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 2giq_1_B DATA FIRST_RESID 1 DATA SEQUENCE HMSYTWTGAL 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 VVICESAGTQ EDAASLRVFT 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 AASRLDLSGW DATA SEQUENCE FVAGYSGGDI YH 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 0.000 175.300 175.328 -0.046 0.000 0.993 1 H CA 0.000 56.030 56.048 -0.030 0.000 1.023 1 H CB 0.000 29.750 29.762 -0.020 0.000 1.292 2 M N 0.879 120.472 119.600 -0.012 0.000 2.233 2 M HA 0.172 4.654 4.480 0.004 0.000 0.350 2 M C 1.665 177.865 176.300 -0.167 0.000 1.176 2 M CA 0.128 55.393 55.300 -0.059 0.000 1.150 2 M CB 1.034 33.604 32.600 -0.051 0.000 1.530 2 M HN 0.541 nan 8.290 nan 0.000 0.459 3 S N 2.181 117.707 115.700 -0.291 0.000 2.399 3 S HA -0.070 4.402 4.470 0.004 0.000 0.231 3 S C 0.085 174.273 174.600 -0.687 0.000 1.022 3 S CA 0.916 58.819 58.200 -0.494 0.000 0.983 3 S CB -0.184 62.625 63.200 -0.652 0.000 0.803 3 S HN 0.650 nan 8.310 nan 0.000 0.480 4 Y N 0.641 120.752 120.300 -0.315 0.000 2.571 4 Y HA 0.552 5.105 4.550 0.005 0.000 0.341 4 Y C -0.095 175.481 175.900 -0.541 0.000 1.076 4 Y CA -0.910 56.871 58.100 -0.531 0.000 1.029 4 Y CB 1.941 39.893 38.460 -0.846 0.000 1.308 4 Y HN 0.126 nan 8.280 nan 0.000 0.461 5 T N -2.373 111.914 114.554 -0.445 0.000 2.893 5 T HA 0.739 5.091 4.350 0.004 0.000 0.291 5 T C -1.313 173.120 174.700 -0.444 0.000 1.028 5 T CA -0.816 61.088 62.100 -0.327 0.000 0.995 5 T CB 1.374 70.171 68.868 -0.118 0.000 1.051 5 T HN 0.572 nan 8.240 nan 0.000 0.470 6 W N 0.447 121.797 121.300 0.084 0.000 2.864 6 W HA 0.497 5.159 4.660 0.003 0.000 0.343 6 W C 1.248 177.792 176.519 0.042 0.000 1.109 6 W CA -0.794 56.586 57.345 0.058 0.000 1.192 6 W CB 2.216 31.694 29.460 0.030 0.000 1.426 6 W HN 0.892 nan 8.180 nan 0.000 0.529 7 T N -2.697 112.045 114.554 0.314 0.000 3.037 7 T HA 0.337 4.689 4.350 0.004 0.000 0.251 7 T C 1.415 176.194 174.700 0.132 0.000 1.079 7 T CA 0.787 62.992 62.100 0.173 0.000 1.067 7 T CB 0.183 69.131 68.868 0.133 0.000 0.948 7 T HN 1.269 nan 8.240 nan 0.000 0.496 8 G N 1.469 110.349 108.800 0.133 0.000 2.232 8 G HA2 -0.025 3.938 3.960 0.004 0.000 0.226 8 G HA3 -0.025 3.938 3.960 0.004 0.000 0.226 8 G C 0.420 175.333 174.900 0.021 0.000 0.996 8 G CA -0.127 45.004 45.100 0.051 0.000 0.626 8 G HN 1.162 nan 8.290 nan 0.000 0.509 9 A N 0.688 123.536 122.820 0.046 0.000 2.520 9 A HA 0.596 4.918 4.320 0.004 0.000 0.235 9 A C 0.809 178.390 177.584 -0.006 0.000 1.065 9 A CA 0.373 52.426 52.037 0.026 0.000 0.764 9 A CB 0.179 19.206 19.000 0.046 0.000 1.002 9 A HN 0.931 nan 8.150 nan 0.000 0.502 10 L N 1.530 122.742 121.223 -0.020 0.000 2.418 10 L HA 0.292 4.634 4.340 0.004 0.000 0.265 10 L C 0.003 176.850 176.870 -0.038 0.000 1.143 10 L CA -0.329 54.482 54.840 -0.048 0.000 0.809 10 L CB 0.802 42.840 42.059 -0.036 0.000 1.124 10 L HN 0.566 nan 8.230 nan 0.000 0.456 11 I N 1.538 122.069 120.570 -0.065 0.000 2.363 11 I HA 0.086 4.258 4.170 0.004 0.000 0.292 11 I C 0.470 176.577 176.117 -0.017 0.000 1.075 11 I CA -0.000 61.277 61.300 -0.037 0.000 1.333 11 I CB 0.726 38.690 38.000 -0.060 0.000 1.415 11 I HN 0.629 nan 8.210 nan 0.000 0.502 12 T N 5.041 119.595 114.554 -0.000 0.000 2.929 12 T HA 0.586 4.938 4.350 0.004 0.000 0.284 12 T C -2.425 172.287 174.700 0.020 0.000 1.014 12 T CA -2.020 60.084 62.100 0.007 0.000 1.051 12 T CB 1.726 70.598 68.868 0.006 0.000 1.028 12 T HN 0.236 nan 8.240 nan 0.000 0.485 13 P HA 0.349 nan 4.420 nan 0.000 0.276 13 P C 0.103 177.422 177.300 0.032 0.000 1.261 13 P CA -0.729 62.391 63.100 0.033 0.000 0.800 13 P CB 0.834 32.554 31.700 0.032 0.000 1.066 14 C N -0.337 118.986 119.300 0.038 0.000 2.558 14 C HA 0.528 4.990 4.460 0.004 0.000 0.288 14 C C 1.299 176.305 174.990 0.027 0.000 1.338 14 C CA 0.964 60.002 59.018 0.033 0.000 1.760 14 C CB -0.596 27.169 27.740 0.041 0.000 2.159 14 C HN 0.698 nan 8.230 nan 0.000 0.518 15 A N -0.448 122.391 122.820 0.031 0.000 2.567 15 A HA 0.761 5.083 4.320 0.004 0.000 0.289 15 A C -0.797 176.810 177.584 0.038 0.000 1.177 15 A CA 0.119 52.175 52.037 0.031 0.000 0.694 15 A CB -0.203 18.815 19.000 0.030 0.000 1.292 15 A HN 0.549 nan 8.150 nan 0.000 0.425 16 A N 0.195 123.039 122.820 0.040 0.000 2.567 16 A HA 0.457 4.779 4.320 0.004 0.000 0.240 16 A C 0.059 177.682 177.584 0.065 0.000 1.053 16 A CA 0.652 52.718 52.037 0.049 0.000 0.755 16 A CB -0.472 18.556 19.000 0.048 0.000 0.978 16 A HN 0.614 nan 8.150 nan 0.000 0.507 17 E N 1.518 121.762 120.200 0.073 0.000 2.195 17 E HA 0.415 4.767 4.350 0.004 0.000 0.271 17 E C -0.859 175.818 176.600 0.128 0.000 0.923 17 E CA -0.516 55.941 56.400 0.095 0.000 0.790 17 E CB 1.749 31.495 29.700 0.077 0.000 1.155 17 E HN 0.763 nan 8.360 nan 0.000 0.402 18 E N 0.657 120.975 120.200 0.197 0.000 2.183 18 E HA 0.185 4.537 4.350 0.004 0.000 0.271 18 E C 0.006 176.817 176.600 0.351 0.000 0.919 18 E CA -0.255 56.303 56.400 0.264 0.000 0.781 18 E CB 1.645 31.543 29.700 0.331 0.000 1.140 18 E HN 0.555 nan 8.360 nan 0.000 0.402 19 S N 2.135 118.024 115.700 0.315 0.000 2.539 19 S HA 0.130 4.602 4.470 0.004 0.000 0.226 19 S C 0.566 175.439 174.600 0.455 0.000 1.054 19 S CA -0.176 58.235 58.200 0.351 0.000 0.910 19 S CB 0.262 63.604 63.200 0.237 0.000 0.818 19 S HN 0.214 nan 8.310 nan 0.000 0.490 20 K N 1.507 122.099 120.400 0.321 0.000 2.205 20 K HA 0.362 4.684 4.320 0.004 0.000 0.279 20 K C -0.807 175.835 176.600 0.070 0.000 1.027 20 K CA -0.691 55.727 56.287 0.219 0.000 0.932 20 K CB 1.004 33.566 32.500 0.103 0.000 1.032 20 K HN 0.204 nan 8.250 nan 0.000 0.466 21 L N 6.021 127.273 121.223 0.047 0.000 2.615 21 L HA 0.052 4.394 4.340 0.004 0.000 0.271 21 L C -2.338 174.271 176.870 -0.434 0.000 1.183 21 L CA -0.808 53.864 54.840 -0.280 0.000 0.933 21 L CB -0.146 41.900 42.059 -0.022 0.000 1.199 21 L HN 0.428 nan 8.230 nan 0.000 0.487 22 P HA 0.222 nan 4.420 nan 0.000 0.271 22 P C -0.983 176.081 177.300 -0.393 0.000 1.216 22 P CA -0.076 62.733 63.100 -0.485 0.000 0.776 22 P CB 0.612 31.976 31.700 -0.561 0.000 0.881 23 I N 3.062 123.456 120.570 -0.294 0.000 2.433 23 I HA 0.377 4.549 4.170 0.004 0.000 0.292 23 I C 0.419 176.427 176.117 -0.181 0.000 1.001 23 I CA -0.650 60.483 61.300 -0.279 0.000 1.119 23 I CB 1.452 39.270 38.000 -0.304 0.000 1.289 23 I HN 0.482 nan 8.210 nan 0.000 0.438 24 N N 4.284 122.895 118.700 -0.147 0.000 3.283 24 N HA 0.453 5.196 4.740 0.004 0.000 0.338 24 N C 0.483 175.955 175.510 -0.064 0.000 1.517 24 N CA -0.367 52.626 53.050 -0.096 0.000 0.733 24 N CB 0.532 38.963 38.487 -0.093 0.000 1.797 24 N HN 0.383 nan 8.380 nan 0.000 0.637 25 A N -0.521 122.272 122.820 -0.046 0.000 2.070 25 A HA 0.081 4.404 4.320 0.004 0.000 0.220 25 A C 1.811 179.384 177.584 -0.019 0.000 1.159 25 A CA 1.046 53.066 52.037 -0.029 0.000 0.656 25 A CB -0.937 18.047 19.000 -0.026 0.000 0.800 25 A HN 0.540 nan 8.150 nan 0.000 0.453 26 L N -1.255 119.955 121.223 -0.021 0.000 2.513 26 L HA 0.039 4.381 4.340 0.004 0.000 0.222 26 L C 2.442 179.345 176.870 0.056 0.000 1.096 26 L CA 0.455 55.301 54.840 0.010 0.000 0.857 26 L CB -0.134 41.910 42.059 -0.025 0.000 1.026 26 L HN 0.206 nan 8.230 nan 0.000 0.469 27 S N 0.705 116.412 115.700 0.012 0.000 2.359 27 S HA -0.156 4.316 4.470 0.004 0.000 0.224 27 S C 1.685 176.334 174.600 0.082 0.000 1.035 27 S CA 1.553 59.761 58.200 0.014 0.000 1.018 27 S CB -0.269 62.870 63.200 -0.101 0.000 0.876 27 S HN 0.466 nan 8.310 nan 0.000 0.448 28 N N 1.472 120.231 118.700 0.098 0.000 2.453 28 N HA -0.032 4.710 4.740 0.004 0.000 0.183 28 N C 1.817 177.354 175.510 0.045 0.000 1.041 28 N CA 1.076 54.193 53.050 0.112 0.000 0.900 28 N CB -0.456 38.087 38.487 0.093 0.000 0.961 28 N HN 0.575 nan 8.380 nan 0.000 0.443 29 S N -0.317 115.409 115.700 0.042 0.000 2.423 29 S HA -0.053 4.420 4.470 0.004 0.000 0.231 29 S C 1.792 176.409 174.600 0.029 0.000 1.014 29 S CA 0.475 58.682 58.200 0.011 0.000 0.965 29 S CB -0.157 63.074 63.200 0.053 0.000 0.785 29 S HN 0.227 nan 8.310 nan 0.000 0.495 30 L N -0.242 121.001 121.223 0.034 0.000 2.349 30 L HA 0.594 4.936 4.340 0.004 0.000 0.200 30 L C 0.121 177.031 176.870 0.068 0.000 1.064 30 L CA 0.816 55.666 54.840 0.018 0.000 0.821 30 L CB 0.237 42.066 42.059 -0.383 0.000 1.027 30 L HN 0.470 nan 8.230 nan 0.000 0.476 31 L N -0.739 120.518 121.223 0.057 0.000 2.516 31 L HA 0.396 4.738 4.340 0.004 0.000 0.267 31 L C 0.373 177.283 176.870 0.067 0.000 0.957 31 L CA -0.277 54.597 54.840 0.057 0.000 0.860 31 L CB 1.505 43.624 42.059 0.099 0.000 1.265 31 L HN -0.010 nan 8.230 nan 0.000 0.403 32 R N 1.331 121.758 120.500 -0.122 0.000 2.254 32 R HA 0.195 4.537 4.340 0.004 0.000 0.193 32 R C -0.061 176.006 176.300 -0.387 0.000 0.929 32 R CA 0.132 56.060 56.100 -0.287 0.000 1.038 32 R CB 0.242 30.412 30.300 -0.217 0.000 1.009 32 R HN 0.642 nan 8.270 nan 0.000 0.512 33 H N 0.346 119.308 119.070 -0.179 0.000 2.745 33 H HA 0.101 4.658 4.556 0.003 0.000 0.235 33 H C 0.402 175.724 175.328 -0.011 0.000 1.815 33 H CA -0.334 55.644 56.048 -0.117 0.000 1.321 33 H CB 0.095 29.841 29.762 -0.026 0.000 1.716 33 H HN 0.318 nan 8.280 nan 0.000 0.546 34 H N 0.472 119.636 119.070 0.157 0.000 2.421 34 H HA -0.133 4.426 4.556 0.004 0.000 0.298 34 H C 1.498 176.903 175.328 0.130 0.000 1.087 34 H CA 0.570 56.686 56.048 0.114 0.000 1.330 34 H CB 0.335 30.138 29.762 0.069 0.000 1.388 34 H HN 0.479 nan 8.280 nan 0.000 0.526 35 N N 0.493 119.322 118.700 0.216 0.000 2.520 35 N HA -0.090 4.652 4.740 0.004 0.000 0.185 35 N C 1.324 176.938 175.510 0.173 0.000 1.068 35 N CA 0.893 54.041 53.050 0.163 0.000 0.911 35 N CB -0.019 38.523 38.487 0.092 0.000 0.961 35 N HN 0.504 nan 8.380 nan 0.000 0.446 36 M N -0.233 119.483 119.600 0.193 0.000 2.558 36 M HA 0.058 4.540 4.480 0.004 0.000 0.255 36 M C 0.020 176.494 176.300 0.290 0.000 1.113 36 M CA 0.392 55.816 55.300 0.208 0.000 1.097 36 M CB 0.526 33.236 32.600 0.183 0.000 1.426 36 M HN -0.238 nan 8.290 nan 0.000 0.488 37 V N 0.984 121.081 119.914 0.304 0.000 2.472 37 V HA 0.372 4.494 4.120 0.004 0.000 0.290 37 V C -0.800 175.558 176.094 0.440 0.000 1.037 37 V CA -0.754 61.741 62.300 0.325 0.000 0.908 37 V CB 0.873 32.867 31.823 0.285 0.000 0.985 37 V HN 0.317 nan 8.190 nan 0.000 0.454 38 Y N 2.351 122.809 120.300 0.264 0.000 2.625 38 Y HA 0.910 5.461 4.550 0.002 0.000 0.338 38 Y C -0.475 175.506 175.900 0.134 0.000 1.123 38 Y CA -1.496 56.765 58.100 0.269 0.000 1.046 38 Y CB 1.464 40.042 38.460 0.197 0.000 1.299 38 Y HN 0.708 nan 8.280 nan 0.000 0.464 39 A N 1.475 124.351 122.820 0.093 0.000 2.337 39 A HA 0.678 5.000 4.320 0.004 0.000 0.329 39 A C -0.054 177.599 177.584 0.116 0.000 1.146 39 A CA -0.363 51.530 52.037 -0.239 0.000 0.800 39 A CB 0.399 19.031 19.000 -0.613 0.000 1.220 39 A HN 1.088 nan 8.150 nan 0.000 0.472 40 T N 0.130 114.740 114.554 0.094 0.000 2.918 40 T HA 0.542 4.894 4.350 0.004 0.000 0.302 40 T C 0.404 175.159 174.700 0.092 0.000 1.045 40 T CA 0.409 62.623 62.100 0.189 0.000 1.114 40 T CB 0.685 69.683 68.868 0.218 0.000 0.965 40 T HN 1.443 nan 8.240 nan 0.000 0.540 41 T N -2.054 112.560 114.554 0.100 0.000 2.838 41 T HA 0.483 4.835 4.350 0.004 0.000 0.292 41 T C 1.422 176.153 174.700 0.052 0.000 1.113 41 T CA -0.236 61.905 62.100 0.068 0.000 1.008 41 T CB 1.217 70.130 68.868 0.075 0.000 1.259 41 T HN 0.768 nan 8.240 nan 0.000 0.520 42 S N 0.162 115.885 115.700 0.038 0.000 2.440 42 S HA -0.162 4.310 4.470 0.004 0.000 0.238 42 S C 1.827 176.432 174.600 0.007 0.000 1.010 42 S CA 0.653 58.865 58.200 0.020 0.000 0.972 42 S CB -0.757 62.453 63.200 0.017 0.000 0.774 42 S HN 0.713 nan 8.310 nan 0.000 0.501 43 R N 1.426 121.937 120.500 0.019 0.000 2.139 43 R HA -0.075 4.267 4.340 0.004 0.000 0.243 43 R C 2.391 178.688 176.300 -0.005 0.000 1.145 43 R CA 1.646 57.751 56.100 0.009 0.000 0.976 43 R CB -0.551 29.762 30.300 0.022 0.000 0.866 43 R HN 0.771 nan 8.270 nan 0.000 0.449 44 S N -0.720 114.983 115.700 0.004 0.000 2.556 44 S HA 0.200 4.672 4.470 0.004 0.000 0.216 44 S C 1.906 176.487 174.600 -0.032 0.000 0.970 44 S CA 0.251 58.447 58.200 -0.007 0.000 0.912 44 S CB 0.720 63.931 63.200 0.019 0.000 0.790 44 S HN 0.281 nan 8.310 nan 0.000 0.504 45 A N 2.158 124.953 122.820 -0.043 0.000 1.948 45 A HA 0.070 4.393 4.320 0.004 0.000 0.220 45 A C 2.285 179.776 177.584 -0.156 0.000 1.177 45 A CA 1.731 53.718 52.037 -0.083 0.000 0.636 45 A CB -1.721 17.229 19.000 -0.084 0.000 0.815 45 A HN 0.660 nan 8.150 nan 0.000 0.449 46 G N -0.467 108.240 108.800 -0.154 0.000 2.422 46 G HA2 -0.128 3.834 3.960 0.004 0.000 0.218 46 G HA3 -0.128 3.834 3.960 0.004 0.000 0.218 46 G C 1.450 176.249 174.900 -0.168 0.000 1.146 46 G CA 1.196 46.175 45.100 -0.202 0.000 0.769 46 G HN 0.517 nan 8.290 nan 0.000 0.547 47 L N 0.636 121.798 121.223 -0.101 0.000 2.056 47 L HA 0.146 4.488 4.340 0.004 0.000 0.207 47 L C 2.695 179.531 176.870 -0.056 0.000 1.078 47 L CA 1.949 56.750 54.840 -0.065 0.000 0.749 47 L CB -0.611 41.426 42.059 -0.038 0.000 0.901 47 L HN 0.190 nan 8.230 nan 0.000 0.433 48 R N -0.186 120.278 120.500 -0.059 0.000 2.091 48 R HA -0.181 4.161 4.340 0.004 0.000 0.238 48 R C 2.256 178.518 176.300 -0.064 0.000 1.136 48 R CA 1.934 58.014 56.100 -0.034 0.000 0.959 48 R CB -0.611 29.674 30.300 -0.025 0.000 0.856 48 R HN 0.586 nan 8.270 nan 0.000 0.437 49 Q N 0.030 119.708 119.800 -0.204 0.000 2.077 49 Q HA -0.226 4.116 4.340 0.004 0.000 0.206 49 Q C 2.020 177.961 176.000 -0.099 0.000 0.989 49 Q CA 2.383 57.969 55.803 -0.362 0.000 0.853 49 Q CB -0.133 28.076 28.738 -0.882 0.000 0.907 49 Q HN 0.370 nan 8.270 nan 0.000 0.418 50 K N 0.654 121.009 120.400 -0.075 0.000 2.057 50 K HA -0.135 4.187 4.320 0.004 0.000 0.207 50 K C 2.009 178.692 176.600 0.137 0.000 1.049 50 K CA 1.196 57.511 56.287 0.047 0.000 0.931 50 K CB -0.029 32.479 32.500 0.014 0.000 0.714 50 K HN 0.066 nan 8.250 nan 0.000 0.440 51 K N 0.623 121.090 120.400 0.112 0.000 2.097 51 K HA -0.106 4.216 4.320 0.004 0.000 0.206 51 K C 1.914 178.700 176.600 0.310 0.000 1.049 51 K CA 1.598 57.984 56.287 0.164 0.000 0.933 51 K CB -0.034 32.532 32.500 0.109 0.000 0.717 51 K HN 0.162 nan 8.250 nan 0.000 0.442 52 V N -1.630 118.464 119.914 0.299 0.000 3.649 52 V HA 0.092 4.214 4.120 0.004 0.000 0.275 52 V C 0.192 176.465 176.094 0.299 0.000 1.281 52 V CA 0.001 62.535 62.300 0.389 0.000 1.143 52 V CB 0.139 32.132 31.823 0.283 0.000 0.892 52 V HN -0.059 nan 8.190 nan 0.000 0.441 53 T N 4.319 119.085 114.554 0.352 0.000 2.753 53 T HA 0.740 5.093 4.350 0.004 0.000 0.297 53 T C -0.775 174.099 174.700 0.291 0.000 0.981 53 T CA -0.032 62.231 62.100 0.273 0.000 0.956 53 T CB 0.397 69.532 68.868 0.444 0.000 0.936 53 T HN 0.640 nan 8.240 nan 0.000 0.463 54 F N -0.187 119.868 119.950 0.176 0.000 2.741 54 F HA 0.629 5.159 4.527 0.004 0.000 0.311 54 F C -1.202 174.649 175.800 0.085 0.000 1.149 54 F CA -1.636 56.432 58.000 0.114 0.000 0.930 54 F CB 0.659 39.717 39.000 0.097 0.000 1.312 54 F HN 0.199 nan 8.300 nan 0.000 0.450 55 D N 0.858 121.456 120.400 0.330 0.000 2.304 55 D HA 0.458 5.100 4.640 0.004 0.000 0.250 55 D C -0.872 175.599 176.300 0.284 0.000 1.107 55 D CA -0.027 54.105 54.000 0.220 0.000 0.885 55 D CB 0.924 41.825 40.800 0.168 0.000 1.192 55 D HN 0.566 nan 8.370 nan 0.000 0.436 56 R N 2.459 123.072 120.500 0.188 0.000 2.387 56 R HA 0.558 4.900 4.340 0.004 0.000 0.314 56 R C -0.928 175.384 176.300 0.020 0.000 0.958 56 R CA -0.664 55.520 56.100 0.141 0.000 0.846 56 R CB 1.022 31.382 30.300 0.101 0.000 1.147 56 R HN 0.288 nan 8.270 nan 0.000 0.447 57 L N 1.820 123.038 121.223 -0.008 0.000 2.334 57 L HA 0.531 4.873 4.340 0.004 0.000 0.276 57 L C -0.501 176.318 176.870 -0.084 0.000 1.014 57 L CA -0.277 54.511 54.840 -0.087 0.000 0.815 57 L CB 1.872 43.898 42.059 -0.054 0.000 1.268 57 L HN 0.535 nan 8.230 nan 0.000 0.428 58 Q N 1.492 121.218 119.800 -0.123 0.000 2.285 58 Q HA 0.702 5.044 4.340 0.004 0.000 0.269 58 Q C -1.948 173.988 176.000 -0.107 0.000 1.030 58 Q CA -0.454 55.288 55.803 -0.102 0.000 0.788 58 Q CB 2.420 31.086 28.738 -0.119 0.000 1.266 58 Q HN 0.442 nan 8.270 nan 0.000 0.438 59 V N 5.509 125.376 119.914 -0.079 0.000 2.407 59 V HA 0.453 4.575 4.120 0.004 0.000 0.291 59 V C -0.658 175.418 176.094 -0.031 0.000 1.018 59 V CA -0.566 61.692 62.300 -0.071 0.000 0.842 59 V CB 1.445 33.224 31.823 -0.073 0.000 0.996 59 V HN 0.707 nan 8.190 nan 0.000 0.426 60 L N 5.681 126.857 121.223 -0.077 0.000 2.305 60 L HA 0.641 4.983 4.340 0.004 0.000 0.284 60 L C -0.319 176.558 176.870 0.011 0.000 1.013 60 L CA -0.543 54.222 54.840 -0.124 0.000 0.819 60 L CB 1.747 43.569 42.059 -0.395 0.000 1.227 60 L HN 0.716 nan 8.230 nan 0.000 0.417 61 D N 0.366 120.851 120.400 0.141 0.000 2.592 61 D HA 0.154 4.797 4.640 0.004 0.000 0.259 61 D C 0.257 176.622 176.300 0.107 0.000 1.144 61 D CA -0.631 53.435 54.000 0.109 0.000 1.080 61 D CB 0.860 41.733 40.800 0.121 0.000 1.225 61 D HN 0.289 nan 8.370 nan 0.000 0.619 62 D N -1.206 119.192 120.400 -0.003 0.000 2.178 62 D HA -0.143 4.499 4.640 0.004 0.000 0.201 62 D C 1.696 177.985 176.300 -0.018 0.000 0.980 62 D CA 1.033 55.007 54.000 -0.044 0.000 0.842 62 D CB -0.058 40.667 40.800 -0.124 0.000 0.948 62 D HN 0.411 nan 8.370 nan 0.000 0.472 63 H N -0.367 118.767 119.070 0.108 0.000 2.353 63 H HA -0.146 4.412 4.556 0.004 0.000 0.300 63 H C 1.989 177.354 175.328 0.061 0.000 1.090 63 H CA 0.880 56.983 56.048 0.090 0.000 1.327 63 H CB -0.595 29.246 29.762 0.131 0.000 1.383 63 H HN 0.331 nan 8.280 nan 0.000 0.508 64 Y N 1.885 122.219 120.300 0.057 0.000 2.114 64 Y HA -0.192 4.360 4.550 0.003 0.000 0.284 64 Y C 2.668 178.513 175.900 -0.091 0.000 1.143 64 Y CA 1.538 59.547 58.100 -0.151 0.000 1.135 64 Y CB -0.053 38.216 38.460 -0.318 0.000 0.980 64 Y HN -0.067 nan 8.280 nan 0.000 0.499 65 R N 0.089 120.651 120.500 0.104 0.000 2.115 65 R HA -0.135 4.207 4.340 0.004 0.000 0.230 65 R C 1.689 177.957 176.300 -0.053 0.000 1.111 65 R CA 1.333 57.437 56.100 0.007 0.000 0.976 65 R CB -0.241 30.104 30.300 0.076 0.000 0.870 65 R HN 0.430 nan 8.270 nan 0.000 0.445 66 D N 0.062 120.450 120.400 -0.019 0.000 2.097 66 D HA -0.111 4.531 4.640 0.004 0.000 0.197 66 D C 1.960 178.236 176.300 -0.040 0.000 0.984 66 D CA 1.034 55.026 54.000 -0.012 0.000 0.826 66 D CB -0.167 40.651 40.800 0.031 0.000 0.973 66 D HN -0.020 nan 8.370 nan 0.000 0.460 67 V N 1.232 121.102 119.914 -0.073 0.000 2.343 67 V HA -0.202 3.921 4.120 0.004 0.000 0.247 67 V C 2.462 178.480 176.094 -0.127 0.000 1.051 67 V CA 0.985 63.226 62.300 -0.098 0.000 1.036 67 V CB -0.418 31.312 31.823 -0.155 0.000 0.654 67 V HN 0.134 nan 8.190 nan 0.000 0.451 68 L N 0.474 121.558 121.223 -0.233 0.000 2.046 68 L HA -0.179 4.163 4.340 0.004 0.000 0.208 68 L C 2.378 179.179 176.870 -0.115 0.000 1.077 68 L CA 2.134 56.837 54.840 -0.229 0.000 0.747 68 L CB -0.834 41.020 42.059 -0.341 0.000 0.896 68 L HN 0.255 nan 8.230 nan 0.000 0.432 69 K N -0.552 119.798 120.400 -0.084 0.000 2.097 69 K HA -0.198 4.124 4.320 0.004 0.000 0.206 69 K C 1.919 178.501 176.600 -0.031 0.000 1.049 69 K CA 1.732 57.991 56.287 -0.047 0.000 0.933 69 K CB -0.056 32.425 32.500 -0.030 0.000 0.717 69 K HN 0.511 nan 8.250 nan 0.000 0.442 70 E N 0.197 120.382 120.200 -0.024 0.000 2.077 70 E HA -0.199 4.154 4.350 0.004 0.000 0.193 70 E C 2.085 178.685 176.600 0.000 0.000 0.989 70 E CA 1.577 57.976 56.400 -0.002 0.000 0.800 70 E CB -0.083 29.626 