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 2ijn_1_B DATA FIRST_RESID 1 DATA SEQUENCE HHSYTWTGAL ITPCAAEESK LPINALSNSL LRHHNMVYAT TSRSAGLRQK DATA SEQUENCE KVTFDRLQVL DDHYRDVLKE MKAKASTVKA KLLSVEEACK LTPPHSAKSK DATA SEQUENCE FGYGAKDVRN LSSKAVNHIH SVWKDLLEDT VTPIDTTIMA KNEVFCVQXX DATA SEQUENCE XXXRKPARLI VFPDLGVRVC EKMALYDVVS TLPQVVMGSS YGFQYSPGQR DATA SEQUENCE VEFLVNTWKS KKNPMGFSYD TRCFDSTVTE NDIRVEESIY QCCDLAPEAR DATA SEQUENCE QAIKSLTERL YIGGPLTNSK GQNCGYRRCR ASGVLTTSCG NTLTCYLKAS DATA SEQUENCE AACRAAKLQD CTMLVNGDDL VVICESAGVQ EDAASLRAFT EAMTRYSAPP DATA SEQUENCE GDPPQPEYDL ELITSCSSNV SVAHDASGKR VYYLTRDPTT PLARAAWETA DATA SEQUENCE RHTPVNSWLG NIIMYAPTLW ARMILMTHFF SILLAQEQLE KALDCQIYGA DATA SEQUENCE CYSIEPLDLP QIIERLHGLS AFSLHSYSPG EINRVASCLR KLGVPPLRVW DATA SEQUENCE RHRARSVRAR LLSQGGRAAT CGKYLFNWAV KTKLKLTPIP AASQLDLSGW DATA SEQUENCE FVAGYSGGDI YHSLSR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 H HA 0.000 nan 4.556 nan 0.000 0.296 1 H C 0.000 175.206 175.328 -0.203 0.000 0.993 1 H CA 0.000 55.917 56.048 -0.219 0.000 1.023 1 H CB 0.000 29.690 29.762 -0.121 0.000 1.292 2 H N 0.467 119.549 119.070 0.019 0.000 2.629 2 H HA 0.126 4.681 4.556 -0.001 0.000 0.357 2 H C 1.270 176.520 175.328 -0.131 0.000 1.121 2 H CA 0.682 56.717 56.048 -0.023 0.000 1.406 2 H CB 1.500 31.255 29.762 -0.013 0.000 1.456 2 H HN 0.541 nan 8.280 nan 0.000 0.579 3 S N 2.074 117.706 115.700 -0.113 0.000 2.399 3 S HA -0.082 4.388 4.470 -0.000 0.000 0.231 3 S C 0.136 174.373 174.600 -0.604 0.000 1.022 3 S CA 0.957 58.920 58.200 -0.395 0.000 0.983 3 S CB -0.049 62.818 63.200 -0.555 0.000 0.803 3 S HN 0.550 nan 8.310 nan 0.000 0.480 4 Y N 0.538 120.713 120.300 -0.208 0.000 2.625 4 Y HA 0.558 5.107 4.550 -0.001 0.000 0.338 4 Y C -0.394 175.195 175.900 -0.518 0.000 1.123 4 Y CA -0.950 56.869 58.100 -0.468 0.000 1.046 4 Y CB 1.940 39.934 38.460 -0.778 0.000 1.299 4 Y HN 0.105 nan 8.280 nan 0.000 0.464 5 T N -2.197 112.052 114.554 -0.508 0.000 2.928 5 T HA 0.621 4.971 4.350 -0.000 0.000 0.296 5 T C -1.432 172.980 174.700 -0.480 0.000 1.000 5 T CA -0.826 61.067 62.100 -0.345 0.000 0.989 5 T CB 0.695 69.510 68.868 -0.089 0.000 1.005 5 T HN 0.519 nan 8.240 nan 0.000 0.442 6 W N 1.320 122.664 121.300 0.074 0.000 2.639 6 W HA 0.535 5.195 4.660 -0.001 0.000 0.347 6 W C 1.441 177.981 176.519 0.035 0.000 1.067 6 W CA -0.739 56.633 57.345 0.046 0.000 1.218 6 W CB 1.793 31.259 29.460 0.010 0.000 1.393 6 W HN 0.845 nan 8.180 nan 0.000 0.557 7 T N -2.797 111.928 114.554 0.286 0.000 3.037 7 T HA 0.359 4.709 4.350 -0.000 0.000 0.252 7 T C 1.361 176.140 174.700 0.132 0.000 1.073 7 T CA 0.751 62.948 62.100 0.162 0.000 1.091 7 T CB 0.126 69.067 68.868 0.123 0.000 0.935 7 T HN 1.180 nan 8.240 nan 0.000 0.488 8 G N 1.323 110.209 108.800 0.143 0.000 2.284 8 G HA2 0.059 4.019 3.960 -0.000 0.000 0.201 8 G HA3 0.059 4.019 3.960 -0.000 0.000 0.201 8 G C 0.366 175.288 174.900 0.037 0.000 0.998 8 G CA -0.187 44.952 45.100 0.066 0.000 0.651 8 G HN 1.078 nan 8.290 nan 0.000 0.489 9 A N 1.366 124.222 122.820 0.060 0.000 2.511 9 A HA 0.611 4.931 4.320 -0.000 0.000 0.242 9 A C 0.871 178.463 177.584 0.013 0.000 1.069 9 A CA 0.220 52.280 52.037 0.038 0.000 0.763 9 A CB 0.112 19.145 19.000 0.054 0.000 1.001 9 A HN 0.833 nan 8.150 nan 0.000 0.498 10 L N 2.082 123.300 121.223 -0.009 0.000 2.453 10 L HA 0.249 4.589 4.340 -0.000 0.000 0.261 10 L C 0.175 177.030 176.870 -0.024 0.000 1.179 10 L CA -0.260 54.558 54.840 -0.037 0.000 0.813 10 L CB 0.554 42.593 42.059 -0.033 0.000 1.110 10 L HN 0.563 nan 8.230 nan 0.000 0.466 11 I N 1.548 122.090 120.570 -0.046 0.000 2.308 11 I HA 0.061 4.231 4.170 -0.000 0.000 0.293 11 I C 0.547 176.660 176.117 -0.007 0.000 1.078 11 I CA -0.156 61.131 61.300 -0.022 0.000 1.292 11 I CB 0.710 38.685 38.000 -0.042 0.000 1.423 11 I HN 0.649 nan 8.210 nan 0.000 0.493 12 T N 5.159 119.717 114.554 0.006 0.000 2.909 12 T HA 0.479 4.829 4.350 -0.000 0.000 0.289 12 T C -2.325 172.390 174.700 0.025 0.000 1.005 12 T CA -1.807 60.301 62.100 0.012 0.000 1.084 12 T CB 1.443 70.318 68.868 0.011 0.000 0.975 12 T HN 0.285 nan 8.240 nan 0.000 0.509 13 P HA 0.235 nan 4.420 nan 0.000 0.279 13 P C 0.938 178.261 177.300 0.038 0.000 1.252 13 P CA -0.815 62.307 63.100 0.038 0.000 0.811 13 P CB 0.853 32.575 31.700 0.037 0.000 1.035 14 C N 0.029 119.356 119.300 0.046 0.000 2.618 14 C HA 0.692 5.151 4.460 -0.000 0.000 0.264 14 C C 0.916 175.926 174.990 0.034 0.000 1.334 14 C CA 0.382 59.424 59.018 0.041 0.000 1.731 14 C CB -1.404 26.368 27.740 0.054 0.000 1.852 14 C HN 0.721 nan 8.230 nan 0.000 0.566 15 A N 0.070 122.913 122.820 0.038 0.000 2.809 15 A HA 0.764 5.084 4.320 -0.000 0.000 0.310 15 A C -0.616 176.995 177.584 0.044 0.000 1.138 15 A CA -0.050 52.010 52.037 0.038 0.000 0.610 15 A CB -0.417 18.607 19.000 0.041 0.000 1.432 15 A HN 1.342 nan 8.150 nan 0.000 0.597 16 A N -0.136 122.714 122.820 0.049 0.000 2.425 16 A HA 0.570 4.889 4.320 -0.000 0.000 0.249 16 A C -0.131 177.498 177.584 0.075 0.000 1.084 16 A CA 0.304 52.375 52.037 0.058 0.000 0.781 16 A CB -0.214 18.820 19.000 0.057 0.000 1.019 16 A HN 0.561 nan 8.150 nan 0.000 0.490 17 E N 1.089 121.338 120.200 0.082 0.000 2.248 17 E HA 0.386 4.735 4.350 -0.000 0.000 0.267 17 E C -1.196 175.488 176.600 0.140 0.000 0.877 17 E CA -0.467 55.996 56.400 0.105 0.000 0.759 17 E CB 2.072 31.823 29.700 0.084 0.000 1.182 17 E HN 0.745 nan 8.360 nan 0.000 0.418 18 E N 0.910 121.239 120.200 0.215 0.000 2.171 18 E HA 0.194 4.543 4.350 -0.000 0.000 0.271 18 E C 0.051 176.888 176.600 0.395 0.000 0.916 18 E CA -0.209 56.361 56.400 0.284 0.000 0.774 18 E CB 1.583 31.481 29.700 0.331 0.000 1.128 18 E HN 0.565 nan 8.360 nan 0.000 0.403 19 S N 2.341 118.238 115.700 0.328 0.000 2.599 19 S HA 0.101 4.571 4.470 -0.000 0.000 0.236 19 S C 0.465 175.324 174.600 0.433 0.000 1.077 19 S CA -0.238 58.174 58.200 0.354 0.000 0.906 19 S CB 0.125 63.467 63.200 0.237 0.000 0.804 19 S HN 0.196 nan 8.310 nan 0.000 0.497 20 K N 2.024 122.596 120.400 0.285 0.000 2.322 20 K HA 0.381 4.700 4.320 -0.000 0.000 0.283 20 K C -0.669 175.966 176.600 0.058 0.000 1.042 20 K CA -0.530 55.871 56.287 0.190 0.000 0.958 20 K CB 0.698 33.254 32.500 0.093 0.000 0.984 20 K HN 0.211 nan 8.250 nan 0.000 0.473 21 L N 5.765 127.026 121.223 0.063 0.000 2.660 21 L HA 0.048 4.388 4.340 -0.000 0.000 0.272 21 L C -2.329 174.296 176.870 -0.408 0.000 1.194 21 L CA -0.914 53.797 54.840 -0.215 0.000 0.945 21 L CB -0.258 41.807 42.059 0.011 0.000 1.212 21 L HN 0.479 nan 8.230 nan 0.000 0.490 22 P HA 0.173 nan 4.420 nan 0.000 0.269 22 P C -0.967 176.104 177.300 -0.381 0.000 1.209 22 P CA 0.075 62.877 63.100 -0.497 0.000 0.776 22 P CB 0.536 31.867 31.700 -0.615 0.000 0.876 23 I N 2.920 123.325 120.570 -0.275 0.000 2.498 23 I HA 0.359 4.529 4.170 -0.000 0.000 0.290 23 I C 0.283 176.300 176.117 -0.167 0.000 1.032 23 I CA -0.691 60.450 61.300 -0.264 0.000 1.073 23 I CB 1.541 39.371 38.000 -0.283 0.000 1.251 23 I HN 0.472 nan 8.210 nan 0.000 0.426 24 N N 4.337 122.954 118.700 -0.138 0.000 3.283 24 N HA 0.463 5.203 4.740 -0.000 0.000 0.338 24 N C 0.421 175.897 175.510 -0.058 0.000 1.517 24 N CA -0.461 52.539 53.050 -0.083 0.000 0.733 24 N CB 0.620 39.064 38.487 -0.072 0.000 1.797 24 N HN 0.381 nan 8.380 nan 0.000 0.637 25 A N -0.662 122.136 122.820 -0.038 0.000 2.172 25 A HA 0.147 4.466 4.320 -0.000 0.000 0.216 25 A C 1.727 179.301 177.584 -0.017 0.000 1.154 25 A CA 0.759 52.782 52.037 -0.023 0.000 0.701 25 A CB -0.907 18.080 19.000 -0.020 0.000 0.789 25 A HN 0.541 nan 8.150 nan 0.000 0.465 26 L N -1.446 119.765 121.223 -0.021 0.000 2.463 26 L HA 0.016 4.355 4.340 -0.000 0.000 0.219 26 L C 2.486 179.386 176.870 0.050 0.000 1.088 26 L CA 0.570 55.413 54.840 0.005 0.000 0.849 26 L CB -0.382 41.658 42.059 -0.031 0.000 1.012 26 L HN 0.204 nan 8.230 nan 0.000 0.468 27 S N 1.021 116.724 115.700 0.004 0.000 2.368 27 S HA -0.210 4.259 4.470 -0.000 0.000 0.226 27 S C 1.711 176.362 174.600 0.086 0.000 1.044 27 S CA 1.915 60.114 58.200 -0.002 0.000 1.062 27 S CB -0.420 62.691 63.200 -0.148 0.000 0.931 27 S HN 0.481 nan 8.310 nan 0.000 0.440 28 N N 1.455 120.220 118.700 0.108 0.000 2.289 28 N HA -0.066 4.674 4.740 -0.000 0.000 0.184 28 N C 1.886 177.433 175.510 0.062 0.000 1.016 28 N CA 1.285 54.413 53.050 0.131 0.000 0.872 28 N CB -0.568 37.980 38.487 0.102 0.000 0.973 28 N HN 0.631 nan 8.380 nan 0.000 0.433 29 S N -0.267 115.464 115.700 0.051 0.000 2.447 29 S HA -0.037 4.432 4.470 -0.000 0.000 0.233 29 S C 1.794 176.416 174.600 0.037 0.000 1.006 29 S CA 0.430 58.637 58.200 0.011 0.000 0.957 29 S CB -0.122 63.101 63.200 0.038 0.000 0.773 29 S HN 0.243 nan 8.310 nan 0.000 0.507 30 L N -0.277 120.990 121.223 0.073 0.000 2.347 30 L HA 0.600 4.940 4.340 -0.000 0.000 0.196 30 L C 0.134 177.060 176.870 0.094 0.000 1.072 30 L CA 0.695 55.576 54.840 0.067 0.000 0.817 30 L CB 0.223 42.061 42.059 -0.369 0.000 1.029 30 L HN 0.462 nan 8.230 nan 0.000 0.478 31 L N -0.852 120.417 121.223 0.076 0.000 2.436 31 L HA 0.466 4.805 4.340 -0.000 0.000 0.268 31 L C 0.451 177.395 176.870 0.123 0.000 0.974 31 L CA -0.612 54.278 54.840 0.084 0.000 0.826 31 L CB 1.523 43.651 42.059 0.114 0.000 1.291 31 L HN -0.036 nan 8.230 nan 0.000 0.406 32 R N 1.084 121.547 120.500 -0.062 0.000 2.142 32 R HA 0.169 4.509 4.340 -0.000 0.000 0.204 32 R C 0.169 176.258 176.300 -0.351 0.000 1.059 32 R CA 0.525 56.503 56.100 -0.204 0.000 1.055 32 R CB 0.010 30.227 30.300 -0.139 0.000 0.976 32 R HN 0.677 nan 8.270 nan 0.000 0.483 33 H N 0.981 119.938 119.070 -0.188 0.000 2.998 33 H HA 0.081 4.636 4.556 -0.001 0.000 0.241 33 H C 0.617 175.933 175.328 -0.021 0.000 1.852 33 H CA -0.241 55.729 56.048 -0.131 0.000 1.419 33 H CB -0.209 29.535 29.762 -0.029 0.000 1.793 33 H HN 0.376 nan 8.280 nan 0.000 0.553 34 H N 0.597 119.762 119.070 0.157 0.000 2.422 34 H HA -0.137 4.419 4.556 -0.000 0.000 0.298 34 H C 1.568 176.973 175.328 0.129 0.000 1.098 34 H CA 0.476 56.594 56.048 0.116 0.000 1.315 34 H CB 0.308 30.113 29.762 0.071 0.000 1.382 34 H HN 0.531 nan 8.280 nan 0.000 0.523 35 N N 0.582 119.402 118.700 0.200 0.000 2.443 35 N HA -0.096 4.644 4.740 -0.000 0.000 0.184 35 N C 1.330 176.944 175.510 0.174 0.000 1.037 35 N CA 0.964 54.106 53.050 0.154 0.000 0.896 35 N CB 0.024 38.559 38.487 0.080 0.000 0.959 35 N HN 0.517 nan 8.380 nan 0.000 0.442 36 M N 0.020 119.738 119.600 0.196 0.000 2.556 36 M HA 0.079 4.559 4.480 -0.000 0.000 0.245 36 M C -0.010 176.464 176.300 0.291 0.000 1.128 36 M CA 0.302 55.731 55.300 0.216 0.000 1.069 36 M CB 0.700 33.413 32.600 0.188 0.000 1.469 36 M HN -0.257 nan 8.290 nan 0.000 0.494 37 V N 1.425 121.517 119.914 0.296 0.000 2.370 37 V HA 0.344 4.464 4.120 -0.000 0.000 0.283 37 V C -0.776 175.558 176.094 0.400 0.000 1.023 37 V CA -0.733 61.747 62.300 0.300 0.000 0.857 37 V CB 0.519 32.499 31.823 0.262 0.000 0.985 37 V HN 0.312 nan 8.190 nan 0.000 0.443 38 Y N 2.918 123.367 120.300 0.249 0.000 2.644 38 Y HA 0.949 5.499 4.550 -0.001 0.000 0.338 38 Y C -0.462 175.529 175.900 0.152 0.000 1.119 38 Y CA -1.539 56.717 58.100 0.260 0.000 1.060 38 Y CB 1.715 40.289 38.460 0.191 0.000 1.294 38 Y HN 0.659 nan 8.280 nan 0.000 0.472 39 A N 1.183 124.104 122.820 0.168 0.000 2.371 39 A HA 0.664 4.984 4.320 -0.000 0.000 0.311 39 A C -0.329 177.333 177.584 0.131 0.000 1.068 39 A CA -0.424 51.505 52.037 -0.180 0.000 0.744 39 A CB 0.661 19.331 19.000 -0.550 0.000 1.239 39 A HN 1.106 nan 8.150 nan 0.000 0.435 40 T N 0.135 114.741 114.554 0.086 0.000 2.918 40 T HA 0.590 4.940 4.350 -0.000 0.000 0.302 40 T C 0.391 175.146 174.700 0.092 0.000 1.045 40 T CA 0.417 62.631 62.100 0.190 0.000 1.114 40 T CB 0.793 69.792 68.868 0.217 0.000 0.965 40 T HN 1.519 nan 8.240 nan 0.000 0.540 41 T N -1.987 112.628 114.554 0.101 0.000 2.838 41 T HA 0.478 4.827 4.350 -0.000 0.000 0.292 41 T C 1.315 176.047 174.700 0.054 0.000 1.113 41 T CA -0.274 61.869 62.100 0.070 0.000 1.008 41 T CB 1.250 70.166 68.868 0.081 0.000 1.259 41 T HN 0.724 nan 8.240 nan 0.000 0.520 42 S N 0.002 115.727 115.700 0.041 0.000 2.500 42 S HA -0.110 4.360 4.470 -0.000 0.000 0.239 42 S C 1.733 176.339 174.600 0.010 0.000 0.989 42 S CA 0.208 58.422 58.200 0.023 0.000 0.951 42 S CB -0.673 62.540 63.200 0.021 0.000 0.759 42 S HN 0.690 nan 8.310 nan 0.000 0.523 43 R N 1.537 122.050 120.500 0.022 0.000 2.200 43 R HA -0.042 4.298 4.340 -0.000 0.000 0.234 43 R C 2.062 178.361 176.300 -0.002 0.000 1.127 43 R CA 1.496 57.603 56.100 0.011 0.000 0.989 43 R CB -0.499 29.816 30.300 0.025 0.000 0.869 43 R HN 0.746 nan 8.270 nan 0.000 0.459 44 S N -1.043 114.660 115.700 0.006 0.000 2.539 44 S HA 0.240 4.709 4.470 -0.000 0.000 0.221 44 S C 1.802 176.383 174.600 -0.031 0.000 0.987 44 S CA 0.177 58.373 58.200 -0.007 0.000 0.929 44 S CB 0.870 64.081 63.200 0.020 0.000 0.832 44 S HN 0.242 nan 8.310 nan 0.000 0.492 45 A N 2.160 124.956 122.820 -0.041 0.000 1.948 45 A HA 0.084 4.404 4.320 -0.000 0.000 0.220 45 A C 2.274 179.764 177.584 -0.157 0.000 1.177 45 A CA 1.767 53.755 52.037 -0.082 0.000 0.636 45 A CB -1.732 17.220 19.000 -0.079 0.000 0.815 45 A HN 0.677 nan 8.150 nan 0.000 0.449 46 G N -0.510 108.199 108.800 -0.152 0.000 2.440 46 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.218 46 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.218 46 G C 1.573 176.364 174.900 -0.182 0.000 1.154 46 G CA 0.985 45.964 45.100 -0.202 0.000 0.767 46 G HN 0.444 nan 8.290 nan 0.000 0.552 47 L N -0.246 120.911 121.223 -0.110 0.000 2.005 47 L HA -0.035 4.304 4.340 -0.000 0.000 0.207 47 L C 3.003 179.831 176.870 -0.071 0.000 1.072 47 L CA 1.626 56.421 54.840 -0.075 0.000 0.744 47 L CB -0.249 41.786 42.059 -0.041 0.000 0.895 47 L HN 0.223 nan 8.230 nan 0.000 0.433 48 R N 0.283 120.743 120.500 -0.067 0.000 2.103 48 R HA -0.231 4.109 4.340 -0.000 0.000 0.242 48 R C 2.189 178.441 176.300 -0.079 0.000 1.142 48 R CA 1.803 57.879 56.100 -0.040 0.000 0.960 48 R CB -0.480 29.805 30.300 -0.024 0.000 0.858 48 R HN 0.458 nan 8.270 nan 0.000 0.439 49 Q N -0.109 119.553 119.800 -0.230 0.000 2.135 49 Q HA -0.199 4.141 4.340 -0.000 0.000 0.204 49 Q C 1.974 177.875 176.000 -0.165 0.000 0.981 49 Q CA 2.108 57.662 55.803 -0.415 0.000 0.856 49 Q CB -0.113 28.028 28.738 -0.994 0.000 0.902 49 Q HN 0.392 nan 8.270 nan 0.000 0.425 50 K N 0.643 120.972 120.400 -0.118 0.000 2.062 50 K HA -0.083 4.237 4.320 -0.000 0.000 0.205 50 K C 1.996 178.663 176.600 0.112 0.000 1.051 50 K CA 0.918 57.210 56.287 0.008 0.000 0.941 50 K CB 0.047 32.535 32.500 -0.019 0.000 0.719 50 K HN 0.068 nan 8.250 nan 0.000 0.440 51 K N 0.761 121.219 120.400 0.097 0.000 2.097 51 K HA -0.099 4.220 4.320 -0.000 0.000 0.206 51 K C 1.925 178.701 176.600 0.294 0.000 1.049 51 K CA 1.569 57.956 56.287 0.167 0.000 0.933 51 K CB -0.082 32.487 32.500 0.115 0.000 0.717 51 K HN 0.124 nan 8.250 nan 0.000 0.442 52 V N -1.168 118.895 119.914 0.249 0.000 3.623 52 V HA 0.054 4.174 4.120 -0.000 0.000 0.271 52 V C 0.229 176.452 176.094 0.215 0.000 1.248 52 V CA 0.202 62.678 62.300 0.294 0.000 1.156 52 V CB -0.244 31.742 31.823 0.271 0.000 0.870 52 V HN -0.032 nan 8.190 nan 0.000 0.453 53 T N 4.390 119.108 114.554 0.273 0.000 2.801 53 T HA 0.727 5.077 4.350 -0.000 0.000 0.306 53 T C -0.770 174.055 174.700 0.209 0.000 1.020 53 T CA -0.060 62.180 62.100 0.234 0.000 0.948 53 T CB 0.304 69.428 68.868 0.428 0.000 0.962 53 T HN 0.624 nan 8.240 nan 0.000 0.465 54 F N -0.205 119.879 119.950 0.223 0.000 2.741 54 F HA 0.635 5.163 4.527 0.001 0.000 0.311 54 F C -1.105 174.857 175.800 0.271 0.000 1.149 54 F CA -1.835 56.282 58.000 0.196 0.000 0.930 54 F CB 0.688 39.775 39.000 0.144 0.000 1.312 54 F HN 0.248 nan 8.300 nan 0.000 0.450 55 D N 0.969 121.724 120.400 0.593 0.000 2.351 55 D HA 0.456 5.096 4.640 -0.000 0.000 0.251 55 D C -0.788 175.724 176.300 0.353 0.000 1.137 55 D CA 0.055 54.304 54.000 0.415 0.000 0.879 55 D CB 0.775 41.758 40.800 0.306 0.000 1.181 55 D HN 0.559 nan 8.370 nan 0.000 0.448 56 R N 2.680 123.313 120.500 0.222 0.000 2.393 56 R HA 0.588 4.927 4.340 -0.000 0.000 0.310 56 R C -0.758 175.542 176.300 0.001 0.000 0.968 56 R CA -0.515 55.681 56.100 0.160 0.000 0.867 56 R CB 1.119 31.494 30.300 0.124 0.000 1.124 56 R HN 0.436 nan 8.270 nan 0.000 0.450 57 L N 1.988 123.198 121.223 -0.023 0.000 2.346 57 L HA 0.537 4.877 4.340 -0.000 0.000 0.274 57 L C -0.512 176.298 176.870 -0.099 0.000 1.007 57 L CA -0.725 54.052 54.840 -0.106 0.000 0.818 57 L CB 2.130 44.149 42.059 -0.066 0.000 1.284 57 L HN 0.495 nan 8.230 nan 0.000 0.424 58 Q N 2.185 121.901 119.800 -0.139 0.000 2.271 58 Q HA 0.556 4.896 4.340 -0.000 0.000 0.268 58 Q C -1.562 174.369 176.000 -0.115 0.000 1.021 58 Q CA -0.643 55.094 55.803 -0.111 0.000 0.802 58 Q CB 2.823 31.488 28.738 -0.122 0.000 1.282 58 Q HN 0.484 nan 8.270 nan 0.000 0.431 59 V N 2.365 122.228 119.914 -0.085 0.000 2.376 59 V HA 0.594 4.713 4.120 -0.000 0.000 0.287 59 V C -0.837 175.226 176.094 -0.050 0.000 1.015 59 V CA -0.773 61.480 62.300 -0.079 0.000 0.834 59 V CB 1.008 32.786 31.823 -0.074 0.000 1.001 59 V HN 0.673 nan 8.190 nan 0.000 0.428 60 L N 5.599 126.750 121.223 -0.120 0.000 2.272 60 L HA 0.628 4.968 4.340 -0.000 0.000 0.289 60 L C 0.056 176.906 176.870 -0.033 0.000 1.032 60 L CA -0.430 54.295 54.840 -0.192 0.000 0.810 60 L CB 1.329 43.096 42.059 -0.487 0.000 1.205 60 L HN 0.876 nan 8.230 nan 0.000 0.422 61 D N 0.641 121.105 120.400 0.107 0.000 2.564 61 D HA 0.128 4.768 4.640 -0.000 0.000 0.273 61 D C 0.331 176.689 176.300 0.098 0.000 1.192 61 D CA -0.599 53.455 54.000 0.091 0.000 1.080 61 D CB 0.735 41.601 40.800 0.110 0.000 1.160 61 D HN 0.273 nan 8.370 nan 0.000 0.607 62 D N -1.138 119.262 120.400 0.001 0.000 2.117 62 D HA -0.154 4.486 4.640 -0.000 0.000 0.197 62 D C 1.826 178.129 176.300 0.004 0.000 0.987 62 D CA 1.176 55.152 54.000 -0.041 0.000 0.829 62 D CB -0.266 40.448 40.800 -0.143 0.000 0.961 62 D HN 0.428 nan 8.370 nan 0.000 0.460 63 H N -0.594 118.543 119.070 0.113 0.000 2.387 63 H HA -0.150 4.405 4.556 -0.000 0.000 0.299 63 H C 2.020 177.392 175.328 0.074 0.000 1.090 63 H CA 0.928 57.034 56.048 0.096 0.000 1.332 63 H CB -0.558 29.282 29.762 0.130 0.000 1.386 63 H HN 0.320 nan 8.280 nan 0.000 0.516 64 Y N 1.928 122.266 120.300 0.063 0.000 2.145 64 Y HA -0.174 4.376 4.550 -0.001 0.000 0.286 64 Y C 2.651 178.503 175.900 -0.081 0.000 1.145 64 Y CA 1.437 59.453 58.100 -0.141 0.000 1.148 64 Y CB -0.098 38.185 38.460 -0.296 0.000 0.981 64 Y HN -0.083 nan 8.280 nan 0.000 0.507 65 R N 0.159 120.771 120.500 0.187 0.000 2.092 65 R HA -0.144 4.196 4.340 -0.000 0.000 0.231 65 R C 1.756 178.048 176.300 -0.013 0.000 1.119 65 R CA 1.437 57.582 56.100 0.075 0.000 0.970 65 R CB -0.285 30.081 30.300 0.109 0.000 0.864 65 R HN 0.456 nan 8.270 nan 0.000 0.440 66 D N 0.069 120.477 120.400 0.013 0.000 2.117 66 D HA -0.110 4.530 4.640 -0.000 0.000 0.198 66 D C 1.953 178.241 176.300 -0.020 0.000 0.982 66 D CA 1.017 55.023 54.000 0.010 0.000 0.828 66 D CB -0.075 40.755 40.800 0.050 0.000 0.967 66 D HN 0.020 nan 8.370 nan 0.000 0.464 67 V N 1.391 121.273 119.914 -0.053 0.000 2.358 67 V HA -0.195 3.925 4.120 -0.000 0.000 0.246 67 V C 2.457 178.485 176.094 -0.109 0.000 1.047 67 V CA 0.932 63.184 62.300 -0.080 0.000 1.035 67 V CB -0.403 31.339 31.823 -0.135 0.000 0.658 67 V HN 0.126 nan 8.190 nan 0.000 0.452 68 L N 0.657 121.752 121.223 -0.213 0.000 2.083 68 L HA -0.178 4.162 4.340 -0.000 0.000 0.209 68 L C 2.355 179.164 176.870 -0.103 0.000 1.083 68 L CA 2.204 56.917 54.840 -0.211 0.000 0.752 68 L CB -0.861 41.007 42.059 -0.318 0.000 0.899 68 L HN 0.274 nan 8.230 nan 0.000 0.433 69 K N -0.543 119.815 120.400 -0.070 0.000 2.097 69 K HA -0.192 4.127 4.320 -0.000 0.000 0.206 69 K