29.700 0.015 0.000 0.746 70 E HN 0.336 nan 8.360 nan 0.000 0.452 71 M N 0.647 120.246 119.600 -0.002 0.000 2.117 71 M HA -0.180 4.303 4.480 0.004 0.000 0.262 71 M C 2.132 178.412 176.300 -0.034 0.000 1.065 71 M CA 1.514 56.809 55.300 -0.009 0.000 1.114 71 M CB -0.162 32.434 32.600 -0.007 0.000 1.361 71 M HN -0.052 nan 8.290 nan 0.000 0.408 72 K N 0.273 120.649 120.400 -0.040 0.000 2.097 72 K HA -0.065 4.257 4.320 0.004 0.000 0.205 72 K C 2.117 178.702 176.600 -0.025 0.000 1.050 72 K CA 1.296 57.561 56.287 -0.037 0.000 0.938 72 K CB -0.273 32.204 32.500 -0.039 0.000 0.718 72 K HN 0.297 nan 8.250 nan 0.000 0.442 73 A N 2.067 124.875 122.820 -0.020 0.000 1.908 73 A HA -0.219 4.104 4.320 0.004 0.000 0.218 73 A C 1.889 179.463 177.584 -0.016 0.000 1.181 73 A CA 1.608 53.636 52.037 -0.014 0.000 0.627 73 A CB -0.273 18.721 19.000 -0.009 0.000 0.818 73 A HN 0.200 nan 8.150 nan 0.000 0.445 74 K N -0.449 119.939 120.400 -0.021 0.000 2.062 74 K HA 0.045 4.367 4.320 0.004 0.000 0.205 74 K C 2.303 178.881 176.600 -0.037 0.000 1.051 74 K CA 0.916 57.185 56.287 -0.030 0.000 0.941 74 K CB -0.320 32.156 32.500 -0.040 0.000 0.719 74 K HN 0.418 nan 8.250 nan 0.000 0.440 75 A N 1.387 124.184 122.820 -0.038 0.000 1.978 75 A HA -0.166 4.156 4.320 0.004 0.000 0.220 75 A C 2.039 179.613 177.584 -0.017 0.000 1.170 75 A CA 1.845 53.863 52.037 -0.031 0.000 0.636 75 A CB -0.527 18.458 19.000 -0.024 0.000 0.810 75 A HN 0.193 nan 8.150 nan 0.000 0.448 76 S N -0.366 115.325 115.700 -0.014 0.000 2.595 76 S HA -0.068 4.404 4.470 0.004 0.000 0.235 76 S C 1.757 176.352 174.600 -0.007 0.000 0.974 76 S CA 1.380 59.576 58.200 -0.007 0.000 0.942 76 S CB -0.497 62.700 63.200 -0.006 0.000 0.766 76 S HN 0.908 nan 8.310 nan 0.000 0.536 77 T N -1.319 113.227 114.554 -0.014 0.000 3.081 77 T HA 0.214 4.566 4.350 0.004 0.000 0.250 77 T C 0.495 175.186 174.700 -0.016 0.000 1.100 77 T CA -0.140 61.952 62.100 -0.014 0.000 1.038 77 T CB -0.200 68.657 68.868 -0.017 0.000 0.962 77 T HN 0.036 nan 8.240 nan 0.000 0.516 78 V N 2.144 122.047 119.914 -0.018 0.000 2.530 78 V HA 0.377 4.499 4.120 0.004 0.000 0.282 78 V C 0.133 176.221 176.094 -0.009 0.000 1.048 78 V CA -0.740 61.547 62.300 -0.021 0.000 0.997 78 V CB 1.204 33.009 31.823 -0.030 0.000 0.987 78 V HN 0.384 nan 8.190 nan 0.000 0.477 79 K N 3.723 124.117 120.400 -0.010 0.000 2.274 79 K HA 0.767 5.089 4.320 0.004 0.000 0.262 79 K C -0.670 175.928 176.600 -0.004 0.000 0.961 79 K CA -0.434 55.852 56.287 -0.001 0.000 0.833 79 K CB 1.526 34.026 32.500 0.001 0.000 1.102 79 K HN 0.816 nan 8.250 nan 0.000 0.436 80 A N 3.982 126.805 122.820 0.004 0.000 2.386 80 A HA 0.480 4.802 4.320 0.004 0.000 0.311 80 A C -1.245 176.350 177.584 0.019 0.000 1.068 80 A CA -0.938 51.102 52.037 0.004 0.000 0.743 80 A CB 0.998 19.996 19.000 -0.004 0.000 1.258 80 A HN 0.842 nan 8.150 nan 0.000 0.429 81 K N 1.479 121.892 120.400 0.022 0.000 2.118 81 K HA 0.705 5.027 4.320 0.004 0.000 0.254 81 K C -1.082 175.541 176.600 0.038 0.000 0.961 81 K CA -0.743 55.561 56.287 0.028 0.000 0.876 81 K CB 1.179 33.692 32.500 0.022 0.000 1.077 81 K HN 0.362 nan 8.250 nan 0.000 0.440 82 L N 2.719 123.961 121.223 0.032 0.000 2.380 82 L HA 0.211 4.554 4.340 0.004 0.000 0.273 82 L C -0.692 176.162 176.870 -0.026 0.000 1.138 82 L CA -0.453 54.397 54.840 0.016 0.000 0.832 82 L CB 0.595 42.664 42.059 0.016 0.000 1.124 82 L HN 0.623 nan 8.230 nan 0.000 0.454 83 L N 3.183 124.375 121.223 -0.052 0.000 2.395 83 L HA 0.356 4.698 4.340 0.004 0.000 0.269 83 L C 0.628 177.396 176.870 -0.169 0.000 1.133 83 L CA 0.299 55.088 54.840 -0.084 0.000 0.812 83 L CB 1.183 43.195 42.059 -0.078 0.000 1.125 83 L HN 0.842 nan 8.230 nan 0.000 0.452 84 S N 1.497 117.109 115.700 -0.147 0.000 2.589 84 S HA 0.170 4.642 4.470 0.004 0.000 0.265 84 S C 1.339 175.803 174.600 -0.226 0.000 1.342 84 S CA -0.661 57.434 58.200 -0.176 0.000 1.005 84 S CB 0.709 63.840 63.200 -0.115 0.000 0.909 84 S HN 0.339 nan 8.310 nan 0.000 0.555 85 V N 1.674 121.430 119.914 -0.264 0.000 2.332 85 V HA -0.177 3.945 4.120 0.004 0.000 0.248 85 V C 2.605 178.569 176.094 -0.217 0.000 1.055 85 V CA 2.417 64.533 62.300 -0.306 0.000 1.038 85 V CB -1.340 30.228 31.823 -0.425 0.000 0.651 85 V HN 0.863 nan 8.190 nan 0.000 0.450 86 E N 0.040 120.142 120.200 -0.162 0.000 2.072 86 E HA -0.180 4.172 4.350 0.004 0.000 0.191 86 E C 2.200 178.725 176.600 -0.125 0.000 0.985 86 E CA 1.204 57.529 56.400 -0.126 0.000 0.801 86 E CB -0.267 29.380 29.700 -0.089 0.000 0.750 86 E HN 0.668 nan 8.360 nan 0.000 0.452 87 E N 0.249 120.372 120.200 -0.128 0.000 2.077 87 E HA -0.191 4.162 4.350 0.004 0.000 0.193 87 E C 2.014 178.505 176.600 -0.182 0.000 0.989 87 E CA 1.093 57.412 56.400 -0.135 0.000 0.800 87 E CB -0.165 29.465 29.700 -0.116 0.000 0.746 87 E HN 0.286 nan 8.360 nan 0.000 0.452 88 A N 0.549 123.253 122.820 -0.193 0.000 1.898 88 A HA -0.176 4.147 4.320 0.004 0.000 0.216 88 A C 2.393 179.866 177.584 -0.185 0.000 1.181 88 A CA 1.068 52.978 52.037 -0.211 0.000 0.620 88 A CB -0.785 18.102 19.000 -0.188 0.000 0.819 88 A HN 0.367 nan 8.150 nan 0.000 0.442 89 C N -0.184 119.020 119.300 -0.159 0.000 2.413 89 C HA -0.065 4.397 4.460 0.004 0.000 0.276 89 C C 2.511 177.423 174.990 -0.131 0.000 1.248 89 C CA 1.201 60.139 59.018 -0.133 0.000 1.742 89 C CB -0.740 26.924 27.740 -0.126 0.000 2.017 89 C HN 0.469 nan 8.230 nan 0.000 0.481 90 K N 0.773 121.096 120.400 -0.129 0.000 2.439 90 K HA 0.101 4.423 4.320 0.004 0.000 0.197 90 K C 1.381 177.914 176.600 -0.113 0.000 1.041 90 K CA 0.736 56.962 56.287 -0.102 0.000 0.970 90 K CB -0.330 32.123 32.500 -0.078 0.000 0.773 90 K HN 0.549 nan 8.250 nan 0.000 0.479 91 L N 0.816 121.926 121.223 -0.189 0.000 2.591 91 L HA 0.022 4.364 4.340 0.004 0.000 0.228 91 L C 0.365 177.124 176.870 -0.185 0.000 1.133 91 L CA 0.182 54.876 54.840 -0.243 0.000 0.880 91 L CB -0.084 41.712 42.059 -0.438 0.000 1.033 91 L HN -0.126 nan 8.230 nan 0.000 0.450 92 T N 1.764 116.219 114.554 -0.164 0.000 2.794 92 T HA 0.227 4.580 4.350 0.004 0.000 0.296 92 T C -2.335 172.201 174.700 -0.273 0.000 0.949 92 T CA -1.188 60.807 62.100 -0.174 0.000 1.101 92 T CB 1.002 69.784 68.868 -0.142 0.000 0.905 92 T HN -0.147 nan 8.240 nan 0.000 0.516 93 P HA 0.152 nan 4.420 nan 0.000 0.268 93 P C -1.938 175.034 177.300 -0.547 0.000 1.204 93 P CA -1.457 61.334 63.100 -0.516 0.000 0.768 93 P CB 0.149 31.693 31.700 -0.260 0.000 0.842 94 P HA -0.139 nan 4.420 nan 0.000 0.219 94 P C 0.294 177.218 177.300 -0.628 0.000 1.146 94 P CA 1.665 64.361 63.100 -0.673 0.000 0.808 94 P CB -0.188 31.039 31.700 -0.787 0.000 0.779 95 H N -2.256 116.676 119.070 -0.231 0.000 2.488 95 H HA 0.290 4.847 4.556 0.003 0.000 0.294 95 H C 0.474 175.715 175.328 -0.144 0.000 1.088 95 H CA -0.370 55.587 56.048 -0.151 0.000 1.086 95 H CB -0.014 29.676 29.762 -0.120 0.000 1.569 95 H HN -0.030 nan 8.280 nan 0.000 0.548 96 S N 1.252 116.888 115.700 -0.107 0.000 2.568 96 S HA 0.328 4.800 4.470 0.004 0.000 0.282 96 S C 0.737 175.285 174.600 -0.088 0.000 1.338 96 S CA -0.531 57.600 58.200 -0.115 0.000 1.045 96 S CB 0.218 63.341 63.200 -0.128 0.000 0.873 96 S HN 0.536 nan 8.310 nan 0.000 0.516 97 A N 4.574 127.323 122.820 -0.119 0.000 2.548 97 A HA 0.214 4.536 4.320 0.004 0.000 0.247 97 A C 0.578 178.147 177.584 -0.025 0.000 1.067 97 A CA -0.092 51.906 52.037 -0.065 0.000 0.757 97 A CB -0.263 18.688 19.000 -0.082 0.000 0.996 97 A HN 0.857 nan 8.150 nan 0.000 0.504 98 K N 2.366 122.748 120.400 -0.030 0.000 2.336 98 K HA 0.269 4.591 4.320 0.004 0.000 0.262 98 K C 0.358 176.883 176.600 -0.123 0.000 0.992 98 K CA 0.121 56.361 56.287 -0.078 0.000 0.927 98 K CB 0.364 32.818 32.500 -0.077 0.000 0.956 98 K HN 0.440 nan 8.250 nan 0.000 0.495 99 S N 0.456 115.975 115.700 -0.303 0.000 2.585 99 S HA 0.051 4.523 4.470 0.004 0.000 0.273 99 S C 0.585 174.990 174.600 -0.326 0.000 1.339 99 S CA -0.539 57.435 58.200 -0.377 0.000 1.028 99 S CB 0.598 63.203 63.200 -0.991 0.000 0.906 99 S HN 0.677 nan 8.310 nan 0.000 0.528 100 K N 2.372 122.583 120.400 -0.316 0.000 2.439 100 K HA 0.017 4.339 4.320 0.004 0.000 0.197 100 K C 0.009 176.205 176.600 -0.674 0.000 1.041 100 K CA 0.985 56.971 56.287 -0.501 0.000 0.970 100 K CB -0.090 32.018 32.500 -0.655 0.000 0.773 100 K HN 0.600 nan 8.250 nan 0.000 0.479 101 F N 0.190 119.951 119.950 -0.315 0.000 2.750 101 F HA 0.255 4.789 4.527 0.012 0.000 0.297 101 F C 1.019 176.710 175.800 -0.181 0.000 1.138 101 F CA -0.338 57.495 58.000 -0.277 0.000 1.346 101 F CB 0.891 39.599 39.000 -0.487 0.000 0.965 101 F HN 0.068 nan 8.300 nan 0.000 0.514 102 G N 0.450 109.188 108.800 -0.103 0.000 2.140 102 G HA2 -0.261 3.702 3.960 0.004 0.000 0.211 102 G HA3 -0.261 3.702 3.960 0.004 0.000 0.211 102 G C -0.407 174.563 174.900 0.117 0.000 1.013 102 G CA 0.025 45.130 45.100 0.008 0.000 0.705 102 G HN 0.527 nan 8.290 nan 0.000 0.508 103 Y N -2.496 117.800 120.300 -0.007 0.000 2.638 103 Y HA 0.804 5.359 4.550 0.008 0.000 0.335 103 Y C 0.414 176.313 175.900 -0.002 0.000 1.155 103 Y CA -1.093 57.005 58.100 -0.003 0.000 1.046 103 Y CB 0.621 39.084 38.460 0.005 0.000 1.303 103 Y HN 0.644 nan 8.280 nan 0.000 0.460 104 G N -0.219 108.666 108.800 0.141 0.000 3.108 104 G HA2 0.541 4.503 3.960 0.004 0.000 0.268 104 G HA3 0.541 4.503 3.960 0.004 0.000 0.268 104 G C 0.146 175.102 174.900 0.094 0.000 1.361 104 G CA -0.766 44.359 45.100 0.042 0.000 1.047 104 G HN 1.155 nan 8.290 nan 0.000 0.540 105 A N -0.563 122.257 122.820 -0.000 0.000 1.930 105 A HA 0.052 4.374 4.320 0.004 0.000 0.217 105 A C 2.135 179.669 177.584 -0.082 0.000 1.175 105 A CA 1.724 53.733 52.037 -0.047 0.000 0.627 105 A CB -0.326 18.601 19.000 -0.122 0.000 0.815 105 A HN 0.554 nan 8.150 nan 0.000 0.443 106 K N -0.233 120.113 120.400 -0.091 0.000 2.155 106 K HA -0.099 4.223 4.320 0.004 0.000 0.203 106 K C 1.285 177.853 176.600 -0.052 0.000 1.052 106 K CA 1.179 57.404 56.287 -0.103 0.000 0.948 106 K CB -0.158 32.277 32.500 -0.109 0.000 0.728 106 K HN 0.432 nan 8.250 nan 0.000 0.448 107 D N 0.688 121.087 120.400 -0.001 0.000 2.123 107 D HA -0.146 4.496 4.640 0.004 0.000 0.196 107 D C 2.008 178.295 176.300 -0.022 0.000 0.992 107 D CA 1.068 55.075 54.000 0.012 0.000 0.833 107 D CB -0.217 40.637 40.800 0.089 0.000 0.954 107 D HN -0.061 nan 8.370 nan 0.000 0.455 108 V N 1.412 121.329 119.914 0.006 0.000 2.261 108 V HA -0.243 3.880 4.120 0.004 0.000 0.246 108 V C 2.542 178.591 176.094 -0.076 0.000 1.047 108 V CA 1.622 63.899 62.300 -0.037 0.000 1.015 108 V CB -0.393 31.439 31.823 0.016 0.000 0.642 108 V HN 0.140 nan 8.190 nan 0.000 0.446 109 R N 0.436 120.883 120.500 -0.088 0.000 2.120 109 R HA -0.117 4.226 4.340 0.004 0.000 0.234 109 R C 1.646 177.898 176.300 -0.079 0.000 1.123 109 R CA 1.449 57.488 56.100 -0.103 0.000 0.975 109 R CB -0.360 29.854 30.300 -0.143 0.000 0.866 109 R HN 0.531 nan 8.270 nan 0.000 0.446 110 N N 0.706 119.365 118.700 -0.069 0.000 2.383 110 N HA 0.081 4.823 4.740 0.004 0.000 0.192 110 N C 0.147 175.624 175.510 -0.056 0.000 1.141 110 N CA 0.206 53.223 53.050 -0.055 0.000 0.851 110 N CB 0.219 38.679 38.487 -0.046 0.000 0.976 110 N HN 0.125 nan 8.380 nan 0.000 0.465 111 L N 0.445 121.626 121.223 -0.070 0.000 3.634 111 L HA -0.222 4.120 4.340 0.004 0.000 0.423 111 L C 0.143 176.970 176.870 -0.072 0.000 1.253 111 L CA 0.024 54.818 54.840 -0.077 0.000 0.885 111 L CB -2.575 39.445 42.059 -0.066 0.000 1.789 111 L HN 0.185 nan 8.230 nan 0.000 0.904 112 S N -0.753 114.901 115.700 -0.076 0.000 2.560 112 S HA 0.253 4.725 4.470 0.004 0.000 0.284 112 S C 1.546 176.097 174.600 -0.082 0.000 1.327 112 S CA -0.018 58.143 58.200 -0.066 0.000 1.055 112 S CB 1.728 64.896 63.200 -0.053 0.000 0.868 112 S HN 0.519 nan 8.310 nan 0.000 0.506 113 S N 3.530 119.198 115.700 -0.053 0.000 2.374 113 S HA -0.270 4.202 4.470 0.004 0.000 0.227 113 S C 1.730 176.295 174.600 -0.059 0.000 1.037 113 S CA 1.394 59.569 58.200 -0.042 0.000 1.024 113 S CB -0.705 62.483 63.200 -0.021 0.000 0.861 113 S HN 0.903 nan 8.310 nan 0.000 0.456 114 K N 1.862 122.221 120.400 -0.069 0.000 2.026 114 K HA -0.015 4.307 4.320 0.004 0.000 0.208 114 K C 2.374 178.832 176.600 -0.236 0.000 1.048 114 K CA 1.201 57.441 56.287 -0.077 0.000 0.929 114 K CB -0.717 31.770 32.500 -0.021 0.000 0.713 114 K HN 0.418 nan 8.250 nan 0.000 0.439 115 A N 0.753 123.319 122.820 -0.424 0.000 1.877 115 A HA -0.112 4.210 4.320 0.004 0.000 0.216 115 A C 2.276 179.569 177.584 -0.485 0.000 1.186 115 A CA 1.786 53.282 52.037 -0.902 0.000 0.620 115 A CB -0.753 17.845 19.000 -0.672 0.000 0.822 115 A HN 0.191 nan 8.150 nan 0.000 0.443 116 V N 1.027 120.781 119.914 -0.267 0.000 2.358 116 V HA -0.246 3.876 4.120 0.004 0.000 0.246 116 V C 2.264 178.306 176.094 -0.085 0.000 1.047 116 V CA 2.077 64.260 62.300 -0.196 0.000 1.035 116 V CB -1.041 30.711 31.823 -0.118 0.000 0.658 116 V HN 0.547 nan 8.190 nan 0.000 0.452 117 N N -0.059 118.636 118.700 -0.008 0.000 2.120 117 N HA -0.203 4.540 4.740 0.004 0.000 0.188 117 N C 1.839 177.383 175.510 0.057 0.000 1.024 117 N CA 1.904 55.000 53.050 0.076 0.000 0.852 117 N CB -0.550 37.963 38.487 0.044 0.000 1.003 117 N HN 0.716 nan 8.380 nan 0.000 0.424 118 H N 0.579 119.592 119.070 -0.095 0.000 2.357 118 H HA 0.143 4.702 4.556 0.006 0.000 0.301 118 H C 2.028 177.328 175.328 -0.046 0.000 1.082 118 H CA 1.225 57.237 56.048 -0.060 0.000 1.342 118 H CB -0.285 29.480 29.762 0.005 0.000 1.389 118 H HN 0.114 nan 8.280 nan 0.000 0.511 119 I N -0.273 120.193 120.570 -0.174 0.000 2.208 119 I HA -0.312 3.860 4.170 0.004 0.000 0.245 119 I C 2.089 178.106 176.117 -0.167 0.000 1.097 119 I CA 1.696 62.874 61.300 -0.204 0.000 1.363 119 I CB -0.392 37.481 38.000 -0.211 0.000 1.051 119 I HN 0.421 nan 8.210 nan 0.000 0.413 120 H N -0.155 118.865 119.070 -0.084 0.000 2.387 120 H HA -0.166 4.393 4.556 0.004 0.000 0.299 120 H C 2.538 177.866 175.328 0.001 0.000 1.099 120 H CA 1.785 57.819 56.048 -0.024 0.000 1.315 120 H CB 0.008 29.747 29.762 -0.038 0.000 1.380 120 H HN 0.390 nan 8.280 nan 0.000 0.513 121 S N -0.043 115.675 115.700 0.031 0.000 2.387 121 S HA -0.114 4.358 4.470 0.004 0.000 0.226 121 S C 2.259 176.795 174.600 -0.106 0.000 1.026 121 S CA 1.056 59.230 58.200 -0.042 0.000 0.972 121 S CB -0.642 62.510 63.200 -0.080 0.000 0.814 121 S HN 0.154 nan 8.310 nan 0.000 0.477 122 V N 0.987 120.769 119.914 -0.220 0.000 2.343 122 V HA -0.147 3.975 4.120 0.004 0.000 0.247 122 V C 2.239 178.331 176.094 -0.003 0.000 1.051 122 V CA 1.897 64.093 62.300 -0.174 0.000 1.036 122 V CB -1.122 30.567 31.823 -0.223 0.000 0.654 122 V HN 0.706 nan 8.190 nan 0.000 0.451 123 W N 1.297 122.527 121.300 -0.115 0.000 2.335 123 W HA -0.237 4.424 4.660 0.002 0.000 0.311 123 W C 2.576 179.069 176.519 -0.044 0.000 1.213 123 W CA 2.344 59.652 57.345 -0.062 0.000 1.274 123 W CB -0.161 29.280 29.460 -0.032 0.000 1.148 123 W HN 0.213 nan 8.180 nan 0.000 0.498 124 K N 0.689 121.139 120.400 0.083 0.000 2.063 124 K HA -0.276 4.046 4.320 0.004 0.000 0.208 124 K C 1.655 178.189 176.600 -0.109 0.000 1.048 124 K CA 2.302 58.574 56.287 -0.024 0.000 0.928 124 K CB -0.664 31.857 32.500 0.034 0.000 0.713 124 K HN 0.065 nan 8.250 nan 0.000 0.442 125 D N 0.346 120.688 120.400 -0.096 0.000 2.144 125 D HA -0.135 4.507 4.640 0.004 0.000 0.199 125 D C 2.073 178.283 176.300 -0.150 0.000 0.984 125 D CA 0.960 54.897 54.000 -0.105 0.000 0.834 125 D CB 0.059 40.804 40.800 -0.091 0.000 0.955 125 D HN 0.212 nan 8.370 nan 0.000 0.465 126 L N -0.113 120.981 121.223 -0.215 0.000 2.083 126 L HA -0.135 4.207 4.340 0.004 0.000 0.209 126 L C 2.446 179.129 176.870 -0.311 0.000 1.083 126 L CA 0.660 55.334 54.840 -0.277 0.000 0.752 126 L CB -0.357 41.473 42.059 -0.381 0.000 0.899 126 L HN 0.213 nan 8.230 nan 0.000 0.433 127 L N -0.860 120.137 121.223 -0.377 0.000 2.141 127 L HA -0.133 4.209 4.340 0.004 0.000 0.209 127 L C 2.445 179.212 176.870 -0.173 0.000 1.094 127 L CA 0.970 55.628 54.840 -0.303 0.000 0.763 127 L CB -0.394 41.478 42.059 -0.312 0.000 0.908 127 L HN 0.296 nan 8.230 nan 0.000 0.437 128 E N -0.903 119.213 120.200 -0.141 0.000 2.340 128 E HA -0.011 4.341 4.350 0.004 0.000 0.194 128 E C 0.087 176.640 176.600 -0.078 0.000 0.996 128 E CA 0.323 56.669 56.400 -0.090 0.000 0.869 128 E CB 0.327 29.985 29.700 -0.070 0.000 0.835 128 E HN 0.248 nan 8.360 nan 0.000 0.493 129 D N 0.597 120.942 120.400 -0.090 0.000 2.549 129 D HA 0.074 4.716 4.640 0.004 0.000 0.251 129 D C -0.042 176.210 176.300 -0.081 0.000 1.153 129 D CA -0.305 53.652 54.000 -0.071 0.000 0.861 129 D CB 1.418 42.181 40.800 -0.061 0.000 1.207 129 D HN -0.090 nan 8.370 nan 0.000 0.543 130 T N 0.451 114.965 114.554 -0.065 0.000 3.182 130 T HA 0.222 4.575 4.350 0.004 0.000 0.277 130 T C 1.106 175.779 174.700 -0.046 0.000 1.013 130 T CA 0.355 62.417 62.100 -0.064 0.000 0.900 130 T CB -0.264 68.568 68.868 -0.059 0.000 1.098 130 T HN 0.201 nan 8.240 nan 0.000 0.543 131 V N -3.065 116.826 119.914 -0.038 0.000 3.431 131 V HA 0.387 4.510 4.120 0.004 0.000 0.255 131 V C 0.598 176.684 176.094 -0.013 0.000 1.403 131 V CA -0.064 62.222 62.300 -0.023 0.000 1.101 131 V CB -0.246 31.566 31.823 -0.019 0.000 0.891 131 V HN 0.302 nan 8.190 nan 0.000 0.446 132 T N 4.602 119.146 114.554 -0.017 0.000 2.752 132 T HA 0.373 4.725 4.350 0.004 0.000 0.295 132 T C -2.547 172.155 174.700 0.003 0.000 0.923 132 T CA -0.535 61.563 62.100 -0.003 0.000 1.112 132 T CB 0.782 69.648 68.868 -0.004 0.000 0.884 132 T HN 0.321 nan 8.240 nan 0.000 0.525 133 P HA 0.095 nan 4.420 nan 0.000 0.264 133 P C -0.229 177.078 177.300 0.012 0.000 1.183 133 P CA 0.040 63.161 63.100 0.034 0.000 0.763 133 P CB 0.280 32.045 31.700 0.109 0.000 0.807 134 I N 2.562 123.122 120.570 -0.016 0.000 2.428 134 I HA 0.134 4.306 4.170 0.004 0.000 0.289 134 I C 0.976 177.084 176.117 -0.015 0.000 1.019 134 I CA -0.379 60.915 61.300 -0.011 0.000 1.351 134 I CB 0.663 38.645 38.000 -0.029 0.000 1.412 134 I HN 0.302 nan 8.210 nan 0.000 0.513 135 D N 4.368 124.775 120.400 0.011 0.000 2.399 135 D HA 0.211 4.854 4.640 0.004 0.000 0.241 135 D C -0.337 175.938 176.300 -0.040 0.000 1.133 135 D CA 0.227 54.221 54.000 -0.010 0.000 0.890 135 D CB 0.843 41.651 40.800 0.014 0.000 1.201 135 D HN 0.617 nan 8.370 nan 0.000 0.432 136 T N -0.765 113.735 114.554 -0.089 0.000 2.906 136 T HA 0.590 4.942 4.350 0.004 0.000 0.295 136 T C -0.330 174.226 174.700 -0.240 0.000 1.061 136 T CA -0.957 61.050 62.100 -0.156 0.000 1.000 136 T CB 1.484 70.280 68.868 -0.120 0.000 1.103 136 T HN 0.201 nan 8.240 nan 0.000 0.486 137 T N 2.342 116.599 114.554 -0.496 0.000 2.837 137 T HA 0.574 4.927 4.350 0.004 0.000 0.285 137 T C -0.349 174.060 174.700 -0.486 0.000 0.984 137 T CA -0.587 61.175 62.100 -0.563 0.000 1.049 137 T CB 0.639 68.975 68.868 -0.886 0.000 0.947 137 T HN 0.707 nan 8.240 nan 0.000 0.472 138 I N 4.188 124.650 120.570 -0.181 0.000 2.378 138 I HA 0.521 4.693 4.170 0.004 0.000 0.291 138 I C -0.995 175.145 176.117 0.038 0.000 0.992 138 I CA -0.770 60.520 61.300 -0.016 0.000 1.154 138 I CB 0.682 38.727 38.000 0.075 0.000 1.315 138 I HN 0.408 nan 8.210 nan 0.000 0.448 139 M N 6.203 125.879 119.600 0.125 0.000 2.550 139 M HA 0.500 4.982 4.480 0.004 0.000 0.292 139 M C -0.595 175.772 176.300 0.112 0.000 1.221 139 M CA -0.605 54.777 55.300 0.137 0.000 0.873 139 M CB 1.879 34.617 32.600 0.231 0.000 1.727 139 M HN 0.587 nan 8.290 nan 0.000 0.459 140 A N 2.164 125.029 122.820 