C 1.943 178.528 176.600 -0.026 0.000 1.049 69 K CA 1.708 57.973 56.287 -0.037 0.000 0.933 69 K CB -0.076 32.412 32.500 -0.020 0.000 0.717 69 K HN 0.518 nan 8.250 nan 0.000 0.442 70 E N 0.181 120.370 120.200 -0.018 0.000 2.072 70 E HA -0.172 4.178 4.350 -0.000 0.000 0.191 70 E C 2.076 178.675 176.600 -0.003 0.000 0.985 70 E CA 1.473 57.873 56.400 -0.000 0.000 0.801 70 E CB -0.044 29.667 29.700 0.019 0.000 0.750 70 E HN 0.333 nan 8.360 nan 0.000 0.452 71 M N 0.606 120.201 119.600 -0.008 0.000 2.117 71 M HA -0.194 4.286 4.480 -0.000 0.000 0.262 71 M C 2.124 178.398 176.300 -0.044 0.000 1.065 71 M CA 1.538 56.825 55.300 -0.022 0.000 1.114 71 M CB -0.170 32.414 32.600 -0.026 0.000 1.361 71 M HN -0.055 nan 8.290 nan 0.000 0.408 72 K N 0.199 120.573 120.400 -0.045 0.000 2.148 72 K HA -0.066 4.254 4.320 -0.000 0.000 0.204 72 K C 2.093 178.677 176.600 -0.027 0.000 1.050 72 K CA 1.289 57.552 56.287 -0.039 0.000 0.942 72 K CB -0.246 32.232 32.500 -0.038 0.000 0.724 72 K HN 0.300 nan 8.250 nan 0.000 0.446 73 A N 1.926 124.733 122.820 -0.022 0.000 1.902 73 A HA -0.208 4.112 4.320 -0.000 0.000 0.217 73 A C 1.857 179.430 177.584 -0.019 0.000 1.181 73 A CA 1.575 53.603 52.037 -0.015 0.000 0.623 73 A CB -0.237 18.757 19.000 -0.009 0.000 0.818 73 A HN 0.199 nan 8.150 nan 0.000 0.443 74 K N -0.330 120.054 120.400 -0.026 0.000 2.103 74 K HA 0.099 4.419 4.320 -0.000 0.000 0.204 74 K C 2.216 178.791 176.600 -0.041 0.000 1.052 74 K CA 0.912 57.177 56.287 -0.036 0.000 0.945 74 K CB -0.295 32.175 32.500 -0.050 0.000 0.722 74 K HN 0.395 nan 8.250 nan 0.000 0.443 75 A N 1.075 123.869 122.820 -0.043 0.000 2.024 75 A HA -0.147 4.173 4.320 -0.000 0.000 0.220 75 A C 2.003 179.576 177.584 -0.018 0.000 1.164 75 A CA 1.674 53.691 52.037 -0.034 0.000 0.643 75 A CB -0.461 18.522 19.000 -0.029 0.000 0.806 75 A HN 0.160 nan 8.150 nan 0.000 0.451 76 S N -0.585 115.106 115.700 -0.015 0.000 2.515 76 S HA -0.070 4.400 4.470 -0.000 0.000 0.231 76 S C 1.900 176.495 174.600 -0.008 0.000 0.987 76 S CA 1.410 59.605 58.200 -0.007 0.000 0.936 76 S CB -0.354 62.843 63.200 -0.006 0.000 0.766 76 S HN 0.910 nan 8.310 nan 0.000 0.528 77 T N -0.959 113.586 114.554 -0.015 0.000 3.081 77 T HA 0.205 4.555 4.350 -0.000 0.000 0.250 77 T C 0.501 175.191 174.700 -0.017 0.000 1.100 77 T CA -0.105 61.986 62.100 -0.015 0.000 1.038 77 T CB -0.222 68.635 68.868 -0.019 0.000 0.962 77 T HN 0.007 nan 8.240 nan 0.000 0.516 78 V N 2.011 121.913 119.914 -0.019 0.000 2.583 78 V HA 0.402 4.521 4.120 -0.000 0.000 0.287 78 V C 0.090 176.179 176.094 -0.008 0.000 1.051 78 V CA -0.757 61.531 62.300 -0.021 0.000 1.010 78 V CB 1.208 33.013 31.823 -0.030 0.000 0.988 78 V HN 0.390 nan 8.190 nan 0.000 0.478 79 K N 3.573 123.968 120.400 -0.008 0.000 2.413 79 K HA 0.764 5.084 4.320 -0.000 0.000 0.257 79 K C -0.744 175.856 176.600 0.000 0.000 0.946 79 K CA -0.439 55.849 56.287 0.001 0.000 0.823 79 K CB 1.604 34.105 32.500 0.002 0.000 1.109 79 K HN 0.828 nan 8.250 nan 0.000 0.427 80 A N 4.012 126.837 122.820 0.009 0.000 2.374 80 A HA 0.506 4.826 4.320 -0.000 0.000 0.317 80 A C -1.154 176.445 177.584 0.025 0.000 1.094 80 A CA -0.930 51.114 52.037 0.010 0.000 0.765 80 A CB 0.931 19.933 19.000 0.004 0.000 1.268 80 A HN 0.840 nan 8.150 nan 0.000 0.438 81 K N 1.196 121.612 120.400 0.028 0.000 2.123 81 K HA 0.706 5.026 4.320 -0.000 0.000 0.248 81 K C -1.110 175.515 176.600 0.042 0.000 0.969 81 K CA -0.745 55.562 56.287 0.032 0.000 0.882 81 K CB 1.266 33.781 32.500 0.025 0.000 1.080 81 K HN 0.368 nan 8.250 nan 0.000 0.441 82 L N 2.828 124.071 121.223 0.034 0.000 2.290 82 L HA 0.229 4.569 4.340 -0.000 0.000 0.284 82 L C -0.829 176.023 176.870 -0.030 0.000 1.078 82 L CA -0.571 54.281 54.840 0.021 0.000 0.815 82 L CB 0.665 42.742 42.059 0.030 0.000 1.162 82 L HN 0.623 nan 8.230 nan 0.000 0.435 83 L N 3.786 124.978 121.223 -0.051 0.000 2.417 83 L HA 0.358 4.698 4.340 -0.000 0.000 0.268 83 L C 0.549 177.312 176.870 -0.178 0.000 1.158 83 L CA 0.496 55.286 54.840 -0.083 0.000 0.819 83 L CB 1.233 43.251 42.059 -0.068 0.000 1.112 83 L HN 0.859 nan 8.230 nan 0.000 0.458 84 S N 1.843 117.451 115.700 -0.154 0.000 2.617 84 S HA 0.249 4.718 4.470 -0.000 0.000 0.269 84 S C 1.277 175.741 174.600 -0.227 0.000 1.292 84 S CA -0.669 57.420 58.200 -0.185 0.000 1.010 84 S CB 1.062 64.193 63.200 -0.116 0.000 0.944 84 S HN 0.361 nan 8.310 nan 0.000 0.536 85 V N 1.581 121.331 119.914 -0.273 0.000 2.282 85 V HA -0.208 3.911 4.120 -0.000 0.000 0.249 85 V C 2.803 178.782 176.094 -0.192 0.000 1.057 85 V CA 2.483 64.603 62.300 -0.300 0.000 1.032 85 V CB -1.268 30.308 31.823 -0.411 0.000 0.645 85 V HN 1.075 nan 8.190 nan 0.000 0.447 86 E N 0.061 120.178 120.200 -0.137 0.000 2.077 86 E HA -0.272 4.078 4.350 -0.000 0.000 0.193 86 E C 2.144 178.681 176.600 -0.105 0.000 0.989 86 E CA 1.711 58.051 56.400 -0.100 0.000 0.800 86 E CB -0.102 29.556 29.700 -0.069 0.000 0.746 86 E HN 0.744 nan 8.360 nan 0.000 0.452 87 E N 0.218 120.348 120.200 -0.116 0.000 2.051 87 E HA -0.180 4.170 4.350 -0.000 0.000 0.192 87 E C 2.100 178.601 176.600 -0.165 0.000 0.991 87 E CA 0.936 57.262 56.400 -0.124 0.000 0.799 87 E CB -0.162 29.470 29.700 -0.114 0.000 0.748 87 E HN 0.374 nan 8.360 nan 0.000 0.449 88 A N 0.892 123.607 122.820 -0.176 0.000 1.933 88 A HA -0.199 4.120 4.320 -0.000 0.000 0.218 88 A C 2.433 179.927 177.584 -0.149 0.000 1.175 88 A CA 1.209 53.134 52.037 -0.186 0.000 0.628 88 A CB -0.897 18.005 19.000 -0.165 0.000 0.814 88 A HN 0.363 nan 8.150 nan 0.000 0.444 89 C N -0.046 119.181 119.300 -0.121 0.000 2.413 89 C HA -0.078 4.382 4.460 -0.000 0.000 0.276 89 C C 2.515 177.456 174.990 -0.080 0.000 1.248 89 C CA 1.272 60.239 59.018 -0.086 0.000 1.742 89 C CB -0.749 26.944 27.740 -0.078 0.000 2.017 89 C HN 0.517 nan 8.230 nan 0.000 0.481 90 K N 1.038 121.387 120.400 -0.085 0.000 2.362 90 K HA 0.058 4.377 4.320 -0.000 0.000 0.200 90 K C 1.443 178.016 176.600 -0.045 0.000 1.046 90 K CA 0.815 57.069 56.287 -0.056 0.000 0.952 90 K CB -0.491 31.978 32.500 -0.051 0.000 0.753 90 K HN 0.549 nan 8.250 nan 0.000 0.466 91 L N 1.043 122.196 121.223 -0.118 0.000 2.558 91 L HA 0.023 4.362 4.340 -0.000 0.000 0.225 91 L C 0.282 177.093 176.870 -0.098 0.000 1.128 91 L CA 0.140 54.887 54.840 -0.155 0.000 0.868 91 L CB -0.228 41.615 42.059 -0.360 0.000 1.006 91 L HN -0.076 nan 8.230 nan 0.000 0.454 92 T N 1.570 116.076 114.554 -0.080 0.000 2.794 92 T HA 0.199 4.549 4.350 -0.000 0.000 0.296 92 T C -2.311 172.310 174.700 -0.133 0.000 0.949 92 T CA -1.111 60.940 62.100 -0.083 0.000 1.101 92 T CB 0.983 69.813 68.868 -0.064 0.000 0.905 92 T HN -0.149 nan 8.240 nan 0.000 0.516 93 P HA 0.128 nan 4.420 nan 0.000 0.267 93 P C -1.842 175.289 177.300 -0.283 0.000 1.205 93 P CA -1.266 61.679 63.100 -0.260 0.000 0.765 93 P CB 0.275 31.906 31.700 -0.116 0.000 0.828 94 P HA -0.184 nan 4.420 nan 0.000 0.217 94 P C 0.408 177.664 177.300 -0.074 0.000 1.148 94 P CA 1.720 64.691 63.100 -0.216 0.000 0.834 94 P CB -0.078 31.501 31.700 -0.201 0.000 0.783 95 H N -2.432 116.530 119.070 -0.179 0.000 2.486 95 H HA 0.294 4.850 4.556 -0.000 0.000 0.284 95 H C 0.391 175.650 175.328 -0.115 0.000 1.103 95 H CA -0.432 55.545 56.048 -0.120 0.000 1.089 95 H CB -0.399 29.306 29.762 -0.094 0.000 1.603 95 H HN -0.035 nan 8.280 nan 0.000 0.557 96 S N 0.811 116.476 115.700 -0.058 0.000 2.573 96 S HA 0.349 4.819 4.470 -0.000 0.000 0.277 96 S C 0.731 175.277 174.600 -0.090 0.000 1.346 96 S CA -0.364 57.784 58.200 -0.086 0.000 1.034 96 S CB 0.249 63.397 63.200 -0.085 0.000 0.879 96 S HN 0.534 nan 8.310 nan 0.000 0.528 97 A N 4.161 126.913 122.820 -0.112 0.000 2.567 97 A HA 0.210 4.529 4.320 -0.000 0.000 0.240 97 A C 0.564 178.117 177.584 -0.050 0.000 1.053 97 A CA 0.053 52.048 52.037 -0.069 0.000 0.755 97 A CB -0.290 18.678 19.000 -0.053 0.000 0.978 97 A HN 0.873 nan 8.150 nan 0.000 0.507 98 K N 2.383 122.742 120.400 -0.068 0.000 2.319 98 K HA 0.354 4.674 4.320 -0.000 0.000 0.265 98 K C 0.404 176.903 176.600 -0.169 0.000 1.000 98 K CA 0.062 56.274 56.287 -0.126 0.000 0.943 98 K CB 0.510 32.935 32.500 -0.125 0.000 0.950 98 K HN 0.462 nan 8.250 nan 0.000 0.485 99 S N 0.500 115.986 115.700 -0.356 0.000 2.600 99 S HA 0.058 4.528 4.470 -0.000 0.000 0.265 99 S C 0.273 174.652 174.600 -0.369 0.000 1.325 99 S CA -0.491 57.451 58.200 -0.430 0.000 1.002 99 S CB 0.480 63.041 63.200 -1.065 0.000 0.921 99 S HN 0.682 nan 8.310 nan 0.000 0.554 100 K N 1.512 121.662 120.400 -0.416 0.000 2.387 100 K HA 0.195 4.515 4.320 -0.000 0.000 0.198 100 K C -0.526 175.582 176.600 -0.820 0.000 1.022 100 K CA 0.229 56.174 56.287 -0.569 0.000 1.128 100 K CB 0.151 32.276 32.500 -0.624 0.000 0.853 100 K HN 0.509 nan 8.250 nan 0.000 0.523 101 F N 0.375 120.165 119.950 -0.266 0.000 2.791 101 F HA 0.284 4.811 4.527 -0.000 0.000 0.308 101 F C 0.964 176.709 175.800 -0.091 0.000 1.138 101 F CA -0.706 57.158 58.000 -0.225 0.000 1.294 101 F CB 1.146 39.854 39.000 -0.487 0.000 0.975 101 F HN 0.097 nan 8.300 nan 0.000 0.512 102 G N 0.672 109.468 108.800 -0.007 0.000 2.140 102 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.211 102 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.211 102 G C -0.449 174.579 174.900 0.213 0.000 1.013 102 G CA 0.019 45.172 45.100 0.089 0.000 0.705 102 G HN 0.602 nan 8.290 nan 0.000 0.508 103 Y N -3.072 117.213 120.300 -0.024 0.000 2.662 103 Y HA 0.685 5.235 4.550 -0.000 0.000 0.334 103 Y C 0.239 176.128 175.900 -0.019 0.000 1.185 103 Y CA -0.916 57.174 58.100 -0.016 0.000 1.074 103 Y CB 0.397 38.857 38.460 0.000 0.000 1.330 103 Y HN 0.801 nan 8.280 nan 0.000 0.458 104 G N -0.027 108.818 108.800 0.075 0.000 3.013 104 G HA2 0.559 4.519 3.960 -0.000 0.000 0.278 104 G HA3 0.559 4.519 3.960 -0.000 0.000 0.278 104 G C 0.297 175.223 174.900 0.043 0.000 1.353 104 G CA -0.789 44.294 45.100 -0.028 0.000 1.043 104 G HN 1.285 nan 8.290 nan 0.000 0.523 105 A N -0.351 122.449 122.820 -0.034 0.000 1.940 105 A HA -0.031 4.289 4.320 -0.000 0.000 0.219 105 A C 2.285 179.846 177.584 -0.039 0.000 1.176 105 A CA 1.773 53.790 52.037 -0.034 0.000 0.631 105 A CB -0.318 18.626 19.000 -0.093 0.000 0.814 105 A HN 0.403 nan 8.150 nan 0.000 0.446 106 K N 0.246 120.608 120.400 -0.062 0.000 2.097 106 K HA -0.114 4.205 4.320 -0.000 0.000 0.205 106 K C 1.413 178.002 176.600 -0.018 0.000 1.050 106 K CA 1.367 57.618 56.287 -0.059 0.000 0.938 106 K CB -0.511 31.943 32.500 -0.076 0.000 0.718 106 K HN 0.544 nan 8.250 nan 0.000 0.442 107 D N 0.554 120.970 120.400 0.027 0.000 2.144 107 D HA -0.107 4.533 4.640 -0.000 0.000 0.200 107 D C 2.048 178.362 176.300 0.024 0.000 0.978 107 D CA 0.746 54.772 54.000 0.042 0.000 0.833 107 D CB -0.013 40.856 40.800 0.115 0.000 0.961 107 D HN -0.102 nan 8.370 nan 0.000 0.470 108 V N 1.438 121.392 119.914 0.066 0.000 2.261 108 V HA -0.226 3.893 4.120 -0.000 0.000 0.246 108 V C 2.505 178.588 176.094 -0.018 0.000 1.047 108 V CA 1.554 63.874 62.300 0.034 0.000 1.015 108 V CB -0.349 31.528 31.823 0.091 0.000 0.642 108 V HN 0.123 nan 8.190 nan 0.000 0.446 109 R N 0.131 120.613 120.500 -0.029 0.000 2.120 109 R HA -0.126 4.213 4.340 -0.000 0.000 0.234 109 R C 1.712 177.989 176.300 -0.038 0.000 1.123 109 R CA 1.632 57.703 56.100 -0.048 0.000 0.975 109 R CB -0.430 29.826 30.300 -0.074 0.000 0.866 109 R HN 0.634 nan 8.270 nan 0.000 0.446 110 N N 0.719 119.400 118.700 -0.032 0.000 2.398 110 N HA 0.100 4.840 4.740 -0.000 0.000 0.188 110 N C -0.205 175.286 175.510 -0.031 0.000 1.122 110 N CA -0.106 52.928 53.050 -0.028 0.000 0.866 110 N CB 0.306 38.780 38.487 -0.023 0.000 0.970 110 N HN 0.060 nan 8.380 nan 0.000 0.462 111 L N 0.479 121.679 121.223 -0.038 0.000 4.001 111 L HA -0.235 4.105 4.340 -0.000 0.000 0.413 111 L C 0.291 177.132 176.870 -0.047 0.000 1.185 111 L CA -0.253 54.559 54.840 -0.046 0.000 0.963 111 L CB -2.416 39.620 42.059 -0.038 0.000 1.976 111 L HN 0.131 nan 8.230 nan 0.000 0.939 112 S N 0.383 116.052 115.700 -0.051 0.000 2.573 112 S HA 0.104 4.574 4.470 -0.000 0.000 0.297 112 S C 1.623 176.179 174.600 -0.073 0.000 1.280 112 S CA 0.346 58.514 58.200 -0.053 0.000 1.061 112 S CB 1.150 64.321 63.200 -0.047 0.000 0.812 112 S HN 0.513 nan 8.310 nan 0.000 0.500 113 S N 4.831 120.500 115.700 -0.051 0.000 2.383 113 S HA -0.206 4.264 4.470 -0.000 0.000 0.229 113 S C 1.768 176.328 174.600 -0.067 0.000 1.030 113 S CA 1.405 59.578 58.200 -0.044 0.000 1.002 113 S CB -0.448 62.736 63.200 -0.027 0.000 0.829 113 S HN 0.847 nan 8.310 nan 0.000 0.467 114 K N 1.764 122.113 120.400 -0.085 0.000 2.026 114 K HA -0.019 4.301 4.320 -0.000 0.000 0.208 114 K C 2.392 178.819 176.600 -0.288 0.000 1.048 114 K CA 1.193 57.414 56.287 -0.110 0.000 0.929 114 K CB -0.643 31.820 32.500 -0.060 0.000 0.713 114 K HN 0.425 nan 8.250 nan 0.000 0.439 115 A N 0.567 123.104 122.820 -0.471 0.000 1.858 115 A HA -0.116 4.204 4.320 -0.000 0.000 0.216 115 A C 2.260 179.596 177.584 -0.413 0.000 1.190 115 A CA 1.732 53.228 52.037 -0.902 0.000 0.617 115 A CB -0.790 17.849 19.000 -0.600 0.000 0.827 115 A HN 0.174 nan 8.150 nan 0.000 0.443 116 V N 1.208 120.999 119.914 -0.205 0.000 2.332 116 V HA -0.283 3.837 4.120 -0.000 0.000 0.248 116 V C 2.266 178.372 176.094 0.020 0.000 1.055 116 V CA 2.205 64.451 62.300 -0.091 0.000 1.038 116 V CB -1.017 30.792 31.823 -0.023 0.000 0.651 116 V HN 0.560 nan 8.190 nan 0.000 0.450 117 N N -0.744 117.970 118.700 0.023 0.000 2.188 117 N HA -0.163 4.577 4.740 -0.000 0.000 0.184 117 N C 1.861 177.408 175.510 0.061 0.000 1.018 117 N CA 1.398 54.493 53.050 0.076 0.000 0.858 117 N CB -0.551 37.954 38.487 0.030 0.000 0.989 117 N HN 0.655 nan 8.380 nan 0.000 0.426 118 H N 0.833 119.853 119.070 -0.083 0.000 2.389 118 H HA 0.074 4.630 4.556 -0.000 0.000 0.299 118 H C 1.994 177.308 175.328 -0.024 0.000 1.081 118 H CA 0.841 56.855 56.048 -0.057 0.000 1.345 118 H CB 0.091 29.832 29.762 -0.034 0.000 1.393 118 H HN 0.121 nan 8.280 nan 0.000 0.520 119 I N 0.212 120.707 120.570 -0.125 0.000 2.226 119 I HA -0.285 3.885 4.170 -0.000 0.000 0.245 119 I C 2.282 178.320 176.117 -0.132 0.000 1.100 119 I CA 1.401 62.615 61.300 -0.144 0.000 1.374 119 I CB -0.403 37.510 38.000 -0.145 0.000 1.057 119 I HN 0.309 nan 8.210 nan 0.000 0.413 120 H N -0.866 118.169 119.070 -0.059 0.000 2.421 120 H HA -0.153 4.403 4.556 -0.000 0.000 0.298 120 H C 2.524 177.858 175.328 0.011 0.000 1.087 120 H CA 1.678 57.725 56.048 -0.000 0.000 1.330 120 H CB 0.080 29.828 29.762 -0.024 0.000 1.388 120 H HN 0.179 nan 8.280 nan 0.000 0.526 121 S N -0.477 115.237 115.700 0.024 0.000 2.383 121 S HA -0.108 4.362 4.470 -0.000 0.000 0.227 121 S C 2.196 176.723 174.600 -0.122 0.000 1.026 121 S CA 0.995 59.158 58.200 -0.062 0.000 0.981 121 S CB -0.288 62.833 63.200 -0.133 0.000 0.818 121 S HN 0.197 nan 8.310 nan 0.000 0.472 122 V N 1.125 120.914 119.914 -0.208 0.000 2.379 122 V HA -0.099 4.021 4.120 -0.000 0.000 0.245 122 V C 2.033 178.118 176.094 -0.016 0.000 1.044 122 V CA 1.606 63.806 62.300 -0.167 0.000 1.036 122 V CB -0.833 30.873 31.823 -0.195 0.000 0.664 122 V HN 0.714 nan 8.190 nan 0.000 0.453 123 W N 1.567 122.795 121.300 -0.120 0.000 2.338 123 W HA -0.236 4.424 4.660 -0.001 0.000 0.304 123 W C 2.483 178.974 176.519 -0.046 0.000 1.212 123 W CA 2.344 59.646 57.345 -0.072 0.000 1.264 123 W CB -0.097 29.324 29.460 -0.065 0.000 1.142 123 W HN 0.248 nan 8.180 nan 0.000 0.512 124 K N 0.589 121.038 120.400 0.081 0.000 2.057 124 K HA -0.265 4.055 4.320 -0.000 0.000 0.207 124 K C 1.737 178.274 176.600 -0.104 0.000 1.049 124 K CA 2.225 58.506 56.287 -0.010 0.000 0.931 124 K CB -0.589 31.940 32.500 0.048 0.000 0.714 124 K HN 0.016 nan 8.250 nan 0.000 0.440 125 D N 0.325 120.666 120.400 -0.097 0.000 2.144 125 D HA -0.140 4.499 4.640 -0.000 0.000 0.199 125 D C 1.973 178.181 176.300 -0.153 0.000 0.984 125 D CA 0.941 54.877 54.000 -0.107 0.000 0.834 125 D CB 0.052 40.795 40.800 -0.095 0.000 0.955 125 D HN 0.218 nan 8.370 nan 0.000 0.465 126 L N -0.082 121.009 121.223 -0.219 0.000 2.083 126 L HA -0.135 4.204 4.340 -0.000 0.000 0.209 126 L C 2.409 179.092 176.870 -0.312 0.000 1.083 126 L CA 0.669 55.340 54.840 -0.282 0.000 0.752 126 L CB -0.310 41.509 42.059 -0.401 0.000 0.899 126 L HN 0.235 nan 8.230 nan 0.000 0.433 127 L N -0.853 120.151 121.223 -0.363 0.000 2.156 127 L HA -0.144 4.196 4.340 -0.000 0.000 0.208 127 L C 2.166 178.938 176.870 -0.164 0.000 1.095 127 L CA 1.121 55.787 54.840 -0.289 0.000 0.770 127 L CB -0.344 41.544 42.059 -0.286 0.000 0.914 127 L HN 0.290 nan 8.230 nan 0.000 0.439 128 E N -1.111 119.010 120.200 -0.132 0.000 2.400 128 E HA -0.035 4.315 4.350 -0.000 0.000 0.195 128 E C 0.165 176.720 176.600 -0.076 0.000 1.012 128 E CA 0.115 56.464 56.400 -0.085 0.000 0.875 128 E CB 0.375 30.036 29.700 -0.065 0.000 0.859 128 E HN 0.176 nan 8.360 nan 0.000 0.498 129 D N 0.552 120.898 120.400 -0.090 0.000 2.505 129 D HA 0.048 4.687 4.640 -0.000 0.000 0.250 129 D C -0.224 176.026 176.300 -0.083 0.000 1.164 129 D CA -0.313 53.644 54.000 -0.072 0.000 0.870 129 D CB 1.471 42.233 40.800 -0.062 0.000 1.160 129 D HN -0.026 nan 8.370 nan 0.000 0.549 130 T N 0.510 115.023 114.554 -0.068 0.000 3.228 130 T HA 0.268 4.618 4.350 -0.000 0.000 0.278 130 T C 0.814 175.486 174.700 -0.047 0.000 1.014 130 T CA -0.151 61.908 62.100 -0.068 0.000 0.904 130 T CB 0.122 68.953 68.868 -0.062 0.000 1.110 130 T HN 0.121 nan 8.240 nan 0.000 0.541 131 V N -0.030 119.860 119.914 -0.039 0.000 3.350 131 V HA 0.212 4.332 4.120 -0.000 0.000 0.246 131 V C 0.921 177.007 176.094 -0.014 0.000 1.363 131 V CA 0.200 62.486 62.300 -0.023 0.000 1.162 131 V CB 0.375 32.187 31.823 -0.019 0.000 0.947 131 V HN 0.490 nan 8.190 nan 0.000 0.454 132 T N 4.122 118.665 114.554 -0.018 0.000 2.751 132 T HA 0.215 4.565 4.350 -0.000 0.000 0.290 132 T C -2.455 172.245 174.700 0.001 0.000 0.919 132 T CA -0.646 61.451 62.100 -0.004 0.000 1.136 132 T CB 0.697 69.561 68.868 -0.007 0.000 0.875 132 T HN 0.158 nan 8.240 nan 0.000 0.532 133 P HA 0.095 nan 4.420 nan 0.000 0.264 133 P C -0.173 177.136 177.300 0.015 0.000 1.183 133 P CA 0.039 63.161 63.100 0.037 0.000 0.763 133 P CB 0.323 32.093 31.700 0.117 0.000 0.807 134 I N 2.529 123.091 120.570 -0.013 0.000 2.396 134 I HA 0.141 4.311 4.170 -0.000 0.000 0.292 134 I C 0.958 177.070 176.117 -0.008 0.000 0.999 134 I CA -0.464 60.832 61.300 -0.007 0.000 1.310 134 I CB 0.856 38.840 38.000 -0.026 0.000 1.404 134 I HN 0.331 nan 8.210 nan 0.000 0.496 135 D N 4.365 124.774 120.400 0.016 0.000 2.382 135 D HA 0.203 4.843 4.640 -0.000 0.000 0.240 135 D C -0.304 175.971 176.300 -0.041 0.000 1.146 135 D CA 0.330 54.327 54.000 -0.005 0.000 0.897 135 D CB 0.832 41.643 40.800 0.018 0.000 1.197 135 D HN 0.648 nan 8.370 nan 0.000 0.432 136 T N -0.978 113.522 114.554 -0.090 0.000 2.900 136 T HA 0.571 4.921 4.350 -0.000 0.000 0.303 136 T C -0.538 174.012 174.700 -0.250 0.000 1.142 136 T CA -0.970 61.031 62.100 -0.165 0.000 1.007 136 T CB 1.526 70.320 68.868 -0.124 0.000 1.156 136 T HN 0.210 nan 8.240 nan 0.000 0.490 137 T N 2.427 116.674 114.554 -0.512 0.000 2.829 137 T HA 0.598 4.948 4.350 -0.000 0.000 0.282 137 T C -0.414 174.012 174.700 -0.456 0.000 0.990 137 T CA -0.606 61.166 62.100 -0.547 0.000 1.028 137 T CB 0.739 69.097 68.868 -0.849 0.000 0.951 137 T HN 0.729 nan 8.240 nan 0.000 0.460 138 I N 4.321 124.795 120.570 -0.161 0.000 2.378 138 I HA 0.520 4.689 4.170 -0.000 0.000 0.291 138 I C -0.976 175.175 176.117 0.056 0.000 0.992 138 I CA -0.771 60.526 61.300 -0.005 0.000 1.154 138 I CB 0.645 38.684 38.000 0.065 0.000 1.315 138 I HN 0.413 nan 8.210 nan 0.000 0.448 139 M N 6.215 125.902 119.600 0.145 0.000 2.619 139 M HA 0.531 5.011 4.480 -0.000 0.000 0.297 139 M C -0.626 175.744 176.300 0.116 0.000 1.229 139 M CA -0.634 54.755 55.300 0.149 0.000 0.860 139 M CB 1.865 34.610 32.600 0.242 0.000 1.741 139 M HN 0.581 nan 8.290 nan 0.000 0.462 140 A N 1.891 124.758 122.820 0.079 0.000 2.301 140 A HA 0.556 4.876 4.320 -0.000 0.000 0.298 140 A C -0.180 177.441 177.584 0.061 0.000 1.185 140 A CA -0.547 51.526 52.037 0.061 0.000 0.830 140 A CB 0.380 19.403 19.000 0.039 0.000 1.112 140 A HN 0.768 nan 8.150 nan 0.000 0.508 141 K N 1.619 122.055 120.400 0.060 0.000 2.202 141 K HA 0.155 4.474 4.320 -0.000 0.000 0.264 141 K C -0.563 176.039 176.600 0.004 0.000 1.010 141 K CA 0.050 56.357 56.287 0.033 0.000 0.940 141 K CB 0.655 33.180 32.500 0.041 0.000 0.983 141 K HN 0.768 nan 8.250 nan 0.000 0.475 142 N N 2.382 121.053 118.700 -0.050 0.000 2.609 142 N HA 0.093 4.833 4.740 -0.000 0.000 0.234 142 N C -1.315 174.050 175.510 -0.242 0.000 1.001 142 N CA -0.306 52.675 53.050 -0.116 0.000 0.926 142 N CB 0.925 39.347 38.487 -0.107 0.000 1.130 142 N HN 0.386 nan 8.380 nan 0.000 0.510 143 E N 1.011 121.042 120.200 -0.281 0.000 2.212 143 E HA 0.392 4.741 4.350 -0.000 0.000 0.268 143 E C -0.712 175.391 176.600 -0.827 0.000 0.902 143 E CA -0.948 55.136 56.400 -0.527 0.000 0.779 143 E CB 2.582 32.012 29.700 -0.450 0.000 1.172 143 E HN 0.082 nan 8.360 nan 0.000 0.409 144 V N 3.448 122.771 119.914 -0.985 0.000 2.465 144 V HA 0.422 4.542 4.120 -0.000 0.000 0.279 144 V C -0.626 174.833 176.094 -1.059 0.000 1.045 144 V CA -0.151 61.607 62.300 -0.904 0.000 0.938 144 V CB -0.039 31.396 31.823 -0.647 0.000 0.986 144 V HN 0.515 nan 8.190 nan 0.000 0.467 145 F N 2.136 121.735 119.950 -0.584 0.000 2.726 145 F HA 0.645 5.172 4.527 0.000 0.000 0.324 145 F C 0.034 175.643 175.800 -0.319 0.000 1.140 145 F CA -0.889 56.843 58.000 -0.445 0.000 0.964 145 F CB 1.337 40.063 39.000 -0.456 0.000 1.399 145 F HN 0.543 nan 8.300 nan 0.000 0.491 146 C N 2.619 122.025 119.300 0.177 0.000 2.382 146 C HA 0.807 5.266 4.460 -0.000 0.000 0.327 146 C C -0.042 175.154 174.990 0.343 0.000 1.250 146 C CA -0.742 58.410 59.018 0.223 0.000 1.707 146 C CB 0.027 27.852 27.740 0.141 0.000 2.272 146 C HN 0.747 nan 8.230 nan 0.000 0.506 147 V N 4.753 124.894 119.914 0.379 0.000 2.928 147 V HA 0.320 4.440 4.120 -0.000 0.000 0.307 147 V C 0.067 176.250 176.094 0.148 0.000 1.105 147 V CA 0.586 63.046 62.300 0.268 0.000 1.223 147 V CB -0.206 31.704 31.823 0.145 0.000 0.930 147 V HN 1.391 nan 8.190 nan 0.000 0.499 155 K N 2.823 123.271 120.400 0.080 0.000 2.143 155 K HA 0.507 4.826 4.320 -0.000 0.000 0.272 155 K C -2.200 174.454 176.600 0.090 0.000 1.001 155 K CA -1.580 54.724 56.287 0.028 0.000 0.915 155 K CB 1.308 33.750 32.500 -0.096 0.000 1.047 155 K HN 0.128 nan 8.250 nan 0.000 0.458 156 P HA -0.008 nan 4.420 nan 0.000 0.272 156 P C -0.530 176.828 177.300 0.097 0.000 1.230 156 P CA -0.327 62.809 63.100 0.060 0.000 0.788 156 P CB 0.705 32.418 31.700 0.021 0.000 0.949 157 A N 3.419 126.301 122.820 0.102 0.000 2.483 157 A HA 0.134 4.454 4.320 -0.000 0.000 0.238 157 A C 0.692 178.332 177.584 0.093 0.000 1.070 157 A CA -0.104 52.002 52.037 0.116 0.000 0.770 157 A CB -0.184 18.867 19.000 0.086 0.000 1.008 157 A HN 0.487 nan 8.150 nan 0.000 0.497 158 R N 0.438 121.008 120.500 0.115 0.000 2.528 158 R HA 0.531 4.871 4.340 -0.000 0.000 0.271 158 R C -0.635 175.721 176.300 0.095 0.000 1.056 158 R CA -0.472 55.692 56.100 0.108 0.000 1.117 158 R CB 0.580 30.958 30.300 0.131 0.000 1.085 158 R HN 0.663 nan 8.270 nan 0.000 0.530 159 L N 1.988 123.272 121.223 0.101 0.000 2.344 159 L HA 0.536 4.876 4.340 -0.000 0.000 0.272 159 L C -0.393 176.565 176.870 0.147 0.000 1.035 159 L CA -1.027 53.877 54.840 0.107 0.000 0.807 159 L CB 1.340 43.451 42.059 0.088 0.000 1.237 159 L HN 0.457 nan 8.230 nan 0.000 0.442 160 I N 2.093 122.768 120.570 0.175 0.000 2.499 160 I HA 0.453 4.623 4.170 -0.000 0.000 0.288 160 I C -0.972 175.334 176.117 0.316 0.000 1.048 160 I CA -0.317 61.123 61.300 0.234 0.000 1.062 160 I CB 1.890 40.016 38.000 0.211 0.000 1.238 160 I HN 0.172 nan 8.210 nan 0.000 0.426 161 V N 8.901 128.996 119.914 0.302 0.000 2.409 161 V HA 0.622 4.742 4.120 -0.000 0.000 0.291 161 V C -0.717 175.558 176.094 0.302 0.000 1.020 161 V CA -0.472 61.959 62.300 0.219 0.000 0.848 161 V CB 1.039 32.959 31.823 0.162 0.000 0.990 161 V HN 0.595 nan 8.190 nan 0.000 0.430 162 F N 4.821 124.815 119.950 0.075 0.000 2.613 162 F HA 0.946 5.473 4.527 -0.001 0.000 0.310 162 F C -3.089 172.750 175.800 0.066 0.000 1.085 162 F CA -2.885 55.160 58.000 0.075 0.000 0.945 162 F CB 1.700 40.738 39.000 0.064 0.000 1.298 162 F HN 0.286 nan 8.300 nan 0.000 0.455 163 P HA 0.188 nan 4.420 nan 0.000 0.280 163 P C -1.022 176.390 177.300 0.185 0.000 1.272 163 P CA -0.161 62.999 63.100 0.101 0.000 0.819 163 P CB 1.391 33.161 31.700 0.118 0.000 1.122 164 D N -0.391 120.100 120.400 0.153 0.000 2.390 164 D HA -0.093 4.547 4.640 -0.000 0.000 0.236 164 D C 1.390 177.820 176.300 0.217 0.000 1.189 164 D CA -0.256 53.862 54.000 0.196 0.000 0.887 164 D CB 0.296 41.265 40.800 0.282 0.000 1.198 164 D HN 0.112 nan 8.370 nan 0.000 0.444 165 L N 3.240 124.565 121.223 0.169 0.000 2.051 165 L HA -0.037 4.302 4.340 -0.000 0.000 0.214 165 L C 2.051 179.054 176.870 0.222 0.000 1.076 165 L CA 2.635 57.561 54.840 0.143 0.000 0.758 165 L CB -1.145 40.927 42.059 0.022 0.000 0.890 165 L HN 0.671 nan 8.230 nan 0.000 0.433 166 G N -1.391 107.610 108.800 0.334 0.000 2.422 166 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.218 166 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.218 166 G C 1.521 176.540 174.900 0.198 0.000 1.146 166 G CA 1.001 46.321 45.100 0.367 0.000 0.769 166 G HN 0.363 nan 8.290 nan 0.000 0.547 167 V N 0.601 120.626 119.914 0.186 0.000 2.427 167 V HA -0.117 4.002 4.120 -0.000 0.000 0.248 167 V C 2.896 179.077 176.094 0.145 0.000 1.051 167 V CA 1.659 64.040 62.300 0.136 0.000 1.048 167 V CB -0.405 31.488 31.823 0.117 0.000 0.666 167 V HN 0.323 nan 8.190 nan 0.000 0.456 168 R N -0.322 120.272 120.500 0.156 0.000 2.096 168 R HA -0.104 4.236 4.340 -0.000 0.000 0.235 168 R C 2.227 178.593 176.300 0.110 0.000 1.127 168 R CA 1.338 57.523 56.100 0.142 0.000 0.968 168 R CB -0.537 29.841 30.300 0.130 0.000 0.861 168 R HN 0.415 nan 8.270 nan 0.000 0.440 169 V N 0.398 120.370 119.914 0.098 0.000 2.358 169 V HA -0.276 3.844 4.120 -0.000 0.000 0.246 169 V C 2.469 178.592 176.094 0.048 0.000 1.047 169 V CA 1.479 63.806 62.300 0.044 0.000 1.035 169 V CB -0.430 31.413 31.823 0.032 0.000 0.658 169 V HN 0.442 nan 8.190 nan 0.000 0.452 170 C N -0.012 119.358 119.300 0.118 0.000 2.425 170 C HA -0.141 4.319 4.460 -0.000 0.000 0.277 170 C C 2.655 177.815 174.990 0.283 0.000 1.280 170 C CA 0.884 60.048 59.018 0.242 0.000 1.744 170 C CB -1.015 26.934 27.740 0.348 0.000 1.989 170 C HN 0.624 nan 8.230 nan 0.000 0.491 171 E N 0.869 121.196 120.200 0.211 0.000 2.085 171 E HA -0.218 4.132 4.350 -0.000 0.000 0.194 171 E C 2.141 178.859 176.600 0.197 0.000 0.994 171 E CA 1.149 57.685 56.400 0.225 0.000 0.801 171 E CB -0.150 29.689 29.700 0.232 0.000 0.743 171 E HN 0.646 nan 8.360 nan 0.000 0.453 172 K N 0.510 120.993 120.400 0.138 0.000 2.002 172 K HA -0.128 4.191 4.320 -0.000 0.000 0.209 172 K C 2.253 178.911 176.600 0.096 0.000 1.048 172 K CA 1.538 57.894 56.287 0.115 0.000 0.930 172 K CB -0.178 32.312 32.500 -0.017 0.000 0.714 172 K HN 0.101 nan 8.250 nan 0.000 0.438 173 M N 0.398 120.000 119.600 0.004 0.000 2.089 173 M HA -0.235 4.245 4.480 -0.000 0.000 0.257 173 M C 2.424 178.744 176.300 0.033 0.000 1.071 173 M CA 2.005 57.239 55.300 -0.110 0.000 1.096 173 M CB -0.451 31.876 32.600 -0.455 0.000 1.330 173 M HN 0.263 nan 8.290 nan 0.000 0.403 174 A N -0.827 122.129 122.820 0.227 0.000 2.021 174 A HA 0.126 4.445 4.320 -0.000 0.000 0.216 174 A C 1.848 179.529 177.584 0.162 0.000 1.163 174 A CA 0.889 53.108 52.037 0.304 0.000 0.676 174 A CB -0.108 19.154 19.000 0.437 0.000 0.818 174 A HN 0.491 nan 8.150 nan 0.000 0.453 175 L N -3.014 118.292 121.223 0.138 0.000 2.920 175 L HA 0.182 4.522 4.340 -0.000 0.000 0.257 175 L C 1.897 178.796 176.870 0.049 0.000 1.150 175 L CA 0.038 54.901 54.840 0.037 0.000 0.959 175 L CB -0.016 42.034 42.059 -0.015 0.000 1.321 175 L HN 0.430 nan 8.230 nan 0.000 0.555 176 Y N 1.682 121.993 120.300 0.019 0.000 2.114 176 Y HA -0.356 4.194 4.550 -0.000 0.000 0.282 176 Y C 2.251 178.180 175.900 0.048 0.000 1.165 176 Y CA 2.341 60.468 58.100 0.045 0.000 1.148 176 Y CB 0.019 38.496 38.460 0.028 0.000 0.972 176 Y HN 0.232 nan 8.280 nan 0.000 0.504 177 D N -0.778 119.631 120.400 0.015 0.000 2.144 177 D HA -0.155 4.485 4.640 -0.000 0.000 0.200 177 D C 2.212 178.439 176.300 -0.122 0.000 0.978 177 D CA 1.360 55.318 54.000 -0.070 0.000 0.833 177 D CB -0.229 40.590 40.800 0.033 0.000 0.961 177 D HN 0.269 nan 8.370 nan 0.000 0.470 178 V N 0.485 120.339 119.914 -0.100 0.000 2.261 178 V HA -0.213 3.907 4.120 -0.000 0.000 0.246 178 V C 2.671 178.654 176.094 -0.184 0.000 1.047 178 V CA 1.819 64.040 62.300 -0.131 0.000 1.015 178 V CB -0.585 31.137 31.823 -0.168 0.000 0.642 178 V HN 0.348 nan 8.190 nan 0.000 0.446 179 V N -2.743 117.042 119.914 -0.215 0.000 3.141 179 V HA -0.049 4.071 4.120 -0.000 0.000 0.265 179 V C 1.969 177.914 176.094 -0.248 0.000 1.126 179 V CA 1.951 64.119 62.300 -0.220 0.000 1.141 179 V CB -0.198 31.517 31.823 -0.180 0.000 0.743 179 V HN 0.441 nan 8.190 nan 0.000 0.492 180 S N 1.100 116.644 115.700 -0.259 0.000 2.458 180 S HA -0.008 4.462 4.470 -0.000 0.000 0.223 180 S C 1.857 176.358 174.600 -0.166 0.000 1.019 180 S CA 1.360 59.423 58.200 -0.227 0.000 0.937 180 S CB 0.071 63.075 63.200 -0.328 0.000 0.788 180 S HN 0.942 nan 8.310 nan 0.000 0.511 181 T N -1.132 113.321 114.554 -0.169 0.000 2.954 181 T HA 0.262 4.612 4.350 -0.000 0.000 0.252 181 T C 1.535 176.128 174.700 -0.178 0.000 0.983 181 T CA -0.146 61.868 62.100 -0.144 0.000 0.941 181 T CB -0.338 68.473 68.868 -0.094 0.000 1.141 181 T HN 0.144 nan 8.240 nan 0.000 0.500 182 L N 2.657 123.770 121.223 -0.183 0.000 2.017 182 L HA 0.221 4.560 4.340 -0.000 0.000 0.208 182 L C -0.991 175.708 176.870 -0.285 0.000 1.073 182 L CA 1.802 56.538 54.840 -0.173 0.000 0.745 182 L CB -1.099 40.905 42.059 -0.092 0.000 0.894 182 L HN 0.070 nan 8.230 nan 0.000 0.432 183 P HA -0.233 nan 4.420 nan 0.000 0.214 183 P C 1.475 178.281 177.300 -0.823 0.000 1.163 183 P CA 1.449 64.075 63.100 -0.791 0.000 0.889 183 P CB -0.197 30.669 31.700 -1.391 0.000 0.790 184 Q N -0.039 119.315 119.800 -0.744 0.000 2.170 184 Q HA -0.109 4.231 4.340 -0.000 0.000 0.203 184 Q C 1.926 177.776 176.000 -0.250 0.000 0.976 184 Q CA 1.477 57.057 55.803 -0.373 0.000 0.858 184 Q CB -0.729 27.902 28.738 -0.179 0.000 0.907 184 Q HN 0.087 nan 8.270 nan 0.000 0.433 185 V N -0.128 119.646 119.914 -0.234 0.000 2.379 185 V HA -0.176 3.944 4.120 -0.000 0.000 0.245 185 V C 2.453 178.447 176.094 -0.166 0.000 1.044 185 V CA 1.297 63.502 62.300 -0.159 0.000 1.036 185 V CB -0.296 31.453 31.823 -0.124 0.000 0.664 185 V HN 0.116 nan 8.190 nan 0.000 0.453 186 V N -0.701 119.079 119.914 -0.224 0.000 2.488 186 V HA -0.116 4.003 4.120 -0.000 0.000 0.246 186 V C 1.983 177.883 176.094 -0.323 0.000 1.046 186 V CA 1.820 63.983 62.300 -0.228 0.000 1.053 186 V CB -0.386 31.294 31.823 -0.238 0.000 0.679 186 V HN 0.470 nan 8.190 nan 0.000 0.458 187 M N -0.967 118.376 119.600 -0.427 0.000 2.371 187 M HA 0.374 4.853 4.480 -0.000 0.000 0.246 187 M C 1.464 177.634 176.300 -0.217 0.000 1.103 187 M CA 0.694 55.665 55.300 -0.547 0.000 1.010 187 M CB 0.451 32.629 32.600 -0.703 0.000 1.457 187 M HN 0.432 nan 8.290 nan 0.000 0.486 188 G N 1.735 110.440 108.800 -0.160 0.000 2.614 188 G HA2 -0.393 3.566 3.960 -0.000 0.000 0.303 188 G HA3 -0.393 3.566 3.960 -0.000 0.000 0.303 188 G C 0.812 175.654 174.900 -0.097 0.000 1.270 188 G CA 0.850 45.898 45.100 -0.087 0.000 0.988 188 G HN 0.550 nan 8.290 nan 0.000 0.551 189 S N -0.653 115.011 115.700 -0.061 0.000 2.547 189 S HA 0.128 4.598 4.470 -0.000 0.000 0.235 189 S C 2.139 176.564 174.600 -0.292 0.000 0.980 189 S CA 1.810 59.915 58.200 -0.159 0.000 0.941 189 S CB 0.043 63.223 63.200 -0.033 0.000 0.763 189 S HN 0.893 nan 8.310 nan 0.000 0.532 190 S N 0.224 115.883 115.700 -0.067 0.000 2.489 190 S HA 0.145 4.614 4.470 -0.000 0.000 0.228 190 S C 0.184 174.772 174.600 -0.020 0.000 0.995 190 S CA -0.157 58.068 58.200 0.042 0.000 0.934 190 S CB -0.364 62.993 63.200 0.261 0.000 0.771 190 S HN 0.711 nan 8.310 nan 0.000 0.522 191 Y N 2.719 122.858 120.300 -0.268 0.000 2.531 191 Y HA 0.435 4.985 4.550 -0.000 0.000 0.347 191 Y C 1.251 176.896 175.900 -0.425 0.000 1.024 191 Y CA -1.261 56.649 58.100 -0.316 0.000 1.306 191 Y CB 0.134 38.410 38.460 -0.307 0.000 1.149 191 Y HN 0.057 nan 8.280 nan 0.000 0.527 192 G N 4.501 112.862 108.800 -0.732 0.000 2.448 192 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.218 192 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.218 192 G C 1.072 175.458 174.900 -0.857 0.000 1.135 192 G CA 0.162 44.865 45.100 -0.661 0.000 0.784 192 G HN 0.646 nan 8.290 nan 0.000 0.543 193 F N 1.414 120.688 119.950 -1.125 0.000 2.641 193 F HA 0.005 4.532 4.527 -0.000 0.000 0.298 193 F C 2.806 178.386 175.800 -0.368 0.000 1.146 193 F CA 0.933 58.374 58.000 -0.931 0.000 1.464 193 F CB -0.144 38.290 39.000 -0.942 0.000 1.101 193 F HN 0.393 nan 8.300 nan 0.000 0.585 194 Q N -0.881 118.703 119.800 -0.359 0.000 2.451 194 Q HA -0.042 4.298 4.340 -0.000 0.000 0.206 194 Q C -0.640 175.276 176.000 -0.140 0.000 0.947 194 Q CA 0.560 56.264 55.803 -0.166 0.000 0.937 194 Q CB -0.227 28.324 28.738 -0.312 0.000 1.025 194 Q HN 0.285 nan 8.270 nan 0.000 0.511 195 Y N 1.566 121.881 120.300 0.026 0.000 2.387 195 Y HA 0.347 4.896 4.550 -0.000 0.000 0.336 195 Y C 0.602 176.387 175.900 -0.191 0.000 1.067 195 Y CA -1.341 56.727 58.100 -0.053 0.000 1.114 195 Y CB 1.548 39.936 38.460 -0.121 0.000 1.208 195 Y HN 0.097 nan 8.280 nan 0.000 0.458 196 S N 1.906 117.412 115.700 -0.325 0.000 2.655 196 S HA 0.294 4.764 4.470 -0.000 0.000 0.265 196 S C -2.070 172.219 174.600 -0.519 0.000 1.240 196 S CA -1.105 56.404 58.200 -1.151 0.000 0.986 196 S CB 1.290 63.979 63.200 -0.851 0.000 0.985 196 S HN 0.414 nan 8.310 nan 0.000 0.562 197 P HA 0.025 nan 4.420 nan 0.000 0.216 197 P C 1.608 178.859 177.300 -0.082 0.000 1.150 197 P CA 1.584 64.584 63.100 -0.168 0.000 0.837 197 P CB -0.450 31.201 31.700 -0.082 0.000 0.786 198 G N -0.513 108.227 108.800 -0.101 0.000 2.421 198 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.217 198 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.217 198 G C 1.457 176.313 174.900 -0.072 0.000 1.143 198 G CA 0.390 45.470 45.100 -0.034 0.000 0.784 198 G HN 0.307 nan 8.290 nan 0.000 0.541 199 Q N -0.506 119.228 119.800 -0.109 0.000 2.245 199 Q HA 0.082 4.422 4.340 -0.000 0.000 0.201 199 Q C 2.520 178.345 176.000 -0.292 0.000 0.955 199 Q CA 0.528 56.259 55.803 -0.119 0.000 0.870 199 Q CB -0.044 28.709 28.738 0.024 0.000 0.945 199 Q HN 0.433 nan 8.270 nan 0.000 0.461 200 R N 0.482 120.853 120.500 -0.215 0.000 2.075 200 R HA -0.119 4.221 4.340 -0.000 0.000 0.232 200 R C 2.035 178.241 176.300 -0.156 0.000 1.126 200 R CA 1.131 57.093 56.100 -0.230 0.000 0.963 200 R CB -0.082 30.183 30.300 -0.059 0.000 0.858 200 R HN 0.086 nan 8.270 nan 0.000 0.435 201 V N 1.408 121.256 119.914 -0.110 0.000 2.295 201 V HA -0.242 3.878 4.120 -0.000 0.000 0.246 201 V C 2.364 178.370 176.094 -0.145 0.000 1.049 201 V CA 2.255 64.491 62.300 -0.107 0.000 1.024 201 V CB -0.599 31.198 31.823 -0.044 0.000 0.648 201 V HN 0.504 nan 8.190 nan 0.000 0.447 202 E N -0.377 119.752 120.200 -0.119 0.000 2.085 202 E HA -0.282 4.067 4.350 -0.000 0.000 0.194 202 E C 2.102 178.625 176.600 -0.129 0.000 0.994 202 E CA 1.712 58.045 56.400 -0.112 0.000 0.801 202 E CB -0.214 29.445 29.700 -0.069 0.000 0.743 202 E HN 0.563 nan 8.360 nan 0.000 0.453 203 F N 1.035 120.789 119.950 -0.327 0.000 2.146 203 F HA -0.065 4.462 4.527 -0.000 0.000 0.298 203 F C 1.836 177.510 175.800 -0.211 0.000 1.096 203 F CA 1.129 58.932 58.000 -0.328 0.000 1.275 203 F CB -0.157 38.466 39.000 -0.629 0.000 1.008 203 F HN -0.002 nan 8.300 nan 0.000 0.480 204 L N -0.843 120.196 121.223 -0.307 0.000 2.056 204 L HA -0.187 4.153 4.340 -0.000 0.000 0.207 204 L C 2.368 179.065 176.870 -0.287 0.000 1.078 204 L CA 0.865 55.511 54.840 -0.323 0.000 0.749 204 L CB -0.755 41.185 42.059 -0.198 0.000 0.901 204 L HN -0.002 nan 8.230 nan 0.000 0.433 205 V N 0.014 119.751 119.914 -0.296 0.000 2.270 205 V HA -0.252 3.868 4.120 -0.000 0.000 0.245 205 V C 2.210 178.188 176.094 -0.194 0.000 1.043 205 V CA 1.783 63.897 62.300 -0.311 0.000 1.014 205 V CB -0.623 30.912 31.823 -0.480 0.000 0.645 205 V HN 0.475 nan 8.190 nan 0.000 0.447 206 N N 0.076 118.651 118.700 -0.208 0.000 2.166 206 N HA -0.139 4.601 4.740 -0.000 0.000 0.186 206 N C 1.888 177.289 175.510 -0.182 0.000 1.019 206 N CA 1.935 54.891 53.050 -0.158 0.000 0.856 206 N CB -0.554 37.858 38.487 -0.124 0.000 0.993 206 N HN 0.463 nan 8.380 nan 0.000 0.426 207 T N 0.378 114.741 114.554 -0.318 0.000 2.777 207 T HA -0.125 4.224 4.350 -0.000 0.000 0.266 207 T C 1.493 176.107 174.700 -0.143 0.000 1.040 207 T CA 0.547 62.455 62.100 -0.319 0.000 1.141 207 T CB -0.194 68.328 68.868 -0.577 0.000 0.868 207 T HN 0.435 nan 8.240 nan 0.000 0.444 208 W N 2.295 123.430 121.300 -0.275 0.000 2.363 208 W HA -0.089 4.570 4.660 -0.002 0.000 0.296 208 W C 1.621 178.051 176.519 -0.148 0.000 1.212 208 W CA 1.136 58.363 57.345 -0.197 0.000 1.260 208 W CB -0.111 29.227 29.460 -0.203 0.000 1.131 208 W HN 0.269 nan 8.180 nan 0.000 0.530 209 K N 0.198 120.605 120.400 0.011 0.000 2.296 209 K HA -0.102 4.218 4.320 -0.000 0.000 0.200 209 K C 2.147 178.688 176.600 -0.098 0.000 1.048 209 K CA 1.398 57.659 56.287 -0.044 0.000 0.966 209 K CB -0.300 32.195 32.500 -0.008 0.000 0.754 209 K HN 0.010 nan 8.250 nan 0.000 0.466 210 S N 0.546 116.180 115.700 -0.111 0.000 2.507 210 S HA -0.018 4.452 4.470 -0.000 0.000 0.235 210 S C 0.428 174.954 174.600 -0.124 0.000 0.988 210 S CA 0.488 58.626 58.200 -0.102 0.000 0.944 210 S CB -0.018 63.124 63.200 -0.097 0.000 0.762 210 S HN -0.035 nan 8.310 nan 0.000 0.526 211 K N 1.363 121.652 120.400 -0.185 0.000 2.138 211 K HA 0.499 4.819 4.320 -0.000 0.000 0.263 211 K C 0.651 177.135 176.600 -0.194 0.000 0.965 211 K CA -0.533 55.633 56.287 -0.202 0.000 0.868 211 K CB 1.217 33.546 32.500 -0.285 0.000 1.083 211 K HN 0.018 nan 8.250 nan 0.000 0.443 212 K N 0.889 121.204 120.400 -0.142 0.000 2.001 212 K HA -0.014 4.306 4.320 -0.000 0.000 0.208 212 K C -0.049 176.471 176.600 -0.135 0.000 1.048 212 K CA 1.158 57.377 56.287 -0.113 0.000 0.932 212 K CB 0.106 32.559 32.500 -0.080 0.000 0.715 212 K HN 0.403 nan 8.250 nan 0.000 0.437 213 N N 1.470 120.080 118.700 -0.150 0.000 2.841 213 N HA 0.188 4.927 4.740 -0.000 0.000 0.257 213 N C -2.830 172.545 175.510 -0.226 0.000 1.396 213 N CA -1.247 51.715 53.050 -0.147 0.000 0.823 213 N CB 1.219 39.657 38.487 -0.083 0.000 1.162 213 N HN 0.065 nan 8.380 nan 0.000 0.503 214 P HA 0.018 nan 4.420 nan 0.000 0.265 214 P C -0.176 176.738 177.300 -0.643 0.000 1.193 214 P CA 0.048 62.656 63.100 -0.820 0.000 0.765 214 P CB 1.031 31.670 31.700 -1.769 0.000 0.823 215 M N 2.577 121.891 119.600 -0.476 0.000 2.371 215 M HA 0.629 5.109 4.480 -0.000 0.000 0.287 215 M C -1.298 174.961 176.300 -0.068 0.000 1.149 215 M CA -0.264 54.906 55.300 -0.217 0.000 0.929 215 M CB 2.522 35.079 32.600 -0.073 0.000 1.683 215 M HN 0.589 nan 8.290 nan 0.000 0.470 216 G N 3.657 112.517 108.800 0.099 0.000 2.690 216 G HA2 0.836 4.796 3.960 -0.000 0.000 0.293 216 G HA3 0.836 4.796 3.960 -0.000 0.000 0.293 216 G C -2.055 172.948 174.900 0.172 0.000 1.399 216 G CA -0.612 44.578 45.100 0.149 0.000 