0.076 0.000 2.328 140 A HA 0.476 4.798 4.320 0.004 0.000 0.284 140 A C -0.070 177.554 177.584 0.066 0.000 1.160 140 A CA -0.450 51.625 52.037 0.062 0.000 0.818 140 A CB 0.226 19.250 19.000 0.039 0.000 1.087 140 A HN 0.748 nan 8.150 nan 0.000 0.504 141 K N 1.975 122.416 120.400 0.068 0.000 2.326 141 K HA 0.099 4.421 4.320 0.004 0.000 0.275 141 K C -0.651 175.960 176.600 0.018 0.000 1.018 141 K CA 0.169 56.483 56.287 0.045 0.000 0.962 141 K CB 0.510 33.043 32.500 0.056 0.000 0.953 141 K HN 0.753 nan 8.250 nan 0.000 0.475 142 N N 2.763 121.444 118.700 -0.032 0.000 2.527 142 N HA 0.102 4.844 4.740 0.004 0.000 0.236 142 N C -1.247 174.140 175.510 -0.204 0.000 0.999 142 N CA -0.320 52.673 53.050 -0.095 0.000 0.935 142 N CB 0.953 39.384 38.487 -0.094 0.000 1.132 142 N HN 0.394 nan 8.380 nan 0.000 0.511 143 E N 0.892 120.949 120.200 -0.239 0.000 2.288 143 E HA 0.432 4.784 4.350 0.004 0.000 0.268 143 E C -0.881 175.275 176.600 -0.741 0.000 0.885 143 E CA -0.977 55.150 56.400 -0.456 0.000 0.767 143 E CB 2.575 32.047 29.700 -0.380 0.000 1.220 143 E HN 0.082 nan 8.360 nan 0.000 0.427 144 V N 3.223 122.577 119.914 -0.932 0.000 2.439 144 V HA 0.458 4.580 4.120 0.004 0.000 0.282 144 V C -0.802 174.645 176.094 -1.079 0.000 1.039 144 V CA -0.224 61.546 62.300 -0.883 0.000 0.913 144 V CB 0.175 31.617 31.823 -0.635 0.000 0.983 144 V HN 0.503 nan 8.190 nan 0.000 0.460 145 F N 2.227 121.833 119.950 -0.573 0.000 2.650 145 F HA 0.578 5.106 4.527 0.003 0.000 0.320 145 F C 0.116 175.743 175.800 -0.289 0.000 1.091 145 F CA -0.761 56.981 58.000 -0.430 0.000 0.962 145 F CB 1.289 40.020 39.000 -0.447 0.000 1.363 145 F HN 0.498 nan 8.300 nan 0.000 0.482 146 C N 2.820 122.228 119.300 0.179 0.000 2.365 146 C HA 0.766 5.229 4.460 0.004 0.000 0.351 146 C C 0.198 175.400 174.990 0.353 0.000 1.240 146 C CA -0.702 58.454 59.018 0.231 0.000 2.062 146 C CB -0.147 27.683 27.740 0.149 0.000 2.387 146 C HN 0.704 nan 8.230 nan 0.000 0.537 147 V N 4.808 124.949 119.914 0.379 0.000 3.032 147 V HA 0.364 4.486 4.120 0.004 0.000 0.307 147 V C 0.017 176.199 176.094 0.146 0.000 1.097 147 V CA 0.216 62.677 62.300 0.268 0.000 1.191 147 V CB -0.032 31.873 31.823 0.138 0.000 0.964 147 V HN 1.293 nan 8.190 nan 0.000 0.494 155 K N 3.081 123.504 120.400 0.038 0.000 2.326 155 K HA 0.235 4.557 4.320 0.004 0.000 0.275 155 K C -2.024 174.606 176.600 0.050 0.000 1.018 155 K CA -1.380 54.892 56.287 -0.025 0.000 0.962 155 K CB 0.366 32.722 32.500 -0.240 0.000 0.953 155 K HN 0.250 nan 8.250 nan 0.000 0.475 156 P HA 0.022 nan 4.420 nan 0.000 0.274 156 P C -0.862 176.483 177.300 0.074 0.000 1.237 156 P CA -0.459 62.666 63.100 0.042 0.000 0.793 156 P CB 0.579 32.285 31.700 0.011 0.000 0.977 157 A N 2.799 125.669 122.820 0.083 0.000 2.498 157 A HA 0.103 4.425 4.320 0.004 0.000 0.239 157 A C 0.662 178.298 177.584 0.086 0.000 1.068 157 A CA -0.066 52.031 52.037 0.101 0.000 0.766 157 A CB -0.307 18.737 19.000 0.074 0.000 1.003 157 A HN 0.437 nan 8.150 nan 0.000 0.497 158 R N 0.559 121.128 120.500 0.114 0.000 2.582 158 R HA 0.379 4.721 4.340 0.004 0.000 0.271 158 R C -0.875 175.486 176.300 0.101 0.000 1.078 158 R CA -0.690 55.477 56.100 0.112 0.000 1.127 158 R CB 0.322 30.705 30.300 0.138 0.000 1.038 158 R HN 0.480 nan 8.270 nan 0.000 0.500 159 L N 2.266 123.554 121.223 0.109 0.000 2.334 159 L HA 0.463 4.805 4.340 0.004 0.000 0.275 159 L C -0.217 176.746 176.870 0.155 0.000 1.036 159 L CA -0.677 54.232 54.840 0.116 0.000 0.807 159 L CB 1.094 43.212 42.059 0.099 0.000 1.231 159 L HN 0.486 nan 8.230 nan 0.000 0.438 160 I N 2.024 122.704 120.570 0.182 0.000 2.465 160 I HA 0.611 4.783 4.170 0.004 0.000 0.291 160 I C -1.032 175.268 176.117 0.305 0.000 1.014 160 I CA -0.370 61.075 61.300 0.242 0.000 1.093 160 I CB 1.915 40.052 38.000 0.228 0.000 1.267 160 I HN 0.192 nan 8.210 nan 0.000 0.431 161 V N 8.711 128.804 119.914 0.299 0.000 2.483 161 V HA 0.603 4.725 4.120 0.004 0.000 0.297 161 V C -0.935 175.321 176.094 0.270 0.000 1.027 161 V CA -0.483 61.935 62.300 0.197 0.000 0.855 161 V CB 1.188 33.107 31.823 0.160 0.000 0.995 161 V HN 0.585 nan 8.190 nan 0.000 0.424 162 F N 5.037 125.034 119.950 0.077 0.000 2.619 162 F HA 0.929 5.455 4.527 -0.001 0.000 0.308 162 F C -3.058 172.782 175.800 0.067 0.000 1.097 162 F CA -2.553 55.493 58.000 0.076 0.000 0.953 162 F CB 1.713 40.753 39.000 0.066 0.000 1.287 162 F HN 0.303 nan 8.300 nan 0.000 0.446 163 P HA 0.178 nan 4.420 nan 0.000 0.282 163 P C -1.009 176.422 177.300 0.218 0.000 1.287 163 P CA -0.137 63.039 63.100 0.127 0.000 0.792 163 P CB 1.079 32.854 31.700 0.125 0.000 1.163 164 D N -1.015 119.493 120.400 0.180 0.000 2.400 164 D HA -0.037 4.605 4.640 0.004 0.000 0.238 164 D C 1.362 177.796 176.300 0.223 0.000 1.157 164 D CA -0.298 53.833 54.000 0.219 0.000 0.889 164 D CB 0.260 41.236 40.800 0.294 0.000 1.199 164 D HN 0.097 nan 8.370 nan 0.000 0.436 165 L N 3.491 124.825 121.223 0.186 0.000 2.021 165 L HA -0.062 4.280 4.340 0.004 0.000 0.215 165 L C 2.063 179.071 176.870 0.230 0.000 1.074 165 L CA 2.670 57.607 54.840 0.163 0.000 0.760 165 L CB -1.183 40.929 42.059 0.089 0.000 0.889 165 L HN 0.672 nan 8.230 nan 0.000 0.433 166 G N -1.179 107.827 108.800 0.342 0.000 2.476 166 G HA2 -0.243 3.720 3.960 0.004 0.000 0.218 166 G HA3 -0.243 3.720 3.960 0.004 0.000 0.218 166 G C 1.542 176.546 174.900 0.174 0.000 1.164 166 G CA 1.259 46.571 45.100 0.354 0.000 0.768 166 G HN 0.381 nan 8.290 nan 0.000 0.560 167 V N 0.744 120.757 119.914 0.166 0.000 2.358 167 V HA -0.163 3.960 4.120 0.004 0.000 0.246 167 V C 2.922 179.093 176.094 0.128 0.000 1.047 167 V CA 1.947 64.320 62.300 0.120 0.000 1.035 167 V CB -0.472 31.415 31.823 0.107 0.000 0.658 167 V HN 0.338 nan 8.190 nan 0.000 0.452 168 R N -0.267 120.316 120.500 0.139 0.000 2.096 168 R HA -0.118 4.225 4.340 0.004 0.000 0.235 168 R C 2.229 178.580 176.300 0.085 0.000 1.127 168 R CA 1.425 57.598 56.100 0.121 0.000 0.968 168 R CB -0.614 29.752 30.300 0.110 0.000 0.861 168 R HN 0.428 nan 8.270 nan 0.000 0.440 169 V N 0.460 120.417 119.914 0.071 0.000 2.358 169 V HA -0.281 3.841 4.120 0.004 0.000 0.246 169 V C 2.499 178.607 176.094 0.024 0.000 1.047 169 V CA 1.521 63.830 62.300 0.014 0.000 1.035 169 V CB -0.454 31.364 31.823 -0.009 0.000 0.658 169 V HN 0.444 nan 8.190 nan 0.000 0.452 170 C N -0.060 119.297 119.300 0.095 0.000 2.425 170 C HA -0.143 4.319 4.460 0.004 0.000 0.277 170 C C 2.659 177.801 174.990 0.254 0.000 1.280 170 C CA 0.875 60.026 59.018 0.221 0.000 1.744 170 C CB -1.014 26.920 27.740 0.324 0.000 1.989 170 C HN 0.622 nan 8.230 nan 0.000 0.491 171 E N 0.867 121.179 120.200 0.186 0.000 2.085 171 E HA -0.236 4.116 4.350 0.004 0.000 0.194 171 E C 2.138 178.842 176.600 0.173 0.000 0.994 171 E CA 1.259 57.780 56.400 0.202 0.000 0.801 171 E CB -0.147 29.683 29.700 0.216 0.000 0.743 171 E HN 0.642 nan 8.360 nan 0.000 0.453 172 K N 0.380 120.846 120.400 0.109 0.000 2.026 172 K HA -0.116 4.207 4.320 0.004 0.000 0.208 172 K C 2.221 178.862 176.600 0.069 0.000 1.048 172 K CA 1.431 57.764 56.287 0.077 0.000 0.929 172 K CB -0.139 32.326 32.500 -0.058 0.000 0.713 172 K HN 0.092 nan 8.250 nan 0.000 0.439 173 M N 0.400 119.998 119.600 -0.003 0.000 2.082 173 M HA -0.240 4.242 4.480 0.004 0.000 0.258 173 M C 2.438 178.766 176.300 0.047 0.000 1.069 173 M CA 1.993 57.232 55.300 -0.102 0.000 1.102 173 M CB -0.430 31.924 32.600 -0.412 0.000 1.336 173 M HN 0.265 nan 8.290 nan 0.000 0.404 174 A N -0.695 122.262 122.820 0.229 0.000 1.930 174 A HA 0.050 4.372 4.320 0.004 0.000 0.215 174 A C 1.868 179.544 177.584 0.153 0.000 1.176 174 A CA 1.161 53.376 52.037 0.296 0.000 0.632 174 A CB -0.194 19.017 19.000 0.352 0.000 0.819 174 A HN 0.501 nan 8.150 nan 0.000 0.445 175 L N -3.051 118.246 121.223 0.124 0.000 3.039 175 L HA 0.189 4.532 4.340 0.004 0.000 0.269 175 L C 1.840 178.739 176.870 0.048 0.000 1.169 175 L CA 0.001 54.860 54.840 0.031 0.000 0.986 175 L CB 0.095 42.149 42.059 -0.009 0.000 1.377 175 L HN 0.444 nan 8.230 nan 0.000 0.575 176 Y N 1.548 121.848 120.300 0.001 0.000 2.097 176 Y HA -0.340 4.212 4.550 0.004 0.000 0.282 176 Y C 2.252 178.165 175.900 0.022 0.000 1.152 176 Y CA 2.303 60.413 58.100 0.017 0.000 1.136 176 Y CB 0.033 38.486 38.460 -0.012 0.000 0.975 176 Y HN 0.221 nan 8.280 nan 0.000 0.498 177 D N -0.653 119.733 120.400 -0.023 0.000 2.117 177 D HA -0.164 4.478 4.640 0.004 0.000 0.197 177 D C 2.253 178.469 176.300 -0.141 0.000 0.987 177 D CA 1.477 55.412 54.000 -0.108 0.000 0.829 177 D CB -0.266 40.535 40.800 0.002 0.000 0.961 177 D HN 0.267 nan 8.370 nan 0.000 0.460 178 V N 0.602 120.450 119.914 -0.111 0.000 2.255 178 V HA -0.239 3.884 4.120 0.004 0.000 0.247 178 V C 2.705 178.682 176.094 -0.195 0.000 1.051 178 V CA 1.946 64.161 62.300 -0.142 0.000 1.018 178 V CB -0.758 30.959 31.823 -0.175 0.000 0.641 178 V HN 0.341 nan 8.190 nan 0.000 0.445 179 V N -2.540 117.242 119.914 -0.220 0.000 3.141 179 V HA -0.051 4.071 4.120 0.004 0.000 0.265 179 V C 1.988 177.927 176.094 -0.259 0.000 1.126 179 V CA 1.933 64.097 62.300 -0.227 0.000 1.141 179 V CB -0.248 31.470 31.823 -0.176 0.000 0.743 179 V HN 0.456 nan 8.190 nan 0.000 0.492 180 S N 0.285 115.820 115.700 -0.274 0.000 2.478 180 S HA 0.015 4.487 4.470 0.004 0.000 0.222 180 S C 1.817 176.301 174.600 -0.193 0.000 1.008 180 S CA 1.404 59.452 58.200 -0.254 0.000 0.928 180 S CB 0.077 63.056 63.200 -0.368 0.000 0.781 180 S HN 0.772 nan 8.310 nan 0.000 0.518 181 T N 1.310 115.749 114.554 -0.192 0.000 3.019 181 T HA 0.290 4.642 4.350 0.004 0.000 0.247 181 T C 1.628 176.215 174.700 -0.189 0.000 0.992 181 T CA -0.160 61.847 62.100 -0.155 0.000 1.036 181 T CB -0.130 68.672 68.868 -0.110 0.000 1.063 181 T HN 0.172 nan 8.240 nan 0.000 0.476 182 L N 2.051 123.160 121.223 -0.190 0.000 2.046 182 L HA 0.016 4.358 4.340 0.004 0.000 0.208 182 L C -1.037 175.663 176.870 -0.284 0.000 1.077 182 L CA 1.438 56.172 54.840 -0.176 0.000 0.747 182 L CB -0.781 41.222 42.059 -0.094 0.000 0.896 182 L HN 0.121 nan 8.230 nan 0.000 0.432 183 P HA -0.236 nan 4.420 nan 0.000 0.215 183 P C 1.346 178.181 177.300 -0.776 0.000 1.157 183 P CA 1.336 63.985 63.100 -0.751 0.000 0.868 183 P CB -0.185 30.704 31.700 -1.352 0.000 0.788 184 Q N 0.025 119.418 119.800 -0.679 0.000 2.167 184 Q HA -0.094 4.248 4.340 0.004 0.000 0.202 184 Q C 1.945 177.807 176.000 -0.229 0.000 0.970 184 Q CA 1.348 56.945 55.803 -0.344 0.000 0.855 184 Q CB -0.657 27.983 28.738 -0.164 0.000 0.911 184 Q HN 0.072 nan 8.270 nan 0.000 0.438 185 V N 0.102 119.888 119.914 -0.213 0.000 2.358 185 V HA -0.205 3.917 4.120 0.004 0.000 0.246 185 V C 2.476 178.478 176.094 -0.153 0.000 1.047 185 V CA 1.428 63.641 62.300 -0.145 0.000 1.035 185 V CB -0.391 31.363 31.823 -0.114 0.000 0.658 185 V HN 0.137 nan 8.190 nan 0.000 0.452 186 V N -0.766 119.023 119.914 -0.210 0.000 2.488 186 V HA -0.133 3.990 4.120 0.004 0.000 0.246 186 V C 1.965 177.886 176.094 -0.289 0.000 1.046 186 V CA 1.967 64.141 62.300 -0.210 0.000 1.053 186 V CB -0.366 31.325 31.823 -0.220 0.000 0.679 186 V HN 0.479 nan 8.190 nan 0.000 0.458 187 M N -1.259 118.108 119.600 -0.388 0.000 2.308 187 M HA 0.389 4.872 4.480 0.004 0.000 0.269 187 M C 1.450 177.624 176.300 -0.211 0.000 1.040 187 M CA 0.704 55.698 55.300 -0.510 0.000 1.024 187 M CB 0.658 32.813 32.600 -0.742 0.000 1.465 187 M HN 0.417 nan 8.290 nan 0.000 0.517 188 G N 1.889 110.600 108.800 -0.148 0.000 2.611 188 G HA2 -0.399 3.563 3.960 0.004 0.000 0.301 188 G HA3 -0.399 3.563 3.960 0.004 0.000 0.301 188 G C 0.858 175.715 174.900 -0.071 0.000 1.233 188 G CA 0.947 46.005 45.100 -0.071 0.000 0.993 188 G HN 0.535 nan 8.290 nan 0.000 0.553 189 S N -0.660 115.029 115.700 -0.019 0.000 2.500 189 S HA 0.073 4.546 4.470 0.004 0.000 0.239 189 S C 2.161 176.605 174.600 -0.259 0.000 0.989 189 S CA 1.941 60.092 58.200 -0.082 0.000 0.951 189 S CB -0.073 63.191 63.200 0.107 0.000 0.759 189 S HN 0.977 nan 8.310 nan 0.000 0.523 190 S N 0.204 115.863 115.700 -0.068 0.000 2.522 190 S HA 0.140 4.612 4.470 0.004 0.000 0.227 190 S C 0.171 174.729 174.600 -0.069 0.000 0.986 190 S CA -0.165 58.033 58.200 -0.002 0.000 0.929 190 S CB -0.378 62.948 63.200 0.211 0.000 0.769 190 S HN 0.697 nan 8.310 nan 0.000 0.529 191 Y N 2.850 122.973 120.300 -0.295 0.000 2.531 191 Y HA 0.465 5.017 4.550 0.003 0.000 0.347 191 Y C 1.248 176.881 175.900 -0.445 0.000 1.024 191 Y CA -1.397 56.500 58.100 -0.338 0.000 1.306 191 Y CB 0.092 38.359 38.460 -0.322 0.000 1.149 191 Y HN 0.055 nan 8.280 nan 0.000 0.527 192 G N 4.471 112.770 108.800 -0.836 0.000 2.422 192 G HA2 -0.250 3.712 3.960 0.004 0.000 0.218 192 G HA3 -0.250 3.712 3.960 0.004 0.000 0.218 192 G C 1.018 175.348 174.900 -0.950 0.000 1.140 192 G CA 0.250 44.888 45.100 -0.771 0.000 0.775 192 G HN 0.636 nan 8.290 nan 0.000 0.545 193 F N 1.311 120.488 119.950 -1.288 0.000 2.802 193 F HA 0.066 4.595 4.527 0.004 0.000 0.300 193 F C 2.786 178.306 175.800 -0.466 0.000 1.168 193 F CA 0.721 58.085 58.000 -1.059 0.000 1.433 193 F CB -0.033 38.352 39.000 -1.024 0.000 1.115 193 F HN 0.363 nan 8.300 nan 0.000 0.582 194 Q N -0.777 118.760 119.800 -0.440 0.000 2.472 194 Q HA -0.081 4.261 4.340 0.004 0.000 0.208 194 Q C -0.645 175.267 176.000 -0.148 0.000 0.958 194 Q CA 0.791 56.459 55.803 -0.224 0.000 0.932 194 Q CB -0.260 28.252 28.738 -0.378 0.000 1.007 194 Q HN 0.271 nan 8.270 nan 0.000 0.508 195 Y N 1.683 121.991 120.300 0.013 0.000 2.360 195 Y HA 0.314 4.866 4.550 0.004 0.000 0.337 195 Y C 0.515 176.235 175.900 -0.299 0.000 1.039 195 Y CA -1.612 56.429 58.100 -0.098 0.000 1.109 195 Y CB 1.589 39.956 38.460 -0.156 0.000 1.201 195 Y HN 0.098 nan 8.280 nan 0.000 0.458 196 S N 2.615 118.040 115.700 -0.460 0.000 2.596 196 S HA 0.169 4.641 4.470 0.004 0.000 0.260 196 S C -1.969 172.348 174.600 -0.471 0.000 1.336 196 S CA -0.933 56.621 58.200 -1.077 0.000 0.993 196 S CB 0.987 63.715 63.200 -0.787 0.000 0.923 196 S HN 0.440 nan 8.310 nan 0.000 0.567 197 P HA -0.030 nan 4.420 nan 0.000 0.216 197 P C 1.699 178.943 177.300 -0.093 0.000 1.153 197 P CA 1.787 64.790 63.100 -0.162 0.000 0.858 197 P CB -0.528 31.126 31.700 -0.076 0.000 0.789 198 G N -0.471 108.266 108.800 -0.105 0.000 2.408 198 G HA2 -0.253 3.709 3.960 0.004 0.000 0.217 198 G HA3 -0.253 3.709 3.960 0.004 0.000 0.217 198 G C 1.527 176.379 174.900 -0.079 0.000 1.150 198 G CA 0.489 45.565 45.100 -0.039 0.000 0.776 198 G HN 0.307 nan 8.290 nan 0.000 0.542 199 Q N -0.502 119.225 119.800 -0.122 0.000 2.167 199 Q HA 0.000 4.342 4.340 0.004 0.000 0.202 199 Q C 2.583 178.376 176.000 -0.345 0.000 0.970 199 Q CA 0.866 56.580 55.803 -0.150 0.000 0.855 199 Q CB -0.115 28.616 28.738 -0.012 0.000 0.911 199 Q HN 0.439 nan 8.270 nan 0.000 0.438 200 R N 0.326 120.666 120.500 -0.267 0.000 2.075 200 R HA -0.118 4.224 4.340 0.004 0.000 0.232 200 R C 2.085 178.290 176.300 -0.159 0.000 1.126 200 R CA 1.103 57.041 56.100 -0.270 0.000 0.963 200 R CB -0.075 30.172 30.300 -0.087 0.000 0.858 200 R HN 0.099 nan 8.270 nan 0.000 0.435 201 V N 1.415 121.262 119.914 -0.111 0.000 2.295 201 V HA -0.257 3.865 4.120 0.004 0.000 0.246 201 V C 2.354 178.374 176.094 -0.123 0.000 1.049 201 V CA 2.273 64.514 62.300 -0.098 0.000 1.024 201 V CB -0.613 31.190 31.823 -0.034 0.000 0.648 201 V HN 0.498 nan 8.190 nan 0.000 0.447 202 E N -0.346 119.793 120.200 -0.102 0.000 2.058 202 E HA -0.296 4.056 4.350 0.004 0.000 0.194 202 E C 2.104 178.645 176.600 -0.098 0.000 0.997 202 E CA 1.924 58.273 56.400 -0.086 0.000 0.801 202 E CB -0.247 29.416 29.700 -0.061 0.000 0.746 202 E HN 0.566 nan 8.360 nan 0.000 0.450 203 F N 1.027 120.795 119.950 -0.304 0.000 2.146 203 F HA -0.107 4.422 4.527 0.004 0.000 0.298 203 F C 1.889 177.579 175.800 -0.184 0.000 1.096 203 F CA 1.229 59.056 58.000 -0.289 0.000 1.275 203 F CB -0.186 38.499 39.000 -0.525 0.000 1.008 203 F HN 0.003 nan 8.300 nan 0.000 0.480 204 L N -0.657 120.451 121.223 -0.191 0.000 2.017 204 L HA -0.230 4.112 4.340 0.004 0.000 0.208 204 L C 2.413 179.141 176.870 -0.237 0.000 1.073 204 L CA 1.207 55.907 54.840 -0.234 0.000 0.745 204 L CB -0.932 41.035 42.059 -0.154 0.000 0.894 204 L HN 0.008 nan 8.230 nan 0.000 0.432 205 V N 0.125 119.884 119.914 -0.259 0.000 2.295 205 V HA -0.281 3.841 4.120 0.004 0.000 0.246 205 V C 2.240 178.243 176.094 -0.152 0.000 1.049 205 V CA 1.935 64.069 62.300 -0.276 0.000 1.024 205 V CB -0.692 30.878 31.823 -0.422 0.000 0.648 205 V HN 0.482 nan 8.190 nan 0.000 0.447 206 N N 0.008 118.604 118.700 -0.174 0.000 2.120 206 N HA -0.133 4.609 4.740 0.004 0.000 0.188 206 N C 1.918 177.321 175.510 -0.178 0.000 1.024 206 N CA 1.934 54.898 53.050 -0.143 0.000 0.852 206 N CB -0.692 37.720 38.487 -0.124 0.000 1.003 206 N HN 0.458 nan 8.380 nan 0.000 0.424 207 T N 0.608 114.971 114.554 -0.319 0.000 2.708 207 T HA -0.147 4.205 4.350 0.004 0.000 0.266 207 T C 1.502 176.120 174.700 -0.138 0.000 1.037 207 T CA 0.687 62.590 62.100 -0.328 0.000 1.146 207 T CB -0.274 68.240 68.868 -0.589 0.000 0.865 207 T HN 0.413 nan 8.240 nan 0.000 0.435 208 W N 2.269 123.413 121.300 -0.261 0.000 2.318 208 W HA -0.171 4.491 4.660 0.004 0.000 0.313 208 W C 1.913 178.350 176.519 -0.137 0.000 1.221 208 W CA 1.436 58.670 57.345 -0.184 0.000 1.266 208 W CB -0.213 29.132 29.460 -0.192 0.000 1.150 208 W HN 0.270 nan 8.180 nan 0.000 0.496 209 K N 0.229 120.646 120.400 0.029 0.000 2.283 209 K HA -0.147 4.175 4.320 0.004 0.000 0.202 209 K C 2.126 178.669 176.600 -0.095 0.000 1.048 209 K CA 1.696 57.962 56.287 -0.034 0.000 0.948 209 K CB -0.366 32.134 32.500 0.001 0.000 0.742 209 K HN 0.083 nan 8.250 nan 0.000 0.458 210 S N 0.519 116.151 115.700 -0.113 0.000 2.481 210 S HA -0.017 4.455 4.470 0.004 0.000 0.231 210 S C 0.564 175.087 174.600 -0.129 0.000 0.996 210 S CA 0.426 58.562 58.200 -0.107 0.000 0.942 210 S CB 0.018 63.156 63.200 -0.104 0.000 0.768 210 S HN -0.033 nan 8.310 nan 0.000 0.520 211 K N 1.816 122.099 120.400 -0.195 0.000 2.143 211 K HA 0.382 4.705 4.320 0.004 0.000 0.272 211 K C 0.630 177.114 176.600 -0.195 0.000 1.001 211 K CA -0.370 55.790 56.287 -0.213 0.000 0.915 211 K CB 1.056 33.365 32.500 -0.318 0.000 1.047 211 K HN 0.163 nan 8.250 nan 0.000 0.458 212 K N 1.041 121.355 120.400 -0.143 0.000 2.025 212 K HA -0.038 4.284 4.320 0.004 0.000 0.207 212 K C 0.117 176.636 176.600 -0.134 0.000 1.049 212 K CA 1.136 57.355 56.287 -0.113 0.000 0.933 212 K CB 0.157 32.609 32.500 -0.079 0.000 0.714 212 K HN 0.446 nan 8.250 nan 0.000 0.438 213 N N 1.312 119.921 118.700 -0.152 0.000 2.762 213 N HA 0.207 4.949 4.740 0.004 0.000 0.252 213 N C -2.880 172.503 175.510 -0.213 0.000 1.269 213 N CA -1.129 51.833 53.050 -0.148 0.000 0.799 213 N CB 1.587 40.022 38.487 -0.087 0.000 1.173 213 N HN 0.027 nan 8.380 nan 0.000 0.516 214 P HA 0.182 nan 4.420 nan 0.000 0.275 214 P C -0.220 176.796 177.300 -0.473 0.000 1.227 214 P CA -0.305 62.360 63.100 -0.725 0.000 0.781 214 P CB 1.293 31.951 31.700 -1.736 0.000 0.906 215 M N 2.070 121.484 119.600 -0.310 0.000 2.501 215 M HA 0.663 5.145 4.480 0.004 0.000 0.293 215 M C -1.149 175.153 176.300 0.003 0.000 1.192 215 M CA -0.358 54.877 55.300 -0.109 0.000 0.886 215 M CB 2.577 35.179 32.600 0.002 0.000 1.710 215 M HN 0.568 nan 8.290 nan 0.000 0.457 216 G N 3.426 112.312 108.800 0.142 0.000 2.659 216 G HA2 0.826 4.788 3.960 0.004 0.000 0.296 216 G HA3 0.826 4.788 3.960 0.004 0.000 0.296 216 G C -2.008 172.991 174.900 0.164 0.000 1.369 216 