0.890 216 G HN 0.853 nan 8.290 nan 0.000 0.485 217 F N -0.630 119.287 119.950 -0.056 0.000 2.693 217 F HA 0.808 5.336 4.527 0.002 0.000 0.309 217 F C -0.327 175.466 175.800 -0.012 0.000 1.129 217 F CA -1.424 56.545 58.000 -0.051 0.000 0.948 217 F CB 1.372 40.329 39.000 -0.071 0.000 1.315 217 F HN 0.674 nan 8.300 nan 0.000 0.447 218 S N 1.044 116.818 115.700 0.123 0.000 2.525 218 S HA 0.644 5.114 4.470 -0.000 0.000 0.290 218 S C -1.610 173.167 174.600 0.296 0.000 1.152 218 S CA -0.564 57.679 58.200 0.071 0.000 1.072 218 S CB 1.585 64.815 63.200 0.049 0.000 1.027 218 S HN 0.882 nan 8.310 nan 0.000 0.500 219 Y N 1.807 122.201 120.300 0.157 0.000 2.345 219 Y HA 0.452 5.001 4.550 -0.001 0.000 0.331 219 Y C -0.907 175.119 175.900 0.209 0.000 0.959 219 Y CA -0.941 57.332 58.100 0.288 0.000 1.204 219 Y CB 1.220 39.953 38.460 0.454 0.000 1.135 219 Y HN 0.878 nan 8.280 nan 0.000 0.477 220 D N 4.346 124.594 120.400 -0.252 0.000 2.359 220 D HA 0.229 4.868 4.640 -0.000 0.000 0.230 220 D C -0.738 175.383 176.300 -0.298 0.000 1.118 220 D CA -0.100 53.804 54.000 -0.161 0.000 0.844 220 D CB 1.029 41.780 40.800 -0.081 0.000 1.059 220 D HN 0.464 nan 8.370 nan 0.000 0.493 221 T N 3.856 118.393 114.554 -0.028 0.000 2.832 221 T HA 0.137 4.487 4.350 -0.000 0.000 0.296 221 T C 0.445 175.208 174.700 0.104 0.000 0.968 221 T CA -0.498 61.659 62.100 0.095 0.000 1.107 221 T CB 0.681 69.807 68.868 0.429 0.000 0.916 221 T HN 0.316 nan 8.240 nan 0.000 0.517 222 R N 2.453 122.982 120.500 0.049 0.000 2.402 222 R HA 0.105 4.445 4.340 -0.000 0.000 0.331 222 R C 0.192 176.588 176.300 0.160 0.000 1.040 222 R CA -0.159 55.976 56.100 0.058 0.000 0.980 222 R CB -0.817 29.468 30.300 -0.025 0.000 0.967 222 R HN 0.932 nan 8.270 nan 0.000 0.440 223 C N 6.490 125.914 119.300 0.208 0.000 3.514 223 C HA -0.192 4.268 4.460 -0.000 0.000 0.286 223 C C 1.282 176.477 174.990 0.342 0.000 1.302 223 C CA 0.145 59.335 59.018 0.287 0.000 2.239 223 C CB -2.383 25.567 27.740 0.350 0.000 1.429 223 C HN 1.061 nan 8.230 nan 0.000 0.565 224 F N 1.940 122.001 119.950 0.186 0.000 2.111 224 F HA -0.157 4.370 4.527 -0.001 0.000 0.300 224 F C 1.793 177.702 175.800 0.181 0.000 1.088 224 F CA 2.642 60.753 58.000 0.185 0.000 1.243 224 F CB -0.098 38.999 39.000 0.161 0.000 0.996 224 F HN 0.596 nan 8.300 nan 0.000 0.483 225 D N -0.474 120.199 120.400 0.454 0.000 2.123 225 D HA -0.166 4.473 4.640 -0.000 0.000 0.196 225 D C 2.450 178.847 176.300 0.161 0.000 0.992 225 D CA 1.765 55.956 54.000 0.320 0.000 0.833 225 D CB -0.591 40.379 40.800 0.283 0.000 0.954 225 D HN 0.261 nan 8.370 nan 0.000 0.455 226 S N -0.482 115.322 115.700 0.174 0.000 2.453 226 S HA -0.097 4.372 4.470 -0.000 0.000 0.231 226 S C 2.008 176.614 174.600 0.009 0.000 1.005 226 S CA 1.330 59.537 58.200 0.012 0.000 0.949 226 S CB -0.222 62.963 63.200 -0.025 0.000 0.774 226 S HN 0.524 nan 8.310 nan 0.000 0.510 227 T N -0.458 114.177 114.554 0.136 0.000 3.088 227 T HA 0.130 4.479 4.350 -0.000 0.000 0.259 227 T C 0.585 175.244 174.700 -0.068 0.000 1.122 227 T CA 0.006 62.167 62.100 0.102 0.000 1.095 227 T CB -0.403 68.462 68.868 -0.004 0.000 0.930 227 T HN 0.040 nan 8.240 nan 0.000 0.508 228 V N 4.109 123.957 119.914 -0.110 0.000 2.446 228 V HA 0.315 4.435 4.120 -0.000 0.000 0.276 228 V C 1.131 177.200 176.094 -0.042 0.000 1.030 228 V CA -0.267 61.986 62.300 -0.079 0.000 1.033 228 V CB -0.023 31.805 31.823 0.009 0.000 0.993 228 V HN 0.711 nan 8.190 nan 0.000 0.477 229 T N 0.811 115.349 114.554 -0.028 0.000 2.897 229 T HA 0.313 4.663 4.350 -0.000 0.000 0.278 229 T C 1.047 175.748 174.700 0.001 0.000 0.981 229 T CA -0.353 61.737 62.100 -0.018 0.000 0.973 229 T CB 1.493 70.348 68.868 -0.021 0.000 1.092 229 T HN 0.664 nan 8.240 nan 0.000 0.543 230 E N 0.368 120.574 120.200 0.011 0.000 2.118 230 E HA -0.268 4.082 4.350 -0.000 0.000 0.195 230 E C 1.950 178.565 176.600 0.026 0.000 0.992 230 E CA 1.613 58.028 56.400 0.025 0.000 0.804 230 E CB -0.226 29.494 29.700 0.034 0.000 0.741 230 E HN 0.771 nan 8.360 nan 0.000 0.458 231 N N 0.644 119.353 118.700 0.015 0.000 2.069 231 N HA -0.200 4.540 4.740 -0.000 0.000 0.191 231 N C 1.455 176.985 175.510 0.032 0.000 1.031 231 N CA 2.113 55.172 53.050 0.014 0.000 0.852 231 N CB -0.094 38.385 38.487 -0.014 0.000 1.018 231 N HN 0.129 nan 8.380 nan 0.000 0.423 232 D N 0.102 120.522 120.400 0.034 0.000 2.117 232 D HA -0.116 4.524 4.640 -0.000 0.000 0.197 232 D C 1.990 178.310 176.300 0.032 0.000 0.987 232 D CA 0.997 55.028 54.000 0.052 0.000 0.829 232 D CB -0.228 40.602 40.800 0.049 0.000 0.961 232 D HN 0.484 nan 8.370 nan 0.000 0.460 233 I N 0.620 121.212 120.570 0.036 0.000 2.252 233 I HA -0.190 3.980 4.170 -0.000 0.000 0.245 233 I C 2.484 178.617 176.117 0.025 0.000 1.102 233 I CA 0.893 62.221 61.300 0.046 0.000 1.385 233 I CB -0.116 37.934 38.000 0.084 0.000 1.064 233 I HN -0.128 nan 8.210 nan 0.000 0.414 234 R N 0.149 120.665 120.500 0.026 0.000 2.092 234 R HA -0.069 4.271 4.340 -0.000 0.000 0.231 234 R C 2.329 178.613 176.300 -0.026 0.000 1.119 234 R CA 0.916 57.024 56.100 0.013 0.000 0.970 234 R CB -0.339 29.973 30.300 0.021 0.000 0.864 234 R HN 0.197 nan 8.270 nan 0.000 0.440 235 V N 1.367 121.268 119.914 -0.021 0.000 2.343 235 V HA -0.237 3.883 4.120 -0.000 0.000 0.247 235 V C 1.909 177.914 176.094 -0.148 0.000 1.051 235 V CA 1.814 64.088 62.300 -0.045 0.000 1.036 235 V CB -0.365 31.467 31.823 0.015 0.000 0.654 235 V HN 0.334 nan 8.190 nan 0.000 0.451 236 E N -0.347 119.734 120.200 -0.197 0.000 2.085 236 E HA -0.262 4.088 4.350 -0.000 0.000 0.194 236 E C 2.347 178.464 176.600 -0.806 0.000 0.994 236 E CA 1.434 57.557 56.400 -0.461 0.000 0.801 236 E CB -0.154 29.326 29.700 -0.366 0.000 0.743 236 E HN 0.604 nan 8.360 nan 0.000 0.453 237 E N 0.482 120.436 120.200 -0.410 0.000 2.077 237 E HA -0.187 4.162 4.350 -0.000 0.000 0.193 237 E C 2.125 178.643 176.600 -0.137 0.000 0.989 237 E CA 1.434 57.712 56.400 -0.203 0.000 0.800 237 E CB 0.020 29.752 29.700 0.053 0.000 0.746 237 E HN 0.235 nan 8.360 nan 0.000 0.452 238 S N 0.283 115.910 115.700 -0.121 0.000 2.419 238 S HA -0.136 4.333 4.470 -0.000 0.000 0.233 238 S C 2.021 176.572 174.600 -0.083 0.000 1.016 238 S CA 0.944 59.104 58.200 -0.067 0.000 0.974 238 S CB -0.464 62.705 63.200 -0.051 0.000 0.786 238 S HN 0.292 nan 8.310 nan 0.000 0.492 239 I N -0.246 120.218 120.570 -0.177 0.000 2.333 239 I HA -0.058 4.112 4.170 -0.000 0.000 0.246 239 I C 2.196 178.295 176.117 -0.031 0.000 1.106 239 I CA 0.945 62.163 61.300 -0.137 0.000 1.411 239 I CB -0.404 37.475 38.000 -0.202 0.000 1.082 239 I HN 0.207 nan 8.210 nan 0.000 0.420 240 Y N 1.164 121.459 120.300 -0.007 0.000 2.181 240 Y HA -0.208 4.342 4.550 -0.000 0.000 0.288 240 Y C 2.645 178.549 175.900 0.007 0.000 1.146 240 Y CA 0.639 58.739 58.100 -0.001 0.000 1.164 240 Y CB -1.065 37.409 38.460 0.023 0.000 0.982 240 Y HN 0.213 nan 8.280 nan 0.000 0.515 241 Q N -1.136 118.756 119.800 0.153 0.000 2.439 241 Q HA -0.135 4.204 4.340 -0.000 0.000 0.211 241 Q C 2.316 178.350 176.000 0.057 0.000 0.978 241 Q CA 0.917 56.776 55.803 0.093 0.000 0.897 241 Q CB -0.824 27.952 28.738 0.063 0.000 0.956 241 Q HN 0.513 nan 8.270 nan 0.000 0.483 242 C N 0.113 119.439 119.300 0.043 0.000 2.432 242 C HA -0.038 4.422 4.460 -0.000 0.000 0.282 242 C C 1.634 176.639 174.990 0.025 0.000 1.388 242 C CA -0.658 58.374 59.018 0.022 0.000 1.777 242 C CB -0.662 27.080 27.740 0.004 0.000 1.882 242 C HN 0.424 nan 8.230 nan 0.000 0.520 243 C N 1.717 121.041 119.300 0.041 0.000 2.705 243 C HA 0.146 4.606 4.460 -0.000 0.000 0.382 243 C C 0.529 175.537 174.990 0.029 0.000 1.322 243 C CA -0.168 58.869 59.018 0.031 0.000 2.290 243 C CB -0.177 27.586 27.740 0.039 0.000 2.650 243 C HN 0.517 nan 8.230 nan 0.000 0.695 244 D N 1.478 121.891 120.400 0.021 0.000 2.365 244 D HA 0.499 5.139 4.640 -0.000 0.000 0.237 244 D C -0.628 175.689 176.300 0.028 0.000 1.190 244 D CA 0.231 54.244 54.000 0.021 0.000 0.867 244 D CB -0.061 40.748 40.800 0.014 0.000 1.050 244 D HN 0.394 nan 8.370 nan 0.000 0.491 245 L N 1.884 123.129 121.223 0.037 0.000 2.309 245 L HA 0.727 5.067 4.340 -0.000 0.000 0.261 245 L C 0.359 177.259 176.870 0.049 0.000 1.021 245 L CA -1.497 53.371 54.840 0.047 0.000 0.823 245 L CB 1.741 43.836 42.059 0.060 0.000 1.366 245 L HN 0.345 nan 8.230 nan 0.000 0.423 246 A N 1.006 123.863 122.820 0.061 0.000 2.371 246 A HA 0.429 4.749 4.320 -0.000 0.000 0.257 246 A C -1.867 175.760 177.584 0.071 0.000 1.089 246 A CA -1.037 51.039 52.037 0.064 0.000 0.794 246 A CB 0.025 19.071 19.000 0.076 0.000 1.029 246 A HN 0.622 nan 8.150 nan 0.000 0.488 247 P HA -0.207 nan 4.420 nan 0.000 0.216 247 P C 1.204 178.538 177.300 0.058 0.000 1.154 247 P CA 1.766 64.896 63.100 0.049 0.000 0.865 247 P CB 0.256 31.980 31.700 0.040 0.000 0.789 248 E N -1.103 119.155 120.200 0.096 0.000 2.106 248 E HA -0.131 4.219 4.350 -0.000 0.000 0.192 248 E C 2.003 178.693 176.600 0.149 0.000 0.984 248 E CA 0.918 57.397 56.400 0.131 0.000 0.806 248 E CB -0.370 29.486 29.700 0.259 0.000 0.750 248 E HN 0.107 nan 8.360 nan 0.000 0.458 249 A N 1.058 123.989 122.820 0.184 0.000 1.930 249 A HA -0.151 4.168 4.320 -0.000 0.000 0.217 249 A C 2.024 179.667 177.584 0.099 0.000 1.175 249 A CA 1.021 53.174 52.037 0.194 0.000 0.627 249 A CB -0.287 18.812 19.000 0.166 0.000 0.815 249 A HN 0.101 nan 8.150 nan 0.000 0.443 250 R N -1.057 119.485 120.500 0.070 0.000 2.081 250 R HA -0.177 4.163 4.340 -0.000 0.000 0.235 250 R C 2.491 178.799 176.300 0.013 0.000 1.131 250 R CA 1.699 57.829 56.100 0.049 0.000 0.960 250 R CB -0.268 30.057 30.300 0.041 0.000 0.856 250 R HN 0.639 nan 8.270 nan 0.000 0.436 251 Q N 0.705 120.492 119.800 -0.023 0.000 2.079 251 Q HA -0.078 4.262 4.340 -0.000 0.000 0.200 251 Q C 1.933 177.849 176.000 -0.141 0.000 0.974 251 Q CA 1.977 57.733 55.803 -0.078 0.000 0.840 251 Q CB -0.222 28.456 28.738 -0.101 0.000 0.898 251 Q HN 0.323 nan 8.270 nan 0.000 0.430 252 A N 0.245 122.938 122.820 -0.212 0.000 1.902 252 A HA -0.144 4.176 4.320 -0.000 0.000 0.217 252 A C 2.136 179.647 177.584 -0.122 0.000 1.181 252 A CA 1.533 53.378 52.037 -0.321 0.000 0.623 252 A CB -0.771 17.910 19.000 -0.531 0.000 0.818 252 A HN 0.493 nan 8.150 nan 0.000 0.443 253 I N -0.593 119.975 120.570 -0.004 0.000 2.286 253 I HA -0.257 3.913 4.170 -0.000 0.000 0.248 253 I C 2.539 178.705 176.117 0.081 0.000 1.115 253 I CA 1.851 63.206 61.300 0.092 0.000 1.392 253 I CB -0.220 37.867 38.000 0.146 0.000 1.065 253 I HN 0.416 nan 8.210 nan 0.000 0.418 254 K N 0.517 120.935 120.400 0.029 0.000 2.025 254 K HA -0.187 4.133 4.320 -0.000 0.000 0.207 254 K C 2.363 178.946 176.600 -0.029 0.000 1.049 254 K CA 1.729 58.027 56.287 0.018 0.000 0.933 254 K CB -0.099 32.400 32.500 -0.001 0.000 0.714 254 K HN 0.071 nan 8.250 nan 0.000 0.438 255 S N 0.634 116.285 115.700 -0.082 0.000 2.356 255 S HA -0.071 4.399 4.470 -0.000 0.000 0.223 255 S C 1.921 176.427 174.600 -0.157 0.000 1.032 255 S CA 1.064 59.192 58.200 -0.120 0.000 1.005 255 S CB -0.246 62.853 63.200 -0.169 0.000 0.867 255 S HN 0.357 nan 8.310 nan 0.000 0.449 256 L N 0.643 121.744 121.223 -0.203 0.000 2.131 256 L HA -0.094 4.245 4.340 -0.000 0.000 0.210 256 L C 2.696 179.243 176.870 -0.538 0.000 1.092 256 L CA 1.435 56.029 54.840 -0.409 0.000 0.759 256 L CB -0.801 40.995 42.059 -0.439 0.000 0.903 256 L HN 0.347 nan 8.230 nan 0.000 0.435 257 T N -1.156 113.296 114.554 -0.171 0.000 2.737 257 T HA -0.128 4.222 4.350 -0.000 0.000 0.265 257 T C 1.782 176.488 174.700 0.009 0.000 1.038 257 T CA 1.002 63.141 62.100 0.065 0.000 1.144 257 T CB -0.040 68.946 68.868 0.198 0.000 0.866 257 T HN 0.270 nan 8.240 nan 0.000 0.434 258 E N 1.159 121.346 120.200 -0.021 0.000 2.106 258 E HA -0.022 4.327 4.350 -0.000 0.000 0.192 258 E C 2.301 178.883 176.600 -0.030 0.000 0.984 258 E CA 0.918 57.310 56.400 -0.013 0.000 0.806 258 E CB -0.082 29.607 29.700 -0.018 0.000 0.750 258 E HN 0.460 nan 8.360 nan 0.000 0.458 259 R N -0.560 119.892 120.500 -0.080 0.000 2.237 259 R HA 0.123 4.463 4.340 -0.000 0.000 0.195 259 R C 1.824 178.068 176.300 -0.094 0.000 0.956 259 R CA 0.246 56.302 56.100 -0.074 0.000 1.029 259 R CB 0.322 30.570 30.300 -0.087 0.000 0.972 259 R HN 0.034 nan 8.270 nan 0.000 0.493 260 L N -2.216 118.907 121.223 -0.166 0.000 2.664 260 L HA 0.198 4.538 4.340 -0.000 0.000 0.198 260 L C 1.250 178.111 176.870 -0.016 0.000 1.057 260 L CA 0.644 55.394 54.840 -0.150 0.000 0.871 260 L CB -0.194 41.705 42.059 -0.267 0.000 1.364 260 L HN -0.146 nan 8.230 nan 0.000 0.483 261 Y N 0.569 120.891 120.300 0.036 0.000 2.181 261 Y HA -0.102 4.448 4.550 -0.000 0.000 0.288 261 Y C 2.567 178.482 175.900 0.025 0.000 1.146 261 Y CA 1.609 59.739 58.100 0.050 0.000 1.164 261 Y CB -0.970 37.544 38.460 0.090 0.000 0.982 261 Y HN 0.138 nan 8.280 nan 0.000 0.515 262 I N -1.050 119.617 120.570 0.161 0.000 2.315 262 I HA -0.058 4.112 4.170 -0.000 0.000 0.248 262 I C 1.251 177.386 176.117 0.030 0.000 1.117 262 I CA 1.377 62.729 61.300 0.087 0.000 1.404 262 I CB -0.360 37.681 38.000 0.069 0.000 1.071 262 I HN 0.292 nan 8.210 nan 0.000 0.419 263 G N -1.125 107.671 108.800 -0.006 0.000 2.320 263 G HA2 0.512 4.472 3.960 -0.000 0.000 0.296 263 G HA3 0.512 4.472 3.960 -0.000 0.000 0.296 263 G C -1.111 173.647 174.900 -0.238 0.000 1.306 263 G CA -0.073 44.952 45.100 -0.125 0.000 0.836 263 G HN 0.391 nan 8.290 nan 0.000 0.517 264 G N -0.846 107.536 108.800 -0.698 0.000 2.328 264 G HA2 0.683 4.642 3.960 -0.000 0.000 0.299 264 G HA3 0.683 4.642 3.960 -0.000 0.000 0.299 264 G C -3.458 170.852 174.900 -0.984 0.000 1.435 264 G CA -0.006 44.674 45.100 -0.700 0.000 0.865 264 G HN 0.727 nan 8.290 nan 0.000 0.601 265 P HA 0.425 nan 4.420 nan 0.000 0.272 265 P C -0.525 176.705 177.300 -0.117 0.000 1.223 265 P CA -0.143 62.886 63.100 -0.118 0.000 0.784 265 P CB 1.205 32.962 31.700 0.095 0.000 0.923 266 L N 2.271 123.466 121.223 -0.046 0.000 2.305 266 L HA 0.436 4.775 4.340 -0.000 0.000 0.284 266 L C 0.378 177.256 176.870 0.013 0.000 1.013 266 L CA -0.253 54.577 54.840 -0.016 0.000 0.819 266 L CB 1.632 43.716 42.059 0.041 0.000 1.227 266 L HN 0.275 nan 8.230 nan 0.000 0.417 267 T N 1.397 115.934 114.554 -0.027 0.000 2.807 267 T HA 0.321 4.671 4.350 -0.000 0.000 0.279 267 T C -0.147 174.531 174.700 -0.035 0.000 0.993 267 T CA -0.850 61.236 62.100 -0.023 0.000 0.970 267 T CB 1.440 70.281 68.868 -0.045 0.000 0.950 267 T HN 0.632 nan 8.240 nan 0.000 0.441 268 N N 0.857 119.554 118.700 -0.006 0.000 2.347 268 N HA 0.092 4.832 4.740 -0.000 0.000 0.253 268 N C 1.373 176.872 175.510 -0.019 0.000 1.274 268 N CA -0.360 52.687 53.050 -0.005 0.000 0.941 268 N CB 0.171 38.665 38.487 0.012 0.000 1.200 268 N HN 0.458 nan 8.380 nan 0.000 0.514 269 S N -1.349 114.349 115.700 -0.004 0.000 2.500 269 S HA -0.101 4.369 4.470 -0.000 0.000 0.239 269 S C 0.879 175.472 174.600 -0.010 0.000 0.989 269 S CA 0.678 58.877 58.200 -0.002 0.000 0.951 269 S CB -0.454 62.759 63.200 0.022 0.000 0.759 269 S HN 0.643 nan 8.310 nan 0.000 0.523 270 K N 0.413 120.808 120.400 -0.008 0.000 2.374 270 K HA 0.304 4.624 4.320 -0.000 0.000 0.196 270 K C 1.221 177.812 176.600 -0.015 0.000 1.023 270 K CA 0.350 56.631 56.287 -0.009 0.000 1.103 270 K CB 0.164 32.663 32.500 -0.002 0.000 0.848 270 K HN 0.501 nan 8.250 nan 0.000 0.528 271 G N 1.703 110.490 108.800 -0.021 0.000 2.176 271 G HA2 -0.285 3.674 3.960 -0.000 0.000 0.253 271 G HA3 -0.285 3.674 3.960 -0.000 0.000 0.253 271 G C -0.162 174.734 174.900 -0.007 0.000 0.979 271 G CA -0.108 44.978 45.100 -0.023 0.000 0.641 271 G HN 0.339 nan 8.290 nan 0.000 0.530 272 Q N 0.135 119.936 119.800 0.003 0.000 2.259 272 Q HA 0.307 4.647 4.340 -0.000 0.000 0.246 272 Q C 0.344 176.361 176.000 0.029 0.000 0.920 272 Q CA -0.466 55.346 55.803 0.017 0.000 0.895 272 Q CB 0.926 29.677 28.738 0.021 0.000 1.220 272 Q HN 0.417 nan 8.270 nan 0.000 0.439 273 N N 1.530 120.254 118.700 0.040 0.000 2.405 273 N HA 0.028 4.768 4.740 -0.000 0.000 0.260 273 N C -0.143 175.421 175.510 0.089 0.000 1.152 273 N CA -0.464 52.621 53.050 0.059 0.000 0.948 273 N CB 0.511 39.035 38.487 0.061 0.000 1.111 273 N HN 0.590 nan 8.380 nan 0.000 0.485 274 C N 2.978 122.348 119.300 0.116 0.000 2.563 274 C HA 0.384 4.843 4.460 -0.000 0.000 0.268 274 C C 1.257 176.417 174.990 0.283 0.000 1.365 274 C CA 0.365 59.502 59.018 0.198 0.000 1.754 274 C CB -1.167 26.707 27.740 0.224 0.000 1.932 274 C HN 0.954 nan 8.230 nan 0.000 0.536 275 G N -1.435 107.466 108.800 0.167 0.000 2.356 275 G HA2 0.305 4.265 3.960 -0.000 0.000 0.266 275 G HA3 0.305 4.265 3.960 -0.000 0.000 0.266 275 G C -2.183 172.757 174.900 0.066 0.000 1.312 275 G CA -0.481 44.673 45.100 0.089 0.000 0.922 275 G HN -0.004 nan 8.290 nan 0.000 0.480 276 Y N 0.748 120.948 120.300 -0.168 0.000 2.442 276 Y HA 0.772 5.322 4.550 -0.001 0.000 0.344 276 Y C 0.195 176.000 175.900 -0.159 0.000 0.976 276 Y CA -0.883 57.142 58.100 -0.126 0.000 1.040 276 Y CB 1.973 40.369 38.460 -0.107 0.000 1.228 276 Y HN 0.679 nan 8.280 nan 0.000 0.451 277 R N 4.751 124.972 120.500 -0.464 0.000 2.346 277 R HA 0.491 4.831 4.340 -0.000 0.000 0.311 277 R C -0.494 175.591 176.300 -0.359 0.000 0.983 277 R CA -0.540 55.327 56.100 -0.389 0.000 0.880 277 R CB 0.768 30.922 30.300 -0.244 0.000 1.100 277 R HN 0.758 nan 8.270 nan 0.000 0.453 278 R N 3.303 123.598 120.500 -0.342 0.000 2.629 278 R HA 0.180 4.520 4.340 -0.000 0.000 0.408 278 R C -0.279 175.894 176.300 -0.210 0.000 1.057 278 R CA -0.053 55.948 56.100 -0.165 0.000 1.119 278 R CB 0.060 30.311 30.300 -0.081 0.000 1.403 278 R HN 0.781 nan 8.270 nan 0.000 0.576 279 C N -1.561 117.560 119.300 -0.300 0.000 3.295 279 C HA 0.663 5.123 4.460 -0.000 0.000 0.370 279 C C 0.114 175.046 174.990 -0.097 0.000 1.974 279 C CA -1.400 57.491 59.018 -0.211 0.000 1.282 279 C CB 1.237 28.785 27.740 -0.320 0.000 2.380 279 C HN 0.297 nan 8.230 nan 0.000 0.443 280 R N 1.262 121.756 120.500 -0.010 0.000 2.484 280 R HA 0.485 4.824 4.340 -0.000 0.000 0.293 280 R C 0.020 176.382 176.300 0.104 0.000 1.023 280 R CA 0.892 57.039 56.100 0.079 0.000 1.037 280 R CB -0.131 30.259 30.300 0.151 0.000 0.951 280 R HN 1.153 nan 8.270 nan 0.000 0.418 281 A N 3.736 126.631 122.820 0.124 0.000 2.362 281 A HA 0.227 4.546 4.320 -0.000 0.000 0.276 281 A C 0.930 178.617 177.584 0.171 0.000 1.153 281 A CA 0.026 52.155 52.037 0.155 0.000 0.813 281 A CB 0.424 19.524 19.000 0.166 0.000 1.081 281 A HN 1.007 nan 8.150 nan 0.000 0.507 282 S N 2.020 117.834 115.700 0.190 0.000 2.555 282 S HA 0.082 4.551 4.470 -0.000 0.000 0.230 282 S C 1.022 175.720 174.600 0.163 0.000 0.978 282 S CA 0.693 58.998 58.200 0.175 0.000 0.934 282 S CB 0.072 63.381 63.200 0.182 0.000 0.766 282 S HN 1.231 nan 8.310 nan 0.000 0.533 283 G N 1.677 110.598 108.800 0.202 0.000 4.433 283 G HA2 0.522 4.482 3.960 -0.000 0.000 0.304 283 G HA3 0.522 4.482 3.960 -0.000 0.000 0.304 283 G C -0.138 174.888 174.900 0.211 0.000 1.254 283 G CA -0.130 45.093 45.100 0.204 0.000 0.999 283 G HN 0.531 nan 8.290 nan 0.000 0.576 284 V N -2.421 117.600 119.914 0.178 0.000 3.103 284 V HA 0.594 4.713 4.120 -0.000 0.000 0.318 284 V C 1.366 177.536 176.094 0.126 0.000 1.114 284 V CA -0.957 61.464 62.300 0.201 0.000 1.020 284 V CB 1.681 33.682 31.823 0.296 0.000 1.085 284 V HN 0.066 nan 8.190 nan 0.000 0.446 285 L N 1.893 123.202 121.223 0.143 0.000 2.201 285 L HA -0.009 4.330 4.340 -0.000 0.000 0.212 285 L C 2.201 179.081 176.870 0.015 0.000 1.105 285 L CA 2.897 57.803 54.840 0.109 0.000 0.775 285 L CB -0.642 41.509 42.059 0.153 0.000 0.913 285 L HN 1.079 nan 8.230 nan 0.000 0.440 286 T N -6.015 108.472 114.554 -0.111 0.000 3.107 286 T HA 0.027 4.376 4.350 -0.000 0.000 0.249 286 T C 1.539 176.177 174.700 -0.103 0.000 1.096 286 