G CA -0.596 44.609 45.100 0.174 0.000 0.937 216 G HN 0.802 nan 8.290 nan 0.000 0.485 217 F N -0.325 119.589 119.950 -0.061 0.000 2.641 217 F HA 0.776 5.305 4.527 0.003 0.000 0.308 217 F C -0.266 175.516 175.800 -0.031 0.000 1.105 217 F CA -1.467 56.491 58.000 -0.069 0.000 0.964 217 F CB 1.352 40.289 39.000 -0.105 0.000 1.294 217 F HN 0.611 nan 8.300 nan 0.000 0.442 218 S N 1.459 117.218 115.700 0.098 0.000 2.541 218 S HA 0.603 5.075 4.470 0.004 0.000 0.283 218 S C -1.480 173.293 174.600 0.288 0.000 1.196 218 S CA -0.567 57.675 58.200 0.071 0.000 1.062 218 S CB 1.523 64.751 63.200 0.047 0.000 1.009 218 S HN 0.836 nan 8.310 nan 0.000 0.502 219 Y N 1.469 121.861 120.300 0.153 0.000 2.328 219 Y HA 0.447 5.000 4.550 0.004 0.000 0.336 219 Y C -0.965 175.052 175.900 0.196 0.000 0.960 219 Y CA -0.885 57.377 58.100 0.269 0.000 1.134 219 Y CB 1.400 40.124 38.460 0.441 0.000 1.166 219 Y HN 0.834 nan 8.280 nan 0.000 0.464 220 D N 4.411 124.640 120.400 -0.284 0.000 2.412 220 D HA 0.225 4.867 4.640 0.004 0.000 0.224 220 D C -0.775 175.340 176.300 -0.307 0.000 1.093 220 D CA -0.089 53.806 54.000 -0.175 0.000 0.850 220 D CB 0.954 41.687 40.800 -0.113 0.000 1.046 220 D HN 0.484 nan 8.370 nan 0.000 0.507 221 T N 3.811 118.370 114.554 0.009 0.000 2.851 221 T HA 0.140 4.492 4.350 0.004 0.000 0.298 221 T C 0.448 175.227 174.700 0.133 0.000 0.977 221 T CA -0.478 61.720 62.100 0.163 0.000 1.126 221 T CB 0.727 69.915 68.868 0.534 0.000 0.916 221 T HN 0.285 nan 8.240 nan 0.000 0.529 222 R N 2.378 122.918 120.500 0.067 0.000 2.351 222 R HA 0.150 4.492 4.340 0.004 0.000 0.318 222 R C 0.213 176.592 176.300 0.133 0.000 1.055 222 R CA -0.230 55.901 56.100 0.052 0.000 0.968 222 R CB -0.577 29.701 30.300 -0.036 0.000 0.974 222 R HN 0.943 nan 8.270 nan 0.000 0.439 223 C N 6.525 125.938 119.300 0.189 0.000 3.514 223 C HA -0.186 4.277 4.460 0.004 0.000 0.286 223 C C 1.220 176.412 174.990 0.336 0.000 1.302 223 C CA 0.184 59.367 59.018 0.275 0.000 2.239 223 C CB -2.402 25.539 27.740 0.336 0.000 1.429 223 C HN 1.064 nan 8.230 nan 0.000 0.565 224 F N 1.884 121.947 119.950 0.188 0.000 2.087 224 F HA -0.105 4.424 4.527 0.003 0.000 0.299 224 F C 1.809 177.724 175.800 0.191 0.000 1.100 224 F CA 2.547 60.660 58.000 0.189 0.000 1.226 224 F CB -0.121 38.978 39.000 0.166 0.000 0.983 224 F HN 0.569 nan 8.300 nan 0.000 0.479 225 D N -0.418 120.240 120.400 0.430 0.000 2.123 225 D HA -0.166 4.476 4.640 0.004 0.000 0.196 225 D C 2.421 178.810 176.300 0.148 0.000 0.992 225 D CA 1.731 55.910 54.000 0.298 0.000 0.833 225 D CB -0.506 40.463 40.800 0.281 0.000 0.954 225 D HN 0.259 nan 8.370 nan 0.000 0.455 226 S N -0.608 115.207 115.700 0.190 0.000 2.489 226 S HA -0.083 4.389 4.470 0.004 0.000 0.228 226 S C 1.992 176.612 174.600 0.033 0.000 0.995 226 S CA 1.209 59.445 58.200 0.061 0.000 0.934 226 S CB -0.121 63.150 63.200 0.119 0.000 0.771 226 S HN 0.512 nan 8.310 nan 0.000 0.522 227 T N -0.470 114.175 114.554 0.152 0.000 3.067 227 T HA 0.131 4.484 4.350 0.004 0.000 0.261 227 T C 0.613 175.267 174.700 -0.077 0.000 1.110 227 T CA 0.029 62.192 62.100 0.105 0.000 1.113 227 T CB -0.386 68.482 68.868 -0.000 0.000 0.917 227 T HN 0.033 nan 8.240 nan 0.000 0.499 228 V N 3.976 123.809 119.914 -0.136 0.000 2.479 228 V HA 0.338 4.460 4.120 0.004 0.000 0.281 228 V C 1.122 177.178 176.094 -0.063 0.000 1.031 228 V CA -0.227 62.007 62.300 -0.110 0.000 1.038 228 V CB 0.269 32.069 31.823 -0.039 0.000 0.981 228 V HN 0.725 nan 8.190 nan 0.000 0.478 229 T N 0.784 115.312 114.554 -0.043 0.000 2.897 229 T HA 0.329 4.681 4.350 0.004 0.000 0.278 229 T C 1.032 175.726 174.700 -0.011 0.000 0.981 229 T CA -0.296 61.786 62.100 -0.031 0.000 0.973 229 T CB 1.555 70.404 68.868 -0.031 0.000 1.092 229 T HN 0.686 nan 8.240 nan 0.000 0.543 230 E N 0.532 120.732 120.200 0.001 0.000 2.058 230 E HA -0.288 4.065 4.350 0.004 0.000 0.194 230 E C 1.950 178.560 176.600 0.017 0.000 0.997 230 E CA 1.723 58.133 56.400 0.017 0.000 0.801 230 E CB -0.276 29.441 29.700 0.028 0.000 0.746 230 E HN 0.765 nan 8.360 nan 0.000 0.450 231 N N 0.780 119.484 118.700 0.006 0.000 2.037 231 N HA -0.229 4.513 4.740 0.004 0.000 0.196 231 N C 1.471 176.995 175.510 0.022 0.000 1.034 231 N CA 2.347 55.401 53.050 0.006 0.000 0.861 231 N CB -0.205 38.268 38.487 -0.023 0.000 1.039 231 N HN 0.170 nan 8.380 nan 0.000 0.427 232 D N -0.175 120.237 120.400 0.020 0.000 2.123 232 D HA -0.115 4.527 4.640 0.004 0.000 0.196 232 D C 1.989 178.302 176.300 0.023 0.000 0.992 232 D CA 1.047 55.072 54.000 0.040 0.000 0.833 232 D CB -0.270 40.550 40.800 0.032 0.000 0.954 232 D HN 0.474 nan 8.370 nan 0.000 0.455 233 I N 0.522 121.107 120.570 0.024 0.000 2.439 233 I HA -0.150 4.022 4.170 0.004 0.000 0.251 233 I C 2.460 178.585 176.117 0.013 0.000 1.139 233 I CA 0.709 62.027 61.300 0.031 0.000 1.438 233 I CB -0.021 38.020 38.000 0.068 0.000 1.085 233 I HN -0.123 nan 8.210 nan 0.000 0.427 234 R N 0.088 120.596 120.500 0.014 0.000 2.092 234 R HA -0.084 4.259 4.340 0.004 0.000 0.231 234 R C 2.338 178.616 176.300 -0.037 0.000 1.119 234 R CA 1.078 57.179 56.100 0.002 0.000 0.970 234 R CB -0.443 29.865 30.300 0.013 0.000 0.864 234 R HN 0.204 nan 8.270 nan 0.000 0.440 235 V N 1.550 121.446 119.914 -0.029 0.000 2.343 235 V HA -0.245 3.877 4.120 0.004 0.000 0.247 235 V C 1.966 177.966 176.094 -0.156 0.000 1.051 235 V CA 1.837 64.106 62.300 -0.052 0.000 1.036 235 V CB -0.414 31.417 31.823 0.013 0.000 0.654 235 V HN 0.352 nan 8.190 nan 0.000 0.451 236 E N -0.249 119.828 120.200 -0.204 0.000 2.058 236 E HA -0.283 4.069 4.350 0.004 0.000 0.194 236 E C 2.328 178.426 176.600 -0.837 0.000 0.997 236 E CA 1.556 57.676 56.400 -0.467 0.000 0.801 236 E CB -0.209 29.278 29.700 -0.356 0.000 0.746 236 E HN 0.636 nan 8.360 nan 0.000 0.450 237 E N 0.597 120.517 120.200 -0.467 0.000 2.085 237 E HA -0.223 4.130 4.350 0.004 0.000 0.194 237 E C 2.185 178.681 176.600 -0.174 0.000 0.994 237 E CA 1.595 57.840 56.400 -0.259 0.000 0.801 237 E CB -0.021 29.686 29.700 0.012 0.000 0.743 237 E HN 0.237 nan 8.360 nan 0.000 0.453 238 S N 0.370 115.987 115.700 -0.139 0.000 2.400 238 S HA -0.174 4.298 4.470 0.004 0.000 0.232 238 S C 2.052 176.597 174.600 -0.090 0.000 1.025 238 S CA 1.220 59.373 58.200 -0.079 0.000 0.993 238 S CB -0.581 62.584 63.200 -0.059 0.000 0.808 238 S HN 0.315 nan 8.310 nan 0.000 0.478 239 I N 0.119 120.583 120.570 -0.176 0.000 2.233 239 I HA -0.117 4.055 4.170 0.004 0.000 0.243 239 I C 2.331 178.436 176.117 -0.020 0.000 1.093 239 I CA 1.269 62.491 61.300 -0.130 0.000 1.380 239 I CB -0.567 37.326 38.000 -0.180 0.000 1.067 239 I HN 0.219 nan 8.210 nan 0.000 0.413 240 Y N 1.044 121.339 120.300 -0.009 0.000 2.207 240 Y HA -0.225 4.327 4.550 0.003 0.000 0.287 240 Y C 2.578 178.481 175.900 0.005 0.000 1.156 240 Y CA 0.677 58.775 58.100 -0.003 0.000 1.182 240 Y CB -1.101 37.371 38.460 0.020 0.000 0.979 240 Y HN 0.263 nan 8.280 nan 0.000 0.521 241 Q N -1.312 118.572 119.800 0.140 0.000 2.472 241 Q HA -0.072 4.270 4.340 0.004 0.000 0.208 241 Q C 2.236 178.267 176.000 0.052 0.000 0.958 241 Q CA 0.680 56.536 55.803 0.088 0.000 0.932 241 Q CB -0.624 28.150 28.738 0.060 0.000 1.007 241 Q HN 0.523 nan 8.270 nan 0.000 0.508 242 C N 0.284 119.608 119.300 0.040 0.000 2.432 242 C HA -0.044 4.418 4.460 0.004 0.000 0.282 242 C C 1.595 176.599 174.990 0.024 0.000 1.388 242 C CA -0.591 58.439 59.018 0.021 0.000 1.777 242 C CB -0.703 27.040 27.740 0.005 0.000 1.882 242 C HN 0.414 nan 8.230 nan 0.000 0.520 243 C N 1.955 121.279 119.300 0.040 0.000 2.727 243 C HA 0.114 4.576 4.460 0.004 0.000 0.401 243 C C 0.598 175.604 174.990 0.028 0.000 1.294 243 C CA -0.257 58.779 59.018 0.030 0.000 2.134 243 C CB -0.233 27.530 27.740 0.038 0.000 2.724 243 C HN 0.512 nan 8.230 nan 0.000 0.677 244 D N 1.914 122.325 120.400 0.019 0.000 2.352 244 D HA 0.414 5.056 4.640 0.004 0.000 0.245 244 D C -0.643 175.672 176.300 0.026 0.000 1.224 244 D CA 0.352 54.364 54.000 0.020 0.000 0.879 244 D CB 0.024 40.832 40.800 0.013 0.000 1.057 244 D HN 0.401 nan 8.370 nan 0.000 0.491 245 L N 2.120 123.363 121.223 0.034 0.000 2.354 245 L HA 0.639 4.981 4.340 0.004 0.000 0.264 245 L C 0.423 177.321 176.870 0.047 0.000 1.008 245 L CA -1.413 53.453 54.840 0.044 0.000 0.819 245 L CB 1.854 43.946 42.059 0.056 0.000 1.339 245 L HN 0.341 nan 8.230 nan 0.000 0.420 246 A N 1.980 124.835 122.820 0.058 0.000 2.445 246 A HA 0.338 4.660 4.320 0.004 0.000 0.242 246 A C -1.798 175.827 177.584 0.068 0.000 1.075 246 A CA -0.812 51.263 52.037 0.063 0.000 0.777 246 A CB -0.149 18.898 19.000 0.078 0.000 1.013 246 A HN 0.634 nan 8.150 nan 0.000 0.493 247 P HA -0.186 nan 4.420 nan 0.000 0.216 247 P C 1.098 178.431 177.300 0.055 0.000 1.153 247 P CA 1.705 64.833 63.100 0.047 0.000 0.858 247 P CB 0.145 31.867 31.700 0.037 0.000 0.789 248 E N -0.738 119.519 120.200 0.095 0.000 2.110 248 E HA -0.153 4.199 4.350 0.004 0.000 0.193 248 E C 2.074 178.753 176.600 0.132 0.000 0.988 248 E CA 1.122 57.596 56.400 0.124 0.000 0.804 248 E CB -0.472 29.401 29.700 0.289 0.000 0.745 248 E HN 0.159 nan 8.360 nan 0.000 0.458 249 A N 1.521 124.451 122.820 0.183 0.000 1.902 249 A HA -0.196 4.127 4.320 0.004 0.000 0.217 249 A C 2.049 179.686 177.584 0.089 0.000 1.181 249 A CA 1.195 53.341 52.037 0.182 0.000 0.623 249 A CB -0.364 18.732 19.000 0.160 0.000 0.818 249 A HN 0.088 nan 8.150 nan 0.000 0.443 250 R N -1.074 119.464 120.500 0.063 0.000 2.083 250 R HA -0.207 4.135 4.340 0.004 0.000 0.237 250 R C 2.520 178.826 176.300 0.009 0.000 1.137 250 R CA 1.815 57.941 56.100 0.044 0.000 0.951 250 R CB -0.338 29.983 30.300 0.035 0.000 0.851 250 R HN 0.660 nan 8.270 nan 0.000 0.434 251 Q N 0.688 120.471 119.800 -0.028 0.000 2.050 251 Q HA -0.094 4.248 4.340 0.004 0.000 0.202 251 Q C 1.981 177.897 176.000 -0.140 0.000 0.980 251 Q CA 2.016 57.770 55.803 -0.081 0.000 0.840 251 Q CB -0.275 28.399 28.738 -0.107 0.000 0.898 251 Q HN 0.338 nan 8.270 nan 0.000 0.424 252 A N 0.221 122.913 122.820 -0.212 0.000 1.908 252 A HA -0.172 4.150 4.320 0.004 0.000 0.218 252 A C 2.138 179.655 177.584 -0.112 0.000 1.181 252 A CA 1.653 53.510 52.037 -0.299 0.000 0.627 252 A CB -0.800 17.919 19.000 -0.468 0.000 0.818 252 A HN 0.503 nan 8.150 nan 0.000 0.445 253 I N -0.737 119.831 120.570 -0.002 0.000 2.252 253 I HA -0.235 3.937 4.170 0.004 0.000 0.245 253 I C 2.533 178.698 176.117 0.080 0.000 1.102 253 I CA 1.732 63.087 61.300 0.092 0.000 1.385 253 I CB -0.225 37.864 38.000 0.148 0.000 1.064 253 I HN 0.393 nan 8.210 nan 0.000 0.414 254 K N 0.575 120.993 120.400 0.032 0.000 2.026 254 K HA -0.215 4.107 4.320 0.004 0.000 0.208 254 K C 2.378 178.961 176.600 -0.029 0.000 1.048 254 K CA 1.888 58.184 56.287 0.016 0.000 0.929 254 K CB -0.139 32.359 32.500 -0.004 0.000 0.713 254 K HN 0.104 nan 8.250 nan 0.000 0.439 255 S N 0.719 116.371 115.700 -0.080 0.000 2.359 255 S HA -0.107 4.365 4.470 0.004 0.000 0.224 255 S C 1.979 176.491 174.600 -0.146 0.000 1.035 255 S CA 1.232 59.363 58.200 -0.115 0.000 1.018 255 S CB -0.279 62.823 63.200 -0.163 0.000 0.876 255 S HN 0.354 nan 8.310 nan 0.000 0.448 256 L N 0.672 121.782 121.223 -0.188 0.000 2.083 256 L HA -0.107 4.235 4.340 0.004 0.000 0.209 256 L C 2.755 179.344 176.870 -0.467 0.000 1.083 256 L CA 1.546 56.156 54.840 -0.383 0.000 0.752 256 L CB -0.968 40.828 42.059 -0.439 0.000 0.899 256 L HN 0.342 nan 8.230 nan 0.000 0.433 257 T N -1.033 113.445 114.554 -0.127 0.000 2.674 257 T HA -0.150 4.202 4.350 0.004 0.000 0.265 257 T C 1.794 176.501 174.700 0.011 0.000 1.039 257 T CA 1.160 63.306 62.100 0.078 0.000 1.150 257 T CB -0.099 68.883 68.868 0.189 0.000 0.864 257 T HN 0.286 nan 8.240 nan 0.000 0.427 258 E N 1.049 121.237 120.200 -0.020 0.000 2.106 258 E HA -0.035 4.317 4.350 0.004 0.000 0.192 258 E C 2.329 178.912 176.600 -0.029 0.000 0.984 258 E CA 1.002 57.394 56.400 -0.014 0.000 0.806 258 E CB -0.102 29.586 29.700 -0.021 0.000 0.750 258 E HN 0.460 nan 8.360 nan 0.000 0.458 259 R N -0.725 119.729 120.500 -0.076 0.000 2.206 259 R HA 0.123 4.466 4.340 0.004 0.000 0.198 259 R C 1.839 178.083 176.300 -0.094 0.000 0.986 259 R CA 0.196 56.252 56.100 -0.073 0.000 1.029 259 R CB 0.301 30.549 30.300 -0.088 0.000 0.966 259 R HN 0.035 nan 8.270 nan 0.000 0.487 260 L N -1.974 119.150 121.223 -0.164 0.000 2.666 260 L HA 0.196 4.538 4.340 0.004 0.000 0.184 260 L C 1.299 178.154 176.870 -0.025 0.000 1.092 260 L CA 0.861 55.605 54.840 -0.159 0.000 0.857 260 L CB -0.327 41.549 42.059 -0.305 0.000 1.281 260 L HN -0.121 nan 8.230 nan 0.000 0.489 261 Y N 0.440 120.759 120.300 0.031 0.000 2.181 261 Y HA -0.061 4.491 4.550 0.003 0.000 0.288 261 Y C 2.552 178.462 175.900 0.016 0.000 1.146 261 Y CA 1.440 59.567 58.100 0.044 0.000 1.164 261 Y CB -0.932 37.579 38.460 0.086 0.000 0.982 261 Y HN 0.136 nan 8.280 nan 0.000 0.515 262 I N -1.012 119.645 120.570 0.145 0.000 2.394 262 I HA -0.024 4.148 4.170 0.004 0.000 0.251 262 I C 1.204 177.332 176.117 0.019 0.000 1.136 262 I CA 1.261 62.606 61.300 0.075 0.000 1.425 262 I CB -0.327 37.710 38.000 0.061 0.000 1.079 262 I HN 0.285 nan 8.210 nan 0.000 0.425 263 G N -0.996 107.794 108.800 -0.018 0.000 2.313 263 G HA2 0.493 4.456 3.960 0.004 0.000 0.296 263 G HA3 0.493 4.456 3.960 0.004 0.000 0.296 263 G C -1.054 173.684 174.900 -0.270 0.000 1.356 263 G CA -0.135 44.878 45.100 -0.145 0.000 0.833 263 G HN 0.380 nan 8.290 nan 0.000 0.552 264 G N -0.861 107.489 108.800 -0.750 0.000 2.321 264 G HA2 0.705 4.667 3.960 0.004 0.000 0.298 264 G HA3 0.705 4.667 3.960 0.004 0.000 0.298 264 G C -3.476 170.828 174.900 -0.992 0.000 1.385 264 G CA 0.015 44.670 45.100 -0.741 0.000 0.856 264 G HN 0.749 nan 8.290 nan 0.000 0.584 265 P HA 0.467 nan 4.420 nan 0.000 0.275 265 P C -0.536 176.685 177.300 -0.131 0.000 1.228 265 P CA -0.193 62.812 63.100 -0.158 0.000 0.786 265 P CB 1.205 32.936 31.700 0.051 0.000 0.927 266 L N 2.107 123.299 121.223 -0.051 0.000 2.313 266 L HA 0.463 4.805 4.340 0.004 0.000 0.283 266 L C 0.474 177.357 176.870 0.021 0.000 1.013 266 L CA -0.212 54.623 54.840 -0.008 0.000 0.816 266 L CB 1.592 43.695 42.059 0.073 0.000 1.236 266 L HN 0.266 nan 8.230 nan 0.000 0.419 267 T N 1.639 116.180 114.554 -0.023 0.000 2.824 267 T HA 0.321 4.673 4.350 0.004 0.000 0.282 267 T C -0.183 174.497 174.700 -0.034 0.000 0.993 267 T CA -0.828 61.259 62.100 -0.022 0.000 0.967 267 T CB 1.385 70.225 68.868 -0.047 0.000 0.960 267 T HN 0.652 nan 8.240 nan 0.000 0.441 268 N N 0.915 119.611 118.700 -0.006 0.000 2.327 268 N HA 0.110 4.852 4.740 0.004 0.000 0.257 268 N C 1.397 176.895 175.510 -0.021 0.000 1.281 268 N CA -0.349 52.696 53.050 -0.008 0.000 0.942 268 N CB 0.146 38.637 38.487 0.008 0.000 1.199 268 N HN 0.446 nan 8.380 nan 0.000 0.532 269 S N -1.439 114.258 115.700 -0.006 0.000 2.507 269 S HA -0.055 4.418 4.470 0.004 0.000 0.235 269 S C 0.860 175.454 174.600 -0.009 0.000 0.988 269 S CA 0.529 58.728 58.200 -0.002 0.000 0.944 269 S CB -0.434 62.779 63.200 0.021 0.000 0.762 269 S HN 0.626 nan 8.310 nan 0.000 0.526 270 K N 0.576 120.971 120.400 -0.008 0.000 2.404 270 K HA 0.297 4.619 4.320 0.004 0.000 0.194 270 K C 1.190 177.780 176.600 -0.016 0.000 1.023 270 K CA 0.342 56.622 56.287 -0.010 0.000 1.094 270 K CB 0.032 32.530 32.500 -0.004 0.000 0.841 270 K HN 0.507 nan 8.250 nan 0.000 0.523 271 G N 1.794 110.581 108.800 -0.022 0.000 2.159 271 G HA2 -0.288 3.674 3.960 0.004 0.000 0.256 271 G HA3 -0.288 3.674 3.960 0.004 0.000 0.256 271 G C -0.196 174.697 174.900 -0.011 0.000 0.977 271 G CA -0.093 44.992 45.100 -0.026 0.000 0.652 271 G HN 0.346 nan 8.290 nan 0.000 0.531 272 Q N 0.144 119.944 119.800 0.000 0.000 2.299 272 Q HA 0.261 4.604 4.340 0.004 0.000 0.246 272 Q C 0.440 176.457 176.000 0.027 0.000 0.935 272 Q CA -0.513 55.299 55.803 0.015 0.000 0.887 272 Q CB 0.874 29.623 28.738 0.019 0.000 1.223 272 Q HN 0.414 nan 8.270 nan 0.000 0.439 273 N N 1.474 120.198 118.700 0.039 0.000 2.431 273 N HA -0.014 4.728 4.740 0.004 0.000 0.265 273 N C -0.146 175.420 175.510 0.093 0.000 1.184 273 N CA -0.366 52.720 53.050 0.061 0.000 0.943 273 N CB 0.547 39.072 38.487 0.063 0.000 1.080 273 N HN 0.592 nan 8.380 nan 0.000 0.477 274 C N 2.892 122.269 119.300 0.128 0.000 2.590 274 C HA 0.385 4.847 4.460 0.004 0.000 0.272 274 C C 1.268 176.460 174.990 0.337 0.000 1.338 274 C CA 0.508 59.658 59.018 0.220 0.000 1.746 274 C CB -0.933 26.957 27.740 0.249 0.000 2.020 274 C HN 0.960 nan 8.230 nan 0.000 0.531 275 G N -1.537 107.390 108.800 0.213 0.000 2.403 275 G HA2 0.301 4.263 3.960 0.004 0.000 0.223 275 G HA3 0.301 4.263 3.960 0.004 0.000 0.223 275 G C -2.135 172.816 174.900 0.084 0.000 1.287 275 G CA -0.365 44.813 45.100 0.129 0.000 0.982 275 G HN 0.037 nan 8.290 nan 0.000 0.471 276 Y N 0.699 120.887 120.300 -0.187 0.000 2.470 276 Y HA 0.748 5.300 4.550 0.003 0.000 0.341 276 Y C -0.056 175.709 175.900 -0.225 0.000 1.021 276 Y CA -0.844 57.162 58.100 -0.157 0.000 1.025 276 Y CB 1.971 40.350 38.460 -0.135 0.000 1.266 276 Y HN 0.707 nan 8.280 nan 0.000 0.448 277 R N 4.849 125.059 120.500 -0.484 0.000 2.460 277 R HA 0.580 4.922 4.340 0.004 0.000 0.303 277 R C -0.825 175.247 176.300 -0.380 0.000 0.968 277 R CA -0.610 55.212 56.100 -0.464 0.000 0.889 277 R CB 0.952 31.059 30.300 -0.321 0.000 1.123 277 R HN 0.921 nan 8.270 nan 0.000 0.455 278 R N 3.376 123.648 120.500 -0.379 0.000 2.698 278 R HA 0.223 4.565 4.340 0.004 0.000 0.422 278 R C -0.677 175.480 176.300 -0.238 0.000 1.073 278 R CA -0.343 55.642 56.100 -0.193 0.000 1.054 278 R CB 0.469 30.710 30.300 -0.098 0.000 1.373 278 R HN 0.803 nan 8.270 nan 0.000 0.593 279 C N -1.946 117.170 119.300 -0.306 0.000 3.311 279 C HA 0.613 5.076 4.460 0.004 0.000 0.366 279 C C -0.364 174.561 174.990 -0.109 0.000 1.694 279 C CA -1.503 57.382 59.018 -0.222 0.000 1.244 279 C CB 1.243 28.786 27.740 -0.330 0.000 2.038 279 C HN 0.405 nan 8.230 nan 0.000 0.436 280 R N 1.296 121.785 120.500 -0.019 0.000 2.522 280 R HA 0.484 4.827 4.340 0.004 0.000 0.284 280 R C 0.100 176.455 176.300 0.092 0.000 1.032 280 R CA 0.949 57.089 56.100 0.066 0.000 1.049 280 R CB -0.072 30.307 30.300 0.131 0.000 0.956 280 R HN 1.256 nan 8.270 nan 0.000 0.422 281 A N 3.648 126.536 122.820 0.114 0.000 2.409 281 A HA 0.217 4.539 4.320 0.004 0.000 0.267 281 A C 0.948 178.632 177.584 0.166 0.000 1.127 281 A CA 0.091 52.216 52.037 0.148 0.000 0.795 281 A CB 0.361 19.460 19.000 0.164 0.000 1.061 281 A HN 1.013 nan 8.150 nan 0.000 0.502 282 S N 2.003 117.815 115.700 0.188 0.000 2.522 282 S HA 0.100 4.572 4.470 0.004 0.000 0.227 282 S C 1.021 175.722 174.600 0.167 0.000 0.986 282 S CA 0.680 58.987 58.200 0.179 0.000 0.929 282 S CB 0.104 63.418 63.200 0.190 0.000 0.769 282 S HN 1.286 nan 8.310 nan 0.000 0.529 283 G N 1.753 110.672 108.800 0.198 0.000 4.757 283 G HA2 0.527 4.489 3.960 0.004 0.000 0.303 283 G HA3 0.527 4.489 3.960 0.004 0.000 0.303 283 G C -0.240 174.787 174.900 0.211 0.000 1.318 283 G CA -0.124 45.097 45.100 0.202 0.000 1.020 283 G HN 0.570 nan 8.290 nan 0.000 0.589 284 V N -2.373 117.649 119.914 0.180 0.000 3.046 284 V HA 0.607 4.730 4.120 0.004 0.000 0.316 284 V C 1.320 177.492 176.094 0.129 0.000 1.104 284 V CA -0.945 61.477 62.300 0.203 0.000 1.006 284 V CB 1.725 33.737 31.823 0.315 0.000 1.058 284 V HN 0.075 nan 8.190 nan 0.000 0.440 285 L N 2.298 123.610 121.223 0.147 0.000 2.083 285 L HA -0.038 4.304 4.340 0.004 0.000 0.209 285 L C 2.349 179.234 176.870 