T CA 0.655 62.636 62.100 -0.199 0.000 1.012 286 T CB -0.623 67.951 68.868 -0.491 0.000 0.977 286 T HN 0.235 nan 8.240 nan 0.000 0.527 287 T N 1.951 116.480 114.554 -0.042 0.000 2.652 287 T HA -0.145 4.205 4.350 -0.000 0.000 0.267 287 T C 2.215 176.926 174.700 0.019 0.000 1.039 287 T CA 1.769 63.880 62.100 0.017 0.000 1.153 287 T CB -0.603 68.298 68.868 0.055 0.000 0.863 287 T HN 0.543 nan 8.240 nan 0.000 0.428 288 S N -0.172 115.516 115.700 -0.020 0.000 2.345 288 S HA -0.148 4.321 4.470 -0.000 0.000 0.220 288 S C 2.457 177.069 174.600 0.019 0.000 1.031 288 S CA 1.434 59.611 58.200 -0.040 0.000 0.996 288 S CB -0.986 62.086 63.200 -0.215 0.000 0.882 288 S HN 0.660 nan 8.310 nan 0.000 0.445 289 C N 1.339 120.628 119.300 -0.017 0.000 2.413 289 C HA 0.076 4.536 4.460 -0.000 0.000 0.276 289 C C 2.801 177.843 174.990 0.086 0.000 1.248 289 C CA 1.146 60.179 59.018 0.026 0.000 1.742 289 C CB -1.833 25.885 27.740 -0.036 0.000 2.017 289 C HN 0.731 nan 8.230 nan 0.000 0.481 290 G N 0.323 109.180 108.800 0.094 0.000 2.404 290 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.215 290 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.215 290 G C 1.538 176.525 174.900 0.144 0.000 1.174 290 G CA 0.954 46.126 45.100 0.119 0.000 0.780 290 G HN 0.578 nan 8.290 nan 0.000 0.537 291 N N 0.498 119.274 118.700 0.126 0.000 2.120 291 N HA -0.085 4.654 4.740 -0.000 0.000 0.188 291 N C 2.410 177.929 175.510 0.015 0.000 1.024 291 N CA 1.644 54.740 53.050 0.078 0.000 0.852 291 N CB -0.749 37.648 38.487 -0.150 0.000 1.003 291 N HN 0.233 nan 8.380 nan 0.000 0.424 292 T N 1.867 116.457 114.554 0.060 0.000 2.708 292 T HA -0.021 4.328 4.350 -0.000 0.000 0.266 292 T C 2.139 176.921 174.700 0.137 0.000 1.037 292 T CA 0.694 62.858 62.100 0.107 0.000 1.146 292 T CB -0.273 68.732 68.868 0.230 0.000 0.865 292 T HN 0.138 nan 8.240 nan 0.000 0.435 293 L N 0.592 121.879 121.223 0.106 0.000 2.017 293 L HA -0.116 4.224 4.340 -0.000 0.000 0.208 293 L C 2.942 179.906 176.870 0.156 0.000 1.073 293 L CA 1.269 56.158 54.840 0.082 0.000 0.745 293 L CB -0.989 41.080 42.059 0.017 0.000 0.894 293 L HN 0.286 nan 8.230 nan 0.000 0.432 294 T N -1.436 113.235 114.554 0.195 0.000 2.821 294 T HA -0.216 4.134 4.350 -0.000 0.000 0.267 294 T C 1.997 176.897 174.700 0.333 0.000 1.046 294 T CA 1.358 63.606 62.100 0.247 0.000 1.139 294 T CB -0.407 68.646 68.868 0.310 0.000 0.871 294 T HN 0.443 nan 8.240 nan 0.000 0.454 295 C N 0.625 120.176 119.300 0.419 0.000 2.446 295 C HA -0.065 4.395 4.460 -0.000 0.000 0.277 295 C C 2.384 177.541 174.990 0.278 0.000 1.275 295 C CA 0.396 59.660 59.018 0.410 0.000 1.727 295 C CB -1.368 26.520 27.740 0.246 0.000 2.010 295 C HN 0.662 nan 8.230 nan 0.000 0.486 296 Y N 0.896 121.262 120.300 0.111 0.000 2.181 296 Y HA -0.108 4.442 4.550 0.000 0.000 0.288 296 Y C 2.141 178.058 175.900 0.028 0.000 1.146 296 Y CA 2.028 60.167 58.100 0.066 0.000 1.164 296 Y CB -0.451 38.032 38.460 0.038 0.000 0.982 296 Y HN 0.342 nan 8.280 nan 0.000 0.515 297 L N 0.987 122.299 121.223 0.148 0.000 2.005 297 L HA -0.153 4.187 4.340 -0.000 0.000 0.207 297 L C 2.102 178.881 176.870 -0.151 0.000 1.072 297 L CA 1.950 56.753 54.840 -0.061 0.000 0.744 297 L CB -0.929 41.054 42.059 -0.127 0.000 0.895 297 L HN 0.113 nan 8.230 nan 0.000 0.433 298 K N -0.276 120.100 120.400 -0.040 0.000 2.026 298 K HA -0.103 4.216 4.320 -0.000 0.000 0.208 298 K C 2.102 178.714 176.600 0.019 0.000 1.048 298 K CA 1.436 57.704 56.287 -0.032 0.000 0.929 298 K CB -0.500 32.072 32.500 0.121 0.000 0.713 298 K HN 0.492 nan 8.250 nan 0.000 0.439 299 A N 1.337 124.179 122.820 0.036 0.000 1.877 299 A HA -0.176 4.144 4.320 -0.000 0.000 0.216 299 A C 2.267 179.888 177.584 0.062 0.000 1.186 299 A CA 2.011 54.100 52.037 0.087 0.000 0.620 299 A CB -0.643 18.469 19.000 0.186 0.000 0.822 299 A HN 0.205 nan 8.150 nan 0.000 0.443 300 S N 0.033 115.644 115.700 -0.148 0.000 2.368 300 S HA -0.071 4.399 4.470 -0.000 0.000 0.225 300 S C 2.289 176.842 174.600 -0.078 0.000 1.030 300 S CA 1.272 59.347 58.200 -0.208 0.000 0.999 300 S CB -0.517 62.396 63.200 -0.477 0.000 0.844 300 S HN 0.814 nan 8.310 nan 0.000 0.459 301 A N 1.540 124.324 122.820 -0.059 0.000 1.930 301 A HA 0.163 4.483 4.320 -0.000 0.000 0.217 301 A C 2.354 180.027 177.584 0.147 0.000 1.175 301 A CA 1.602 53.666 52.037 0.046 0.000 0.627 301 A CB -1.026 17.963 19.000 -0.018 0.000 0.815 301 A HN 0.514 nan 8.150 nan 0.000 0.443 302 A N -1.069 121.853 122.820 0.170 0.000 1.933 302 A HA -0.163 4.157 4.320 -0.000 0.000 0.218 302 A C 2.270 179.916 177.584 0.103 0.000 1.175 302 A CA 1.606 53.641 52.037 -0.003 0.000 0.628 302 A CB -1.256 17.401 19.000 -0.572 0.000 0.814 302 A HN 0.581 nan 8.150 nan 0.000 0.444 303 C N -0.859 118.580 119.300 0.232 0.000 2.425 303 C HA -0.095 4.364 4.460 -0.000 0.000 0.277 303 C C 2.916 177.914 174.990 0.014 0.000 1.280 303 C CA 1.185 60.328 59.018 0.209 0.000 1.744 303 C CB -1.283 26.532 27.740 0.125 0.000 1.989 303 C HN 0.607 nan 8.230 nan 0.000 0.491 304 R N 0.854 121.277 120.500 -0.128 0.000 2.073 304 R HA -0.041 4.298 4.340 -0.000 0.000 0.229 304 R C 2.411 178.433 176.300 -0.464 0.000 1.120 304 R CA 1.477 57.367 56.100 -0.351 0.000 0.967 304 R CB -0.501 29.452 30.300 -0.578 0.000 0.862 304 R HN 0.524 nan 8.270 nan 0.000 0.436 305 A N 1.494 124.082 122.820 -0.387 0.000 1.877 305 A HA -0.071 4.248 4.320 -0.000 0.000 0.216 305 A C 2.289 179.853 177.584 -0.034 0.000 1.186 305 A CA 1.656 53.617 52.037 -0.127 0.000 0.620 305 A CB -0.564 18.446 19.000 0.016 0.000 0.822 305 A HN 0.377 nan 8.150 nan 0.000 0.443 306 A N -1.383 121.437 122.820 -0.000 0.000 2.209 306 A HA 0.183 4.502 4.320 -0.000 0.000 0.212 306 A C 1.006 178.605 177.584 0.025 0.000 1.158 306 A CA 0.996 53.058 52.037 0.042 0.000 0.742 306 A CB -0.499 18.587 19.000 0.143 0.000 0.790 306 A HN 0.522 nan 8.150 nan 0.000 0.472 307 K N -1.700 118.697 120.400 -0.004 0.000 3.125 307 K HA -0.152 4.168 4.320 -0.000 0.000 0.268 307 K C -1.005 175.597 176.600 0.003 0.000 1.078 307 K CA 0.181 56.464 56.287 -0.007 0.000 0.775 307 K CB -1.892 30.610 32.500 0.004 0.000 1.253 307 K HN 0.330 nan 8.250 nan 0.000 0.486 308 L N 1.601 122.832 121.223 0.014 0.000 2.426 308 L HA 0.062 4.402 4.340 -0.000 0.000 0.271 308 L C 0.943 177.811 176.870 -0.004 0.000 1.169 308 L CA 0.738 55.585 54.840 0.012 0.000 0.836 308 L CB 0.699 42.775 42.059 0.028 0.000 1.112 308 L HN 0.084 nan 8.230 nan 0.000 0.465 309 Q N 2.181 121.975 119.800 -0.011 0.000 2.278 309 Q HA 0.110 4.450 4.340 -0.000 0.000 0.257 309 Q C -0.173 175.809 176.000 -0.029 0.000 0.928 309 Q CA -0.426 55.366 55.803 -0.019 0.000 0.932 309 Q CB 0.914 29.639 28.738 -0.022 0.000 1.221 309 Q HN 0.556 nan 8.270 nan 0.000 0.434 310 D N 1.075 121.459 120.400 -0.026 0.000 2.704 310 D HA -0.187 4.453 4.640 -0.000 0.000 0.232 310 D C -0.726 175.550 176.300 -0.039 0.000 1.183 310 D CA 0.304 54.286 54.000 -0.031 0.000 0.647 310 D CB -0.934 39.842 40.800 -0.041 0.000 1.013 310 D HN 0.630 nan 8.370 nan 0.000 0.415 311 C N 0.326 119.607 119.300 -0.031 0.000 2.540 311 C HA 0.618 5.078 4.460 -0.000 0.000 0.377 311 C C 0.878 175.848 174.990 -0.033 0.000 1.274 311 C CA -0.937 58.056 59.018 -0.042 0.000 1.718 311 C CB -0.182 27.538 27.740 -0.034 0.000 2.391 311 C HN 0.402 nan 8.230 nan 0.000 0.565 312 T N 5.775 120.305 114.554 -0.041 0.000 2.799 312 T HA 0.551 4.901 4.350 -0.000 0.000 0.286 312 T C -0.018 174.691 174.700 0.016 0.000 0.973 312 T CA -0.061 62.045 62.100 0.010 0.000 1.035 312 T CB 0.904 69.763 68.868 -0.014 0.000 0.932 312 T HN 0.711 nan 8.240 nan 0.000 0.469 313 M N 2.801 122.462 119.600 0.101 0.000 2.664 313 M HA 0.652 5.132 4.480 -0.000 0.000 0.314 313 M C -1.323 175.112 176.300 0.224 0.000 1.200 313 M CA -1.063 54.295 55.300 0.098 0.000 0.916 313 M CB 2.021 34.656 32.600 0.059 0.000 1.717 313 M HN 0.321 nan 8.290 nan 0.000 0.470 314 L N 2.280 123.596 121.223 0.154 0.000 2.446 314 L HA 0.656 4.995 4.340 -0.000 0.000 0.268 314 L C -1.685 175.204 176.870 0.031 0.000 0.975 314 L CA -0.428 54.502 54.840 0.149 0.000 0.848 314 L CB 1.741 43.923 42.059 0.204 0.000 1.225 314 L HN 0.466 nan 8.230 nan 0.000 0.410 315 V N 4.347 124.258 119.914 -0.006 0.000 2.555 315 V HA 0.608 4.728 4.120 -0.000 0.000 0.302 315 V C -0.688 175.231 176.094 -0.292 0.000 1.038 315 V CA -0.610 61.657 62.300 -0.055 0.000 0.887 315 V CB 2.034 33.917 31.823 0.100 0.000 0.991 315 V HN 0.803 nan 8.190 nan 0.000 0.434 316 N N 3.376 121.856 118.700 -0.366 0.000 2.609 316 N HA 0.605 5.345 4.740 -0.000 0.000 0.268 316 N C 0.477 175.829 175.510 -0.262 0.000 1.106 316 N CA 0.500 53.095 53.050 -0.759 0.000 0.823 316 N CB 1.732 39.685 38.487 -0.890 0.000 1.263 316 N HN 1.070 nan 8.380 nan 0.000 0.533 317 G N 2.376 111.177 108.800 0.000 0.000 2.591 317 G HA2 -0.401 3.559 3.960 -0.000 0.000 0.298 317 G HA3 -0.401 3.559 3.960 -0.000 0.000 0.298 317 G C 0.567 175.316 174.900 -0.252 0.000 1.195 317 G CA 0.776 45.876 45.100 0.001 0.000 0.989 317 G HN 0.619 nan 8.290 nan 0.000 0.551 318 D N 1.146 121.325 120.400 -0.369 0.000 2.349 318 D HA 0.072 4.712 4.640 -0.000 0.000 0.215 318 D C 0.480 176.693 176.300 -0.145 0.000 1.016 318 D CA 0.899 54.553 54.000 -0.578 0.000 0.870 318 D CB -0.158 40.313 40.800 -0.549 0.000 0.917 318 D HN 0.407 nan 8.370 nan 0.000 0.524 319 D N 0.709 121.057 120.400 -0.087 0.000 2.295 319 D HA 0.261 4.901 4.640 -0.000 0.000 0.248 319 D C -0.900 175.394 176.300 -0.010 0.000 1.154 319 D CA -0.468 53.519 54.000 -0.022 0.000 0.857 319 D CB 0.964 41.740 40.800 -0.040 0.000 1.117 319 D HN 0.079 nan 8.370 nan 0.000 0.468 320 L N 5.008 126.270 121.223 0.064 0.000 2.386 320 L HA 0.542 4.881 4.340 -0.000 0.000 0.271 320 L C -1.688 175.187 176.870 0.008 0.000 0.993 320 L CA -0.727 54.155 54.840 0.071 0.000 0.819 320 L CB 1.970 44.145 42.059 0.193 0.000 1.294 320 L HN 0.140 nan 8.230 nan 0.000 0.414 321 V N 5.997 125.868 119.914 -0.072 0.000 2.638 321 V HA 0.784 4.904 4.120 -0.000 0.000 0.306 321 V C -1.519 174.408 176.094 -0.279 0.000 1.052 321 V CA -0.307 61.885 62.300 -0.180 0.000 0.885 321 V CB 2.223 33.983 31.823 -0.105 0.000 0.999 321 V HN 0.613 nan 8.190 nan 0.000 0.424 322 V N 7.722 127.277 119.914 -0.599 0.000 2.604 322 V HA 0.609 4.728 4.120 -0.000 0.000 0.305 322 V C -0.328 175.507 176.094 -0.432 0.000 1.043 322 V CA -0.483 61.464 62.300 -0.588 0.000 0.888 322 V CB 1.868 33.126 31.823 -0.942 0.000 0.995 322 V HN 0.787 nan 8.190 nan 0.000 0.429 323 I N 4.821 125.267 120.570 -0.207 0.000 2.447 323 I HA 0.616 4.785 4.170 -0.000 0.000 0.287 323 I C -0.064 175.985 176.117 -0.114 0.000 1.023 323 I CA -0.287 60.949 61.300 -0.106 0.000 1.083 323 I CB 1.586 39.561 38.000 -0.041 0.000 1.245 323 I HN 0.884 nan 8.210 nan 0.000 0.434 324 C N 2.576 121.815 119.300 -0.103 0.000 3.308 324 C HA 0.602 5.062 4.460 -0.000 0.000 0.360 324 C C -0.375 174.544 174.990 -0.119 0.000 1.695 324 C CA -0.880 58.084 59.018 -0.089 0.000 1.366 324 C CB 1.783 29.501 27.740 -0.037 0.000 2.121 324 C HN 0.587 nan 8.230 nan 0.000 0.442 325 E N 1.818 121.965 120.200 -0.088 0.000 2.259 325 E HA 0.307 4.657 4.350 -0.000 0.000 0.281 325 E C 0.103 176.673 176.600 -0.051 0.000 1.037 325 E CA 0.489 56.835 56.400 -0.090 0.000 0.854 325 E CB 1.674 31.333 29.700 -0.069 0.000 1.051 325 E HN 0.711 nan 8.360 nan 0.000 0.409 326 S N 1.743 117.419 115.700 -0.040 0.000 2.579 326 S HA 0.322 4.792 4.470 -0.000 0.000 0.275 326 S C 0.342 174.951 174.600 0.014 0.000 1.345 326 S CA 0.249 58.471 58.200 0.037 0.000 1.031 326 S CB 0.589 63.860 63.200 0.119 0.000 0.892 326 S HN 0.522 nan 8.310 nan 0.000 0.529 327 A N 2.370 125.209 122.820 0.030 0.000 2.605 327 A HA 0.651 4.971 4.320 -0.000 0.000 0.292 327 A C 0.616 178.203 177.584 0.005 0.000 1.055 327 A CA 0.196 52.237 52.037 0.007 0.000 0.969 327 A CB -0.474 18.528 19.000 0.004 0.000 1.236 327 A HN 1.930 nan 8.150 nan 0.000 0.534 328 G N -1.295 107.510 108.800 0.008 0.000 3.067 328 G HA2 0.148 4.107 3.960 -0.000 0.000 0.686 328 G HA3 0.148 4.107 3.960 -0.000 0.000 0.686 328 G C 0.615 175.526 174.900 0.018 0.000 1.119 328 G CA -0.002 45.086 45.100 -0.020 0.000 0.790 328 G HN 1.312 nan 8.290 nan 0.000 0.605 329 V N 2.116 122.013 119.914 -0.028 0.000 2.250 329 V HA -0.291 3.829 4.120 -0.000 0.000 0.253 329 V C 2.661 178.798 176.094 0.071 0.000 1.065 329 V CA 3.230 65.569 62.300 0.065 0.000 1.039 329 V CB -0.303 31.501 31.823 -0.032 0.000 0.647 329 V HN 0.838 nan 8.190 nan 0.000 0.446 330 Q N -0.514 119.300 119.800 0.023 0.000 2.084 330 Q HA -0.236 4.104 4.340 -0.000 0.000 0.202 330 Q C 2.222 178.232 176.000 0.015 0.000 0.978 330 Q CA 2.256 58.069 55.803 0.017 0.000 0.844 330 Q CB -0.526 28.213 28.738 0.003 0.000 0.898 330 Q HN 0.811 nan 8.270 nan 0.000 0.426 331 E N 1.161 121.370 120.200 0.014 0.000 2.072 331 E HA -0.140 4.210 4.350 -0.000 0.000 0.191 331 E C 1.418 178.023 176.600 0.009 0.000 0.985 331 E CA 1.148 57.552 56.400 0.008 0.000 0.801 331 E CB -0.094 29.610 29.700 0.005 0.000 0.750 331 E HN 0.221 nan 8.360 nan 0.000 0.452 332 D N -0.016 120.403 120.400 0.031 0.000 2.149 332 D HA -0.162 4.478 4.640 -0.000 0.000 0.198 332 D C 1.736 178.018 176.300 -0.030 0.000 0.990 332 D CA 1.496 55.505 54.000 0.014 0.000 0.839 332 D CB -0.421 40.430 40.800 0.084 0.000 0.948 332 D HN 0.311 nan 8.370 nan 0.000 0.460 333 A N 1.074 123.893 122.820 -0.002 0.000 1.933 333 A HA -0.076 4.243 4.320 -0.000 0.000 0.218 333 A C 2.330 179.893 177.584 -0.034 0.000 1.175 333 A CA 2.243 54.267 52.037 -0.022 0.000 0.628 333 A CB -0.623 18.380 19.000 0.005 0.000 0.814 333 A HN 0.251 nan 8.150 nan 0.000 0.444 334 A N -0.745 122.064 122.820 -0.019 0.000 1.873 334 A HA -0.046 4.274 4.320 -0.000 0.000 0.215 334 A C 2.437 180.007 177.584 -0.024 0.000 1.186 334 A CA 1.953 53.980 52.037 -0.017 0.000 0.616 334 A CB -0.937 18.058 19.000 -0.009 0.000 0.823 334 A HN 0.436 nan 8.150 nan 0.000 0.442 335 S N -0.106 115.575 115.700 -0.031 0.000 2.383 335 S HA -0.115 4.355 4.470 -0.000 0.000 0.229 335 S C 1.797 176.367 174.600 -0.050 0.000 1.030 335 S CA 1.243 59.425 58.200 -0.031 0.000 1.002 335 S CB -0.303 62.874 63.200 -0.039 0.000 0.829 335 S HN 0.403 nan 8.310 nan 0.000 0.467 336 L N 1.036 122.181 121.223 -0.130 0.000 2.093 336 L HA 0.026 4.366 4.340 -0.000 0.000 0.208 336 L C 2.367 179.221 176.870 -0.028 0.000 1.085 336 L CA 1.580 56.300 54.840 -0.200 0.000 0.755 336 L CB -0.983 40.886 42.059 -0.317 0.000 0.904 336 L HN 0.235 nan 8.230 nan 0.000 0.435 337 R N -0.681 119.807 120.500 -0.020 0.000 2.115 337 R HA -0.046 4.293 4.340 -0.000 0.000 0.230 337 R C 2.297 178.603 176.300 0.009 0.000 1.111 337 R CA 1.215 57.318 56.100 0.005 0.000 0.976 337 R CB -0.220 30.077 30.300 -0.006 0.000 0.870 337 R HN 0.355 nan 8.270 nan 0.000 0.445 338 A N -0.153 122.674 122.820 0.011 0.000 1.929 338 A HA -0.124 4.196 4.320 -0.000 0.000 0.216 338 A C 1.892 179.479 177.584 0.004 0.000 1.176 338 A CA 0.777 52.815 52.037 0.001 0.000 0.628 338 A CB -0.535 18.470 19.000 0.009 0.000 0.816 338 A HN 0.367 nan 8.150 nan 0.000 0.444 339 F N 1.405 121.295 119.950 -0.100 0.000 2.075 339 F HA -0.149 4.377 4.527 -0.001 0.000 0.297 339 F C 2.451 178.171 175.800 -0.133 0.000 1.113 339 F CA 2.357 60.290 58.000 -0.111 0.000 1.218 339 F CB -0.659 38.271 39.000 -0.117 0.000 0.984 339 F HN 0.191 nan 8.300 nan 0.000 0.472 340 T N -0.083 114.492 114.554 0.034 0.000 2.788 340 T HA -0.201 4.149 4.350 -0.000 0.000 0.268 340 T C 1.757 176.407 174.700 -0.085 0.000 1.044 340 T CA 1.743 63.859 62.100 0.028 0.000 1.139 340 T CB -0.333 68.656 68.868 0.202 0.000 0.867 340 T HN 0.379 nan 8.240 nan 0.000 0.454 341 E N 0.640 120.782 120.200 -0.097 0.000 2.077 341 E HA -0.049 4.301 4.350 -0.000 0.000 0.193 341 E C 2.509 178.964 176.600 -0.242 0.000 0.989 341 E CA 0.947 57.271 56.400 -0.126 0.000 0.800 341 E CB -0.168 29.476 29.700 -0.093 0.000 0.746 341 E HN 0.479 nan 8.360 nan 0.000 0.452 342 A N 0.988 123.607 122.820 -0.335 0.000 1.873 342 A HA -0.183 4.136 4.320 -0.000 0.000 0.215 342 A C 2.127 179.278 177.584 -0.721 0.000 1.186 342 A CA 1.218 52.918 52.037 -0.563 0.000 0.616 342 A CB -0.331 18.383 19.000 -0.476 0.000 0.823 342 A HN 0.138 nan 8.150 nan 0.000 0.442 343 M N -0.117 119.161 119.600 -0.538 0.000 2.149 343 M HA -0.128 4.352 4.480 -0.000 0.000 0.261 343 M C 2.137 178.350 176.300 -0.146 0.000 1.064 343 M CA 2.041 57.150 55.300 -0.319 0.000 1.102 343 M CB -1.925 30.393 32.600 -0.470 0.000 1.369 343 M HN 0.453 nan 8.290 nan 0.000 0.408 344 T N -0.139 114.323 114.554 -0.154 0.000 2.821 344 T HA -0.085 4.264 4.350 -0.000 0.000 0.267 344 T C 1.981 176.606 174.700 -0.124 0.000 1.046 344 T CA 0.996 63.044 62.100 -0.086 0.000 1.139 344 T CB -0.136 68.690 68.868 -0.069 0.000 0.871 344 T HN 0.381 nan 8.240 nan 0.000 0.454 345 R N -0.000 120.356 120.500 -0.239 0.000 2.115 345 R HA -0.032 4.308 4.340 -0.000 0.000 0.230 345 R C 1.555 177.774 176.300 -0.135 0.000 1.111 345 R CA 1.004 56.965 56.100 -0.232 0.000 0.976 345 R CB -0.230 29.863 30.300 -0.346 0.000 0.870 345 R HN 0.422 nan 8.270 nan 0.000 0.445 346 Y N 0.174 120.412 120.300 -0.103 0.000 2.553 346 Y HA 0.076 4.626 4.550 0.001 0.000 0.303 346 Y C 0.877 176.724 175.900 -0.089 0.000 1.194 346 Y CA -0.296 57.739 58.100 -0.108 0.000 1.305 346 Y CB -0.243 38.184 38.460 -0.056 0.000 1.045 346 Y HN -0.044 nan 8.280 nan 0.000 0.514 347 S N -0.189 115.540 115.700 0.048 0.000 3.968 347 S HA -0.109 4.361 4.470 -0.000 0.000 0.373 347 S C 0.007 174.615 174.600 0.014 0.000 0.974 347 S CA 0.466 58.678 58.200 0.020 0.000 1.124 347 S CB -1.415 61.789 63.200 0.006 0.000 0.862 347 S HN 0.705 nan 8.310 nan 0.000 0.492 348 A N 1.817 124.659 122.820 0.037 0.000 3.415 348 A HA 0.554 4.874 4.320 -0.000 0.000 0.244 348 A C -2.226 175.453 177.584 0.157 0.000 0.988 348 A CA -0.628 51.451 52.037 0.071 0.000 0.991 348 A CB 0.806 19.878 19.000 0.119 0.000 1.240 348 A HN 0.467 nan 8.150 nan 0.000 0.541 349 P HA 0.209 nan 4.420 nan 0.000 0.269 349 P C -2.912 174.425 177.300 0.062 0.000 1.209 349 P CA -0.649 62.484 63.100 0.055 0.000 0.776 349 P CB 0.614 32.276 31.700 -0.063 0.000 0.876 350 P HA 0.106 nan 4.420 nan 0.000 0.282 350 P C 0.815 178.045 177.300 -0.116 0.000 1.249 350 P CA -0.024 62.965 63.100 -0.184 0.000 0.806 350 P CB 1.118 32.689 31.700 -0.214 0.000 0.984 351 G N 2.642 111.366 108.800 -0.126 0.000 2.456 351 G HA2 -0.030 3.930 3.960 -0.000 0.000 0.213 351 G HA3 -0.030 3.930 3.960 -0.000 0.000 0.213 351 G C 0.022 174.883 174.900 -0.064 0.000 1.215 351 G CA 0.384 45.444 45.100 -0.067 0.000 0.805 351 G HN 0.480 nan 8.290 nan 0.000 0.537 352 D N 1.503 121.858 120.400 -0.076 0.000 2.217 352 D HA 0.331 4.970 4.640 -0.000 0.000 0.243 352 D C -2.349 173.919 176.300 -0.053 0.000 1.054 352 D CA -1.144 52.826 54.000 -0.049 0.000 0.838 352 D CB 1.877 42.658 40.800 -0.033 0.000 1.162 352 D HN 0.087 nan 8.370 nan 0.000 0.472 353 P HA 0.083 nan 4.420 nan 0.000 0.264 353 P C -2.361 174.957 177.300 0.031 0.000 1.193 353 P CA -0.827 62.280 63.100 0.012 0.000 0.763 353 P CB -0.246 31.462 31.700 0.013 0.000 0.810 354 P HA 0.102 nan 4.420 nan 0.000 0.271 354 P C -0.571 176.734 177.300 0.008 0.000 1.216 354 P CA 0.172 63.341 63.100 0.116 0.000 0.771 354 P CB 0.909 32.763 31.700 0.257 0.000 0.864 355 Q N 4.554 124.374 119.800 0.033 0.000 2.340 355 Q HA 0.419 4.759 4.340 -0.000 0.000 0.268 355 Q C -2.474 173.523 176.000 -0.005 0.000 1.031 355 Q CA -2.442 53.360 55.803 -0.002 0.000 0.804 355 Q CB 2.235 30.985 28.738 0.021 0.000 1.286 355 Q HN 0.316 nan 8.270 nan 0.000 0.448 356 P HA 0.127 nan 4.420 nan 0.000 0.271 356 P C -0.988 176.174 177.300 -0.230 0.000 1.216 356 P CA 0.066 63.080 63.100 -0.144 0.000 0.776 356 P CB 1.060 32.666 31.700 -0.157 0.000 0.881 357 E N 