0.024 0.000 1.083 285 L CA 3.093 58.002 54.840 0.114 0.000 0.752 285 L CB -0.736 41.414 42.059 0.151 0.000 0.899 285 L HN 1.093 nan 8.230 nan 0.000 0.433 286 T N -5.662 108.823 114.554 -0.115 0.000 3.148 286 T HA -0.017 4.335 4.350 0.004 0.000 0.253 286 T C 1.569 176.207 174.700 -0.104 0.000 1.134 286 T CA 0.774 62.752 62.100 -0.204 0.000 1.051 286 T CB -0.772 67.789 68.868 -0.512 0.000 0.959 286 T HN 0.285 nan 8.240 nan 0.000 0.525 287 T N 1.913 116.444 114.554 -0.038 0.000 2.684 287 T HA -0.156 4.196 4.350 0.004 0.000 0.267 287 T C 2.207 176.930 174.700 0.039 0.000 1.036 287 T CA 1.741 63.857 62.100 0.027 0.000 1.148 287 T CB -0.620 68.289 68.868 0.070 0.000 0.863 287 T HN 0.542 nan 8.240 nan 0.000 0.436 288 S N -0.278 115.424 115.700 0.003 0.000 2.345 288 S HA -0.148 4.324 4.470 0.004 0.000 0.220 288 S C 2.452 177.078 174.600 0.044 0.000 1.031 288 S CA 1.376 59.571 58.200 -0.008 0.000 0.996 288 S CB -0.962 62.133 63.200 -0.176 0.000 0.882 288 S HN 0.664 nan 8.310 nan 0.000 0.445 289 C N 1.315 120.613 119.300 -0.002 0.000 2.413 289 C HA 0.054 4.516 4.460 0.004 0.000 0.276 289 C C 2.846 177.891 174.990 0.091 0.000 1.236 289 C CA 1.193 60.227 59.018 0.025 0.000 1.735 289 C CB -1.821 25.900 27.740 -0.032 0.000 2.031 289 C HN 0.727 nan 8.230 nan 0.000 0.474 290 G N 0.507 109.371 108.800 0.108 0.000 2.459 290 G HA2 -0.253 3.709 3.960 0.004 0.000 0.217 290 G HA3 -0.253 3.709 3.960 0.004 0.000 0.217 290 G C 1.501 176.493 174.900 0.154 0.000 1.183 290 G CA 1.239 46.415 45.100 0.127 0.000 0.776 290 G HN 0.599 nan 8.290 nan 0.000 0.552 291 N N 0.357 119.150 118.700 0.156 0.000 2.120 291 N HA -0.080 4.663 4.740 0.004 0.000 0.188 291 N C 2.433 177.991 175.510 0.080 0.000 1.024 291 N CA 1.658 54.806 53.050 0.165 0.000 0.852 291 N CB -0.841 37.652 38.487 0.010 0.000 1.003 291 N HN 0.263 nan 8.380 nan 0.000 0.424 292 T N 1.704 116.313 114.554 0.092 0.000 2.684 292 T HA -0.041 4.311 4.350 0.004 0.000 0.267 292 T C 2.122 176.903 174.700 0.136 0.000 1.036 292 T CA 0.782 62.950 62.100 0.114 0.000 1.148 292 T CB -0.338 68.660 68.868 0.217 0.000 0.863 292 T HN 0.134 nan 8.240 nan 0.000 0.436 293 L N 0.535 121.823 121.223 0.108 0.000 2.046 293 L HA -0.113 4.229 4.340 0.004 0.000 0.208 293 L C 2.951 179.917 176.870 0.160 0.000 1.077 293 L CA 1.239 56.134 54.840 0.091 0.000 0.747 293 L CB -0.938 41.138 42.059 0.029 0.000 0.896 293 L HN 0.284 nan 8.230 nan 0.000 0.432 294 T N -1.450 113.217 114.554 0.189 0.000 2.777 294 T HA -0.216 4.136 4.350 0.004 0.000 0.266 294 T C 2.007 176.894 174.700 0.311 0.000 1.040 294 T CA 1.376 63.616 62.100 0.234 0.000 1.141 294 T CB -0.403 68.635 68.868 0.284 0.000 0.868 294 T HN 0.454 nan 8.240 nan 0.000 0.444 295 C N 0.629 120.155 119.300 0.377 0.000 2.432 295 C HA -0.086 4.376 4.460 0.004 0.000 0.277 295 C C 2.368 177.506 174.990 0.247 0.000 1.249 295 C CA 0.504 59.731 59.018 0.349 0.000 1.725 295 C CB -1.406 26.427 27.740 0.156 0.000 2.028 295 C HN 0.656 nan 8.230 nan 0.000 0.477 296 Y N 0.951 121.306 120.300 0.092 0.000 2.128 296 Y HA -0.169 4.383 4.550 0.003 0.000 0.284 296 Y C 2.202 178.118 175.900 0.027 0.000 1.154 296 Y CA 2.182 60.315 58.100 0.055 0.000 1.149 296 Y CB -0.508 37.969 38.460 0.028 0.000 0.976 296 Y HN 0.355 nan 8.280 nan 0.000 0.505 297 L N 1.029 122.311 121.223 0.098 0.000 1.994 297 L HA -0.194 4.148 4.340 0.004 0.000 0.208 297 L C 2.124 178.903 176.870 -0.151 0.000 1.071 297 L CA 2.017 56.804 54.840 -0.089 0.000 0.745 297 L CB -0.911 41.080 42.059 -0.114 0.000 0.892 297 L HN 0.145 nan 8.230 nan 0.000 0.431 298 K N -0.363 120.019 120.400 -0.030 0.000 2.026 298 K HA -0.109 4.213 4.320 0.004 0.000 0.208 298 K C 2.080 178.684 176.600 0.008 0.000 1.048 298 K CA 1.439 57.716 56.287 -0.017 0.000 0.929 298 K CB -0.483 32.094 32.500 0.128 0.000 0.713 298 K HN 0.496 nan 8.250 nan 0.000 0.439 299 A N 1.196 124.025 122.820 0.014 0.000 1.898 299 A HA -0.137 4.185 4.320 0.004 0.000 0.216 299 A C 2.261 179.864 177.584 0.033 0.000 1.181 299 A CA 1.761 53.832 52.037 0.057 0.000 0.620 299 A CB -0.531 18.568 19.000 0.166 0.000 0.819 299 A HN 0.171 nan 8.150 nan 0.000 0.442 300 S N -0.051 115.555 115.700 -0.156 0.000 2.368 300 S HA -0.066 4.406 4.470 0.004 0.000 0.225 300 S C 2.313 176.860 174.600 -0.088 0.000 1.030 300 S CA 1.244 59.320 58.200 -0.207 0.000 0.999 300 S CB -0.480 62.439 63.200 -0.469 0.000 0.844 300 S HN 0.796 nan 8.310 nan 0.000 0.459 301 A N 1.473 124.251 122.820 -0.070 0.000 1.902 301 A HA 0.114 4.436 4.320 0.004 0.000 0.217 301 A C 2.336 179.978 177.584 0.096 0.000 1.181 301 A CA 1.696 53.756 52.037 0.037 0.000 0.623 301 A CB -1.014 17.995 19.000 0.015 0.000 0.818 301 A HN 0.518 nan 8.150 nan 0.000 0.443 302 A N -1.117 121.759 122.820 0.093 0.000 1.930 302 A HA -0.124 4.199 4.320 0.004 0.000 0.217 302 A C 2.261 179.863 177.584 0.030 0.000 1.175 302 A CA 1.520 53.494 52.037 -0.105 0.000 0.627 302 A CB -1.224 17.366 19.000 -0.683 0.000 0.815 302 A HN 0.588 nan 8.150 nan 0.000 0.443 303 C N -0.792 118.631 119.300 0.207 0.000 2.413 303 C HA -0.116 4.346 4.460 0.004 0.000 0.276 303 C C 2.891 177.897 174.990 0.028 0.000 1.248 303 C CA 1.243 60.399 59.018 0.231 0.000 1.742 303 C CB -1.307 26.531 27.740 0.162 0.000 2.017 303 C HN 0.610 nan 8.230 nan 0.000 0.481 304 R N 0.871 121.303 120.500 -0.113 0.000 2.075 304 R HA -0.054 4.288 4.340 0.004 0.000 0.232 304 R C 2.431 178.438 176.300 -0.487 0.000 1.126 304 R CA 1.464 57.372 56.100 -0.320 0.000 0.963 304 R CB -0.504 29.517 30.300 -0.464 0.000 0.858 304 R HN 0.538 nan 8.270 nan 0.000 0.435 305 A N 1.421 123.969 122.820 -0.452 0.000 1.883 305 A HA -0.118 4.204 4.320 0.004 0.000 0.217 305 A C 2.263 179.808 177.584 -0.065 0.000 1.186 305 A CA 1.795 53.713 52.037 -0.198 0.000 0.624 305 A CB -0.580 18.386 19.000 -0.058 0.000 0.822 305 A HN 0.392 nan 8.150 nan 0.000 0.444 306 A N -1.388 121.422 122.820 -0.018 0.000 2.235 306 A HA 0.186 4.508 4.320 0.004 0.000 0.208 306 A C 1.003 178.597 177.584 0.018 0.000 1.172 306 A CA 0.856 52.912 52.037 0.032 0.000 0.786 306 A CB -0.425 18.649 19.000 0.123 0.000 0.804 306 A HN 0.484 nan 8.150 nan 0.000 0.479 307 K N -1.287 119.108 120.400 -0.009 0.000 3.071 307 K HA -0.174 4.148 4.320 0.004 0.000 0.265 307 K C -0.892 175.714 176.600 0.009 0.000 1.060 307 K CA 0.331 56.614 56.287 -0.005 0.000 0.767 307 K CB -1.960 30.542 32.500 0.004 0.000 1.241 307 K HN 0.335 nan 8.250 nan 0.000 0.486 308 L N 1.603 122.841 121.223 0.026 0.000 2.490 308 L HA -0.004 4.338 4.340 0.004 0.000 0.274 308 L C 1.064 177.944 176.870 0.016 0.000 1.201 308 L CA 1.058 55.916 54.840 0.030 0.000 0.869 308 L CB 0.420 42.518 42.059 0.064 0.000 1.123 308 L HN 0.076 nan 8.230 nan 0.000 0.484 309 Q N 2.653 122.456 119.800 0.006 0.000 2.303 309 Q HA 0.128 4.471 4.340 0.004 0.000 0.257 309 Q C -0.224 175.768 176.000 -0.013 0.000 0.941 309 Q CA -0.316 55.484 55.803 -0.005 0.000 0.931 309 Q CB 1.007 29.738 28.738 -0.011 0.000 1.215 309 Q HN 0.531 nan 8.270 nan 0.000 0.437 310 D N 1.226 121.619 120.400 -0.012 0.000 2.705 310 D HA -0.172 4.470 4.640 0.004 0.000 0.240 310 D C -1.045 175.242 176.300 -0.022 0.000 1.137 310 D CA 0.224 54.213 54.000 -0.019 0.000 0.677 310 D CB -1.011 39.768 40.800 -0.035 0.000 1.049 310 D HN 0.523 nan 8.370 nan 0.000 0.427 311 C N 0.752 120.048 119.300 -0.007 0.000 2.637 311 C HA 0.465 4.927 4.460 0.004 0.000 0.418 311 C C 0.962 175.953 174.990 0.001 0.000 1.319 311 C CA 0.028 59.042 59.018 -0.007 0.000 1.949 311 C CB 0.431 28.176 27.740 0.008 0.000 2.639 311 C HN 0.436 nan 8.230 nan 0.000 0.594 312 T N 6.072 120.621 114.554 -0.008 0.000 2.812 312 T HA 0.479 4.831 4.350 0.004 0.000 0.282 312 T C -0.295 174.437 174.700 0.053 0.000 0.990 312 T CA -0.289 61.837 62.100 0.043 0.000 0.960 312 T CB 0.890 69.760 68.868 0.004 0.000 0.948 312 T HN 0.529 nan 8.240 nan 0.000 0.438 313 M N 3.140 122.813 119.600 0.122 0.000 2.537 313 M HA 0.630 5.112 4.480 0.004 0.000 0.324 313 M C -1.144 175.278 176.300 0.204 0.000 1.187 313 M CA -1.131 54.233 55.300 0.106 0.000 0.993 313 M CB 1.819 34.474 32.600 0.092 0.000 1.666 313 M HN 0.327 nan 8.290 nan 0.000 0.461 314 L N 2.732 124.032 121.223 0.128 0.000 2.404 314 L HA 0.629 4.971 4.340 0.004 0.000 0.272 314 L C -1.508 175.357 176.870 -0.008 0.000 0.980 314 L CA -0.443 54.454 54.840 0.096 0.000 0.836 314 L CB 1.771 43.927 42.059 0.160 0.000 1.238 314 L HN 0.491 nan 8.230 nan 0.000 0.408 315 V N 4.277 124.157 119.914 -0.057 0.000 2.531 315 V HA 0.584 4.707 4.120 0.004 0.000 0.301 315 V C -0.784 175.119 176.094 -0.319 0.000 1.034 315 V CA -0.626 61.622 62.300 -0.086 0.000 0.865 315 V CB 1.873 33.743 31.823 0.079 0.000 0.995 315 V HN 0.786 nan 8.190 nan 0.000 0.424 316 N N 3.716 122.167 118.700 -0.415 0.000 2.573 316 N HA 0.638 5.380 4.740 0.004 0.000 0.262 316 N C 0.580 175.907 175.510 -0.305 0.000 1.029 316 N CA 0.526 53.088 53.050 -0.813 0.000 0.882 316 N CB 1.789 39.639 38.487 -1.061 0.000 1.204 316 N HN 1.052 nan 8.380 nan 0.000 0.519 317 G N 2.530 111.310 108.800 -0.033 0.000 2.622 317 G HA2 -0.404 3.558 3.960 0.004 0.000 0.307 317 G HA3 -0.404 3.558 3.960 0.004 0.000 0.307 317 G C 0.522 175.264 174.900 -0.264 0.000 1.226 317 G CA 0.802 45.889 45.100 -0.021 0.000 0.997 317 G HN 0.647 nan 8.290 nan 0.000 0.551 318 D N 1.141 121.291 120.400 -0.418 0.000 2.349 318 D HA 0.100 4.742 4.640 0.004 0.000 0.224 318 D C 0.484 176.664 176.300 -0.200 0.000 1.029 318 D CA 0.923 54.531 54.000 -0.653 0.000 0.879 318 D CB -0.088 40.289 40.800 -0.705 0.000 0.906 318 D HN 0.410 nan 8.370 nan 0.000 0.528 319 D N 0.564 120.888 120.400 -0.126 0.000 2.280 319 D HA 0.285 4.928 4.640 0.004 0.000 0.243 319 D C -1.041 175.234 176.300 -0.042 0.000 1.129 319 D CA -0.602 53.366 54.000 -0.054 0.000 0.848 319 D CB 1.050 41.809 40.800 -0.069 0.000 1.107 319 D HN 0.044 nan 8.370 nan 0.000 0.471 320 L N 4.918 126.160 121.223 0.032 0.000 2.381 320 L HA 0.456 4.798 4.340 0.004 0.000 0.274 320 L C -1.585 175.273 176.870 -0.019 0.000 0.988 320 L CA -0.604 54.261 54.840 0.041 0.000 0.824 320 L CB 1.895 44.052 42.059 0.163 0.000 1.263 320 L HN 0.105 nan 8.230 nan 0.000 0.410 321 V N 5.124 124.986 119.914 -0.086 0.000 2.680 321 V HA 0.717 4.839 4.120 0.004 0.000 0.309 321 V C -0.633 175.291 176.094 -0.284 0.000 1.052 321 V CA -0.746 61.440 62.300 -0.189 0.000 0.908 321 V CB 1.997 33.754 31.823 -0.110 0.000 1.001 321 V HN 0.530 nan 8.190 nan 0.000 0.431 322 V N 5.232 124.794 119.914 -0.587 0.000 2.588 322 V HA 0.568 4.690 4.120 0.004 0.000 0.304 322 V C -0.534 175.330 176.094 -0.383 0.000 1.042 322 V CA -0.393 61.566 62.300 -0.569 0.000 0.877 322 V CB 1.967 33.190 31.823 -1.000 0.000 0.996 322 V HN 0.711 nan 8.190 nan 0.000 0.425 323 I N 4.963 125.437 120.570 -0.161 0.000 2.406 323 I HA 0.719 4.891 4.170 0.004 0.000 0.290 323 I C -0.033 176.037 176.117 -0.079 0.000 0.999 323 I CA -0.334 60.928 61.300 -0.064 0.000 1.124 323 I CB 1.654 39.656 38.000 0.003 0.000 1.289 323 I HN 0.881 nan 8.210 nan 0.000 0.441 324 C N 2.414 121.669 119.300 -0.074 0.000 3.335 324 C HA 0.569 5.031 4.460 0.004 0.000 0.356 324 C C -0.610 174.320 174.990 -0.100 0.000 1.570 324 C CA -0.919 58.060 59.018 -0.064 0.000 1.271 324 C CB 1.799 29.539 27.740 -0.000 0.000 1.873 324 C HN 0.625 nan 8.230 nan 0.000 0.439 325 E N 1.815 121.971 120.200 -0.073 0.000 2.290 325 E HA 0.298 4.650 4.350 0.004 0.000 0.277 325 E C 0.197 176.779 176.600 -0.031 0.000 1.035 325 E CA 0.484 56.839 56.400 -0.074 0.000 0.873 325 E CB 1.643 31.308 29.700 -0.058 0.000 1.029 325 E HN 0.711 nan 8.360 nan 0.000 0.419 326 S N 1.637 117.327 115.700 -0.017 0.000 2.579 326 S HA 0.278 4.751 4.470 0.004 0.000 0.275 326 S C 0.439 175.048 174.600 0.015 0.000 1.345 326 S CA 0.189 58.417 58.200 0.048 0.000 1.031 326 S CB 0.620 63.884 63.200 0.107 0.000 0.892 326 S HN 0.529 nan 8.310 nan 0.000 0.529 327 A N 2.570 125.406 122.820 0.026 0.000 2.606 327 A HA 0.651 4.973 4.320 0.004 0.000 0.290 327 A C 0.779 178.362 177.584 -0.003 0.000 1.174 327 A CA 0.225 52.265 52.037 0.005 0.000 0.958 327 A CB -0.770 18.233 19.000 0.005 0.000 1.194 327 A HN 1.922 nan 8.150 nan 0.000 0.526 328 G N -0.895 107.899 108.800 -0.010 0.000 2.712 328 G HA2 0.039 4.001 3.960 0.004 0.000 0.686 328 G HA3 0.039 4.001 3.960 0.004 0.000 0.686 328 G C 0.613 175.506 174.900 -0.011 0.000 1.181 328 G CA 0.149 45.225 45.100 -0.039 0.000 0.762 328 G HN 1.237 nan 8.290 nan 0.000 0.641 329 T N -1.525 112.993 114.554 -0.060 0.000 2.720 329 T HA -0.195 4.157 4.350 0.004 0.000 0.268 329 T C 2.039 176.775 174.700 0.059 0.000 1.037 329 T CA 2.281 64.392 62.100 0.018 0.000 1.144 329 T CB -0.203 68.638 68.868 -0.045 0.000 0.864 329 T HN 0.596 nan 8.240 nan 0.000 0.444 330 Q N 0.698 120.508 119.800 0.017 0.000 2.123 330 Q HA 0.030 4.372 4.340 0.004 0.000 0.199 330 Q C 2.308 178.316 176.000 0.014 0.000 0.966 330 Q CA 1.580 57.392 55.803 0.015 0.000 0.845 330 Q CB -0.425 28.314 28.738 0.002 0.000 0.907 330 Q HN 0.639 nan 8.270 nan 0.000 0.439 331 E N 1.175 121.382 120.200 0.012 0.000 2.107 331 E HA -0.124 4.228 4.350 0.004 0.000 0.191 331 E C 1.254 177.860 176.600 0.009 0.000 0.982 331 E CA 0.943 57.348 56.400 0.007 0.000 0.809 331 E CB 0.019 29.721 29.700 0.004 0.000 0.756 331 E HN 0.189 nan 8.360 nan 0.000 0.459 332 D N 0.106 120.527 120.400 0.034 0.000 2.123 332 D HA -0.168 4.474 4.640 0.004 0.000 0.196 332 D C 1.752 178.038 176.300 -0.023 0.000 0.992 332 D CA 1.587 55.602 54.000 0.025 0.000 0.833 332 D CB -0.483 40.390 40.800 0.122 0.000 0.954 332 D HN 0.306 nan 8.370 nan 0.000 0.455 333 A N 1.129 123.952 122.820 0.005 0.000 1.877 333 A HA -0.085 4.238 4.320 0.004 0.000 0.216 333 A C 2.346 179.912 177.584 -0.031 0.000 1.186 333 A CA 2.464 54.490 52.037 -0.017 0.000 0.620 333 A CB -0.831 18.175 19.000 0.009 0.000 0.822 333 A HN 0.245 nan 8.150 nan 0.000 0.443 334 A N 0.312 123.122 122.820 -0.017 0.000 1.883 334 A HA -0.136 4.186 4.320 0.004 0.000 0.217 334 A C 2.556 180.126 177.584 -0.022 0.000 1.186 334 A CA 2.620 54.648 52.037 -0.015 0.000 0.624 334 A CB -1.110 17.885 19.000 -0.007 0.000 0.822 334 A HN 1.104 nan 8.150 nan 0.000 0.444 335 S N -0.248 115.433 115.700 -0.031 0.000 2.399 335 S HA -0.077 4.395 4.470 0.004 0.000 0.231 335 S C 1.882 176.448 174.600 -0.056 0.000 1.022 335 S CA 1.447 59.627 58.200 -0.033 0.000 0.983 335 S CB -0.628 62.550 63.200 -0.037 0.000 0.803 335 S HN 0.436 nan 8.310 nan 0.000 0.480 336 L N 0.598 121.741 121.223 -0.134 0.000 2.156 336 L HA 0.065 4.407 4.340 0.004 0.000 0.208 336 L C 3.140 179.995 176.870 -0.026 0.000 1.095 336 L CA 0.954 55.669 54.840 -0.208 0.000 0.770 336 L CB -0.311 41.532 42.059 -0.360 0.000 0.914 336 L HN 0.297 nan 8.230 nan 0.000 0.439 337 R N -0.774 119.717 120.500 -0.015 0.000 2.081 337 R HA -0.131 4.211 4.340 0.004 0.000 0.235 337 R C 2.184 178.498 176.300 0.023 0.000 1.131 337 R CA 1.279 57.388 56.100 0.015 0.000 0.960 337 R CB -0.388 29.912 30.300 0.001 0.000 0.856 337 R HN 0.200 nan 8.270 nan 0.000 0.436 338 V N 0.674 120.598 119.914 0.017 0.000 2.358 338 V HA -0.240 3.882 4.120 0.004 0.000 0.246 338 V C 1.928 178.027 176.094 0.009 0.000 1.047 338 V CA 1.668 63.970 62.300 0.004 0.000 1.035 338 V CB -0.606 31.220 31.823 0.005 0.000 0.658 338 V HN 0.206 nan 8.190 nan 0.000 0.452 339 F N 1.637 121.528 119.950 -0.099 0.000 2.065 339 F HA -0.294 4.235 4.527 0.003 0.000 0.298 339 F C 2.480 178.210 175.800 -0.118 0.000 1.112 339 F CA 2.554 60.487 58.000 -0.111 0.000 1.212 339 F CB -0.624 38.292 39.000 -0.140 0.000 0.975 339 F HN 0.121 nan 8.300 nan 0.000 0.476 340 T N -0.107 114.520 114.554 0.121 0.000 2.746 340 T HA -0.208 4.145 4.350 0.004 0.000 0.267 340 T C 1.711 176.391 174.700 -0.035 0.000 1.039 340 T CA 1.751 63.922 62.100 0.118 0.000 1.142 340 T CB -0.368 68.646 68.868 0.244 0.000 0.866 340 T HN 0.399 nan 8.240 nan 0.000 0.444 341 E N 0.896 121.058 120.200 -0.063 0.000 2.077 341 E HA -0.085 4.267 4.350 0.004 0.000 0.193 341 E C 2.535 179.003 176.600 -0.221 0.000 0.989 341 E CA 1.035 57.371 56.400 -0.107 0.000 0.800 341 E CB -0.215 29.435 29.700 -0.084 0.000 0.746 341 E HN 0.488 nan 8.360 nan 0.000 0.452 342 A N 1.117 123.750 122.820 -0.312 0.000 1.877 342 A HA -0.187 4.135 4.320 0.004 0.000 0.216 342 A C 2.155 179.328 177.584 -0.685 0.000 1.186 342 A CA 1.273 52.987 52.037 -0.538 0.000 0.620 342 A CB -0.336 18.383 19.000 -0.469 0.000 0.822 342 A HN 0.122 nan 8.150 nan 0.000 0.443 343 M N -0.190 119.107 119.600 -0.504 0.000 2.149 343 M HA -0.125 4.357 4.480 0.004 0.000 0.261 343 M C 2.174 178.398 176.300 -0.128 0.000 1.064 343 M CA 2.046 57.169 55.300 -0.296 0.000 1.102 343 M CB -1.900 30.444 32.600 -0.427 0.000 1.369 343 M HN 0.462 nan 8.290 nan 0.000 0.408 344 T N 0.047 114.525 114.554 -0.126 0.000 2.777 344 T HA -0.104 4.249 4.350 0.004 0.000 0.266 344 T C 1.944 176.577 174.700 -0.111 0.000 1.040 344 T CA 1.091 63.151 62.100 -0.066 0.000 1.141 344 T CB -0.198 68.641 68.868 -0.048 0.000 0.868 344 T HN 0.385 nan 8.240 nan 0.000 0.444 345 R N 0.070 120.438 120.500 -0.220 0.000 2.127 345 R HA -0.074 4.268 4.340 0.004 0.000 0.238 345 R C 1.595 177.803 176.300 -0.153 0.000 1.134 345 R CA 1.137 57.099 56.100 -0.230 0.000 0.975 345 R CB -0.285 29.812 30.300 -0.337 0.000 0.865 345 R HN 0.443 nan 8.270 nan 0.000 0.447 346 Y N -0.072 120.161 120.300 -0.111 0.000 2.471 346 Y HA 0.125 4.677 4.550 0.003 0.000 0.286 346 Y C 0.842 176.682 175.900 -0.100 0.000 1.188 346 Y CA -0.505 57.517 58.100 -0.130 0.000 1.286 346 Y CB -0.083 38.322 38.460 -0.091 0.000 1.072 346 Y HN -0.074 nan 8.280 nan 0.000 0.517 347 S N 0.061 115.789 115.700 0.046 0.000 3.884 347 S HA -0.106 4.366 4.470 0.004 0.000 0.374 347 S C -0.008 174.602 174.600 0.018 0.000 0.971 347 S CA 0.471 58.686 58.200 0.024 0.000 1.152 347 S CB -1.392 61.812 63.200 0.007 0.000 0.877 347 S HN 0.672 nan 8.310 nan 0.000 0.491 348 A N 1.917 124.771 122.820 0.058 0.000 3.453 348 A HA 0.571 4.893 4.320 0.004 0.000 0.262 348 A C -2.363 175.345 177.584 0.206 0.000 1.026 348 A CA -0.796 51.307 52.037 0.111 0.000 0.938 348 A CB 0.881 19.988 19.000 0.177 0.000 1.246 348 A HN 0.420 nan 8.150 nan 0.000 0.546 349 P HA 0.302 nan 4.420 nan 0.000 0.272 349 P C -2.927 174.428 177.300 0.093 0.000 1.223 349 P CA -1.094 62.062 63.100 0.092 0.000 0.784 349 P CB 0.568 32.254 31.700 -0.024 0.000 0.923 350 P HA 0.125 nan 4.420 nan 0.000 0.282 350 P C 0.601 177.837 177.300 -0.106 0.000 1.249 350 P CA 0.063 63.082 63.100 -0.135 0.000 0.806 350 P CB 0.997 32.639 31.700 -0.097 0.000 0.984 351 G N 2.262 110.983 108.800 -0.132 0.000 2.620 351 G HA2 0.008 3.970 3.960 0.004 0.000 0.200 351 G HA3 0.008 3.970 3.960 0.004 0.000 0.200 351 G C -0.140 174.713 174.900 -0.078 0.000 1.710 351 G CA -0.032 45.021 45.100 -0.078 0.000 0.919 351 G HN 0.475 nan 8.290 nan 0.000 0.455 352 D N 2.421 122.776 120.400 -0.074 0.000 2.417 352 D HA 0.246 4.889 4.640 0.004 0.000 0.250 352 D C -2.152 174.108 176.300 -0.067 0.000 1.166 352 D CA -0.562 53.406 54.000 -0.054 0.000 0.881 352 D CB 1.209 41.988 40.800 -0.036 0.000 1.164 352 D HN -0.035 nan 8.370 nan 0.000 0.467 353 P HA 0.099 nan 4.420 nan 0.000 0.266 353 P C -2.317 174.990 177.300 0.013 0.000 1.195 353 P CA -0.906 62.190 63.100 -0.007 0.000 0.768 353 P CB -0.165 31.539 31.700 0.006 0.000 0.838 354 P HA 0.141 nan 4.420 nan 0.000 0.275 354 P C -0.853 176.453 177.300 0.010 0.000 1.228 354 P CA 0.035 63.191 63.100 0.093 