1.812 121.816 120.200 -0.326 0.000 2.266 357 E HA 0.235 4.585 4.350 -0.000 0.000 0.268 357 E C -0.607 175.766 176.600 -0.378 0.000 0.879 357 E CA -0.475 55.769 56.400 -0.259 0.000 0.762 357 E CB 1.530 31.201 29.700 -0.049 0.000 1.199 357 E HN 0.428 nan 8.360 nan 0.000 0.422 358 Y N -0.335 120.119 120.300 0.257 0.000 2.500 358 Y HA 0.181 4.731 4.550 -0.001 0.000 0.246 358 Y C 0.332 176.488 175.900 0.426 0.000 1.146 358 Y CA -0.385 57.938 58.100 0.371 0.000 1.230 358 Y CB 1.064 39.635 38.460 0.185 0.000 1.214 358 Y HN 0.226 nan 8.280 nan 0.000 0.526 359 D N 0.900 121.437 120.400 0.228 0.000 2.454 359 D HA 0.096 4.736 4.640 -0.000 0.000 0.247 359 D C 0.967 177.030 176.300 -0.395 0.000 1.129 359 D CA -0.205 53.787 54.000 -0.012 0.000 0.877 359 D CB 1.459 42.271 40.800 0.019 0.000 1.082 359 D HN 0.166 nan 8.370 nan 0.000 0.537 360 L N 4.544 125.161 121.223 -1.010 0.000 2.051 360 L HA -0.195 4.145 4.340 -0.000 0.000 0.214 360 L C 1.634 178.170 176.870 -0.557 0.000 1.076 360 L CA 2.053 56.161 54.840 -1.219 0.000 0.758 360 L CB -0.317 40.816 42.059 -1.543 0.000 0.890 360 L HN 0.473 nan 8.230 nan 0.000 0.433 361 E N -0.799 119.177 120.200 -0.373 0.000 2.265 361 E HA -0.173 4.177 4.350 -0.000 0.000 0.196 361 E C 2.008 178.515 176.600 -0.155 0.000 0.996 361 E CA 1.021 57.292 56.400 -0.215 0.000 0.832 361 E CB -0.196 29.424 29.700 -0.132 0.000 0.756 361 E HN 0.571 nan 8.360 nan 0.000 0.491 362 L N 0.771 121.903 121.223 -0.151 0.000 2.591 362 L HA 0.156 4.496 4.340 -0.000 0.000 0.228 362 L C 0.734 177.552 176.870 -0.086 0.000 1.133 362 L CA -0.093 54.695 54.840 -0.088 0.000 0.880 362 L CB 0.137 42.168 42.059 -0.047 0.000 1.033 362 L HN 0.035 nan 8.230 nan 0.000 0.450 363 I N 0.323 120.813 120.570 -0.133 0.000 2.352 363 I HA 0.083 4.253 4.170 -0.000 0.000 0.290 363 I C -0.012 176.058 176.117 -0.080 0.000 1.036 363 I CA 0.189 61.430 61.300 -0.099 0.000 1.336 363 I CB 1.245 39.166 38.000 -0.131 0.000 1.407 363 I HN -0.078 nan 8.210 nan 0.000 0.497 364 T N 5.100 119.628 114.554 -0.043 0.000 2.770 364 T HA 0.370 4.719 4.350 -0.000 0.000 0.297 364 T C -0.159 174.533 174.700 -0.014 0.000 0.997 364 T CA -0.620 61.464 62.100 -0.028 0.000 0.949 364 T CB 0.783 69.641 68.868 -0.017 0.000 0.941 364 T HN 0.705 nan 8.240 nan 0.000 0.457 365 S N 1.001 116.693 115.700 -0.013 0.000 2.521 365 S HA 0.449 4.918 4.470 -0.000 0.000 0.295 365 S C 0.296 174.904 174.600 0.014 0.000 1.098 365 S CA -0.778 57.417 58.200 -0.008 0.000 0.999 365 S CB 0.774 63.956 63.200 -0.030 0.000 1.034 365 S HN 0.863 nan 8.310 nan 0.000 0.483 366 C N 2.231 121.542 119.300 0.019 0.000 4.350 366 C HA -0.180 4.280 4.460 -0.000 0.000 0.302 366 C C 1.310 176.354 174.990 0.091 0.000 1.390 366 C CA 0.755 59.803 59.018 0.051 0.000 2.016 366 C CB -3.189 24.578 27.740 0.045 0.000 1.271 366 C HN 1.549 nan 8.230 nan 0.000 0.760 367 S N -1.224 114.514 115.700 0.063 0.000 3.445 367 S HA -0.199 4.271 4.470 -0.000 0.000 0.319 367 S C 0.316 174.949 174.600 0.056 0.000 1.209 367 S CA 1.271 59.504 58.200 0.054 0.000 0.934 367 S CB -0.736 62.508 63.200 0.072 0.000 0.999 367 S HN 1.004 nan 8.310 nan 0.000 0.582 368 S N 1.441 117.181 115.700 0.067 0.000 2.704 368 S HA 0.808 5.278 4.470 -0.000 0.000 0.296 368 S C -0.413 174.199 174.600 0.020 0.000 1.138 368 S CA -0.868 57.380 58.200 0.081 0.000 0.875 368 S CB 1.865 65.184 63.200 0.198 0.000 1.151 368 S HN 0.617 nan 8.310 nan 0.000 0.500 369 N N -0.883 117.817 118.700 0.000 0.000 2.591 369 N HA 0.385 5.125 4.740 -0.000 0.000 0.263 369 N C -1.709 173.734 175.510 -0.111 0.000 1.308 369 N CA -0.548 52.463 53.050 -0.065 0.000 0.837 369 N CB 1.078 39.518 38.487 -0.079 0.000 1.548 369 N HN 0.343 nan 8.380 nan 0.000 0.493 370 V N 0.542 120.361 119.914 -0.158 0.000 2.649 370 V HA 0.455 4.575 4.120 -0.000 0.000 0.292 370 V C 0.411 176.368 176.094 -0.228 0.000 1.055 370 V CA 0.102 62.284 62.300 -0.196 0.000 1.023 370 V CB 1.071 32.772 31.823 -0.204 0.000 0.992 370 V HN 0.842 nan 8.190 nan 0.000 0.480 371 S N 2.461 117.945 115.700 -0.361 0.000 2.685 371 S HA 0.777 5.247 4.470 -0.000 0.000 0.282 371 S C -1.383 173.095 174.600 -0.203 0.000 1.159 371 S CA -0.430 57.574 58.200 -0.326 0.000 0.833 371 S CB 2.048 64.971 63.200 -0.461 0.000 1.151 371 S HN 0.691 nan 8.310 nan 0.000 0.485 372 V N 1.185 121.097 119.914 -0.003 0.000 2.789 372 V HA 0.990 5.110 4.120 -0.000 0.000 0.311 372 V C -0.278 175.819 176.094 0.006 0.000 1.073 372 V CA 0.293 62.558 62.300 -0.057 0.000 0.921 372 V CB 1.176 32.818 31.823 -0.301 0.000 1.009 372 V HN 1.287 nan 8.190 nan 0.000 0.426 373 A N 4.400 127.081 122.820 -0.232 0.000 2.566 373 A HA 0.972 5.292 4.320 -0.000 0.000 0.291 373 A C -1.542 175.644 177.584 -0.663 0.000 1.278 373 A CA -0.518 51.242 52.037 -0.461 0.000 0.711 373 A CB 1.612 20.087 19.000 -0.876 0.000 1.332 373 A HN 1.032 nan 8.150 nan 0.000 0.478 374 H N -0.300 118.389 119.070 -0.636 0.000 2.768 374 H HA 0.527 5.083 4.556 -0.001 0.000 0.371 374 H C -1.035 173.896 175.328 -0.661 0.000 1.151 374 H CA -0.270 55.409 56.048 -0.616 0.000 1.165 374 H CB 1.450 30.806 29.762 -0.676 0.000 1.722 374 H HN 0.823 nan 8.280 nan 0.000 0.543 375 D N 0.298 120.565 120.400 -0.222 0.000 2.529 375 D HA 0.424 5.064 4.640 -0.000 0.000 0.273 375 D C 1.300 177.679 176.300 0.130 0.000 1.197 375 D CA -0.409 53.549 54.000 -0.071 0.000 1.070 375 D CB 0.451 41.222 40.800 -0.048 0.000 1.134 375 D HN 0.501 nan 8.370 nan 0.000 0.590 376 A N -0.100 122.805 122.820 0.141 0.000 1.903 376 A HA -0.210 4.110 4.320 -0.000 0.000 0.219 376 A C 2.095 179.756 177.584 0.129 0.000 1.191 376 A CA 2.238 54.364 52.037 0.148 0.000 0.638 376 A CB -1.289 17.764 19.000 0.089 0.000 0.823 376 A HN 0.481 nan 8.150 nan 0.000 0.451 377 S N -1.851 113.903 115.700 0.090 0.000 2.515 377 S HA 0.279 4.749 4.470 -0.000 0.000 0.231 377 S C 1.542 176.195 174.600 0.088 0.000 0.987 377 S CA 1.185 59.426 58.200 0.069 0.000 0.936 377 S CB -0.153 63.073 63.200 0.042 0.000 0.766 377 S HN 1.747 nan 8.310 nan 0.000 0.528 378 G N 1.595 110.478 108.800 0.139 0.000 2.175 378 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.244 378 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.244 378 G C 0.093 175.083 174.900 0.151 0.000 0.982 378 G CA 0.260 45.460 45.100 0.167 0.000 0.641 378 G HN 0.538 nan 8.290 nan 0.000 0.527 379 K N 1.034 121.464 120.400 0.050 0.000 2.401 379 K HA 0.396 4.715 4.320 -0.000 0.000 0.278 379 K C 0.823 177.323 176.600 -0.168 0.000 1.018 379 K CA -0.537 55.736 56.287 -0.024 0.000 0.981 379 K CB 0.268 32.747 32.500 -0.035 0.000 0.933 379 K HN 0.330 nan 8.250 nan 0.000 0.477 380 R N 1.924 122.266 120.500 -0.264 0.000 2.537 380 R HA 0.134 4.474 4.340 -0.000 0.000 0.280 380 R C -0.556 175.470 176.300 -0.457 0.000 1.058 380 R CA -0.274 55.494 56.100 -0.553 0.000 1.057 380 R CB 1.089 31.100 30.300 -0.483 0.000 0.973 380 R HN 0.406 nan 8.270 nan 0.000 0.438 381 V N 4.582 124.182 119.914 -0.524 0.000 2.623 381 V HA 0.364 4.484 4.120 -0.000 0.000 0.304 381 V C -1.505 174.409 176.094 -0.301 0.000 1.054 381 V CA -0.793 61.307 62.300 -0.334 0.000 0.882 381 V CB 1.337 33.029 31.823 -0.218 0.000 1.002 381 V HN 0.612 nan 8.190 nan 0.000 0.424 382 Y N 7.704 127.984 120.300 -0.034 0.000 2.316 382 Y HA 0.673 5.222 4.550 -0.001 0.000 0.331 382 Y C 0.101 176.046 175.900 0.075 0.000 1.083 382 Y CA 0.135 58.227 58.100 -0.013 0.000 1.206 382 Y CB 1.137 39.553 38.460 -0.074 0.000 1.195 382 Y HN 0.834 nan 8.280 nan 0.000 0.497 383 Y N 0.854 121.191 120.300 0.061 0.000 2.644 383 Y HA 0.716 5.266 4.550 0.000 0.000 0.338 383 Y C -2.082 173.859 175.900 0.068 0.000 1.119 383 Y CA -2.209 55.910 58.100 0.032 0.000 1.060 383 Y CB 0.728 39.173 38.460 -0.026 0.000 1.294 383 Y HN 0.439 nan 8.280 nan 0.000 0.472 384 L N 1.970 123.220 121.223 0.044 0.000 2.289 384 L HA 0.743 5.083 4.340 -0.000 0.000 0.285 384 L C -0.014 176.989 176.870 0.222 0.000 1.049 384 L CA 0.440 55.305 54.840 0.042 0.000 0.804 384 L CB 1.366 43.505 42.059 0.133 0.000 1.195 384 L HN 1.046 nan 8.230 nan 0.000 0.428 385 T N 4.225 118.858 114.554 0.131 0.000 2.654 385 T HA 0.862 5.212 4.350 -0.000 0.000 0.289 385 T C -1.235 173.535 174.700 0.116 0.000 1.062 385 T CA -0.523 61.728 62.100 0.252 0.000 1.041 385 T CB 1.120 70.125 68.868 0.228 0.000 1.417 385 T HN 0.860 nan 8.240 nan 0.000 0.510 386 R N 0.228 120.756 120.500 0.046 0.000 2.752 386 R HA 0.438 4.778 4.340 -0.000 0.000 0.277 386 R C -1.726 174.407 176.300 -0.278 0.000 1.024 386 R CA -0.994 55.029 56.100 -0.128 0.000 0.866 386 R CB 0.243 30.404 30.300 -0.232 0.000 1.278 386 R HN 0.504 nan 8.270 nan 0.000 0.473 387 D N 1.841 122.076 120.400 -0.275 0.000 2.371 387 D HA 0.096 4.736 4.640 -0.000 0.000 0.256 387 D C -1.397 174.564 176.300 -0.566 0.000 1.193 387 D CA -1.587 52.213 54.000 -0.333 0.000 0.881 387 D CB 1.363 42.048 40.800 -0.192 0.000 1.143 387 D HN 0.343 nan 8.370 nan 0.000 0.473 388 P HA -0.012 nan 4.420 nan 0.000 0.245 388 P C 1.089 178.089 177.300 -0.500 0.000 1.212 388 P CA 0.143 62.610 63.100 -1.055 0.000 0.774 388 P CB 0.382 31.294 31.700 -1.312 0.000 0.999 389 T N 0.019 114.386 114.554 -0.312 0.000 2.622 389 T HA -0.119 4.231 4.350 -0.000 0.000 0.266 389 T C 1.815 176.458 174.700 -0.094 0.000 1.047 389 T CA 2.326 64.336 62.100 -0.151 0.000 1.159 389 T CB -1.053 67.766 68.868 -0.083 0.000 0.863 389 T HN 0.198 nan 8.240 nan 0.000 0.422 390 T N 2.170 116.676 114.554 -0.080 0.000 2.746 390 T HA -0.050 4.300 4.350 -0.000 0.000 0.267 390 T C -0.616 174.057 174.700 -0.046 0.000 1.039 390 T CA 1.131 63.219 62.100 -0.020 0.000 1.142 390 T CB -1.100 67.792 68.868 0.040 0.000 0.866 390 T HN 0.332 nan 8.240 nan 0.000 0.444 391 P HA 0.048 nan 4.420 nan 0.000 0.216 391 P C 1.504 178.831 177.300 0.045 0.000 1.153 391 P CA 0.819 63.909 63.100 -0.016 0.000 0.848 391 P CB -0.120 31.517 31.700 -0.105 0.000 0.787 392 L N -1.395 119.812 121.223 -0.027 0.000 2.109 392 L HA -0.100 4.239 4.340 -0.000 0.000 0.207 392 L C 2.398 179.308 176.870 0.067 0.000 1.086 392 L CA 1.298 56.152 54.840 0.023 0.000 0.760 392 L CB -1.019 41.014 42.059 -0.044 0.000 0.910 392 L HN -0.050 nan 8.230 nan 0.000 0.437 393 A N 0.302 123.151 122.820 0.048 0.000 1.898 393 A HA -0.183 4.136 4.320 -0.000 0.000 0.216 393 A C 2.363 180.022 177.584 0.125 0.000 1.181 393 A CA 1.326 53.414 52.037 0.084 0.000 0.620 393 A CB -0.388 18.641 19.000 0.050 0.000 0.819 393 A HN 0.319 nan 8.150 nan 0.000 0.442 394 R N -0.537 120.012 120.500 0.082 0.000 2.115 394 R HA 0.018 4.358 4.340 -0.000 0.000 0.226 394 R C 2.421 178.879 176.300 0.262 0.000 1.100 394 R CA 0.989 57.154 56.100 0.108 0.000 0.980 394 R CB -0.405 29.899 30.300 0.007 0.000 0.875 394 R HN 0.499 nan 8.270 nan 0.000 0.445 395 A N 1.466 124.463 122.820 0.296 0.000 1.933 395 A HA -0.095 4.224 4.320 -0.000 0.000 0.218 395 A C 2.377 180.222 177.584 0.435 0.000 1.175 395 A CA 1.610 53.948 52.037 0.502 0.000 0.628 395 A CB -0.558 18.764 19.000 0.537 0.000 0.814 395 A HN 0.372 nan 8.150 nan 0.000 0.444 396 A N -1.510 121.464 122.820 0.255 0.000 1.972 396 A HA -0.175 4.144 4.320 -0.000 0.000 0.219 396 A C 2.063 179.763 177.584 0.192 0.000 1.169 396 A CA 1.389 53.528 52.037 0.169 0.000 0.635 396 A CB -0.721 18.362 19.000 0.138 0.000 0.810 396 A HN 0.847 nan 8.150 nan 0.000 0.446 397 W N 1.003 122.354 121.300 0.086 0.000 2.407 397 W HA -0.072 4.588 4.660 -0.000 0.000 0.305 397 W C 1.465 178.035 176.519 0.084 0.000 1.196 397 W CA 1.653 59.032 57.345 0.057 0.000 1.311 397 W CB -0.305 29.169 29.460 0.023 0.000 1.135 397 W HN 0.543 nan 8.180 nan 0.000 0.514 398 E N -0.525 119.948 120.200 0.455 0.000 2.478 398 E HA -0.113 4.237 4.350 -0.000 0.000 0.198 398 E C 1.846 178.610 176.600 0.274 0.000 1.046 398 E CA 1.190 57.814 56.400 0.374 0.000 0.870 398 E CB -0.091 29.868 29.700 0.433 0.000 0.818 398 E HN 0.062 nan 8.360 nan 0.000 0.527 399 T N 0.144 114.844 114.554 0.244 0.000 2.985 399 T HA -0.001 4.349 4.350 -0.000 0.000 0.266 399 T C 1.610 176.302 174.700 -0.014 0.000 1.076 399 T CA 1.154 63.330 62.100 0.128 0.000 1.135 399 T CB 0.156 69.106 68.868 0.137 0.000 0.890 399 T HN 0.222 nan 8.240 nan 0.000 0.480 400 A N 0.191 122.970 122.820 -0.068 0.000 2.469 400 A HA 0.407 4.727 4.320 -0.000 0.000 0.245 400 A C 0.653 178.155 177.584 -0.137 0.000 1.221 400 A CA -0.254 51.706 52.037 -0.129 0.000 0.946 400 A CB 0.597 19.484 19.000 -0.189 0.000 1.049 400 A HN 0.082 nan 8.150 nan 0.000 0.529 401 R N 0.277 120.712 120.500 -0.108 0.000 2.564 401 R HA 0.332 4.672 4.340 -0.000 0.000 0.284 401 R C -1.784 174.539 176.300 0.039 0.000 1.031 401 R CA -0.533 55.560 56.100 -0.011 0.000 0.904 401 R CB 0.997 31.296 30.300 -0.002 0.000 1.199 401 R HN 0.432 nan 8.270 nan 0.000 0.443 402 H N 0.917 120.063 119.070 0.127 0.000 2.742 402 H HA 0.193 4.749 4.556 -0.000 0.000 0.302 402 H C 0.434 175.843 175.328 0.135 0.000 1.069 402 H CA 0.473 56.599 56.048 0.130 0.000 1.446 402 H CB 0.874 30.686 29.762 0.084 0.000 1.462 402 H HN 0.501 nan 8.280 nan 0.000 0.499 403 T N 0.464 115.144 114.554 0.210 0.000 2.940 403 T HA 0.264 4.614 4.350 -0.000 0.000 0.288 403 T C -1.596 173.137 174.700 0.055 0.000 1.033 403 T CA -2.196 59.986 62.100 0.138 0.000 1.033 403 T CB 1.720 70.659 68.868 0.119 0.000 1.079 403 T HN 0.232 nan 8.240 nan 0.000 0.496 404 P HA 0.064 nan 4.420 nan 0.000 0.216 404 P C -0.133 177.119 177.300 -0.080 0.000 1.150 404 P CA 0.469 63.524 63.100 -0.075 0.000 0.837 404 P CB 0.158 31.818 31.700 -0.067 0.000 0.786 405 V N 1.104 120.979 119.914 -0.065 0.000 2.444 405 V HA 0.205 4.325 4.120 -0.000 0.000 0.294 405 V C -0.352 175.681 176.094 -0.102 0.000 1.022 405 V CA -0.833 61.412 62.300 -0.091 0.000 0.850 405 V CB 1.574 33.342 31.823 -0.092 0.000 0.992 405 V HN -0.005 nan 8.190 nan 0.000 0.426 406 N N 3.342 121.932 118.700 -0.184 0.000 2.482 406 N HA 0.064 4.804 4.740 -0.000 0.000 0.242 406 N C 1.337 176.606 175.510 -0.402 0.000 1.100 406 N CA 0.191 53.056 53.050 -0.309 0.000 0.946 406 N CB 1.692 39.839 38.487 -0.567 0.000 1.227 406 N HN 0.813 nan 8.380 nan 0.000 0.508 407 S N 2.357 117.946 115.700 -0.185 0.000 2.399 407 S HA -0.113 4.357 4.470 -0.000 0.000 0.231 407 S C 1.827 176.365 174.600 -0.103 0.000 1.022 407 S CA 0.200 58.334 58.200 -0.111 0.000 0.983 407 S CB -0.385 62.807 63.200 -0.014 0.000 0.803 407 S HN 0.798 nan 8.310 nan 0.000 0.480 408 W N 1.467 122.667 121.300 -0.167 0.000 2.363 408 W HA -0.026 4.634 4.660 -0.001 0.000 0.296 408 W C 1.700 178.129 176.519 -0.149 0.000 1.212 408 W CA 0.528 57.733 57.345 -0.233 0.000 1.260 408 W CB -1.099 27.831 29.460 -0.883 0.000 1.131 408 W HN 0.369 nan 8.180 nan 0.000 0.530 409 L N 2.910 123.443 121.223 -1.150 0.000 2.056 409 L HA 0.156 4.496 4.340 -0.000 0.000 0.207 409 L C 2.613 179.267 176.870 -0.360 0.000 1.078 409 L CA 2.779 57.041 54.840 -0.963 0.000 0.749 409 L CB -1.387 39.909 42.059 -1.272 0.000 0.901 409 L HN 0.039 nan 8.230 nan 0.000 0.433 410 G N -0.678 107.936 108.800 -0.310 0.000 2.418 410 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.217 410 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.217 410 G C 1.446 176.339 174.900 -0.012 0.000 1.158 410 G CA 0.717 45.722 45.100 -0.159 0.000 0.771 410 G HN 0.444 nan 8.290 nan 0.000 0.545 411 N N 0.593 119.350 118.700 0.095 0.000 2.188 411 N HA -0.015 4.725 4.740 -0.000 0.000 0.184 411 N C 2.217 177.876 175.510 0.249 0.000 1.018 411 N CA 0.609 53.847 53.050 0.314 0.000 0.858 411 N CB -0.160 38.592 38.487 0.442 0.000 0.989 411 N HN 0.334 nan 8.380 nan 0.000 0.426 412 I N 0.870 121.544 120.570 0.173 0.000 2.252 412 I HA -0.205 3.965 4.170 -0.000 0.000 0.245 412 I C 2.037 178.211 176.117 0.096 0.000 1.102 412 I CA 0.795 62.183 61.300 0.145 0.000 1.385 412 I CB -0.104 38.045 38.000 0.249 0.000 1.064 412 I HN 0.047 nan 8.210 nan 0.000 0.414 413 I N -0.001 120.622 120.570 0.089 0.000 2.142 413 I HA -0.310 3.860 4.170 -0.000 0.000 0.240 413 I C 2.534 178.745 176.117 0.155 0.000 1.078 413 I CA 1.302 62.678 61.300 0.126 0.000 1.343 413 I CB -0.223 37.829 38.000 0.086 0.000 1.046 413 I HN 0.213 nan 8.210 nan 0.000 0.405 414 M N -0.622 118.983 119.600 0.008 0.000 2.200 414 M HA -0.139 4.341 4.480 -0.000 0.000 0.265 414 M C 1.178 177.235 176.300 -0.405 0.000 1.066 414 M CA 1.777 56.959 55.300 -0.197 0.000 1.127 414 M CB -0.787 31.555 32.600 -0.430 0.000 1.379 414 M HN 0.207 nan 8.290 nan 0.000 0.420 415 Y N -0.632 119.668 120.300 -0.001 0.000 2.720 415 Y HA 0.478 5.028 4.550 -0.000 0.000 0.277 415 Y C 1.827 177.477 175.900 -0.416 0.000 1.144 415 Y CA -0.311 57.669 58.100 -0.200 0.000 1.221 415 Y CB -1.005 37.301 38.460 -0.256 0.000 1.163 415 Y HN 0.154 nan 8.280 nan 0.000 0.537 416 A N 0.963 123.606 122.820 -0.296 0.000 1.927 416 A HA -0.192 4.128 4.320 -0.000 0.000 0.220 416 A C -0.305 177.023 177.584 -0.426 0.000 1.185 416 A CA 1.850 53.689 52.037 -0.329 0.000 0.639 416 A CB -1.415 17.422 19.000 -0.271 0.000 0.820 416 A HN 0.296 nan 8.150 nan 0.000 0.451 417 P HA -0.030 nan 4.420 nan 0.000 0.221 417 P C 0.874 177.932 177.300 -0.403 0.000 1.150 417 P CA 1.422 64.257 63.100 -0.442 0.000 0.800 417 P CB -0.426 31.038 31.700 -0.395 0.000 0.787 418 T N -1.771 112.555 114.554 -0.380 0.000 2.856 418 T HA 0.108 4.458 4.350 -0.000 0.000 0.306 418 T C 1.269 175.572 174.700 -0.663 0.000 1.062 418 T CA -0.442 61.384 62.100 -0.456 0.000 1.083 418 T CB 0.432 68.810 68.868 -0.817 0.000 0.984 418 T HN -0.044 nan 8.240 nan 0.000 0.542 419 L N 0.494 121.238 121.223 -0.799 0.000 2.109 419 L HA 0.182 4.522 4.340 -0.000 0.000 0.207 419 L C 2.459 179.004 176.870 -0.541 0.000 1.086 419 L CA 0.649 54.975 54.840 -0.857 0.000 0.760 419 L CB -1.254 40.068 42.059 -1.229 0.000 0.910 419 L HN 0.882 nan 8.230 nan 0.000 0.437 420 W N 0.405 121.500 121.300 -0.342 0.000 2.402 420 W HA 0.149 4.809 4.660 -0.000 0.000 0.286 420 W C 2.041 178.427 176.519 -0.221 0.000 1.221 420 W CA 0.639 57.821 57.345 -0.271 0.000 1.257 420 W CB -1.060 28.278 29.460 -0.203 0.000 1.120 420 W HN 0.308 nan 8.180 nan 0.000 0.551 421 A N 1.873 124.249 122.820 -0.741 0.000 1.929 421 A HA -0.092 4.228 4.320 -0.000 0.000 0.216 421 A C 2.255 179.688 177.584 -0.253 0.000 1.176 421 A CA 1.495 53.239 52.037 -0.488 0.000 0.628 421 A CB -0.667 17.860 19.000 -0.788 0.000 0.816 421 A HN 0.284 nan 8.150 nan 0.000 0.444 422 R N -0.811 119.452 120.500 -0.396 0.000 2.057 422 R HA 0.050 4.389 4.340 -0.000 0.000 0.229 422 R C 2.260 178.370 176.300 -0.317 0.000 1.136 422 R CA 1.676 57.553 56.100 -0.372 0.000 0.952 422 R CB -0.397 29.520 30.300 -0.638 0.000 0.848 422 R HN 0.484 nan 8.270 nan 0.000 0.430 423 M N -0.095 119.161 119.600 -0.573 0.000 2.254 423 M HA -0.049 4.431 4.480 -0.000 0.000 0.265 423 M C 1.899 178.154 176.300 -0.075 0.000 1.066 423 M CA 1.557 56.632 55.300 -0.375 0.000 1.123 423 M CB -0.005 32.330 32.600 -0.441 0.000 1.388 423 M HN 0.145 nan 8.290 nan 0.000 0.425 424 I N -0.792 119.576 120.570 -0.337 0.000 3.341 424 I HA -0.087 4.082 4.170 -0.000 0.000 0.243 424 I C 2.119 178.064 176.117 -0.287 0.000 1.094 424 I CA 0.200 61.035 61.300 -0.774 0.000 1.507 424 I CB -0.314 37.174 38.000 -0.854 0.000 1.441 424 I HN 0.106 nan 8.210 nan 0.000 0.465 425 L N 0.432 121.668 121.223 0.021 0.000 1.971 425 L HA -0.271 4.069 4.340 -0.000 0.000 0.215 425 L C 2.743 179.903 176.870 0.483 0.000 1.072 425 L CA 1.847 56.894 54.840 0.346 0.000 0.758 425 L CB -0.568 41.739 42.059 0.413 0.000 0.889 425 L HN 0.301 nan 8.230 nan 0.000 0.433 426 M N -0.894 118.956 119.600 0.418 0.000 2.080 426 M HA -0.214 4.266 4.480 -0.000 0.000 0.260 426 M C 2.330 179.111 176.300 0.802 0.000 1.068 426 M CA 2.261 57.906 55.300 0.575 0.000 1.109 426 M CB -0.715 32.034 32.600 0.249 0.000 1.342 426 M HN 0.308 nan 8.290 nan 0.000 0.405 427 T N -1.332 113.671 