0.000 0.786 354 P CB 0.923 32.749 31.700 0.211 0.000 0.927 355 Q N 2.447 122.264 119.800 0.028 0.000 2.356 355 Q HA 0.401 4.743 4.340 0.004 0.000 0.270 355 Q C -2.381 173.609 176.000 -0.016 0.000 1.058 355 Q CA -2.117 53.682 55.803 -0.007 0.000 0.802 355 Q CB 2.454 31.198 28.738 0.010 0.000 1.303 355 Q HN 0.391 nan 8.270 nan 0.000 0.444 356 P HA 0.102 nan 4.420 nan 0.000 0.276 356 P C -0.805 176.312 177.300 -0.306 0.000 1.230 356 P CA -0.053 62.936 63.100 -0.185 0.000 0.776 356 P CB 1.081 32.666 31.700 -0.193 0.000 0.888 357 E N 2.114 122.090 120.200 -0.372 0.000 2.238 357 E HA 0.250 4.603 4.350 0.004 0.000 0.267 357 E C -0.595 175.768 176.600 -0.395 0.000 0.887 357 E CA -0.486 55.745 56.400 -0.281 0.000 0.769 357 E CB 1.439 31.090 29.700 -0.081 0.000 1.187 357 E HN 0.431 nan 8.360 nan 0.000 0.416 358 Y N -0.117 120.322 120.300 0.231 0.000 2.682 358 Y HA 0.216 4.769 4.550 0.004 0.000 0.251 358 Y C 0.069 176.200 175.900 0.385 0.000 1.172 358 Y CA -0.480 57.823 58.100 0.338 0.000 1.186 358 Y CB 1.015 39.580 38.460 0.175 0.000 1.216 358 Y HN 0.221 nan 8.280 nan 0.000 0.540 359 D N 0.368 120.900 120.400 0.220 0.000 2.686 359 D HA 0.113 4.756 4.640 0.004 0.000 0.249 359 D C 0.468 176.504 176.300 -0.440 0.000 1.260 359 D CA -0.363 53.621 54.000 -0.027 0.000 0.910 359 D CB 1.866 42.672 40.800 0.010 0.000 1.323 359 D HN 0.129 nan 8.370 nan 0.000 0.561 360 L N 4.258 124.899 121.223 -0.969 0.000 2.127 360 L HA -0.033 4.309 4.340 0.004 0.000 0.211 360 L C 1.567 178.102 176.870 -0.559 0.000 1.089 360 L CA 1.959 56.088 54.840 -1.184 0.000 0.757 360 L CB -0.296 40.880 42.059 -1.472 0.000 0.899 360 L HN 0.515 nan 8.230 nan 0.000 0.434 361 E N -0.782 119.196 120.200 -0.371 0.000 2.338 361 E HA -0.130 4.223 4.350 0.004 0.000 0.197 361 E C 1.932 178.436 176.600 -0.159 0.000 1.007 361 E CA 0.706 56.977 56.400 -0.216 0.000 0.849 361 E CB -0.115 29.507 29.700 -0.129 0.000 0.774 361 E HN 0.536 nan 8.360 nan 0.000 0.506 362 L N 0.755 121.882 121.223 -0.160 0.000 2.592 362 L HA 0.179 4.521 4.340 0.004 0.000 0.227 362 L C 0.663 177.475 176.870 -0.097 0.000 1.127 362 L CA -0.146 54.636 54.840 -0.097 0.000 0.884 362 L CB 0.242 42.266 42.059 -0.060 0.000 1.065 362 L HN 0.036 nan 8.230 nan 0.000 0.457 363 I N 0.212 120.695 120.570 -0.145 0.000 2.352 363 I HA 0.066 4.238 4.170 0.004 0.000 0.290 363 I C 0.103 176.169 176.117 -0.086 0.000 1.036 363 I CA 0.242 61.474 61.300 -0.112 0.000 1.336 363 I CB 1.190 39.100 38.000 -0.150 0.000 1.407 363 I HN -0.082 nan 8.210 nan 0.000 0.497 364 T N 5.363 119.888 114.554 -0.048 0.000 2.758 364 T HA 0.475 4.827 4.350 0.004 0.000 0.285 364 T C -0.258 174.432 174.700 -0.017 0.000 0.981 364 T CA -0.576 61.507 62.100 -0.028 0.000 0.965 364 T CB 0.888 69.747 68.868 -0.016 0.000 0.927 364 T HN 0.749 nan 8.240 nan 0.000 0.448 365 S N 0.870 116.563 115.700 -0.011 0.000 2.541 365 S HA 0.397 4.869 4.470 0.004 0.000 0.271 365 S C 0.088 174.697 174.600 0.015 0.000 1.133 365 S CA -0.848 57.348 58.200 -0.007 0.000 0.876 365 S CB 0.609 63.790 63.200 -0.031 0.000 1.105 365 S HN 0.868 nan 8.310 nan 0.000 0.470 366 C N 2.010 121.319 119.300 0.015 0.000 3.989 366 C HA -0.163 4.300 4.460 0.004 0.000 0.297 366 C C 1.433 176.488 174.990 0.109 0.000 1.435 366 C CA 0.829 59.879 59.018 0.054 0.000 2.040 366 C CB -3.299 24.468 27.740 0.044 0.000 1.308 366 C HN 1.677 nan 8.230 nan 0.000 0.704 367 S N -1.883 113.867 115.700 0.083 0.000 3.270 367 S HA -0.198 4.274 4.470 0.004 0.000 0.293 367 S C 0.294 174.950 174.600 0.093 0.000 1.278 367 S CA 1.308 59.560 58.200 0.086 0.000 1.038 367 S CB -0.861 62.407 63.200 0.113 0.000 1.218 367 S HN 1.016 nan 8.310 nan 0.000 0.659 368 S N 1.759 117.518 115.700 0.098 0.000 2.599 368 S HA 0.756 5.229 4.470 0.004 0.000 0.287 368 S C -0.410 174.214 174.600 0.040 0.000 1.105 368 S CA -0.929 57.346 58.200 0.124 0.000 0.899 368 S CB 1.830 65.175 63.200 0.242 0.000 1.100 368 S HN 0.581 nan 8.310 nan 0.000 0.482 369 N N -0.583 118.127 118.700 0.016 0.000 2.416 369 N HA 0.444 5.186 4.740 0.004 0.000 0.276 369 N C -1.474 173.974 175.510 -0.103 0.000 1.261 369 N CA -0.595 52.421 53.050 -0.057 0.000 0.790 369 N CB 1.150 39.593 38.487 -0.073 0.000 1.554 369 N HN 0.327 nan 8.380 nan 0.000 0.481 370 V N 0.604 120.425 119.914 -0.154 0.000 2.614 370 V HA 0.371 4.493 4.120 0.004 0.000 0.291 370 V C 0.514 176.482 176.094 -0.211 0.000 1.049 370 V CA 0.127 62.309 62.300 -0.196 0.000 1.038 370 V CB 0.853 32.543 31.823 -0.221 0.000 0.980 370 V HN 0.861 nan 8.190 nan 0.000 0.481 371 S N 2.955 118.456 115.700 -0.332 0.000 2.720 371 S HA 0.781 5.253 4.470 0.004 0.000 0.287 371 S C -1.346 173.171 174.600 -0.138 0.000 1.168 371 S CA -0.448 57.604 58.200 -0.246 0.000 0.832 371 S CB 2.057 65.090 63.200 -0.279 0.000 1.166 371 S HN 0.713 nan 8.310 nan 0.000 0.493 372 V N 1.214 121.156 119.914 0.046 0.000 2.656 372 V HA 0.967 5.089 4.120 0.004 0.000 0.307 372 V C -0.220 175.896 176.094 0.037 0.000 1.051 372 V CA 0.294 62.583 62.300 -0.018 0.000 0.893 372 V CB 0.999 32.670 31.823 -0.252 0.000 0.999 372 V HN 1.285 nan 8.190 nan 0.000 0.426 373 A N 5.176 127.890 122.820 -0.176 0.000 2.548 373 A HA 0.872 5.194 4.320 0.004 0.000 0.282 373 A C -1.072 176.101 177.584 -0.685 0.000 1.288 373 A CA -0.632 51.133 52.037 -0.454 0.000 0.748 373 A CB 1.641 20.147 19.000 -0.823 0.000 1.339 373 A HN 0.936 nan 8.150 nan 0.000 0.475 374 H N 0.380 119.113 119.070 -0.562 0.000 2.637 374 H HA 0.368 4.926 4.556 0.004 0.000 0.363 374 H C -1.081 173.958 175.328 -0.481 0.000 1.131 374 H CA -0.449 55.290 56.048 -0.515 0.000 1.183 374 H CB 1.834 31.227 29.762 -0.616 0.000 1.637 374 H HN 0.898 nan 8.280 nan 0.000 0.531 375 D N 0.895 121.213 120.400 -0.136 0.000 2.447 375 D HA 0.156 4.798 4.640 0.004 0.000 0.265 375 D C 1.296 177.680 176.300 0.139 0.000 1.250 375 D CA -0.414 53.570 54.000 -0.027 0.000 1.046 375 D CB 0.397 41.176 40.800 -0.034 0.000 1.095 375 D HN 0.447 nan 8.370 nan 0.000 0.555 376 A N -0.237 122.660 122.820 0.129 0.000 1.978 376 A HA -0.160 4.163 4.320 0.004 0.000 0.220 376 A C 2.054 179.704 177.584 0.110 0.000 1.170 376 A CA 2.452 54.565 52.037 0.126 0.000 0.636 376 A CB -1.162 17.877 19.000 0.065 0.000 0.810 376 A HN 0.643 nan 8.150 nan 0.000 0.448 377 S N -2.165 113.585 115.700 0.083 0.000 2.561 377 S HA 0.346 4.818 4.470 0.004 0.000 0.225 377 S C 1.488 176.133 174.600 0.076 0.000 0.977 377 S CA 1.160 59.397 58.200 0.061 0.000 0.926 377 S CB -0.238 62.985 63.200 0.037 0.000 0.769 377 S HN 1.937 nan 8.310 nan 0.000 0.533 378 G N 1.054 109.927 108.800 0.121 0.000 2.195 378 G HA2 -0.291 3.671 3.960 0.004 0.000 0.246 378 G HA3 -0.291 3.671 3.960 0.004 0.000 0.246 378 G C 0.009 174.990 174.900 0.135 0.000 0.984 378 G CA 0.158 45.326 45.100 0.113 0.000 0.633 378 G HN 0.750 nan 8.290 nan 0.000 0.525 379 K N 1.196 121.636 120.400 0.066 0.000 2.451 379 K HA 0.332 4.655 4.320 0.004 0.000 0.280 379 K C 0.818 177.366 176.600 -0.087 0.000 1.020 379 K CA -0.415 55.878 56.287 0.010 0.000 1.008 379 K CB 0.216 32.704 32.500 -0.020 0.000 0.917 379 K HN 0.323 nan 8.250 nan 0.000 0.478 380 R N 2.246 122.637 120.500 -0.181 0.000 2.489 380 R HA 0.123 4.465 4.340 0.004 0.000 0.287 380 R C -0.696 175.358 176.300 -0.411 0.000 1.053 380 R CA -0.129 55.687 56.100 -0.474 0.000 1.036 380 R CB 1.011 31.054 30.300 -0.427 0.000 0.966 380 R HN 0.345 nan 8.270 nan 0.000 0.432 381 V N 5.195 124.825 119.914 -0.473 0.000 2.760 381 V HA 0.361 4.483 4.120 0.004 0.000 0.309 381 V C -1.446 174.460 176.094 -0.313 0.000 1.077 381 V CA -0.788 61.317 62.300 -0.325 0.000 0.910 381 V CB 1.631 33.348 31.823 -0.176 0.000 1.008 381 V HN 0.601 nan 8.190 nan 0.000 0.424 382 Y N 6.665 126.963 120.300 -0.003 0.000 2.301 382 Y HA 0.702 5.254 4.550 0.004 0.000 0.325 382 Y C 0.030 176.007 175.900 0.129 0.000 1.203 382 Y CA 0.070 58.184 58.100 0.022 0.000 1.255 382 Y CB 1.312 39.739 38.460 -0.054 0.000 1.232 382 Y HN 0.769 nan 8.280 nan 0.000 0.501 383 Y N -0.117 120.251 120.300 0.113 0.000 2.689 383 Y HA 0.675 5.227 4.550 0.003 0.000 0.333 383 Y C -2.400 173.558 175.900 0.096 0.000 1.208 383 Y CA -1.983 56.160 58.100 0.071 0.000 1.055 383 Y CB 0.677 39.150 38.460 0.023 0.000 1.304 383 Y HN 0.460 nan 8.280 nan 0.000 0.455 384 L N 1.967 123.228 121.223 0.062 0.000 2.295 384 L HA 0.784 5.126 4.340 0.004 0.000 0.285 384 L C -0.078 176.932 176.870 0.234 0.000 1.035 384 L CA 0.257 55.125 54.840 0.047 0.000 0.806 384 L CB 1.549 43.687 42.059 0.130 0.000 1.214 384 L HN 1.029 nan 8.230 nan 0.000 0.426 385 T N 4.217 118.861 114.554 0.149 0.000 2.716 385 T HA 0.867 5.219 4.350 0.004 0.000 0.286 385 T C -1.142 173.656 174.700 0.162 0.000 1.052 385 T CA -0.606 61.657 62.100 0.272 0.000 1.024 385 T CB 1.193 70.206 68.868 0.241 0.000 1.349 385 T HN 0.833 nan 8.240 nan 0.000 0.525 386 R N 0.448 120.984 120.500 0.059 0.000 2.733 386 R HA 0.468 4.810 4.340 0.004 0.000 0.272 386 R C -1.466 174.666 176.300 -0.280 0.000 1.029 386 R CA -1.000 55.032 56.100 -0.113 0.000 0.888 386 R CB 0.466 30.648 30.300 -0.197 0.000 1.251 386 R HN 0.530 nan 8.270 nan 0.000 0.464 387 D N 1.825 122.067 120.400 -0.263 0.000 2.450 387 D HA 0.053 4.695 4.640 0.004 0.000 0.247 387 D C -1.397 174.558 176.300 -0.575 0.000 1.162 387 D CA -1.298 52.501 54.000 -0.334 0.000 0.879 387 D CB 1.281 41.967 40.800 -0.191 0.000 1.163 387 D HN 0.347 nan 8.370 nan 0.000 0.472 388 P HA 0.017 nan 4.420 nan 0.000 0.253 388 P C 1.101 178.101 177.300 -0.500 0.000 1.260 388 P CA 0.101 62.570 63.100 -1.051 0.000 0.800 388 P CB 0.301 31.260 31.700 -1.234 0.000 1.162 389 T N -0.171 114.200 114.554 -0.304 0.000 2.622 389 T HA -0.134 4.219 4.350 0.004 0.000 0.266 389 T C 1.748 176.393 174.700 -0.092 0.000 1.047 389 T CA 2.396 64.410 62.100 -0.143 0.000 1.159 389 T CB -1.125 67.698 68.868 -0.074 0.000 0.863 389 T HN 0.198 nan 8.240 nan 0.000 0.422 390 T N 2.259 116.763 114.554 -0.083 0.000 2.708 390 T HA -0.048 4.304 4.350 0.004 0.000 0.266 390 T C -0.538 174.139 174.700 -0.040 0.000 1.037 390 T CA 1.175 63.258 62.100 -0.029 0.000 1.146 390 T CB -1.295 67.586 68.868 0.021 0.000 0.865 390 T HN 0.327 nan 8.240 nan 0.000 0.435 391 P HA -0.057 nan 4.420 nan 0.000 0.216 391 P C 1.498 178.841 177.300 0.071 0.000 1.154 391 P CA 1.034 64.145 63.100 0.018 0.000 0.865 391 P CB -0.204 31.465 31.700 -0.052 0.000 0.789 392 L N -1.611 119.609 121.223 -0.006 0.000 2.109 392 L HA -0.113 4.230 4.340 0.004 0.000 0.207 392 L C 2.473 179.393 176.870 0.083 0.000 1.086 392 L CA 1.337 56.202 54.840 0.041 0.000 0.760 392 L CB -1.068 40.974 42.059 -0.027 0.000 0.910 392 L HN -0.052 nan 8.230 nan 0.000 0.437 393 A N 0.296 123.154 122.820 0.064 0.000 1.902 393 A HA -0.192 4.131 4.320 0.004 0.000 0.217 393 A C 2.388 180.054 177.584 0.137 0.000 1.181 393 A CA 1.415 53.510 52.037 0.097 0.000 0.623 393 A CB -0.408 18.627 19.000 0.058 0.000 0.818 393 A HN 0.317 nan 8.150 nan 0.000 0.443 394 R N -0.595 119.961 120.500 0.094 0.000 2.092 394 R HA 0.001 4.343 4.340 0.004 0.000 0.231 394 R C 2.462 178.926 176.300 0.274 0.000 1.119 394 R CA 1.025 57.196 56.100 0.118 0.000 0.970 394 R CB -0.448 29.868 30.300 0.027 0.000 0.864 394 R HN 0.499 nan 8.270 nan 0.000 0.440 395 A N 1.473 124.479 122.820 0.311 0.000 1.940 395 A HA -0.141 4.181 4.320 0.004 0.000 0.219 395 A C 2.369 180.211 177.584 0.429 0.000 1.176 395 A CA 1.760 54.095 52.037 0.498 0.000 0.631 395 A CB -0.559 18.748 19.000 0.512 0.000 0.814 395 A HN 0.394 nan 8.150 nan 0.000 0.446 396 A N -1.466 121.515 122.820 0.269 0.000 1.898 396 A HA -0.155 4.167 4.320 0.004 0.000 0.216 396 A C 2.085 179.793 177.584 0.205 0.000 1.181 396 A CA 1.285 53.435 52.037 0.188 0.000 0.620 396 A CB -0.829 18.262 19.000 0.153 0.000 0.819 396 A HN 0.816 nan 8.150 nan 0.000 0.442 397 W N 1.068 122.425 121.300 0.096 0.000 2.335 397 W HA -0.166 4.493 4.660 -0.001 0.000 0.311 397 W C 1.682 178.261 176.519 0.100 0.000 1.213 397 W CA 2.037 59.423 57.345 0.069 0.000 1.274 397 W CB -0.326 29.156 29.460 0.037 0.000 1.148 397 W HN 0.550 nan 8.180 nan 0.000 0.498 398 E N -0.944 119.532 120.200 0.461 0.000 2.347 398 E HA -0.125 4.228 4.350 0.004 0.000 0.196 398 E C 1.922 178.726 176.600 0.341 0.000 1.008 398 E CA 1.377 58.030 56.400 0.421 0.000 0.852 398 E CB -0.166 29.841 29.700 0.512 0.000 0.783 398 E HN 0.080 nan 8.360 nan 0.000 0.505 399 T N 0.224 114.952 114.554 0.290 0.000 2.915 399 T HA -0.083 4.270 4.350 0.004 0.000 0.269 399 T C 1.706 176.402 174.700 -0.007 0.000 1.071 399 T CA 1.244 63.427 62.100 0.139 0.000 1.132 399 T CB 0.073 69.034 68.868 0.154 0.000 0.878 399 T HN 0.227 nan 8.240 nan 0.000 0.479 400 A N -0.009 122.772 122.820 -0.065 0.000 2.259 400 A HA 0.364 4.686 4.320 0.004 0.000 0.213 400 A C 0.857 178.323 177.584 -0.197 0.000 1.209 400 A CA -0.112 51.827 52.037 -0.163 0.000 0.910 400 A CB 0.593 19.450 19.000 -0.239 0.000 0.946 400 A HN 0.089 nan 8.150 nan 0.000 0.497 401 R N 0.326 120.738 120.500 -0.147 0.000 2.564 401 R HA 0.330 4.672 4.340 0.004 0.000 0.284 401 R C -1.691 174.615 176.300 0.011 0.000 1.031 401 R CA -0.507 55.548 56.100 -0.076 0.000 0.904 401 R CB 0.824 31.134 30.300 0.016 0.000 1.199 401 R HN 0.501 nan 8.270 nan 0.000 0.443 402 H N 0.906 120.056 119.070 0.133 0.000 2.886 402 H HA 0.140 4.698 4.556 0.002 0.000 0.329 402 H C 0.590 175.998 175.328 0.133 0.000 1.044 402 H CA 0.834 56.962 56.048 0.133 0.000 1.456 402 H CB 0.757 30.569 29.762 0.083 0.000 1.464 402 H HN 0.521 nan 8.280 nan 0.000 0.573 403 T N 0.316 115.017 114.554 0.245 0.000 2.924 403 T HA 0.253 4.605 4.350 0.004 0.000 0.291 403 T C -1.735 173.008 174.700 0.071 0.000 1.045 403 T CA -2.077 60.111 62.100 0.147 0.000 1.015 403 T CB 1.697 70.646 68.868 0.135 0.000 1.103 403 T HN 0.270 nan 8.240 nan 0.000 0.496 404 P HA 0.145 nan 4.420 nan 0.000 0.221 404 P C -0.215 177.075 177.300 -0.016 0.000 1.150 404 P CA 0.311 63.393 63.100 -0.030 0.000 0.800 404 P CB 0.131 31.802 31.700 -0.049 0.000 0.787 405 V N 1.209 121.111 119.914 -0.020 0.000 2.487 405 V HA 0.225 4.348 4.120 0.004 0.000 0.298 405 V C -0.233 175.827 176.094 -0.057 0.000 1.028 405 V CA -0.867 61.408 62.300 -0.042 0.000 0.860 405 V CB 1.716 33.510 31.823 -0.048 0.000 0.991 405 V HN -0.020 nan 8.190 nan 0.000 0.427 406 N N 3.100 121.720 118.700 -0.133 0.000 2.555 406 N HA 0.056 4.798 4.740 0.004 0.000 0.244 406 N C 1.421 176.709 175.510 -0.369 0.000 1.114 406 N CA 0.224 53.108 53.050 -0.276 0.000 0.963 406 N CB 1.603 39.779 38.487 -0.519 0.000 1.276 406 N HN 0.848 nan 8.380 nan 0.000 0.510 407 S N 2.175 117.781 115.700 -0.156 0.000 2.400 407 S HA -0.134 4.338 4.470 0.004 0.000 0.232 407 S C 1.817 176.385 174.600 -0.054 0.000 1.025 407 S CA 0.400 58.557 58.200 -0.070 0.000 0.993 407 S CB -0.412 62.801 63.200 0.022 0.000 0.808 407 S HN 0.795 nan 8.310 nan 0.000 0.478 408 W N 1.127 122.358 121.300 -0.116 0.000 2.402 408 W HA 0.040 4.701 4.660 0.002 0.000 0.286 408 W C 1.705 178.162 176.519 -0.103 0.000 1.221 408 W CA 0.381 57.625 57.345 -0.169 0.000 1.257 408 W CB -1.005 28.029 29.460 -0.709 0.000 1.120 408 W HN 0.355 nan 8.180 nan 0.000 0.551 409 L N 2.832 123.441 121.223 -1.024 0.000 2.044 409 L HA 0.164 4.506 4.340 0.004 0.000 0.205 409 L C 2.695 179.389 176.870 -0.293 0.000 1.075 409 L CA 2.801 57.110 54.840 -0.885 0.000 0.747 409 L CB -1.397 39.909 42.059 -1.254 0.000 0.903 409 L HN 0.043 nan 8.230 nan 0.000 0.435 410 G N -0.533 108.126 108.800 -0.236 0.000 2.440 410 G HA2 -0.323 3.639 3.960 0.004 0.000 0.218 410 G HA3 -0.323 3.639 3.960 0.004 0.000 0.218 410 G C 1.475 176.398 174.900 0.038 0.000 1.154 410 G CA 0.879 45.930 45.100 -0.081 0.000 0.767 410 G HN 0.451 nan 8.290 nan 0.000 0.552 411 N N 0.516 119.294 118.700 0.130 0.000 2.188 411 N HA -0.015 4.728 4.740 0.004 0.000 0.184 411 N C 2.247 177.907 175.510 0.250 0.000 1.018 411 N CA 0.671 53.918 53.050 0.327 0.000 0.858 411 N CB -0.171 38.592 38.487 0.460 0.000 0.989 411 N HN 0.347 nan 8.380 nan 0.000 0.426 412 I N 0.819 121.504 120.570 0.190 0.000 2.315 412 I HA -0.199 3.973 4.170 0.004 0.000 0.248 412 I C 1.987 178.170 176.117 0.110 0.000 1.117 412 I CA 0.759 62.154 61.300 0.160 0.000 1.404 412 I CB -0.086 38.083 38.000 0.280 0.000 1.071 412 I HN 0.036 nan 8.210 nan 0.000 0.419 413 I N -0.083 120.554 120.570 0.110 0.000 2.163 413 I HA -0.296 3.876 4.170 0.004 0.000 0.240 413 I C 2.454 178.683 176.117 0.186 0.000 1.081 413 I CA 1.304 62.690 61.300 0.143 0.000 1.353 413 I CB -0.207 37.874 38.000 0.135 0.000 1.054 413 I HN 0.195 nan 8.210 nan 0.000 0.407 414 M N -0.877 118.756 119.600 0.054 0.000 2.288 414 M HA -0.085 4.397 4.480 0.004 0.000 0.266 414 M C 1.019 177.164 176.300 -0.258 0.000 1.072 414 M CA 1.577 56.812 55.300 -0.107 0.000 1.132 414 M CB -0.553 31.848 32.600 -0.333 0.000 1.386 414 M HN 0.195 nan 8.290 nan 0.000 0.432 415 Y N -0.436 119.873 120.300 0.015 0.000 2.720 415 Y HA 0.458 5.010 4.550 0.003 0.000 0.277 415 Y C 1.846 177.520 175.900 -0.376 0.000 1.144 415 Y CA -0.389 57.611 58.100 -0.168 0.000 1.221 415 Y CB -0.956 37.340 38.460 -0.272 0.000 1.163 415 Y HN 0.150 nan 8.280 nan 0.000 0.537 416 A N 0.989 123.636 122.820 -0.288 0.000 1.948 416 A HA -0.172 4.150 4.320 0.004 0.000 0.220 416 A C -0.338 176.993 177.584 -0.421 0.000 1.177 416 A CA 1.703 53.529 52.037 -0.351 0.000 0.636 416 A CB -1.396 17.387 19.000 -0.361 0.000 0.815 416 A HN 0.277 nan 8.150 nan 0.000 0.449 417 P HA 0.009 nan 4.420 nan 0.000 0.233 417 P C 0.676 177.773 177.300 -0.339 0.000 1.167 417 P CA 1.263 64.124 63.100 -0.398 0.000 0.770 417 P CB -0.500 30.983 31.700 -0.362 0.000 0.837 418 T N -2.611 111.736 114.554 -0.345 0.000 2.898 418 T HA 0.110 4.462 4.350 0.004 0.000 0.301 418 T C 1.140 175.469 174.700 -0.619 0.000 1.049 418 T CA -0.654 61.198 62.100 -0.414 0.000 1.095 418 T CB 0.573 68.966 68.868 -0.791 0.000 0.976 418 T HN -0.194 nan 8.240 nan 0.000 0.539 419 L N 2.082 122.820 121.223 -0.808 0.000 2.012 419 L HA -0.009 4.334 4.340 0.004 0.000 0.210 419 L C 2.424 178.993 176.870 -0.503 0.000 1.073 419 L CA 1.808 56.130 54.840 -0.863 0.000 0.748 419 L CB -0.998 40.458 42.059 -1.005 0.000 0.891 419 L HN 0.935 nan 8.230 nan 0.000 0.431 420 W N -0.813 120.285 121.300 -0.337 0.000 2.418 420 W HA 0.039 4.701 4.660 0.003 0.000 0.292 420 W C 2.003 178.400 176.519 -0.202 0.000 1.213 420 W CA 0.828 58.016 57.345 -0.261 0.000 1.283 420 W CB -1.403 27.934 29.460 -0.205 0.000 1.119 420 W HN 0.312 nan 8.180 nan 0.000 0.542 421 A N 1.858 124.223 122.820 -0.759 0.000 1.930 421 A HA -0.127 4.195 4.320 0.004 0.000 0.217 421 A C 2.243 179.692 177.584 -0.224 0.000 1.175 421 A CA 1.726 53.481 52.037 -0.470 0.000 0.627 421 A CB -0.721 17.859 19.000 -0.701 0.000 0.815 421 A HN 0.326 nan 8.150 nan 0.000 0.443 422 R N -1.076 119.218 120.500 -0.343 0.000 2.062 422 R HA 0.091 4.434 4.340 0.004 0.000 0.229 422 R C 2.208 178.382 176.300 -0.210 0.000 1.128 422 R CA 1.607 57.535 56.100 -0.287 0.000 0.960 422 R CB -0.313 29.673 30.300 -0.523 0.000 0.855 422 R HN 0.497 nan 8.270 nan 0.000 0.432 423 M N -0.333 119.027 119.600 -0.400 0.000 2.334 423 M HA 0.010 4.492 4.480 0.004 0.000 0.266 423 M C 1.774 178.026 176.300 -0.080 0.000 1.082 423 M CA 1.416 56.565 55.300 -0.252 0.000 1.141 423 M CB 0.170 32.549 32.600 -0.369 0.000 1.380 423 M HN 0.116 nan 8.290 nan 0.000 0.440 424 I N -0.768 119.606 120.570 -0.327 0.000 3.196 424 I HA -0.082 4.090 4.170 0.004 0.000 0.248 424 I C 2.055 178.008 176.117 -0.274 0.000 1.105 424 I CA 0.276 61.103 61.300 -0.788 0.000 1.482 424 I CB -0.220 37.268 38.000 -0.854 0.000 1.400 424 I HN 0.096 nan 8.210 nan 0.000 0.464 425 L N 0.291 121.534 121.223 0.035 0.000 2.017 425 L HA -0.222 4.120 4.340 0.004 0.000 0.208 425 L C 2.686 179.837 176.870 0.469 0.000 1.073 425 L CA 1.710 56.755 54.840 0.341 0.000 0.745 425 L CB -0.483 41.826 42.059 0.416 0.000 0.894 425 L HN 0.294 nan 8.230 nan 0.000 0.432 426 M N -0.880 118.968 119.600 0.414 0.000 2.067 426 M HA -0.190 4.292 4.480 0.004 0.000 0.260 426 M C 2.351 179.122 176.300 0.785 0.000 1.069 426 M CA 2.123 57.776 55.300 0.589 0.000 1.117 426 M CB -0.681 32.093 32.600 0.289 0.000 1.334 426 M HN 0.258 nan 8.290 nan 0.000 0.407 427 T N -1.250 113.737 114.554 0.721 0.000 2.652 427 T HA -0.242 4.110 4.350 0.004 0.000 0.267 427 T C 1.670 176.651 174.700 0.469 0.000 1.039 427 T CA 2.020 64.511 62.100 0.652 0.000 1.153 427 T CB -0.569 68.723 68.868 0.706 0.000 0.863 427 T HN 0.462 nan 8.240 nan 0.000 0.428 428 H N 0.247 119.473 119.070 0.260 0.000 2.299 428 H HA 0.023 4.581 4.556 0.003 0.000 0.302 428 H C 1.784 176.986 175.328 -0.211 0.000 1.078 428 H CA 1.515 57.587 56.048 0.039 0.000 1.323 428 H CB -0.478 29.164 29.762 -0.201 0.000 1.381 428 H HN 0.350 nan 8.280 nan 0.000 0.498 429 F N -1.130 118.769 119.950 -0.085 0.000 2.293 429 F HA 0.006 4.535 4.527 0.003 0.000 0.297 429 F C 1.918 177.523 175.800 -0.325 0.000 1.089 429 F CA 0.508 58.206 58.000 -0.502 0.000 1.377 429 F CB -0.474 37.825 39.000 -1.167 0.000 1.051 429 F HN 0.138 nan 8.300 nan 0.000 0.511 430 F N -0.580 119.441 119.950 0.120 0.000 2.234 430 F HA -0.190 4.340 4.527 0.005 0.000 0.299 430 F C 2.733 178.550 175.800 0.028 0.000 1.087 430 F CA 1.476 59.563 58.000 0.146 0.000 1.340 430 F CB -0.951 38.234 39.000 0.309 0.000 1.031 430 F HN -0.105 nan 8.300 nan 0.000 0.500 431 S N 0.431 116.199 115.700 0.112 0.000 2.356 431 S HA -0.188 4.284 4.470 0.004 0.000 0.223 431 S C 2.157 176.709 174.600 -0.080 0.000 1.032 431 S CA 1.489 59.685 58.200 -0.007 0.000 1.005 431 S CB -0.466 62.714 63.200 -0.032 0.000 0.867 431 S HN 0.317 nan 8.310 nan 0.000 0.449 432 I N 1.154 121.606 120.570 -0.197 0.000 2.179 432 I HA -0.194 3.978 4.170 0.004 0.000 0.242 432 I C 2.228 178.296 176.117 -0.081 0.000 1.088 432 I CA 1.225 62.410 61.300 -0.193 0.000 1.357 432 I CB -0.360 37.451 38.000 -0.315 0.000 1.051 432 I HN 0.311 nan 8.210 nan 0.000 0.409 433 L N -0.028 121.153 121.223 -0.069 0.000 2.093 433 L HA -0.214 4.129 4.340 0.004 0.000 0.208 433 L C 2.537 179.419 176.870 0.020 0.000 1.085 433 L CA 1.103 55.932 54.840 -0.018 0.000 0.755 433 L CB -0.494 41.524 42.059 -0.069 0.000 0.904 433 L HN 0.261 nan 8.230 nan 0.000 0.435 434 L N -0.177 121.068 121.223 0.038 0.000 1.990 434 L HA -0.264 4.078 4.340 0.004 0.000 0.213 434 L C 2.878 179.762 176.870 0.023 0.000 1.072 434 L CA 1.504 56.375 54.840 0.051 0.000 0.755 434 L CB -0.627 41.465 42.059 0.055 0.000 0.889 434 L HN 0.266 nan 8.230 nan 0.000 0.432 435 A N -1.078 121.743 122.820 0.001 0.000 1.940 435 A HA -0.206 4.116 4.320 0.004 0.000 0.219 435 A C 1.999 179.587 177.584 0.007 0.000 1.176 435 A CA 1.415 53.449 52.037 -0.005 0.000 0.631 435 A CB -0.269 18.717 19.000 -0.024 0.000 0.814 435 A HN 0.475 nan 8.150 nan 0.000 0.446 436 Q N -0.517 119.292 119.800 0.015 0.000 2.280 436 Q HA 0.099 4.441 4.340 0.004 0.000 0.201 436 Q C -0.478 175.544 176.000 0.035 0.000 0.890 436 Q CA 0.175 55.995 55.803 0.029 0.000 0.947 436 Q CB -0.078 28.687 28.738 0.045 0.000 1.081 436 Q HN 0.764 nan 8.270 nan 0.000 0.502 437 E N 1.037 121.258 120.200 0.035 0.000 2.165 437 E HA -0.262 4.091 4.350 0.004 0.000 0.203 437 E C -0.115 176.514 176.600 0.048 0.000 1.335 437 E CA 0.260 56.685 56.400 0.042 0.000 0.708 437 E CB -0.816 28.905 29.700 0.036 0.000 1.105 437 E HN 0.475 nan 8.360 nan 0.000 0.346 438 Q N -0.299 119.533 119.800 0.054 0.000 2.188 438 Q HA 0.063 4.406 4.340 0.004 0.000 0.212 438 Q C 1.394 177.434 176.000 0.067 0.000 0.846 438 Q CA -0.469 55.371 55.803 0.063 0.000 0.989 438 Q CB 0.385 29.169 28.738 0.077 0.000 1.114 438 Q HN 0.237 nan 8.270 nan 0.000 0.488 439 L N 1.874 123.137 121.223 0.067 0.000 2.051 439 L HA -0.252 4.090 4.340 0.004 0.000 0.214 439 L C 2.404 179.326 176.870 0.087 0.000 1.076 439 L CA 1.988 56.877 54.840 0.081 0.000 0.758 439 L CB -0.575 41.556 42.059 0.120 0.000 0.890 439 L HN 0.414 nan 8.230 nan 0.000 0.433 440 E N -0.425 119.821 120.200 0.077 0.000 2.479 440 E HA -0.085 4.268 4.350 0.004 0.000 0.193 440 E C 0.788 177.427 176.600 0.065 0.000 1.049 440 E CA -0.096 56.346 56.400 0.071 0.000 0.870 440 E CB -0.179 29.557 29.700 0.060 0.000 0.944 440 E HN 0.330 nan 8.360 nan 0.000 0.492 441 K N 1.710 122.151 120.400 0.067 0.000 2.383 441 K HA 0.303 4.625 4.320 0.004 0.000 0.286 441 K C -0.409 176.236 176.600 0.074 0.000 1.051 441 K CA -0.024 56.303 56.287 0.066 0.000 0.974 441 K CB 0.698 33.237 32.500 0.064 0.000 0.968 441 K HN 0.094 nan 8.250 nan 0.000 0.475 442 A N 5.278 128.142 122.820 0.072 0.000 2.462 442 A HA 0.334 4.656 4.320 0.004 0.000 0.243 442 A C -0.436 177.196 177.584 0.079 0.000 1.076 442 A CA -0.214 51.871 52.037 0.080 0.000 0.773 442 A CB 0.186 19.242 19.000 0.093 0.000 1.010 442 A HN 0.761 nan 8.150 nan 0.000 0.493 443 L N 1.658 122.919 121.223 0.063 0.000 2.370 443 L HA 0.404 4.746 4.340 0.004 0.000 0.266 443 L C -0.935 175.949 176.870 0.024 0.000 1.002 443 L CA -1.069 53.793 54.840 0.037 0.000 0.818 443 L CB 2.144 44.199 42.059 -0.007 0.000 1.325 443 L HN 0.574 nan 8.230 nan 0.000 0.418 444 D N 1.181 121.596 120.400 0.025 0.000 2.210 444 D HA 0.463 5.105 4.640 0.004 0.000 0.249 444 D C -0.456 175.815 176.300 -0.047 0.000 1.078 444 D CA -0.057 53.967 54.000 0.039 0.000 0.875 444 D CB 1.582 42.427 40.800 0.075 0.000 1.175 444 D HN 0.589 nan 8.370 nan 0.000 0.440 445 C N 0.615 119.895 119.300 -0.033 0.000 3.213 445 C HA 0.714 5.176 4.460 0.004 0.000 0.319 445 C C -1.025 173.956 174.990 -0.015 0.000 1.386 445 C CA -0.799 58.169 59.018 -0.083 0.000 1.494 445 C CB 1.559 29.201 27.740 -0.162 0.000 1.905 445 C HN 0.504 nan 8.230 nan 0.000 0.456 446 Q N 0.726 120.508 119.800 -0.030 0.000 2.310 446 Q HA 0.701 5.043 4.340 0.004 0.000 0.270 446 Q C -1.465 174.531 176.000 -0.007 0.000 1.025 446 Q CA -0.220 55.586 55.803 0.005 0.000 0.772 446 Q CB 2.239 30.976 28.738 -0.001 0.000 1.253 446 Q HN 0.741 nan 8.270 nan 0.000 0.450 447 I N 2.732 123.306 120.570 0.006 0.000 2.447 447 I HA 0.219 4.391 4.170 0.004 0.000 0.287 447 I C -0.894 175.257 176.117 0.057 0.000 1.023 447 I CA -0.789 60.449 61.300 -0.104 0.000 1.083 447 I CB 1.173 38.900 38.000 -0.455 0.000 1.245 447 I HN 0.628 nan 8.210 nan 0.000 0.434 448 Y N 5.282 125.626 120.300 0.073 0.000 3.225 448 Y HA -0.257 4.295 4.550 0.003 0.000 0.211 448 Y C 1.486 177.333 175.900 -0.089 0.000 1.223 448 Y CA 1.036 59.135 58.100 -0.002 0.000 1.284 448 Y CB -2.029 36.431 38.460 -0.001 0.000 1.367 448 Y HN 0.991 nan 8.280 nan 0.000 0.566 449 G N -2.131 106.743 108.800 0.124 0.000 2.304 449 G HA2 -0.075 3.887 3.960 0.004 0.000 0.252 449 G HA3 -0.075 3.887 3.960 0.004 0.000 0.252 449 G C 0.525 175.452 174.900 0.046 0.000 1.014 449 G CA 0.243 45.382 45.100 0.066 0.000 0.619 449 G HN 1.586 nan 8.290 nan 0.000 0.525 450 A N -0.429 122.420 122.820 0.049 0.000 2.316 450 A HA 0.626 4.949 4.320 0.004 0.000 0.284 450 A C 0.685 178.115 177.584 -0.256 0.000 1.115 450 A CA 0.494 52.438 52.037 -0.154 0.000 0.812 450 A CB 0.881 19.721 19.000 -0.267 0.000 1.064 450 A HN 1.525 nan 8.150 nan 0.000 0.489 451 C N 2.402 121.487 119.300 -0.359 0.000 2.388 451 C HA 0.757 5.219 4.460 0.004 0.000 0.362 451 C C -1.029 173.611 174.990 -0.583 0.000 1.266 451 C CA -0.438 58.429 59.018 -0.252 0.000 2.028 451 C CB -1.179 26.545 27.740 -0.026 0.000 2.440 451 C HN 0.651 nan 8.230 nan 0.000 0.547 452 Y N 2.817 123.003 120.300 -0.190 0.000 2.462 452 Y HA 0.458 5.011 4.550 0.004 0.000 0.346 452 Y C 0.344 176.237 175.900 -0.011 0.000 0.976 452 Y CA -0.383 57.627 58.100 -0.151 0.000 1.044 452 Y CB 1.831 40.131 38.460 -0.267 0.000 1.230 452 Y HN 0.598 nan 8.280 nan 0.000 0.455 453 S N 4.228 120.089 115.700 0.267 0.000 2.422 453 S HA 0.725 5.198 4.470 0.004 0.000 0.308 453 S C -0.975 173.729 174.600 0.173 0.000 1.097 453 S CA -0.325 58.025 58.200 0.250 0.000 1.099 453 S CB -0.317 63.100 63.200 0.362 0.000 0.976 453 S HN 0.551 nan 8.310 nan 0.000 0.471 454 I N 3.833 124.473 120.570 0.117 0.000 2.533 454 I HA 0.334 4.506 4.170 0.004 0.000 0.290 454 I C -0.343 175.814 176.117 0.067 0.000 1.056 454 I CA -0.689 60.667 61.300 0.092 0.000 1.057 454 I CB 2.329 40.381 38.000 0.087 0.000 1.240 454 I HN 0.574 nan 8.210 nan 0.000 0.423 455 E N 7.052 127.294 120.200 0.070 0.000 2.223 455 E HA 0.161 4.513 4.350 0.004 0.000 0.282 455 E C -1.748 174.908 176.600 0.093 0.000 1.046 455 E CA -1.533 54.912 56.400 0.075 0.000 0.857 455 E CB 1.102 30.843 29.700 0.068 0.000 1.055 455 E HN 0.320 nan 8.360 nan 0.000 0.409 456 P HA -0.212 nan 4.420 nan 0.000 0.217 456 P C 0.918 178.369 177.300 0.252 0.000 1.148 456 P CA 1.166 64.351 63.100 0.141 0.000 0.834 456 P CB 0.208 31.933 31.700 0.042 0.000 0.783 457 L N -0.974 120.372 121.223 0.204 0.000 2.362 457 L HA -0.129 4.214 4.340 0.004 0.000 0.219 457 L C 1.301 178.263 176.870 0.154 0.000 1.134 457 L CA 1.138 56.109 54.840 0.219 0.000 0.807 457 L CB -0.654 41.495 42.059 0.150 0.000 0.927 457 L HN -0.033 nan 8.230 nan 0.000 0.447 458 D N -0.459 120.012 120.400 0.119 0.000 2.340 458 D HA 0.012 4.655 4.640 0.004 0.000 0.220 458 D C 2.208 178.551 176.300 0.071 0.000 1.039 458 D CA 0.324 54.361 54.000 0.061 0.000 0.866 458 D CB 0.306 41.123 40.800 0.029 0.000 0.913 458 D HN 0.284 nan 8.370 nan 0.000 0.523 459 L N 0.964 122.280 121.223 0.155 0.000 2.042 459 L HA -0.139 4.204 4.340 0.004 0.000 0.210 459 L C -0.468 176.489 176.870 0.145 0.000 1.076 459 L CA 1.442 56.389 54.840 0.178 0.000 0.749 459 L CB -1.390 40.860 42.059 0.318 0.000 0.893 459 L HN 0.038 nan 8.230 nan 0.000 0.432 460 P HA -0.212 nan 4.420 nan 0.000 0.215 460 P C 1.363 178.698 177.300 0.059 0.000 1.157 460 P CA 1.383 64.505 63.100 0.037 0.000 0.874 460 P CB 0.043 31.599 31.700 -0.240 0.000 0.790 461 Q N -0.976 118.800 119.800 -0.040 0.000 2.079 461 Q HA -0.074 4.269 4.340 0.004 0.000 0.200 461 Q C 2.208 178.172 176.000 -0.060 0.000 0.974 461 Q CA 1.196 56.959 55.803 -0.066 0.000 0.840 461 Q CB -0.829 27.853 28.738 -0.093 0.000 0.898 461 Q HN 0.253 nan 8.270 nan 0.000 0.430 462 I N 0.063 120.594 120.570 -0.066 0.000 2.179 462 I HA -0.276 3.896 4.170 0.004 0.000 0.242 462 I C 1.985 178.065 176.117 -0.061 0.000 1.088 462 I CA 1.166 62.379 61.300 -0.145 0.000 1.357 462 I CB -0.254 37.663 38.000 -0.140 0.000 1.051 462 I HN 0.187 nan 8.210 nan 0.000 0.409 463 I N 0.484 121.096 120.570 0.071 0.000 2.226 463 I HA -0.302 3.870 4.170 0.004 0.000 0.245 463 I C 2.646 178.789 176.117 0.043 0.000 1.100 463 I CA 1.485 62.861 61.300 0.126 0.000 1.374 463 I CB -0.413 37.681 38.000 0.157 0.000 1.057 463 I HN 0.293 nan 8.210 nan 0.000 0.413 464 E N 1.112 121.368 120.200 0.094 0.000 2.058 464 E HA -0.326 4.026 4.350 0.004 0.000 0.194 464 E C 2.310 178.902 176.600 -0.014 0.000 0.997 464 E CA 1.536 57.974 56.400 0.063 0.000 0.801 464 E CB 0.007 29.784 29.700 0.128 0.000 0.746 464 E HN 0.179 nan 8.360 nan 0.000 0.450 465 R N 0.355 120.821 120.500 -0.058 0.000 2.092 465 R HA -0.041 4.301 4.340 0.004 0.000 0.231 465 R C 2.301 178.532 176.300 -0.115 0.000 1.119 465 R CA 1.260 57.300 56.100 -0.100 0.000 0.970 465 R CB -0.291 29.909 30.300 -0.167 0.000 0.864 465 R HN 0.273 nan 8.270 nan 0.000 0.440 466 L N -1.358 119.774 121.223 -0.152 0.000 2.162 466 L HA -0.047 4.295 4.340 0.004 0.000 0.205 466 L C 1.731 178.373 176.870 -0.379 0.000 1.086 466 L CA 1.019 55.707 54.840 -0.254 0.000 0.778 466 L CB -0.342 41.515 42.059 -0.336 0.000 0.928 466 L HN 0.373 nan 8.230 nan 0.000 0.446 467 H N -1.036 117.978 119.070 -0.093 0.000 3.017 467 H HA 0.286 4.844 4.556 0.003 0.000 0.255 467 H C 0.929 176.182 175.328 -0.126 0.000 0.990 467 H CA 0.803 56.780 56.048 -0.119 0.000 1.205 467 H CB 1.179 30.837 29.762 -0.173 0.000 1.460 467 H HN 0.278 nan 8.280 nan 0.000 0.478 468 G N 1.000 109.790 108.800 -0.016 0.000 2.746 468 G HA2 -0.222 3.740 3.960 0.004 0.000 0.685 468 G HA3 -0.222 3.740 3.960 0.004 0.000 0.685 468 G C 0.673 175.522 174.900 -0.086 0.000 1.350 468 G CA -0.153 44.931 45.100 -0.027 0.000 0.837 468 G HN 0.207 nan 8.290 nan 0.000 0.564 469 L N 0.987 122.218 121.223 0.013 0.000 2.265 469 L HA -0.092 4.250 4.340 0.004 0.000 0.215 469 L C 3.148 180.021 176.870 0.004 0.000 1.117 469 L CA 2.005 56.909 54.840 0.106 0.000 0.782 469 L CB -0.559 41.638 42.059 0.229 0.000 0.914 469 L HN 0.885 nan 8.230 nan 0.000 0.441 470 S N 0.135 115.806 115.700 -0.049 0.000 2.442 470 S HA -0.162 4.310 4.470 0.004 0.000 0.236 470 S C 2.153 176.655 174.600 -0.164 0.000 1.007 470 S CA 0.773 58.934 58.200 -0.066 0.000 0.965 470 S CB -0.355 62.809 63.200 -0.061 0.000 0.773 470 S HN 0.377 nan 8.310 nan 0.000 0.504 471 A N 0.915 123.541 122.820 -0.323 0.000 2.076 471 A HA 0.097 4.420 4.320 0.004 0.000 0.220 471 A C 1.484 178.825 177.584 -0.405 0.000 1.160 471 A CA 1.129 52.887 52.037 -0.465 0.000 0.653 471 A CB -0.859 17.751 19.000 -0.649 0.000 0.801 471 A HN 0.609 nan 8.150 nan 0.000 0.455 472 F N -0.665 119.294 119.950 0.015 0.000 2.765 472 F HA 0.212 4.741 4.527 0.003 0.000 0.302 472 F C 1.612 177.449 175.800 0.062 0.000 1.111 472 F CA 0.493 58.525 58.000 0.053 0.000 1.359 472 F CB 0.122 39.176 39.000 0.091 0.000 1.097 472 F HN 0.082 nan 8.300 nan 0.000 0.577 473 S N -0.785 114.998 115.700 0.138 0.000 2.687 473 S HA 0.294 4.766 4.470 0.004 0.000 0.247 473 S C 0.466 175.124 174.600 0.097 0.000 1.050 473 S CA -0.317 57.958 58.200 0.124 0.000 1.063 473 S CB 0.409 63.670 63.200 0.103 0.000 1.039 473 S HN 0.011 nan 8.310 nan 0.000 0.580 474 L N 3.580 124.782 121.223 -0.035 0.000 2.485 474 L HA 0.261 4.603 4.340 0.004 0.000 0.275 474 L C 0.499 177.281 176.870 -0.146 0.000 1.207 474 L CA 0.504 55.215 54.840 -0.214 0.000 0.855 474 L CB -0.004 41.777 42.059 -0.463 0.000 1.114 474 L HN 0.554 nan 8.230 nan 0.000 0.485 475 H N -1.587 117.257 119.070 -0.378 0.000 2.918 475 H HA 0.337 4.895 4.556 0.004 0.000 0.303 475 H C -0.273 174.905 175.328 -0.250 0.000 1.380 475 H CA -0.766 55.138 56.048 -0.241 0.000 1.134 475 H CB 0.992 30.732 29.762 -0.038 0.000 1.842 475 H HN 0.375 nan 8.280 nan 0.000 0.533 476 S N -0.235 115.442 115.700 -0.039 0.000 3.608 476 S HA -0.232 4.240 4.470 0.004 0.000 0.382 476 S C -0.629 173.976 174.600 0.009 0.000 0.945 476 S CA 0.505 58.704 58.200 -0.001 0.000 1.256 476 S CB -2.310 60.804 63.200 -0.143 0.000 0.913 476 S HN 0.501 nan 8.310 nan 0.000 0.518 477 Y N 1.704 122.033 120.300 0.049 0.000 2.385 477 Y HA 0.268 4.820 4.550 0.004 0.000 0.346 477 Y C 1.434 177.384 175.900 0.082 0.000 1.270 477 Y CA 0.408 58.543 58.100 0.059 0.000 1.472 477 Y CB 0.340 38.830 38.460 0.049 0.000 1.354 477 Y HN 0.526 nan 8.280 nan 0.000 0.611 478 S N 1.197 117.052 115.700 0.258 0.000 2.579 478 S HA 0.099 4.571 4.470 0.004 0.000 0.275 478 S C -2.021 172.663 174.600 0.140 0.000 1.345 478 S CA -1.073 57.222 58.200 0.158 0.000 1.031 478 S CB 1.121 64.394 63.200 0.122 0.000 0.892 478 S HN 0.439 nan 8.310 nan 0.000 0.529 479 P HA 0.035 nan 4.420 nan 0.000 0.217 479 P C 1.719 179.059 177.300 0.067 0.000 1.150 479 P CA 1.480 64.628 63.100 0.080 0.000 0.832 479 P CB -0.420 31.317 31.700 0.062 0.000 0.787 480 G N 0.067 108.904 108.800 0.061 0.000 2.418 480 G HA2 -0.284 3.678 3.960 0.004 0.000 0.217 480 G HA3 -0.284 3.678 3.960 0.004 0.000 0.217 480 G C 1.675 176.604 174.900 0.049 0.000 1.158 480 G CA 0.884 46.011 45.100 0.045 0.000 0.771 480 G HN 0.257 nan 8.290 nan 0.000 0.545 481 E N 0.584 120.832 120.200 0.079 0.000 2.072 481 E HA -0.017 4.336 4.350 0.004 0.000 0.191 481 E C 2.431 179.071 176.600 0.066 0.000 0.985 481 E CA 0.696 57.151 56.400 0.092 0.000 0.801 481 E CB -0.365 29.442 29.700 0.178 0.000 0.750 481 E HN 0.495 nan 8.360 nan 0.000 0.452 482 I N 0.830 121.445 120.570 0.074 0.000 2.226 482 I HA -0.258 3.914 4.170 0.004 0.000 0.245 482 I C 1.872 178.010 176.117 0.035 0.000 1.100 482 I CA 0.957 62.286 61.300 0.048 0.000 1.374 482 I CB -0.367 37.677 38.000 0.072 0.000 1.057 482 I HN 0.133 nan 8.210 nan 0.000 0.413 483 N N 0.735 119.457 118.700 0.037 0.000 2.142 483 N HA -0.188 4.554 4.740 0.004 0.000 0.186 483 N C 1.895 177.411 175.510 0.010 0.000 1.023 483 N CA 1.106 54.171 53.050 0.026 0.000 0.852 483 N CB -0.418 38.086 38.487 0.027 0.000 0.998 483 N HN 0.324 nan 8.380 nan 0.000 0.424 484 R N 0.910 121.411 120.500 0.002 0.000 2.081 484 R HA -0.049 4.293 4.340 0.004 0.000 0.235 484 R C 1.858 178.130 176.300 -0.046 0.000 1.131 484 R CA 1.043 57.129 56.100 -0.024 0.000 0.960 484 R CB -0.205 30.074 30.300 -0.035 0.000 0.856 484 R HN -0.040 nan 8.270 nan 0.000 0.436 485 V N 1.130 121.022 119.914 -0.036 0.000 2.261 485 V HA -0.248 3.875 4.120 0.004 0.000 0.246 485 V C 2.524 178.604 176.094 -0.023 0.000 1.047 485 V CA 2.014 64.285 62.300 -0.049 0.000 1.015 485 V CB -0.902 30.918 31.823 -0.005 0.000 0.642 485 V HN 0.586 nan 8.190 nan 0.000 0.446 486 A N 0.485 123.308 122.820 0.005 0.000 1.917 486 A HA -0.273 4.049 4.320 0.004 0.000 0.219 486 A C 2.592 180.185 177.584 0.016 0.000 1.182 486 A CA 2.701 54.752 52.037 0.023 0.000 0.633 486 A CB -0.899 18.120 19.000 0.032 0.000 0.819 486 A HN 0.686 nan 8.150 nan 0.000 0.448 487 S N -1.174 114.530 115.700 0.006 0.000 2.402 487 S HA -0.173 4.299 4.470 0.004 0.000 0.229 487 S C 1.937 176.538 174.600 0.002 0.000 1.021 487 S CA 1.489 59.694 58.200 0.008 0.000 0.974 487 S CB -1.128 62.075 63.200 0.004 0.000 0.800 487 S HN 0.578 nan 8.310 nan 0.000 0.484 488 C N 1.369 120.656 119.300 -0.022 0.000 2.440 488 C HA 0.180 4.642 4.460 0.004 0.000 0.278 488 C C 2.668 177.649 174.990 -0.014 0.000 1.295 488 C CA 0.492 59.489 59.018 -0.035 0.000 1.738 488 C CB -1.561 26.121 27.740 -0.097 0.000 1.987 488 C HN 0.611 nan 8.230 nan 0.000 0.492 489 L N 0.323 121.543 121.223 -0.004 0.000 2.017 489 L HA -0.158 4.185 4.340 0.004 0.000 0.208 489 L C 2.865 179.742 176.870 0.011 0.000 1.073 489 L CA 1.577 56.429 54.840 0.019 0.000 0.745 489 L CB -0.818 41.277 42.059 0.061 0.000 0.894 489 L HN 0.351 nan 8.230 nan 0.000 0.432 490 R N 0.391 120.907 120.500 0.025 0.000 2.091 490 R HA -0.209 4.134 4.340 0.004 0.000 0.238 490 R C 2.368 178.718 176.300 0.084 0.000 1.136 490 R CA 1.579 57.703 56.100 0.040 0.000 0.959 490 R CB -0.320 30.009 30.300 0.047 0.000 0.856 490 R HN 0.298 nan 8.270 nan 0.000 0.437 491 K N 0.540 120.989 120.400 0.081 0.000 2.063 491 K HA -0.155 4.167 4.320 0.004 0.000 0.208 491 K C 1.425 178.161 176.600 0.226 0.000 1.048 491 K CA 1.271 57.635 56.287 0.129 0.000 0.928 491 K CB 0.099 32.642 32.500 0.071 0.000 0.713 491 K HN 0.017 nan 8.250 nan 0.000 0.442 492 L N -0.021 121.258 121.223 0.094 0.000 2.567 492 L HA 0.226 4.568 4.340 0.004 0.000 0.225 492 L C 0.939 177.658 176.870 -0.251 0.000 1.119 492 L CA 1.235 56.109 54.840 0.055 0.000 0.871 492 L CB 0.116 42.194 42.059 0.032 0.000 1.036 492 L HN 0.493 nan 8.230 nan 0.000 0.459 493 G N 0.137 108.643 108.800 -0.491 0.000 2.225 493 G HA2 -0.215 3.747 3.960 0.004 0.000 0.264 493 G HA3 -0.215 3.747 3.960 0.004 0.000 0.264 493 G C 0.083 