114.554 0.749 0.000 2.652 427 T HA -0.234 4.116 4.350 -0.000 0.000 0.267 427 T C 1.633 176.623 174.700 0.484 0.000 1.039 427 T CA 1.982 64.491 62.100 0.681 0.000 1.153 427 T CB -0.579 68.728 68.868 0.731 0.000 0.863 427 T HN 0.465 nan 8.240 nan 0.000 0.428 428 H N 0.455 119.694 119.070 0.281 0.000 2.267 428 H HA -0.042 4.513 4.556 -0.000 0.000 0.297 428 H C 1.862 177.069 175.328 -0.202 0.000 1.080 428 H CA 1.738 57.822 56.048 0.062 0.000 1.278 428 H CB -0.587 29.058 29.762 -0.195 0.000 1.365 428 H HN 0.337 nan 8.280 nan 0.000 0.489 429 F N -0.964 118.942 119.950 -0.072 0.000 2.186 429 F HA -0.062 4.465 4.527 -0.001 0.000 0.299 429 F C 2.154 177.775 175.800 -0.299 0.000 1.090 429 F CA 0.756 58.474 58.000 -0.469 0.000 1.307 429 F CB -0.632 37.733 39.000 -1.059 0.000 1.019 429 F HN 0.153 nan 8.300 nan 0.000 0.489 430 F N -0.532 119.496 119.950 0.131 0.000 2.234 430 F HA -0.183 4.343 4.527 -0.001 0.000 0.299 430 F C 2.720 178.543 175.800 0.038 0.000 1.087 430 F CA 1.450 59.550 58.000 0.168 0.000 1.340 430 F CB -0.834 38.385 39.000 0.364 0.000 1.031 430 F HN -0.097 nan 8.300 nan 0.000 0.500 431 S N 0.384 116.152 115.700 0.113 0.000 2.356 431 S HA -0.188 4.282 4.470 -0.000 0.000 0.223 431 S C 2.170 176.719 174.600 -0.085 0.000 1.032 431 S CA 1.467 59.661 58.200 -0.010 0.000 1.005 431 S CB -0.446 62.724 63.200 -0.050 0.000 0.867 431 S HN 0.334 nan 8.310 nan 0.000 0.449 432 I N 1.238 121.690 120.570 -0.197 0.000 2.179 432 I HA -0.182 3.987 4.170 -0.000 0.000 0.242 432 I C 2.179 178.235 176.117 -0.102 0.000 1.088 432 I CA 1.142 62.321 61.300 -0.203 0.000 1.357 432 I CB -0.349 37.452 38.000 -0.333 0.000 1.051 432 I HN 0.321 nan 8.210 nan 0.000 0.409 433 L N 0.040 121.205 121.223 -0.097 0.000 2.083 433 L HA -0.223 4.117 4.340 -0.000 0.000 0.209 433 L C 2.510 179.380 176.870 -0.000 0.000 1.083 433 L CA 1.198 56.007 54.840 -0.052 0.000 0.752 433 L CB -0.512 41.472 42.059 -0.125 0.000 0.899 433 L HN 0.287 nan 8.230 nan 0.000 0.433 434 L N -0.318 120.918 121.223 0.021 0.000 2.027 434 L HA -0.179 4.161 4.340 -0.000 0.000 0.206 434 L C 2.907 179.785 176.870 0.013 0.000 1.074 434 L CA 1.225 56.089 54.840 0.041 0.000 0.745 434 L CB -0.654 41.437 42.059 0.052 0.000 0.898 434 L HN 0.229 nan 8.230 nan 0.000 0.433 435 A N -0.847 121.968 122.820 -0.009 0.000 1.940 435 A HA -0.205 4.115 4.320 -0.000 0.000 0.219 435 A C 2.069 179.652 177.584 -0.003 0.000 1.176 435 A CA 1.386 53.414 52.037 -0.014 0.000 0.631 435 A CB -0.265 18.715 19.000 -0.034 0.000 0.814 435 A HN 0.447 nan 8.150 nan 0.000 0.446 436 Q N -0.645 119.156 119.800 0.002 0.000 2.360 436 Q HA 0.067 4.407 4.340 -0.000 0.000 0.202 436 Q C -0.518 175.498 176.000 0.027 0.000 0.915 436 Q CA 0.411 56.225 55.803 0.018 0.000 0.943 436 Q CB 0.007 28.763 28.738 0.029 0.000 1.064 436 Q HN 0.788 nan 8.270 nan 0.000 0.511 437 E N 0.872 121.087 120.200 0.026 0.000 2.269 437 E HA -0.242 4.108 4.350 -0.000 0.000 0.223 437 E C -0.449 176.176 176.600 0.043 0.000 1.244 437 E CA 0.300 56.722 56.400 0.036 0.000 0.713 437 E CB -1.314 28.404 29.700 0.031 0.000 1.178 437 E HN 0.476 nan 8.360 nan 0.000 0.370 438 Q N -0.130 119.697 119.800 0.044 0.000 2.263 438 Q HA 0.229 4.569 4.340 -0.000 0.000 0.337 438 Q C 1.336 177.369 176.000 0.054 0.000 0.906 438 Q CA -0.217 55.618 55.803 0.054 0.000 1.124 438 Q CB 0.451 29.229 28.738 0.067 0.000 1.255 438 Q HN 0.376 nan 8.270 nan 0.000 0.435 439 L N -0.271 120.986 121.223 0.057 0.000 2.291 439 L HA -0.071 4.269 4.340 -0.000 0.000 0.214 439 L C 1.760 178.680 176.870 0.084 0.000 1.120 439 L CA 1.188 56.069 54.840 0.067 0.000 0.799 439 L CB 0.196 42.327 42.059 0.120 0.000 0.925 439 L HN 0.309 nan 8.230 nan 0.000 0.446 440 E N 0.121 120.367 120.200 0.076 0.000 2.476 440 E HA 0.007 4.356 4.350 -0.000 0.000 0.196 440 E C 0.510 177.150 176.600 0.067 0.000 1.029 440 E CA -0.156 56.288 56.400 0.073 0.000 0.896 440 E CB 0.532 30.271 29.700 0.065 0.000 1.012 440 E HN 0.085 nan 8.360 nan 0.000 0.475 441 K N 1.019 121.461 120.400 0.069 0.000 2.262 441 K HA 0.374 4.693 4.320 -0.000 0.000 0.282 441 K C -0.659 175.983 176.600 0.071 0.000 1.066 441 K CA -0.372 55.956 56.287 0.067 0.000 0.901 441 K CB 0.967 33.511 32.500 0.072 0.000 1.089 441 K HN 0.004 nan 8.250 nan 0.000 0.476 442 A N 5.293 128.151 122.820 0.063 0.000 2.477 442 A HA 0.324 4.643 4.320 -0.000 0.000 0.246 442 A C -0.508 177.104 177.584 0.046 0.000 1.078 442 A CA -0.202 51.870 52.037 0.058 0.000 0.770 442 A CB 0.094 19.133 19.000 0.065 0.000 1.011 442 A HN 0.781 nan 8.150 nan 0.000 0.494 443 L N 1.926 123.159 121.223 0.018 0.000 2.370 443 L HA 0.390 4.730 4.340 -0.000 0.000 0.266 443 L C -0.784 176.053 176.870 -0.055 0.000 1.002 443 L CA -1.063 53.767 54.840 -0.016 0.000 0.818 443 L CB 2.036 44.070 42.059 -0.042 0.000 1.325 443 L HN 0.587 nan 8.230 nan 0.000 0.418 444 D N 1.304 121.671 120.400 -0.056 0.000 2.304 444 D HA 0.447 5.086 4.640 -0.000 0.000 0.250 444 D C -0.366 175.856 176.300 -0.130 0.000 1.107 444 D CA -0.010 53.959 54.000 -0.052 0.000 0.885 444 D CB 1.700 42.483 40.800 -0.029 0.000 1.192 444 D HN 0.620 nan 8.370 nan 0.000 0.436 445 C N 0.349 119.572 119.300 -0.128 0.000 3.323 445 C HA 0.698 5.158 4.460 -0.000 0.000 0.324 445 C C -1.179 173.743 174.990 -0.115 0.000 1.428 445 C CA -0.797 58.114 59.018 -0.180 0.000 1.368 445 C CB 1.513 29.087 27.740 -0.277 0.000 1.731 445 C HN 0.550 nan 8.230 nan 0.000 0.455 446 Q N 0.357 120.086 119.800 -0.119 0.000 2.375 446 Q HA 0.758 5.098 4.340 -0.000 0.000 0.271 446 Q C -1.460 174.475 176.000 -0.108 0.000 1.074 446 Q CA -0.491 55.273 55.803 -0.065 0.000 0.808 446 Q CB 2.670 31.381 28.738 -0.044 0.000 1.327 446 Q HN 0.728 nan 8.270 nan 0.000 0.441 447 I N 2.743 123.256 120.570 -0.095 0.000 2.497 447 I HA 0.194 4.364 4.170 -0.000 0.000 0.284 447 I C -1.187 174.940 176.117 0.016 0.000 1.060 447 I CA -0.699 60.458 61.300 -0.238 0.000 1.071 447 I CB 1.077 38.627 38.000 -0.751 0.000 1.216 447 I HN 0.667 nan 8.210 nan 0.000 0.442 448 Y N 4.909 125.250 120.300 0.069 0.000 3.389 448 Y HA -0.246 4.303 4.550 -0.000 0.000 0.213 448 Y C 1.445 177.315 175.900 -0.050 0.000 1.272 448 Y CA 1.063 59.197 58.100 0.057 0.000 1.444 448 Y CB -2.004 36.510 38.460 0.090 0.000 1.445 448 Y HN 0.966 nan 8.280 nan 0.000 0.583 449 G N -2.050 106.829 108.800 0.132 0.000 2.267 449 G HA2 -0.042 3.918 3.960 -0.000 0.000 0.257 449 G HA3 -0.042 3.918 3.960 -0.000 0.000 0.257 449 G C 0.507 175.415 174.900 0.015 0.000 0.998 449 G CA 0.289 45.421 45.100 0.053 0.000 0.620 449 G HN 1.610 nan 8.290 nan 0.000 0.529 450 A N -0.528 122.306 122.820 0.023 0.000 2.316 450 A HA 0.630 4.950 4.320 -0.000 0.000 0.284 450 A C 0.652 178.062 177.584 -0.290 0.000 1.115 450 A CA 0.462 52.350 52.037 -0.247 0.000 0.812 450 A CB 0.946 19.687 19.000 -0.432 0.000 1.064 450 A HN 1.552 nan 8.150 nan 0.000 0.489 451 C N 2.725 121.747 119.300 -0.463 0.000 2.307 451 C HA 0.770 5.229 4.460 -0.000 0.000 0.340 451 C C -1.083 173.520 174.990 -0.646 0.000 1.275 451 C CA -0.506 58.331 59.018 -0.302 0.000 1.811 451 C CB -1.427 26.286 27.740 -0.044 0.000 2.372 451 C HN 0.640 nan 8.230 nan 0.000 0.531 452 Y N 2.820 122.902 120.300 -0.362 0.000 2.485 452 Y HA 0.495 5.045 4.550 -0.000 0.000 0.345 452 Y C 0.416 176.185 175.900 -0.217 0.000 0.998 452 Y CA -0.520 57.324 58.100 -0.427 0.000 1.059 452 Y CB 1.772 39.916 38.460 -0.527 0.000 1.234 452 Y HN 0.570 nan 8.280 nan 0.000 0.461 453 S N 3.373 119.069 115.700 -0.006 0.000 2.422 453 S HA 0.753 5.222 4.470 -0.000 0.000 0.308 453 S C -0.959 173.690 174.600 0.081 0.000 1.097 453 S CA -0.324 57.927 58.200 0.085 0.000 1.099 453 S CB -0.375 62.930 63.200 0.175 0.000 0.976 453 S HN 0.526 nan 8.310 nan 0.000 0.471 454 I N 3.671 124.272 120.570 0.051 0.000 2.619 454 I HA 0.363 4.532 4.170 -0.000 0.000 0.292 454 I C -0.436 175.712 176.117 0.052 0.000 1.100 454 I CA -0.697 60.645 61.300 0.069 0.000 1.043 454 I CB 2.413 40.452 38.000 0.064 0.000 1.239 454 I HN 0.520 nan 8.210 nan 0.000 0.420 455 E N 6.447 126.694 120.200 0.077 0.000 2.200 455 E HA 0.211 4.561 4.350 -0.000 0.000 0.283 455 E C -1.832 174.831 176.600 0.106 0.000 1.015 455 E CA -1.562 54.887 56.400 0.082 0.000 0.819 455 E CB 1.333 31.083 29.700 0.083 0.000 1.081 455 E HN 0.303 nan 8.360 nan 0.000 0.397 456 P HA -0.211 nan 4.420 nan 0.000 0.217 456 P C 0.977 178.450 177.300 0.289 0.000 1.151 456 P CA 1.171 64.369 63.100 0.164 0.000 0.849 456 P CB 0.218 31.935 31.700 0.027 0.000 0.787 457 L N -0.838 120.521 121.223 0.227 0.000 2.353 457 L HA -0.151 4.188 4.340 -0.000 0.000 0.220 457 L C 1.447 178.421 176.870 0.173 0.000 1.133 457 L CA 1.237 56.217 54.840 0.233 0.000 0.798 457 L CB -0.634 41.522 42.059 0.162 0.000 0.922 457 L HN 0.024 nan 8.230 nan 0.000 0.445 458 D N -0.471 120.016 120.400 0.145 0.000 2.349 458 D HA -0.005 4.635 4.640 -0.000 0.000 0.215 458 D C 2.268 178.634 176.300 0.109 0.000 1.016 458 D CA 0.261 54.318 54.000 0.095 0.000 0.870 458 D CB 0.383 41.226 40.800 0.071 0.000 0.917 458 D HN 0.318 nan 8.370 nan 0.000 0.524 459 L N 1.079 122.412 121.223 0.185 0.000 2.013 459 L HA -0.183 4.157 4.340 -0.000 0.000 0.212 459 L C -0.465 176.514 176.870 0.181 0.000 1.073 459 L CA 1.733 56.698 54.840 0.210 0.000 0.753 459 L CB -1.428 40.830 42.059 0.331 0.000 0.890 459 L HN 0.045 nan 8.230 nan 0.000 0.432 460 P HA -0.207 nan 4.420 nan 0.000 0.215 460 P C 1.411 178.770 177.300 0.097 0.000 1.157 460 P CA 1.406 64.562 63.100 0.094 0.000 0.868 460 P CB -0.004 31.607 31.700 -0.149 0.000 0.788 461 Q N -0.752 119.043 119.800 -0.008 0.000 2.050 461 Q HA -0.133 4.206 4.340 -0.000 0.000 0.202 461 Q C 2.252 178.231 176.000 -0.035 0.000 0.980 461 Q CA 1.306 57.083 55.803 -0.043 0.000 0.840 461 Q CB -0.783 27.918 28.738 -0.063 0.000 0.898 461 Q HN 0.268 nan 8.270 nan 0.000 0.424 462 I N 0.736 121.287 120.570 -0.032 0.000 2.127 462 I HA -0.310 3.859 4.170 -0.000 0.000 0.241 462 I C 2.305 178.397 176.117 -0.041 0.000 1.075 462 I CA 1.311 62.552 61.300 -0.098 0.000 1.334 462 I CB -0.366 37.611 38.000 -0.038 0.000 1.040 462 I HN 0.204 nan 8.210 nan 0.000 0.405 463 I N 0.359 120.974 120.570 0.075 0.000 2.286 463 I HA -0.294 3.876 4.170 -0.000 0.000 0.248 463 I C 2.657 178.752 176.117 -0.037 0.000 1.115 463 I CA 1.411 62.760 61.300 0.082 0.000 1.392 463 I CB -0.410 37.647 38.000 0.096 0.000 1.065 463 I HN 0.339 nan 8.210 nan 0.000 0.418 464 E N 1.022 121.234 120.200 0.021 0.000 2.051 464 E HA -0.224 4.125 4.350 -0.000 0.000 0.192 464 E C 2.362 178.931 176.600 -0.052 0.000 0.991 464 E CA 0.982 57.385 56.400 0.005 0.000 0.799 464 E CB 0.121 29.881 29.700 0.100 0.000 0.748 464 E HN 0.286 nan 8.360 nan 0.000 0.449 465 R N 0.121 120.573 120.500 -0.080 0.000 2.115 465 R HA -0.065 4.275 4.340 -0.000 0.000 0.230 465 R C 2.386 178.601 176.300 -0.143 0.000 1.111 465 R CA 0.746 56.776 56.100 -0.116 0.000 0.976 465 R CB -0.303 29.897 30.300 -0.168 0.000 0.870 465 R HN 0.348 nan 8.270 nan 0.000 0.445 466 L N -1.137 119.971 121.223 -0.191 0.000 2.298 466 L HA 0.009 4.349 4.340 -0.000 0.000 0.209 466 L C 1.732 178.320 176.870 -0.469 0.000 1.084 466 L CA 0.799 55.448 54.840 -0.318 0.000 0.816 466 L CB -0.203 41.624 42.059 -0.386 0.000 0.967 466 L HN 0.210 nan 8.230 nan 0.000 0.460 467 H N -0.701 118.299 119.070 -0.117 0.000 3.058 467 H HA 0.325 4.881 4.556 -0.000 0.000 0.258 467 H C 0.839 176.078 175.328 -0.148 0.000 1.015 467 H CA 0.778 56.742 56.048 -0.141 0.000 1.210 467 H CB 1.167 30.816 29.762 -0.189 0.000 1.481 467 H HN 0.250 nan 8.280 nan 0.000 0.492 468 G N 1.081 109.850 108.800 -0.051 0.000 2.712 468 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.686 468 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.686 468 G C 0.704 175.541 174.900 -0.105 0.000 1.321 468 G CA -0.172 44.896 45.100 -0.052 0.000 0.813 468 G HN 0.211 nan 8.290 nan 0.000 0.599 469 L N 1.093 122.317 121.223 0.002 0.000 2.189 469 L HA -0.186 4.153 4.340 -0.000 0.000 0.214 469 L C 3.217 180.109 176.870 0.037 0.000 1.097 469 L CA 2.348 57.259 54.840 0.118 0.000 0.764 469 L CB -0.563 41.623 42.059 0.212 0.000 0.900 469 L HN 0.955 nan 8.230 nan 0.000 0.436 470 S N -0.014 115.668 115.700 -0.030 0.000 2.419 470 S HA -0.207 4.263 4.470 -0.000 0.000 0.235 470 S C 2.123 176.647 174.600 -0.128 0.000 1.019 470 S CA 0.891 59.061 58.200 -0.050 0.000 0.982 470 S CB -0.435 62.725 63.200 -0.065 0.000 0.789 470 S HN 0.402 nan 8.310 nan 0.000 0.490 471 A N 0.729 123.389 122.820 -0.267 0.000 2.019 471 A HA 0.164 4.483 4.320 -0.000 0.000 0.219 471 A C 1.564 178.969 177.584 -0.298 0.000 1.164 471 A CA 0.998 52.806 52.037 -0.383 0.000 0.644 471 A CB -0.827 17.847 19.000 -0.543 0.000 0.805 471 A HN 0.575 nan 8.150 nan 0.000 0.449 472 F N 0.131 120.098 119.950 0.028 0.000 2.797 472 F HA 0.107 4.634 4.527 -0.000 0.000 0.302 472 F C 1.710 177.567 175.800 0.094 0.000 1.130 472 F CA 0.608 58.655 58.000 0.078 0.000 1.387 472 F CB 0.063 39.149 39.000 0.143 0.000 1.107 472 F HN 0.256 nan 8.300 nan 0.000 0.577 473 S N -1.538 114.273 115.700 0.185 0.000 3.009 473 S HA 0.312 4.782 4.470 -0.000 0.000 0.254 473 S C -0.004 174.665 174.600 0.115 0.000 1.004 473 S CA -0.402 57.900 58.200 0.171 0.000 1.119 473 S CB -0.654 62.642 63.200 0.161 0.000 1.075 473 S HN 0.031 nan 8.310 nan 0.000 0.618 474 L N 3.188 124.400 121.223 -0.019 0.000 2.461 474 L HA 0.441 4.781 4.340 -0.000 0.000 0.272 474 L C 0.557 177.353 176.870 -0.124 0.000 1.197 474 L CA 0.163 54.874 54.840 -0.215 0.000 0.836 474 L CB 0.156 41.959 42.059 -0.426 0.000 1.105 474 L HN 0.682 nan 8.230 nan 0.000 0.477 475 H N -1.615 117.284 119.070 -0.284 0.000 2.948 475 H HA 0.357 4.913 4.556 -0.000 0.000 0.315 475 H C -0.525 174.687 175.328 -0.193 0.000 1.360 475 H CA -0.924 55.035 56.048 -0.149 0.000 1.125 475 H CB 0.945 30.707 29.762 -0.001 0.000 1.844 475 H HN 0.392 nan 8.280 nan 0.000 0.529 476 S N -0.197 115.592 115.700 0.149 0.000 3.527 476 S HA -0.218 4.251 4.470 -0.000 0.000 0.409 476 S C -0.712 173.916 174.600 0.047 0.000 0.900 476 S CA 0.447 58.709 58.200 0.104 0.000 1.320 476 S CB -2.361 60.817 63.200 -0.037 0.000 0.915 476 S HN 0.534 nan 8.310 nan 0.000 0.575 477 Y N 1.657 122.002 120.300 0.075 0.000 2.299 477 Y HA 0.382 4.932 4.550 -0.001 0.000 0.335 477 Y C 1.401 177.363 175.900 0.103 0.000 1.287 477 Y CA 0.058 58.208 58.100 0.083 0.000 1.424 477 Y CB 0.385 38.884 38.460 0.065 0.000 1.326 477 Y HN 0.591 nan 8.280 nan 0.000 0.567 478 S N 1.310 117.167 115.700 0.262 0.000 2.573 478 S HA 0.077 4.547 4.470 -0.000 0.000 0.277 478 S C -2.016 172.674 174.600 0.151 0.000 1.346 478 S CA -0.967 57.333 58.200 0.166 0.000 1.034 478 S CB 1.015 64.291 63.200 0.126 0.000 0.879 478 S HN 0.453 nan 8.310 nan 0.000 0.528 479 P HA 0.063 nan 4.420 nan 0.000 0.218 479 P C 1.664 179.008 177.300 0.073 0.000 1.149 479 P CA 1.424 64.575 63.100 0.085 0.000 0.817 479 P CB -0.375 31.364 31.700 0.066 0.000 0.785 480 G N -0.102 108.739 108.800 0.068 0.000 2.408 480 G HA2 -0.246 3.713 3.960 -0.000 0.000 0.217 480 G HA3 -0.246 3.713 3.960 -0.000 0.000 0.217 480 G C 1.650 176.584 174.900 0.058 0.000 1.150 480 G CA 0.681 45.812 45.100 0.051 0.000 0.776 480 G HN 0.240 nan 8.290 nan 0.000 0.542 481 E N 0.919 121.173 120.200 0.091 0.000 2.028 481 E HA -0.052 4.298 4.350 -0.000 0.000 0.191 481 E C 2.441 179.094 176.600 0.089 0.000 0.988 481 E CA 0.817 57.284 56.400 0.112 0.000 0.799 481 E CB -0.487 29.340 29.700 0.212 0.000 0.755 481 E HN 0.450 nan 8.360 nan 0.000 0.447 482 I N 0.730 121.359 120.570 0.097 0.000 2.194 482 I HA -0.315 3.855 4.170 -0.000 0.000 0.246 482 I C 1.858 178.001 176.117 0.044 0.000 1.093 482 I CA 1.450 62.787 61.300 0.062 0.000 1.355 482 I CB -0.449 37.601 38.000 0.083 0.000 1.046 482 I HN 0.173 nan 8.210 nan 0.000 0.413 483 N N 0.505 119.233 118.700 0.046 0.000 2.142 483 N HA -0.178 4.562 4.740 -0.000 0.000 0.186 483 N C 1.892 177.412 175.510 0.016 0.000 1.023 483 N CA 0.992 54.061 53.050 0.032 0.000 0.852 483 N CB -0.255 38.251 38.487 0.032 0.000 0.998 483 N HN 0.223 nan 8.380 nan 0.000 0.424 484 R N 0.471 120.978 120.500 0.010 0.000 2.081 484 R HA -0.060 4.280 4.340 -0.000 0.000 0.235 484 R C 1.592 177.869 176.300 -0.038 0.000 1.131 484 R CA 1.076 57.166 56.100 -0.017 0.000 0.960 484 R CB -0.283 30.001 30.300 -0.026 0.000 0.856 484 R HN 0.027 nan 8.270 nan 0.000 0.436 485 V N 1.006 120.904 119.914 -0.026 0.000 2.270 485 V HA -0.210 3.909 4.120 -0.000 0.000 0.245 485 V C 2.497 178.581 176.094 -0.017 0.000 1.043 485 V CA 1.948 64.224 62.300 -0.040 0.000 1.014 485 V CB -0.784 31.043 31.823 0.007 0.000 0.645 485 V HN 0.568 nan 8.190 nan 0.000 0.447 486 A N -0.406 122.420 122.820 0.009 0.000 1.940 486 A HA -0.224 4.095 4.320 -0.000 0.000 0.219 486 A C 2.467 180.061 177.584 0.016 0.000 1.176 486 A CA 2.365 54.417 52.037 0.024 0.000 0.631 486 A CB -0.672 18.349 19.000 0.034 0.000 0.814 486 A HN 0.523 nan 8.150 nan 0.000 0.446 487 S N -1.295 114.408 115.700 0.006 0.000 2.368 487 S HA -0.192 4.277 4.470 -0.000 0.000 0.224 487 S C 2.043 176.642 174.600 -0.002 0.000 1.029 487 S CA 1.148 59.352 58.200 0.006 0.000 0.988 487 S CB -0.871 62.330 63.200 0.001 0.000 0.838 487 S HN 0.812 nan 8.310 nan 0.000 0.462 488 C N 2.147 121.431 119.300 -0.026 0.000 2.425 488 C HA 0.001 4.460 4.460 -0.000 0.000 0.277 488 C C 2.406 177.381 174.990 -0.025 0.000 1.280 488 C CA 0.553 59.545 59.018 -0.043 0.000 1.744 488 C CB -1.643 26.035 27.740 -0.103 0.000 1.989 488 C HN 0.558 nan 8.230 nan 0.000 0.491 489 L N 0.340 121.556 121.223 -0.012 0.000 2.056 489 L HA -0.095 4.245 4.340 -0.000 0.000 0.207 489 L C 3.057 179.921 176.870 -0.010 0.000 1.078 489 L CA 1.686 56.530 54.840 0.006 0.000 0.749 489 L CB -0.850 41.240 42.059 0.052 0.000 0.901 489 L HN 0.343 nan 8.230 nan 0.000 0.433 490 R N 0.341 120.846 120.500 0.008 0.000 2.092 490 R HA -0.175 4.164 4.340 -0.000 0.000 0.231 490 R C 2.308 178.638 176.300 0.050 0.000 1.119 490 R CA 1.176 57.288 56.100 0.020 0.000 0.970 490 R CB -0.255 30.068 30.300 0.039 0.000 0.864 490 R HN 0.333 nan 8.270 nan 0.000 0.440 491 K N 1.241 121.673 120.400 0.054 0.000 2.097 491 K HA -0.081 4.238 4.320 -0.000 0.000 0.205 491 K C 1.769 178.464 176.600 0.158 0.000 1.050 491 K CA 1.083 57.435 56.287 0.109 0.000 0.938 491 K CB 0.100 32.640 32.500 0.065 0.000 0.718 491 K HN 0.143 nan 8.250 nan 0.000 0.442 492 L N -0.307 120.928 121.223 0.021 0.000 2.529 492 L HA 0.175 4.514 4.340 -0.000 0.000 0.223 492 L C 0.850 177.509 176.870 -0.352 0.000 1.113 492 L CA 0.429 55.256 54.840 -0.022 0.000 0.861 492 L CB 0.293 42.351 42.059 -0.002 0.000 1.012 492 L HN 0.560 nan 8.230 nan 0.000 0.461 493 G N 0.904 109.342 108.800 -0.604 0.000 2.204 493 G HA2 -0.212 3.747 3.960 -0.000 0.000 0.244 493 G HA3 -0.212 3.747 3.960 -0.000 0.000 0.244 493 G C -0.125 174.600 174.900 -0.291 0.000 1.062 493 G CA -0.086 44.504 45.100 -0.849 0.000 0.798 493 G HN 0.076 nan 8.290 nan 0.000 0.496 494 V N 0.841 120.684 119.914 -0.117 0.000 2.481 494 V HA 0.458 4.578 4.120 -0.000 0.000 0.286 494 V C -1.227 174.930 176.094 0.105 0.000 1.042 494 V CA -1.647 60.684 62.300 0.052 0.000 0.928 494 V CB 1.651 33.542 31.823 0.114 0.000 0.986 494 V HN 0.172 nan 8.190 nan 0.000 0.462 495 P HA 0.068 nan 4.420 nan 0.000 0.267 495 P C -2.480 174.919 177.300 0.166 0.000 1.195 495 P CA -0.554 62.561 63.100 0.026 0.000 0.773 495 P CB -0.177 31.382 31.700 -0.235 0.000 0.837 496 P HA 0.054 nan 4.420 nan 0.000 0.271 496 P C 0.865 178.317 177.300 0.254 0.000 1.218 496 P CA 0.041 63.227 63.100 0.144 0.000 0.780 496 P CB 0.709 32.451 31.700 0.071 0.000 0.901 497 L N 1.659 123.059 121.223 0.295 0.000 2.197 497 L HA -0.236 4.103 4.340 -0.000 0.000 0.215 497 L C 2.811 179.871 176.870 0.317 0.000 1.095 497 L CA 1.735 56.794 54.840 0.365 0.000 0.764 