174.823 174.900 -0.267 0.000 1.060 493 G CA 0.245 44.910 45.100 -0.727 0.000 0.833 493 G HN 0.112 nan 8.290 nan 0.000 0.498 494 V N 0.865 120.722 119.914 -0.094 0.000 2.509 494 V HA 0.445 4.568 4.120 0.004 0.000 0.284 494 V C -1.263 174.895 176.094 0.107 0.000 1.047 494 V CA -1.636 60.700 62.300 0.061 0.000 0.952 494 V CB 1.584 33.478 31.823 0.118 0.000 0.988 494 V HN 0.185 nan 8.190 nan 0.000 0.469 495 P HA 0.126 nan 4.420 nan 0.000 0.267 495 P C -2.475 174.922 177.300 0.162 0.000 1.200 495 P CA -0.721 62.393 63.100 0.022 0.000 0.772 495 P CB -0.204 31.345 31.700 -0.252 0.000 0.855 496 P HA 0.084 nan 4.420 nan 0.000 0.272 496 P C 0.895 178.348 177.300 0.254 0.000 1.240 496 P CA -0.111 63.079 63.100 0.149 0.000 0.791 496 P CB 0.740 32.485 31.700 0.074 0.000 0.978 497 L N 0.449 121.830 121.223 0.264 0.000 2.127 497 L HA -0.211 4.131 4.340 0.004 0.000 0.211 497 L C 2.847 179.888 176.870 0.286 0.000 1.089 497 L CA 1.754 56.786 54.840 0.320 0.000 0.757 497 L CB -0.810 41.356 42.059 0.179 0.000 0.899 497 L HN 0.472 nan 8.230 nan 0.000 0.434 498 R N -0.408 120.199 120.500 0.179 0.000 2.120 498 R HA -0.108 4.235 4.340 0.004 0.000 0.234 498 R C 1.966 178.340 176.300 0.124 0.000 1.123 498 R CA 1.399 57.587 56.100 0.146 0.000 0.975 498 R CB -0.996 29.354 30.300 0.083 0.000 0.866 498 R HN 0.134 nan 8.270 nan 0.000 0.446 499 V N 0.621 120.559 119.914 0.039 0.000 2.307 499 V HA -0.182 3.940 4.120 0.004 0.000 0.245 499 V C 1.987 178.038 176.094 -0.070 0.000 1.045 499 V CA 1.813 64.053 62.300 -0.099 0.000 1.024 499 V CB -0.678 30.968 31.823 -0.295 0.000 0.651 499 V HN 0.387 nan 8.190 nan 0.000 0.449 500 W N 0.192 121.592 121.300 0.167 0.000 2.342 500 W HA -0.158 4.504 4.660 0.003 0.000 0.297 500 W C 2.731 179.450 176.519 0.333 0.000 1.213 500 W CA 1.639 59.121 57.345 0.228 0.000 1.251 500 W CB -0.313 29.275 29.460 0.214 0.000 1.136 500 W HN 0.071 nan 8.180 nan 0.000 0.526 501 R N -0.260 120.566 120.500 0.544 0.000 2.073 501 R HA -0.240 4.102 4.340 0.004 0.000 0.234 501 R C 2.106 178.550 176.300 0.240 0.000 1.134 501 R CA 2.169 58.566 56.100 0.494 0.000 0.952 501 R CB -0.739 29.818 30.300 0.427 0.000 0.850 501 R HN 0.249 nan 8.270 nan 0.000 0.433 502 H N 0.249 119.380 119.070 0.101 0.000 2.319 502 H HA -0.049 4.509 4.556 0.004 0.000 0.299 502 H C 2.062 177.379 175.328 -0.018 0.000 1.092 502 H CA 2.215 58.270 56.048 0.011 0.000 1.302 502 H CB 0.097 29.846 29.762 -0.021 0.000 1.373 502 H HN 0.141 nan 8.280 nan 0.000 0.497 503 R N -0.257 120.265 120.500 0.036 0.000 2.081 503 R HA -0.088 4.254 4.340 0.004 0.000 0.235 503 R C 2.546 178.802 176.300 -0.074 0.000 1.131 503 R CA 1.034 57.115 56.100 -0.032 0.000 0.960 503 R CB -0.338 29.986 30.300 0.040 0.000 0.856 503 R HN 0.410 nan 8.270 nan 0.000 0.436 504 A N 1.165 123.989 122.820 0.007 0.000 1.933 504 A HA -0.166 4.156 4.320 0.004 0.000 0.218 504 A C 2.068 179.399 177.584 -0.421 0.000 1.175 504 A CA 1.147 53.060 52.037 -0.206 0.000 0.628 504 A CB -0.340 18.625 19.000 -0.059 0.000 0.814 504 A HN 0.219 nan 8.150 nan 0.000 0.444 505 R N -0.610 119.698 120.500 -0.320 0.000 2.091 505 R HA -0.127 4.215 4.340 0.004 0.000 0.238 505 R C 2.667 178.787 176.300 -0.299 0.000 1.136 505 R CA 1.578 57.493 56.100 -0.307 0.000 0.959 505 R CB -0.383 29.765 30.300 -0.252 0.000 0.856 505 R HN 0.582 nan 8.270 nan 0.000 0.437 506 S N 0.129 115.647 115.700 -0.303 0.000 2.355 506 S HA -0.099 4.373 4.470 0.004 0.000 0.222 506 S C 2.034 176.486 174.600 -0.247 0.000 1.031 506 S CA 1.324 59.374 58.200 -0.250 0.000 0.993 506 S CB -0.136 62.926 63.200 -0.229 0.000 0.859 506 S HN 0.123 nan 8.310 nan 0.000 0.453 507 V N 2.595 122.318 119.914 -0.318 0.000 2.343 507 V HA -0.144 3.979 4.120 0.004 0.000 0.247 507 V C 2.736 178.571 176.094 -0.432 0.000 1.051 507 V CA 2.239 64.320 62.300 -0.364 0.000 1.036 507 V CB -0.892 30.631 31.823 -0.501 0.000 0.654 507 V HN 0.515 nan 8.190 nan 0.000 0.451 508 R N 0.402 120.557 120.500 -0.576 0.000 2.083 508 R HA -0.205 4.137 4.340 0.004 0.000 0.237 508 R C 2.300 178.484 176.300 -0.194 0.000 1.137 508 R CA 1.903 57.781 56.100 -0.370 0.000 0.951 508 R CB -0.502 29.608 30.300 -0.317 0.000 0.851 508 R HN 0.475 nan 8.270 nan 0.000 0.434 509 A N 0.806 123.514 122.820 -0.187 0.000 1.902 509 A HA -0.163 4.159 4.320 0.004 0.000 0.217 509 A C 2.210 179.739 177.584 -0.093 0.000 1.181 509 A CA 1.551 53.513 52.037 -0.125 0.000 0.623 509 A CB -0.408 18.517 19.000 -0.125 0.000 0.818 509 A HN 0.356 nan 8.150 nan 0.000 0.443 510 R N -0.637 119.802 120.500 -0.101 0.000 2.092 510 R HA 0.038 4.380 4.340 0.004 0.000 0.231 510 R C 2.033 178.317 176.300 -0.026 0.000 1.119 510 R CA 1.264 57.328 56.100 -0.059 0.000 0.970 510 R CB -0.430 29.834 30.300 -0.060 0.000 0.864 510 R HN 0.537 nan 8.270 nan 0.000 0.440 511 L N 0.110 121.316 121.223 -0.028 0.000 2.027 511 L HA -0.172 4.170 4.340 0.004 0.000 0.206 511 L C 2.195 179.074 176.870 0.015 0.000 1.074 511 L CA 1.178 56.033 54.840 0.024 0.000 0.745 511 L CB -0.422 41.663 42.059 0.044 0.000 0.898 511 L HN 0.200 nan 8.230 nan 0.000 0.433 512 L N -0.954 120.261 121.223 -0.014 0.000 2.079 512 L HA -0.228 4.114 4.340 0.004 0.000 0.210 512 L C 2.671 179.536 176.870 -0.008 0.000 1.081 512 L CA 1.065 55.898 54.840 -0.013 0.000 0.752 512 L CB -0.494 41.545 42.059 -0.034 0.000 0.896 512 L HN 0.211 nan 8.230 nan 0.000 0.433 513 S N -0.935 114.756 115.700 -0.014 0.000 2.419 513 S HA -0.159 4.314 4.470 0.004 0.000 0.233 513 S C 1.904 176.506 174.600 0.004 0.000 1.016 513 S CA 0.870 59.064 58.200 -0.010 0.000 0.974 513 S CB -0.093 63.097 63.200 -0.017 0.000 0.786 513 S HN 0.416 nan 8.310 nan 0.000 0.492 514 Q N 0.397 120.206 119.800 0.015 0.000 2.297 514 Q HA 0.153 4.496 4.340 0.004 0.000 0.204 514 Q C 1.420 177.436 176.000 0.027 0.000 0.962 514 Q CA 0.701 56.520 55.803 0.027 0.000 0.879 514 Q CB -0.794 27.972 28.738 0.046 0.000 0.947 514 Q HN 0.550 nan 8.270 nan 0.000 0.462 515 G N -0.493 108.321 108.800 0.023 0.000 2.796 515 G HA2 -0.035 3.927 3.960 0.004 0.000 0.226 515 G HA3 -0.035 3.927 3.960 0.004 0.000 0.226 515 G C 0.467 175.386 174.900 0.031 0.000 1.381 515 G CA 0.102 45.215 45.100 0.022 0.000 0.867 515 G HN 0.764 nan 8.290 nan 0.000 0.552 516 G N -0.702 108.114 108.800 0.027 0.000 2.566 516 G HA2 -0.241 3.721 3.960 0.004 0.000 0.280 516 G HA3 -0.241 3.721 3.960 0.004 0.000 0.280 516 G C 1.188 176.110 174.900 0.037 0.000 1.225 516 G CA 1.299 46.417 45.100 0.029 0.000 0.966 516 G HN 1.492 nan 8.290 nan 0.000 0.560 517 R N 0.354 120.879 120.500 0.041 0.000 2.127 517 R HA 0.027 4.369 4.340 0.004 0.000 0.238 517 R C 3.197 179.544 176.300 0.078 0.000 1.134 517 R CA 1.931 58.061 56.100 0.049 0.000 0.975 517 R CB -0.576 29.756 30.300 0.054 0.000 0.865 517 R HN 0.692 nan 8.270 nan 0.000 0.447 518 A N 1.315 124.190 122.820 0.092 0.000 1.902 518 A HA -0.131 4.191 4.320 0.004 0.000 0.217 518 A C 2.387 180.024 177.584 0.089 0.000 1.181 518 A CA 1.707 53.818 52.037 0.122 0.000 0.623 518 A CB -0.599 18.469 19.000 0.114 0.000 0.818 518 A HN 0.391 nan 8.150 nan 0.000 0.443 519 A N -1.013 121.843 122.820 0.060 0.000 1.902 519 A HA -0.088 4.234 4.320 0.004 0.000 0.217 519 A C 2.289 179.905 177.584 0.053 0.000 1.181 519 A CA 2.290 54.353 52.037 0.042 0.000 0.623 519 A CB -1.315 17.703 19.000 0.029 0.000 0.818 519 A HN 0.435 nan 8.150 nan 0.000 0.443 520 T N -0.585 114.006 114.554 0.062 0.000 2.720 520 T HA -0.213 4.139 4.350 0.004 0.000 0.268 520 T C 1.902 176.650 174.700 0.080 0.000 1.037 520 T CA 1.604 63.758 62.100 0.090 0.000 1.144 520 T CB -0.750 68.123 68.868 0.008 0.000 0.864 520 T HN 0.594 nan 8.240 nan 0.000 0.444 521 C N 1.336 120.657 119.300 0.035 0.000 2.413 521 C HA -0.002 4.460 4.460 0.004 0.000 0.276 521 C C 3.107 178.093 174.990 -0.007 0.000 1.236 521 C CA 0.527 59.525 59.018 -0.033 0.000 1.735 521 C CB -1.582 26.148 27.740 -0.017 0.000 2.031 521 C HN 0.731 nan 8.230 nan 0.000 0.474 522 G N 0.140 108.981 108.800 0.068 0.000 2.446 522 G HA2 -0.306 3.657 3.960 0.004 0.000 0.217 522 G HA3 -0.306 3.657 3.960 0.004 0.000 0.217 522 G C 1.626 176.561 174.900 0.058 0.000 1.168 522 G CA 1.299 46.469 45.100 0.116 0.000 0.771 522 G HN 0.646 nan 8.290 nan 0.000 0.551 523 K N -0.914 119.486 120.400 -0.000 0.000 2.002 523 K HA -0.097 4.226 4.320 0.004 0.000 0.209 523 K C 2.278 178.722 176.600 -0.260 0.000 1.048 523 K CA 1.327 57.546 56.287 -0.113 0.000 0.930 523 K CB -0.272 32.170 32.500 -0.096 0.000 0.714 523 K HN 0.411 nan 8.250 nan 0.000 0.438 524 Y N 0.643 120.752 120.300 -0.318 0.000 2.201 524 Y HA 0.002 4.554 4.550 0.004 0.000 0.292 524 Y C 2.020 177.581 175.900 -0.566 0.000 1.119 524 Y CA 0.836 58.557 58.100 -0.632 0.000 1.127 524 Y CB -0.081 37.766 38.460 -1.022 0.000 1.019 524 Y HN -0.046 nan 8.280 nan 0.000 0.514 525 L N -1.752 119.285 121.223 -0.309 0.000 2.201 525 L HA -0.139 4.203 4.340 0.004 0.000 0.212 525 L C 0.617 177.176 176.870 -0.519 0.000 1.105 525 L CA 1.285 55.884 54.840 -0.401 0.000 0.775 525 L CB -0.314 41.289 42.059 -0.760 0.000 0.913 525 L HN 0.184 nan 8.230 nan 0.000 0.440 526 F N -1.768 118.120 119.950 -0.103 0.000 2.764 526 F HA 0.187 4.716 4.527 0.003 0.000 0.310 526 F C 1.693 177.184 175.800 -0.514 0.000 1.124 526 F CA -0.400 57.343 58.000 -0.428 0.000 1.252 526 F CB -0.665 38.095 39.000 -0.401 0.000 1.010 526 F HN 0.002 nan 8.300 nan 0.000 0.518 527 N N 1.158 119.771 118.700 -0.145 0.000 2.223 527 N HA -0.183 4.559 4.740 0.004 0.000 0.185 527 N C 1.974 177.448 175.510 -0.060 0.000 1.016 527 N CA 1.659 54.641 53.050 -0.113 0.000 0.863 527 N CB -0.111 38.324 38.487 -0.087 0.000 0.983 527 N HN 0.594 nan 8.380 nan 0.000 0.429 528 W N 0.450 121.786 121.300 0.059 0.000 2.387 528 W HA -0.005 4.657 4.660 0.003 0.000 0.272 528 W C 1.428 178.000 176.519 0.088 0.000 1.224 528 W CA 0.694 58.084 57.345 0.075 0.000 1.210 528 W CB -0.668 28.852 29.460 0.100 0.000 1.125 528 W HN -0.010 nan 8.180 nan 0.000 0.572 529 A N 1.412 123.860 122.820 -0.621 0.000 2.132 529 A HA 0.193 4.515 4.320 0.004 0.000 0.213 529 A C 1.105 178.546 177.584 -0.238 0.000 1.154 529 A CA 0.963 52.625 52.037 -0.625 0.000 0.753 529 A CB -0.800 17.576 19.000 -1.042 0.000 0.826 529 A HN 0.116 nan 8.150 nan 0.000 0.469 530 V N -1.831 117.976 119.914 -0.179 0.000 2.617 530 V HA 0.379 4.501 4.120 0.004 0.000 0.298 530 V C 0.882 176.946 176.094 -0.050 0.000 1.048 530 V CA -0.313 61.923 62.300 -0.108 0.000 0.964 530 V CB 1.440 33.195 31.823 -0.114 0.000 1.004 530 V HN 0.511 nan 8.190 nan 0.000 0.466 531 K N 1.162 121.540 120.400 -0.036 0.000 2.228 531 K HA 0.016 4.338 4.320 0.004 0.000 0.202 531 K C 0.973 177.556 176.600 -0.029 0.000 1.051 531 K CA 1.145 57.420 56.287 -0.019 0.000 0.960 531 K CB -0.033 32.461 32.500 -0.011 0.000 0.743 531 K HN 0.684 nan 8.250 nan 0.000 0.458 532 T N 1.650 116.180 114.554 -0.040 0.000 3.145 532 T HA 0.270 4.622 4.350 0.004 0.000 0.362 532 T C -0.867 173.801 174.700 -0.054 0.000 1.340 532 T CA -0.896 61.178 62.100 -0.042 0.000 1.069 532 T CB 0.260 69.104 68.868 -0.040 0.000 1.129 532 T HN -0.019 nan 8.240 nan 0.000 0.585 533 K N 3.089 123.458 120.400 -0.052 0.000 2.414 533 K HA 0.375 4.697 4.320 0.004 0.000 0.272 533 K C 0.065 176.619 176.600 -0.075 0.000 0.993 533 K CA -0.258 55.991 56.287 -0.064 0.000 0.964 533 K CB 0.229 32.699 32.500 -0.050 0.000 0.925 533 K HN 0.408 nan 8.250 nan 0.000 0.487 534 L N 2.594 123.754 121.223 -0.104 0.000 2.468 534 L HA 0.182 4.524 4.340 0.004 0.000 0.254 534 L C 1.512 178.307 176.870 -0.125 0.000 1.171 534 L CA 0.064 54.833 54.840 -0.119 0.000 0.809 534 L CB 0.575 42.539 42.059 -0.158 0.000 1.155 534 L HN 0.666 nan 8.230 nan 0.000 0.473 535 K N 0.929 121.262 120.400 -0.111 0.000 2.020 535 K HA -0.092 4.230 4.320 0.004 0.000 0.212 535 K C -0.278 176.260 176.600 -0.105 0.000 1.050 535 K CA 0.744 56.980 56.287 -0.084 0.000 0.929 535 K CB -0.457 32.010 32.500 -0.055 0.000 0.714 535 K HN 0.155 nan 8.250 nan 0.000 0.443 536 L N 1.992 123.094 121.223 -0.202 0.000 3.052 536 L HA -0.160 4.182 4.340 0.004 0.000 0.652 536 L C -0.459 176.423 176.870 0.020 0.000 1.019 536 L CA 1.429 56.119 54.840 -0.249 0.000 1.317 536 L CB -2.180 39.737 42.059 -0.236 0.000 1.728 536 L HN 0.785 nan 8.230 nan 0.000 0.839 537 T N 0.880 115.509 114.554 0.125 0.000 2.940 537 T HA 0.913 5.265 4.350 0.004 0.000 0.288 537 T C -2.621 172.215 174.700 0.227 0.000 1.045 537 T CA -2.323 59.867 62.100 0.150 0.000 1.018 537 T CB 2.109 71.033 68.868 0.093 0.000 1.151 537 T HN 0.182 nan 8.240 nan 0.000 0.529 538 P HA 0.234 nan 4.420 nan 0.000 0.265 538 P C -0.596 176.736 177.300 0.054 0.000 1.193 538 P CA -0.114 63.046 63.100 0.100 0.000 0.765 538 P CB 0.096 31.831 31.700 0.059 0.000 0.823 539 I N 6.058 126.610 120.570 -0.029 0.000 2.352 539 I HA 0.111 4.283 4.170 0.004 0.000 0.290 539 I C -1.227 174.854 176.117 -0.059 0.000 1.036 539 I CA -1.808 59.428 61.300 -0.106 0.000 1.336 539 I CB 1.155 38.994 38.000 -0.269 0.000 1.407 539 I HN 0.319 nan 8.210 nan 0.000 0.497 540 P HA -0.197 nan 4.420 nan 0.000 0.216 540 P C 1.404 178.680 177.300 -0.040 0.000 1.150 540 P CA 1.061 64.144 63.100 -0.028 0.000 0.837 540 P CB 0.239 31.929 31.700 -0.017 0.000 0.786 541 A N -0.049 122.739 122.820 -0.053 0.000 2.019 541 A HA -0.076 4.246 4.320 0.004 0.000 0.219 541 A C 2.295 179.838 177.584 -0.068 0.000 1.164 541 A CA 1.809 53.812 52.037 -0.056 0.000 0.644 541 A CB -1.466 17.498 19.000 -0.060 0.000 0.805 541 A HN 0.203 nan 8.150 nan 0.000 0.449 542 A N 0.548 123.322 122.820 -0.077 0.000 1.933 542 A HA -0.105 4.217 4.320 0.004 0.000 0.218 542 A C 2.407 179.945 177.584 -0.078 0.000 1.175 542 A CA 2.143 54.130 52.037 -0.084 0.000 0.628 542 A CB -0.961 17.994 19.000 -0.074 0.000 0.814 542 A HN 0.971 nan 8.150 nan 0.000 0.444 543 S N -0.589 115.076 115.700 -0.058 0.000 2.507 543 S HA -0.076 4.397 4.470 0.004 0.000 0.235 543 S C 1.650 176.217 174.600 -0.054 0.000 0.988 543 S CA 0.814 58.984 58.200 -0.050 0.000 0.944 543 S CB -0.226 62.954 63.200 -0.032 0.000 0.762 543 S HN 0.567 nan 8.310 nan 0.000 0.526 544 R N 0.625 121.090 120.500 -0.059 0.000 2.254 544 R HA 0.376 4.718 4.340 0.004 0.000 0.195 544 R C 0.448 176.705 176.300 -0.071 0.000 0.957 544 R CA -0.073 55.995 56.100 -0.055 0.000 1.024 544 R CB -0.619 29.654 30.300 -0.045 0.000 0.952 544 R HN 0.428 nan 8.270 nan 0.000 0.484 545 L N 2.416 123.579 121.223 -0.099 0.000 2.485 545 L HA 0.011 4.353 4.340 0.004 0.000 0.275 545 L C 0.479 177.266 176.870 -0.139 0.000 1.207 545 L CA -0.050 54.711 54.840 -0.133 0.000 0.855 545 L CB 0.210 42.153 42.059 -0.195 0.000 1.114 545 L HN -0.141 nan 8.230 nan 0.000 0.485 546 D N 3.451 123.776 120.400 -0.125 0.000 2.468 546 D HA 0.186 4.829 4.640 0.004 0.000 0.218 546 D C 0.100 176.316 176.300 -0.141 0.000 1.155 546 D CA -0.244 53.698 54.000 -0.097 0.000 0.924 546 D CB 0.817 41.587 40.800 -0.050 0.000 1.029 546 D HN 0.216 nan 8.370 nan 0.000 0.515 547 L N 2.590 123.679 121.223 -0.224 0.000 2.728 547 L HA 0.144 4.486 4.340 0.004 0.000 0.235 547 L C 0.771 177.610 176.870 -0.051 0.000 1.197 547 L CA -0.091 54.506 54.840 -0.406 0.000 0.992 547 L CB -0.592 41.082 42.059 -0.641 0.000 1.263 547 L HN 0.279 nan 8.230 nan 0.000 0.484 548 S N -1.139 114.589 115.700 0.046 0.000 2.564 548 S HA 0.496 4.968 4.470 0.004 0.000 0.278 548 S C 1.377 176.109 174.600 0.221 0.000 1.333 548 S CA 0.146 58.414 58.200 0.115 0.000 1.048 548 S CB 1.152 64.395 63.200 0.072 0.000 0.900 548 S HN 0.591 nan 8.310 nan 0.000 0.505 549 G N 1.775 110.705 108.800 0.216 0.000 2.241 549 G HA2 -0.238 3.724 3.960 0.004 0.000 0.244 549 G HA3 -0.238 3.724 3.960 0.004 0.000 0.244 549 G C -0.243 174.798 174.900 0.235 0.000 0.998 549 G CA -0.063 45.176 45.100 0.231 0.000 0.621 549 G HN 0.719 nan 8.290 nan 0.000 0.519 550 W N 1.090 122.338 121.300 -0.087 0.000 2.266 550 W HA 0.645 5.308 4.660 0.005 0.000 0.317 550 W C 0.729 177.073 176.519 -0.291 0.000 1.310 550 W CA 0.112 57.196 57.345 -0.435 0.000 1.207 550 W CB -0.442 28.580 29.460 -0.730 0.000 1.199 550 W HN 0.359 nan 8.180 nan 0.000 0.544 551 F N 1.530 121.643 119.950 0.271 0.000 2.969 551 F HA -0.275 4.254 4.527 0.004 0.000 0.273 551 F C 0.607 176.542 175.800 0.226 0.000 0.986 551 F CA 0.123 58.299 58.000 0.295 0.000 0.926 551 F CB -1.960 37.181 39.000 0.235 0.000 0.887 551 F HN 0.171 nan 8.300 nan 0.000 0.816 552 V N -1.434 118.674 119.914 0.324 0.000 2.599 552 V HA 0.629 4.751 4.120 0.004 0.000 0.237 552 V C 1.347 177.563 176.094 0.203 0.000 1.081 552 V CA 1.127 63.560 62.300 0.222 0.000 1.107 552 V CB 0.537 32.467 31.823 0.178 0.000 0.808 552 V HN 0.660 nan 8.190 nan 0.000 0.486 553 A N -0.858 122.030 122.820 0.114 0.000 2.593 553 A HA 0.786 5.108 4.320 0.004 0.000 0.290 553 A C -0.215 177.033 177.584 -0.560 0.000 1.126 553 A CA 0.068 52.031 52.037 -0.124 0.000 0.695 553 A CB 1.158 19.926 19.000 -0.387 0.000 1.290 553 A HN 0.404 nan 8.150 nan 0.000 0.414 554 G N -1.347 106.876 108.800 -0.962 0.000 2.400 554 G HA2 0.537 4.499 3.960 0.004 0.000 0.301 554 G HA3 0.537 4.499 3.960 0.004 0.000 0.301 554 G C -0.907 173.344 174.900 -1.082 0.000 1.154 554 G CA -0.070 44.120 45.100 -1.515 0.000 0.852 554 G HN 0.598 nan 8.290 nan 0.000 0.511 555 Y N 0.730 120.821 120.300 -0.350 0.000 2.742 555 Y HA 0.295 4.847 4.550 0.003 0.000 0.248 555 Y C 1.275 177.104 175.900 -0.118 0.000 1.132 555 Y CA -0.806 57.195 58.100 -0.165 0.000 1.142 555 Y CB 0.412 38.817 38.460 -0.092 0.000 1.222 555 Y HN 0.514 nan 8.280 nan 0.000 0.575 556 S N 0.823 116.498 115.700 -0.041 0.000 2.575 556 S HA 0.301 4.773 4.470 0.004 0.000 0.295 556 S C 1.473 176.101 174.600 0.046 0.000 1.267 556 S CA 1.572 59.781 58.200 0.016 0.000 1.074 556 S CB 0.072 63.286 63.200 0.023 0.000 0.829 556 S HN 1.097 nan 8.310 nan 0.000 0.497 557 G N 3.516 112.346 108.800 0.050 0.000 2.205 557 G HA2 -0.228 3.734 3.960 0.004 0.000 0.261 557 G HA3 -0.228 3.734 3.960 0.004 0.000 0.261 557 G C 0.842 175.779 174.900 0.062 0.000 0.980 557 G CA 0.398 45.533 45.100 0.059 0.000 0.632 557 G HN 1.379 nan 8.290 nan 0.000 0.533 558 G N -0.196 108.646 108.800 0.069 0.000 3.042 558 G HA2 0.387 4.349 3.960 0.004 0.000 0.212 558 G HA3 0.387 4.349 3.960 0.004 0.000 0.212 558 G C 0.485 175.405 174.900 0.034 0.000 1.166 558 G CA 1.175 46.328 45.100 0.090 0.000 0.767 558 G HN 1.210 nan 8.290 nan 0.000 0.546 559 D N -0.442 119.948 120.400 -0.017 0.000 2.716 559 D HA -0.158 4.484 4.640 0.004 0.000 0.239 559 D C -0.158 176.077 176.300 -0.109 0.000 1.125 559 D CA 0.348 54.309 54.000 -0.066 0.000 0.681 559 D CB -1.224 39.547 40.800 -0.049 0.000 1.070 559 D HN 0.125 nan 8.370 nan 0.000 0.432 560 I N 1.389 121.870 120.570 -0.149 0.000 2.404 560 I HA 0.357 4.530 4.170 0.004 0.000 0.293 560 I C -0.079 175.876 176.117 -0.270 0.000 0.992 560 I CA -0.782 60.358 61.300 -0.267 0.000 1.149 560 I CB 1.275 38.995 38.000 -0.466 0.000 1.315 560 I HN 0.096 nan 8.210 nan 0.000 0.446 561 Y N 6.937 126.964 120.300 -0.456 0.000 2.376 561 Y HA 0.444 4.997 4.550 0.005 0.000 0.340 561 Y C 0.235 175.770 175.900 -0.608 0.000 0.965 561 Y CA -0.073 57.688 58.100 -0.564 0.000 1.078 561 Y CB 0.616 38.765 38.460 -0.518 0.000 1.193 561 Y HN 0.665 nan 8.280 nan 0.000 0.452 562 H N 0.000 118.420 119.070 -1.084 0.000 2.539 562 H HA 0.000 4.559 4.556 0.005 0.000 0.296 562 H CA 0.000 55.503 56.048 -0.908 0.000 1.023 562 H CB 0.000 29.421 29.762 -0.568 0.000 1.292 562 H HN 0.000 nan 8.280 nan 0.000 0.496