497 L CB -0.848 41.332 42.059 0.202 0.000 0.897 497 L HN 0.507 nan 8.230 nan 0.000 0.436 498 R N -0.399 120.218 120.500 0.195 0.000 2.120 498 R HA -0.100 4.240 4.340 -0.000 0.000 0.234 498 R C 1.952 178.330 176.300 0.130 0.000 1.123 498 R CA 1.387 57.577 56.100 0.151 0.000 0.975 498 R CB -0.872 29.477 30.300 0.083 0.000 0.866 498 R HN 0.164 nan 8.270 nan 0.000 0.446 499 V N 0.550 120.493 119.914 0.049 0.000 2.379 499 V HA -0.159 3.961 4.120 -0.000 0.000 0.245 499 V C 1.953 178.021 176.094 -0.044 0.000 1.044 499 V CA 1.678 63.930 62.300 -0.081 0.000 1.036 499 V CB -0.655 30.996 31.823 -0.288 0.000 0.664 499 V HN 0.370 nan 8.190 nan 0.000 0.453 500 W N 0.295 121.699 121.300 0.175 0.000 2.363 500 W HA -0.157 4.503 4.660 -0.001 0.000 0.296 500 W C 2.713 179.421 176.519 0.315 0.000 1.212 500 W CA 1.640 59.126 57.345 0.234 0.000 1.260 500 W CB -0.327 29.278 29.460 0.243 0.000 1.131 500 W HN 0.071 nan 8.180 nan 0.000 0.530 501 R N -0.267 120.553 120.500 0.533 0.000 2.091 501 R HA -0.242 4.098 4.340 -0.000 0.000 0.238 501 R C 2.081 178.485 176.300 0.175 0.000 1.136 501 R CA 2.148 58.502 56.100 0.423 0.000 0.959 501 R CB -0.705 29.825 30.300 0.384 0.000 0.856 501 R HN 0.248 nan 8.270 nan 0.000 0.437 502 H N 0.321 119.435 119.070 0.073 0.000 2.321 502 H HA -0.013 4.543 4.556 -0.000 0.000 0.300 502 H C 1.988 177.291 175.328 -0.042 0.000 1.087 502 H CA 2.126 58.168 56.048 -0.011 0.000 1.319 502 H CB 0.115 29.856 29.762 -0.035 0.000 1.379 502 H HN 0.154 nan 8.280 nan 0.000 0.501 503 R N -0.197 120.293 120.500 -0.018 0.000 2.120 503 R HA -0.040 4.300 4.340 -0.000 0.000 0.234 503 R C 2.510 178.737 176.300 -0.122 0.000 1.123 503 R CA 0.878 56.929 56.100 -0.081 0.000 0.975 503 R CB -0.244 30.052 30.300 -0.007 0.000 0.866 503 R HN 0.372 nan 8.270 nan 0.000 0.446 504 A N 1.497 124.280 122.820 -0.061 0.000 1.902 504 A HA -0.181 4.138 4.320 -0.000 0.000 0.217 504 A C 2.081 179.397 177.584 -0.446 0.000 1.181 504 A CA 1.189 53.061 52.037 -0.274 0.000 0.623 504 A CB -0.336 18.538 19.000 -0.210 0.000 0.818 504 A HN 0.223 nan 8.150 nan 0.000 0.443 505 R N -0.473 119.819 120.500 -0.347 0.000 2.096 505 R HA -0.144 4.196 4.340 -0.000 0.000 0.240 505 R C 2.692 178.808 176.300 -0.307 0.000 1.139 505 R CA 1.711 57.619 56.100 -0.320 0.000 0.952 505 R CB -0.549 29.582 30.300 -0.283 0.000 0.854 505 R HN 0.581 nan 8.270 nan 0.000 0.436 506 S N 0.368 115.880 115.700 -0.314 0.000 2.348 506 S HA -0.117 4.352 4.470 -0.000 0.000 0.221 506 S C 2.108 176.561 174.600 -0.246 0.000 1.033 506 S CA 1.461 59.510 58.200 -0.251 0.000 1.010 506 S CB -0.258 62.804 63.200 -0.230 0.000 0.891 506 S HN 0.137 nan 8.310 nan 0.000 0.442 507 V N 2.623 122.351 119.914 -0.311 0.000 2.380 507 V HA -0.198 3.922 4.120 -0.000 0.000 0.251 507 V C 2.771 178.615 176.094 -0.416 0.000 1.063 507 V CA 2.385 64.468 62.300 -0.362 0.000 1.055 507 V CB -0.914 30.594 31.823 -0.526 0.000 0.657 507 V HN 0.536 nan 8.190 nan 0.000 0.455 508 R N 0.207 120.400 120.500 -0.511 0.000 2.073 508 R HA -0.144 4.195 4.340 -0.000 0.000 0.234 508 R C 2.307 178.509 176.300 -0.164 0.000 1.134 508 R CA 1.705 57.614 56.100 -0.318 0.000 0.952 508 R CB -0.470 29.668 30.300 -0.271 0.000 0.850 508 R HN 0.465 nan 8.270 nan 0.000 0.433 509 A N 1.074 123.793 122.820 -0.167 0.000 1.933 509 A HA -0.143 4.177 4.320 -0.000 0.000 0.218 509 A C 2.169 179.705 177.584 -0.081 0.000 1.175 509 A CA 1.348 53.318 52.037 -0.111 0.000 0.628 509 A CB -0.390 18.541 19.000 -0.114 0.000 0.814 509 A HN 0.382 nan 8.150 nan 0.000 0.444 510 R N -0.517 119.929 120.500 -0.091 0.000 2.073 510 R HA -0.020 4.320 4.340 -0.000 0.000 0.234 510 R C 2.045 178.337 176.300 -0.014 0.000 1.134 510 R CA 1.464 57.534 56.100 -0.050 0.000 0.952 510 R CB -0.527 29.741 30.300 -0.053 0.000 0.850 510 R HN 0.489 nan 8.270 nan 0.000 0.433 511 L N 0.592 121.811 121.223 -0.007 0.000 2.017 511 L HA -0.179 4.161 4.340 -0.000 0.000 0.208 511 L C 2.370 179.260 176.870 0.032 0.000 1.073 511 L CA 1.195 56.065 54.840 0.050 0.000 0.745 511 L CB -0.459 41.653 42.059 0.088 0.000 0.894 511 L HN 0.188 nan 8.230 nan 0.000 0.432 512 L N -0.938 120.286 121.223 0.001 0.000 2.127 512 L HA -0.210 4.130 4.340 -0.000 0.000 0.211 512 L C 2.635 179.503 176.870 -0.003 0.000 1.089 512 L CA 0.949 55.785 54.840 -0.005 0.000 0.757 512 L CB -0.454 41.586 42.059 -0.031 0.000 0.899 512 L HN 0.197 nan 8.230 nan 0.000 0.434 513 S N -0.993 114.702 115.700 -0.007 0.000 2.387 513 S HA -0.130 4.340 4.470 -0.000 0.000 0.226 513 S C 1.898 176.503 174.600 0.009 0.000 1.026 513 S CA 0.730 58.927 58.200 -0.005 0.000 0.972 513 S CB -0.088 63.104 63.200 -0.012 0.000 0.814 513 S HN 0.426 nan 8.310 nan 0.000 0.477 514 Q N 0.697 120.509 119.800 0.021 0.000 2.291 514 Q HA 0.075 4.415 4.340 -0.000 0.000 0.206 514 Q C 1.343 177.363 176.000 0.033 0.000 0.976 514 Q CA 0.758 56.581 55.803 0.033 0.000 0.875 514 Q CB -0.947 27.823 28.738 0.054 0.000 0.927 514 Q HN 0.556 nan 8.270 nan 0.000 0.450 515 G N -0.214 108.603 108.800 0.030 0.000 2.901 515 G HA2 -0.025 3.935 3.960 -0.000 0.000 0.654 515 G HA3 -0.025 3.935 3.960 -0.000 0.000 0.654 515 G C 0.494 175.417 174.900 0.039 0.000 1.550 515 G CA 0.259 45.375 45.100 0.028 0.000 0.978 515 G HN 0.754 nan 8.290 nan 0.000 0.566 516 G N 0.560 109.382 108.800 0.036 0.000 2.527 516 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.268 516 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.268 516 G C 1.371 176.303 174.900 0.054 0.000 1.175 516 G CA 1.178 46.302 45.100 0.041 0.000 0.962 516 G HN 1.473 nan 8.290 nan 0.000 0.560 517 R N 0.281 120.817 120.500 0.059 0.000 2.094 517 R HA -0.118 4.222 4.340 -0.000 0.000 0.239 517 R C 3.194 179.554 176.300 0.100 0.000 1.137 517 R CA 2.734 58.879 56.100 0.074 0.000 0.943 517 R CB -1.438 28.910 30.300 0.079 0.000 0.850 517 R HN 1.042 nan 8.270 nan 0.000 0.433 518 A N 1.319 124.206 122.820 0.112 0.000 1.940 518 A HA -0.113 4.207 4.320 -0.000 0.000 0.219 518 A C 2.458 180.108 177.584 0.110 0.000 1.176 518 A CA 1.995 54.118 52.037 0.143 0.000 0.631 518 A CB -0.613 18.467 19.000 0.133 0.000 0.814 518 A HN 0.416 nan 8.150 nan 0.000 0.446 519 A N -1.021 121.845 122.820 0.077 0.000 1.908 519 A HA -0.111 4.209 4.320 -0.000 0.000 0.218 519 A C 2.301 179.924 177.584 0.064 0.000 1.181 519 A CA 2.347 54.417 52.037 0.054 0.000 0.627 519 A CB -1.275 17.748 19.000 0.039 0.000 0.818 519 A HN 0.444 nan 8.150 nan 0.000 0.445 520 T N -0.832 113.774 114.554 0.087 0.000 2.746 520 T HA -0.183 4.167 4.350 -0.000 0.000 0.267 520 T C 1.911 176.684 174.700 0.123 0.000 1.039 520 T CA 1.484 63.667 62.100 0.139 0.000 1.142 520 T CB -0.697 68.222 68.868 0.085 0.000 0.866 520 T HN 0.581 nan 8.240 nan 0.000 0.444 521 C N 1.355 120.695 119.300 0.066 0.000 2.413 521 C HA -0.021 4.439 4.460 -0.000 0.000 0.277 521 C C 3.138 178.112 174.990 -0.026 0.000 1.228 521 C CA 0.766 59.770 59.018 -0.023 0.000 1.731 521 C CB -1.501 26.242 27.740 0.006 0.000 2.042 521 C HN 0.732 nan 8.230 nan 0.000 0.468 522 G N -0.317 108.532 108.800 0.081 0.000 2.432 522 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.219 522 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.219 522 G C 1.651 176.590 174.900 0.065 0.000 1.135 522 G CA 1.092 46.298 45.100 0.177 0.000 0.767 522 G HN 0.658 nan 8.290 nan 0.000 0.550 523 K N -0.882 119.504 120.400 -0.023 0.000 2.025 523 K HA -0.051 4.269 4.320 -0.000 0.000 0.207 523 K C 2.152 178.555 176.600 -0.328 0.000 1.049 523 K CA 1.098 57.285 56.287 -0.167 0.000 0.933 523 K CB -0.208 32.179 32.500 -0.188 0.000 0.714 523 K HN 0.406 nan 8.250 nan 0.000 0.438 524 Y N 0.518 120.626 120.300 -0.320 0.000 2.301 524 Y HA 0.036 4.586 4.550 -0.001 0.000 0.295 524 Y C 1.969 177.545 175.900 -0.540 0.000 1.119 524 Y CA 0.602 58.329 58.100 -0.622 0.000 1.162 524 Y CB -0.030 37.738 38.460 -1.153 0.000 1.046 524 Y HN -0.063 nan 8.280 nan 0.000 0.538 525 L N -1.682 119.361 121.223 -0.301 0.000 2.141 525 L HA -0.133 4.206 4.340 -0.000 0.000 0.209 525 L C 0.655 177.276 176.870 -0.416 0.000 1.094 525 L CA 1.284 55.908 54.840 -0.360 0.000 0.763 525 L CB -0.314 41.294 42.059 -0.751 0.000 0.908 525 L HN 0.163 nan 8.230 nan 0.000 0.437 526 F N -1.552 118.376 119.950 -0.036 0.000 2.735 526 F HA 0.182 4.709 4.527 -0.000 0.000 0.304 526 F C 1.678 177.193 175.800 -0.475 0.000 1.119 526 F CA -0.363 57.436 58.000 -0.334 0.000 1.280 526 F CB -0.707 38.088 39.000 -0.343 0.000 0.994 526 F HN 0.030 nan 8.300 nan 0.000 0.520 527 N N 0.932 119.575 118.700 -0.095 0.000 2.443 527 N HA -0.158 4.582 4.740 -0.000 0.000 0.184 527 N C 1.726 177.213 175.510 -0.037 0.000 1.037 527 N CA 1.255 54.254 53.050 -0.084 0.000 0.896 527 N CB -0.018 38.438 38.487 -0.052 0.000 0.959 527 N HN 0.578 nan 8.380 nan 0.000 0.442 528 W N -0.047 121.302 121.300 0.082 0.000 2.699 528 W HA 0.203 4.863 4.660 0.000 0.000 0.249 528 W C 1.325 177.906 176.519 0.102 0.000 1.280 528 W CA 0.423 57.825 57.345 0.094 0.000 1.345 528 W CB -0.611 28.918 29.460 0.114 0.000 1.128 528 W HN -0.031 nan 8.180 nan 0.000 0.642 529 A N 1.594 123.988 122.820 -0.711 0.000 2.081 529 A HA 0.170 4.490 4.320 -0.000 0.000 0.214 529 A C 1.122 178.558 177.584 -0.247 0.000 1.158 529 A CA 0.989 52.651 52.037 -0.624 0.000 0.724 529 A CB -0.831 17.618 19.000 -0.919 0.000 0.826 529 A HN 0.083 nan 8.150 nan 0.000 0.463 530 V N -2.333 117.469 119.914 -0.188 0.000 2.567 530 V HA 0.350 4.470 4.120 -0.000 0.000 0.289 530 V C 0.785 176.848 176.094 -0.053 0.000 1.049 530 V CA -0.731 61.502 62.300 -0.111 0.000 0.969 530 V CB 1.221 32.977 31.823 -0.112 0.000 0.995 530 V HN 0.367 nan 8.190 nan 0.000 0.471 531 K N 1.639 122.016 120.400 -0.038 0.000 2.026 531 K HA -0.024 4.296 4.320 -0.000 0.000 0.208 531 K C 0.672 177.258 176.600 -0.025 0.000 1.048 531 K CA 1.651 57.926 56.287 -0.019 0.000 0.929 531 K CB -0.186 32.304 32.500 -0.016 0.000 0.713 531 K HN 0.814 nan 8.250 nan 0.000 0.439 532 T N 3.210 117.743 114.554 -0.035 0.000 3.005 532 T HA 0.153 4.503 4.350 -0.000 0.000 0.323 532 T C -0.310 174.363 174.700 -0.044 0.000 1.131 532 T CA -0.618 61.461 62.100 -0.035 0.000 0.977 532 T CB 0.559 69.406 68.868 -0.036 0.000 1.055 532 T HN -0.020 nan 8.240 nan 0.000 0.562 533 K N 2.342 122.720 120.400 -0.037 0.000 2.402 533 K HA 0.229 4.548 4.320 -0.000 0.000 0.265 533 K C 0.529 177.094 176.600 -0.059 0.000 0.978 533 K CA -0.107 56.154 56.287 -0.042 0.000 0.913 533 K CB 0.738 33.228 32.500 -0.017 0.000 0.954 533 K HN 0.440 nan 8.250 nan 0.000 0.511 534 L N 0.943 122.114 121.223 -0.087 0.000 2.492 534 L HA 0.201 4.541 4.340 -0.000 0.000 0.263 534 L C 2.032 178.844 176.870 -0.096 0.000 1.062 534 L CA -0.659 54.117 54.840 -0.107 0.000 0.817 534 L CB 0.609 42.567 42.059 -0.168 0.000 1.441 534 L HN 0.630 nan 8.230 nan 0.000 0.493 535 K N 0.476 120.818 120.400 -0.097 0.000 1.973 535 K HA -0.028 4.292 4.320 -0.000 0.000 0.212 535 K C -0.003 176.558 176.600 -0.065 0.000 1.047 535 K CA 0.733 56.983 56.287 -0.062 0.000 0.937 535 K CB -0.242 32.231 32.500 -0.045 0.000 0.721 535 K HN 0.362 nan 8.250 nan 0.000 0.440 536 L N 2.786 123.918 121.223 -0.151 0.000 3.000 536 L HA -0.148 4.192 4.340 -0.000 0.000 0.682 536 L C -0.502 176.448 176.870 0.132 0.000 1.047 536 L CA 0.419 55.180 54.840 -0.131 0.000 1.334 536 L CB -1.837 40.181 42.059 -0.069 0.000 1.859 536 L HN 0.807 nan 8.230 nan 0.000 0.890 537 T N -0.106 114.585 114.554 0.227 0.000 2.942 537 T HA 0.798 5.148 4.350 -0.000 0.000 0.289 537 T C -2.521 172.315 174.700 0.226 0.000 1.044 537 T CA -2.194 60.022 62.100 0.193 0.000 1.023 537 T CB 2.360 71.297 68.868 0.115 0.000 1.123 537 T HN 0.144 nan 8.240 nan 0.000 0.512 538 P HA 0.172 nan 4.420 nan 0.000 0.264 538 P C -0.617 176.693 177.300 0.018 0.000 1.179 538 P CA 0.052 63.190 63.100 0.064 0.000 0.763 538 P CB 0.165 31.891 31.700 0.043 0.000 0.806 539 I N 5.498 126.030 120.570 -0.063 0.000 2.342 539 I HA 0.154 4.323 4.170 -0.000 0.000 0.291 539 I C -1.292 174.792 176.117 -0.055 0.000 1.010 539 I CA -2.125 59.113 61.300 -0.102 0.000 1.308 539 I CB 1.411 39.275 38.000 -0.227 0.000 1.400 539 I HN 0.314 nan 8.210 nan 0.000 0.488 540 P HA -0.215 nan 4.420 nan 0.000 0.212 540 P C 1.391 178.672 177.300 -0.031 0.000 1.178 540 P CA 1.317 64.404 63.100 -0.022 0.000 0.915 540 P CB 0.211 31.905 31.700 -0.010 0.000 0.788 541 A N -0.513 122.287 122.820 -0.034 0.000 2.178 541 A HA -0.053 4.267 4.320 -0.000 0.000 0.218 541 A C 2.188 179.741 177.584 -0.050 0.000 1.157 541 A CA 1.584 53.600 52.037 -0.035 0.000 0.689 541 A CB -1.498 17.486 19.000 -0.027 0.000 0.787 541 A HN 0.202 nan 8.150 nan 0.000 0.465 542 A N 0.489 123.272 122.820 -0.062 0.000 1.978 542 A HA -0.124 4.196 4.320 -0.000 0.000 0.220 542 A C 2.427 179.964 177.584 -0.079 0.000 1.170 542 A CA 2.158 54.150 52.037 -0.075 0.000 0.636 542 A CB -0.782 18.174 19.000 -0.074 0.000 0.810 542 A HN 1.021 nan 8.150 nan 0.000 0.448 543 S N -0.686 114.977 115.700 -0.062 0.000 2.496 543 S HA -0.102 4.368 4.470 -0.000 0.000 0.224 543 S C 1.655 176.218 174.600 -0.062 0.000 0.996 543 S CA 0.828 58.992 58.200 -0.060 0.000 0.927 543 S CB -0.367 62.808 63.200 -0.042 0.000 0.774 543 S HN 0.714 nan 8.310 nan 0.000 0.524 544 Q N 0.699 120.465 119.800 -0.056 0.000 2.369 544 Q HA 0.227 4.567 4.340 -0.000 0.000 0.206 544 Q C 0.160 176.121 176.000 -0.065 0.000 0.963 544 Q CA 0.274 56.047 55.803 -0.049 0.000 0.894 544 Q CB -0.371 28.346 28.738 -0.035 0.000 0.965 544 Q HN 0.542 nan 8.270 nan 0.000 0.475 545 L N 1.965 123.133 121.223 -0.093 0.000 2.453 545 L HA 0.043 4.383 4.340 -0.000 0.000 0.272 545 L C -0.036 176.740 176.870 -0.157 0.000 1.182 545 L CA -0.189 54.571 54.840 -0.133 0.000 0.858 545 L CB 0.292 42.236 42.059 -0.192 0.000 1.120 545 L HN -0.006 nan 8.230 nan 0.000 0.474 546 D N 3.852 124.163 120.400 -0.149 0.000 2.493 546 D HA 0.332 4.972 4.640 -0.000 0.000 0.235 546 D C -0.437 175.735 176.300 -0.213 0.000 1.117 546 D CA -0.349 53.570 54.000 -0.135 0.000 0.930 546 D CB 0.530 41.292 40.800 -0.063 0.000 1.010 546 D HN 0.212 nan 8.370 nan 0.000 0.514 547 L N 2.893 123.908 121.223 -0.346 0.000 3.048 547 L HA 0.222 4.562 4.340 -0.000 0.000 0.234 547 L C 1.828 178.587 176.870 -0.184 0.000 1.318 547 L CA -0.161 54.331 54.840 -0.579 0.000 1.109 547 L CB 0.010 41.489 42.059 -0.967 0.000 1.480 547 L HN 0.329 nan 8.230 nan 0.000 0.495 548 S N -1.036 114.636 115.700 -0.047 0.000 2.345 548 S HA -0.039 4.431 4.470 -0.000 0.000 0.219 548 S C 1.680 176.334 174.600 0.090 0.000 1.031 548 S CA 0.808 59.019 58.200 0.018 0.000 0.984 548 S CB -0.498 62.704 63.200 0.002 0.000 0.874 548 S HN 0.435 nan 8.310 nan 0.000 0.451 549 G N -1.023 107.850 108.800 0.121 0.000 3.448 549 G HA2 0.251 4.211 3.960 -0.000 0.000 0.261 549 G HA3 0.251 4.211 3.960 -0.000 0.000 0.261 549 G C 0.420 175.495 174.900 0.291 0.000 1.173 549 G CA -0.518 44.672 45.100 0.150 0.000 0.835 549 G HN 0.434 nan 8.290 nan 0.000 0.534 550 W N 0.335 121.567 121.300 -0.115 0.000 2.418 550 W HA 0.265 4.925 4.660 -0.001 0.000 0.292 550 W C 0.235 176.326 176.519 -0.713 0.000 1.213 550 W CA 0.483 57.529 57.345 -0.499 0.000 1.283 550 W CB -0.025 28.939 29.460 -0.826 0.000 1.119 550 W HN 0.125 nan 8.180 nan 0.000 0.542 551 F N -0.798 119.339 119.950 0.313 0.000 2.622 551 F HA 0.300 4.827 4.527 -0.000 0.000 0.338 551 F C 0.402 176.358 175.800 0.261 0.000 1.334 551 F CA -0.653 57.531 58.000 0.306 0.000 1.179 551 F CB -0.044 39.095 39.000 0.232 0.000 1.471 551 F HN -0.409 nan 8.300 nan 0.000 0.576 552 V N 0.029 120.173 119.914 0.384 0.000 2.996 552 V HA 0.657 4.776 4.120 -0.000 0.000 0.235 552 V C 0.846 177.096 176.094 0.260 0.000 1.205 552 V CA 0.687 63.148 62.300 0.268 0.000 1.225 552 V CB 0.589 32.544 31.823 0.221 0.000 0.995 552 V HN 0.452 nan 8.190 nan 0.000 0.484 553 A N -0.722 122.210 122.820 0.186 0.000 2.588 553 A HA 0.787 5.107 4.320 -0.000 0.000 0.290 553 A C -0.301 176.944 177.584 -0.566 0.000 1.136 553 A CA 0.078 52.084 52.037 -0.052 0.000 0.681 553 A CB 0.953 19.802 19.000 -0.252 0.000 1.282 553 A HN 0.409 nan 8.150 nan 0.000 0.421 554 G N -1.500 106.642 108.800 -1.097 0.000 2.389 554 G HA2 0.542 4.502 3.960 -0.000 0.000 0.317 554 G HA3 0.542 4.502 3.960 -0.000 0.000 0.317 554 G C -0.886 173.344 174.900 -1.117 0.000 1.137 554 G CA -0.065 44.013 45.100 -1.703 0.000 0.870 554 G HN 0.604 nan 8.290 nan 0.000 0.496 555 Y N 0.216 120.283 120.300 -0.389 0.000 2.779 555 Y HA 0.247 4.797 4.550 -0.000 0.000 0.251 555 Y C 1.250 177.061 175.900 -0.149 0.000 1.145 555 Y CA -0.818 57.161 58.100 -0.202 0.000 1.201 555 Y CB 0.317 38.688 38.460 -0.150 0.000 1.281 555 Y HN 0.382 nan 8.280 nan 0.000 0.563 556 S N 1.159 116.824 115.700 -0.059 0.000 2.673 556 S HA 0.258 4.728 4.470 -0.000 0.000 0.308 556 S C 1.380 175.992 174.600 0.020 0.000 1.246 556 S CA 1.329 59.524 58.200 -0.007 0.000 1.077 556 S CB -0.018 63.181 63.200 -0.001 0.000 0.814 556 S HN 0.926 nan 8.310 nan 0.000 0.503 557 G N 3.057 111.871 108.800 0.022 0.000 2.184 557 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.264 557 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.264 557 G C 0.776 175.701 174.900 0.043 0.000 0.975 557 G CA 0.226 45.345 45.100 0.031 0.000 0.642 557 G HN 1.054 nan 8.290 nan 0.000 0.536 558 G N -0.128 108.703 108.800 0.050 0.000 2.985 558 G HA2 0.372 4.332 3.960 -0.000 0.000 0.209 558 G HA3 0.372 4.332 3.960 -0.000 0.000 0.209 558 G C 0.486 175.405 174.900 0.030 0.000 1.165 558 G CA 1.112 46.259 45.100 0.078 0.000 0.776 558 G HN 1.258 nan 8.290 nan 0.000 0.541 559 D N -0.446 119.941 120.400 -0.022 0.000 2.697 559 D HA -0.166 4.474 4.640 -0.000 0.000 0.238 559 D C -0.184 176.057 176.300 -0.099 0.000 1.152 559 D CA 0.347 54.311 54.000 -0.061 0.000 0.666 559 D CB -1.104 39.675 40.800 -0.034 0.000 1.037 559 D HN 0.091 nan 8.370 nan 0.000 0.423 560 I N 1.562 122.027 120.570 -0.175 0.000 2.404 560 I HA 0.367 4.537 4.170 -0.000 0.000 0.293 560 I C -0.193 175.682 176.117 -0.403 0.000 0.992 560 I CA -0.772 60.324 61.300 -0.340 0.000 1.149 560 I CB 1.318 38.953 38.000 -0.608 0.000 1.315 560 I HN 0.129 nan 8.210 nan 0.000 0.446 561 Y N 5.820 125.814 120.300 -0.509 0.000 2.391 561 Y HA 0.443 4.993 4.550 -0.000 0.000 0.341 561 Y C -0.820 174.814 175.900 -0.442 0.000 0.965 561 Y CA -0.577 57.234 58.100 -0.481 0.000 1.067 561 Y CB 1.309 39.604 38.460 -0.275 0.000 1.199 561 Y HN 0.533 nan 8.280 nan 0.000 0.450 562 H N 3.660 122.032 119.070 -1.163 0.000 2.725 562 H HA 0.289 4.845 4.556 -0.000 0.000 0.283 562 H C -0.485 174.324 175.328 -0.864 0.000 1.110 562 H CA -0.917 54.612 56.048 -0.866 0.000 1.289 562 H CB 0.886 30.127 29.762 -0.867 0.000 1.400 562 H HN 0.663 nan 8.280 nan 0.000 0.493 563 S N 3.637 119.053 115.700 -0.473 0.000 2.506 563 S HA 0.023 4.493 4.470 -0.000 0.000 0.291 563 S C 0.279 174.853 174.600 -0.042 0.000 1.230 563 S CA -0.709 57.363 58.200 -0.212 0.000 1.107 563 S CB 0.332 63.588 63.200 0.093 0.000 0.942 563 S HN 0.338 nan 8.310 nan 0.000 0.502 564 L N 3.256 124.496 121.223 0.029 0.000 2.461 564 L HA 0.572 4.911 4.340 -0.000 0.000 0.272 564 L C 0.261 177.180 176.870 0.081 0.000 1.197 564 L CA 1.060 55.982 54.840 0.137 0.000 0.836 564 L CB 1.208 43.403 42.059 0.228 0.000 1.105 564 L HN 0.946 nan 8.230 nan 0.000 0.477 565 S N 3.276 119.013 115.700 0.062 0.000 2.556 565 S HA 0.517 4.987 4.470 -0.000 0.000 0.280 565 S C -0.525 174.079 174.600 0.008 0.000 1.141 565 S CA -0.905 57.315 58.200 0.033 0.000 0.883 565 S CB 0.816 64.032 63.200 0.026 0.000 1.103 565 S HN 0.715 nan 8.310 nan 0.000 0.453 566 R N 0.000 120.500 120.500 0.001 0.000 2.786 566 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 566 R CA 0.000 56.091 56.100 -0.016 0.000 0.921 566 R CB 0.000 30.293 30.300 -0.012 0.000 0.687 566 R HN 0.000 nan 8.270 nan 0.000 0.535