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 2hwi_1_B DATA FIRST_RESID 1 DATA SEQUENCE HHSYTWTGAL ITPCAAEESK LPINALSNSL LRHHNMVYAT TSRSAGLRQK DATA SEQUENCE KVTFDRLQVL DDHYRDVLKE MKAKASTVKA KLLSVEEACK LTPPHSAKSK DATA SEQUENCE FGYGAKDVRN LSSKAVNHIH SVWKDLLEDT VTPIDTTIMA KNEVFCVQXX DATA SEQUENCE XXXRKPARLI VFPDLGVRVC EKMALYDVVS TLPQVVMGSS YGFQYSPGQR DATA SEQUENCE VEFLVNTWKS KKNPMGFSYD TRCFDSTVTE NDIRVEESIY QCCDLAPEAR DATA SEQUENCE QAIKSLTERL YIGGPLTNSK GQNCGYRRCR ASGVLTTSCG NTLTCYLKAS DATA SEQUENCE AACRAAKLQD CTMLVNGDDL VVICESAGVQ EDAASLRAFT EAMTRYSAPP DATA SEQUENCE GDPPQPEYDL ELITSCSSNV SVAHDASGKR VYYLTRDPTT PLARAAWETA DATA SEQUENCE RHTPVNSWLG NIIMYAPTLW ARMILMTHFF SILLAQEQLE KALDCQIYGA DATA SEQUENCE CYSIEPLDLP QIIERLHGLS AFSLHSYSPG EINRVASCLR KLGVPPLRVW DATA SEQUENCE RHRARSVRAR LLSQGGRAAT CGKYLFNWAV KTKLKLTPIP AASQLDLSGW DATA SEQUENCE FVAGYSGGDI YHSLSR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 H HA 0.000 nan 4.556 nan 0.000 0.296 1 H C 0.000 175.213 175.328 -0.192 0.000 0.993 1 H CA 0.000 55.927 56.048 -0.202 0.000 1.023 1 H CB 0.000 29.692 29.762 -0.117 0.000 1.292 2 H N 0.628 119.710 119.070 0.020 0.000 2.683 2 H HA 0.102 4.657 4.556 -0.001 0.000 0.339 2 H C 1.240 176.497 175.328 -0.117 0.000 1.081 2 H CA 0.750 56.788 56.048 -0.016 0.000 1.432 2 H CB 1.508 31.263 29.762 -0.011 0.000 1.462 2 H HN 0.589 nan 8.280 nan 0.000 0.557 3 S N 2.638 118.285 115.700 -0.089 0.000 2.383 3 S HA -0.109 4.361 4.470 -0.000 0.000 0.229 3 S C 0.175 174.449 174.600 -0.542 0.000 1.030 3 S CA 1.024 59.019 58.200 -0.342 0.000 1.002 3 S CB -0.066 62.840 63.200 -0.489 0.000 0.829 3 S HN 0.555 nan 8.310 nan 0.000 0.467 4 Y N 0.605 120.793 120.300 -0.188 0.000 2.571 4 Y HA 0.539 5.088 4.550 -0.001 0.000 0.341 4 Y C -0.302 175.301 175.900 -0.495 0.000 1.076 4 Y CA -0.937 56.906 58.100 -0.428 0.000 1.029 4 Y CB 2.015 40.075 38.460 -0.667 0.000 1.308 4 Y HN 0.107 nan 8.280 nan 0.000 0.461 5 T N -2.107 112.171 114.554 -0.460 0.000 2.848 5 T HA 0.661 5.010 4.350 -0.000 0.000 0.285 5 T C -1.365 173.029 174.700 -0.510 0.000 0.995 5 T CA -0.803 61.096 62.100 -0.335 0.000 0.970 5 T CB 0.926 69.729 68.868 -0.107 0.000 0.976 5 T HN 0.516 nan 8.240 nan 0.000 0.441 6 W N 1.309 122.647 121.300 0.063 0.000 2.666 6 W HA 0.497 5.157 4.660 -0.001 0.000 0.334 6 W C 1.479 178.016 176.519 0.029 0.000 1.051 6 W CA -0.786 56.584 57.345 0.042 0.000 1.224 6 W CB 1.996 31.460 29.460 0.007 0.000 1.405 6 W HN 0.891 nan 8.180 nan 0.000 0.513 7 T N -2.190 112.524 114.554 0.266 0.000 3.044 7 T HA 0.334 4.684 4.350 -0.000 0.000 0.255 7 T C 1.387 176.164 174.700 0.129 0.000 1.073 7 T CA 1.054 63.246 62.100 0.153 0.000 1.125 7 T CB 0.034 68.973 68.868 0.117 0.000 0.908 7 T HN 1.107 nan 8.240 nan 0.000 0.480 8 G N 1.153 110.040 108.800 0.145 0.000 2.545 8 G HA2 0.124 4.084 3.960 -0.000 0.000 0.195 8 G HA3 0.124 4.084 3.960 -0.000 0.000 0.195 8 G C 0.403 175.331 174.900 0.048 0.000 1.009 8 G CA -0.139 45.006 45.100 0.075 0.000 0.703 8 G HN 1.017 nan 8.290 nan 0.000 0.479 9 A N 1.042 123.903 122.820 0.068 0.000 2.520 9 A HA 0.616 4.935 4.320 -0.000 0.000 0.235 9 A C 0.747 178.345 177.584 0.024 0.000 1.065 9 A CA 0.422 52.486 52.037 0.045 0.000 0.764 9 A CB 0.146 19.181 19.000 0.059 0.000 1.002 9 A HN 0.824 nan 8.150 nan 0.000 0.502 10 L N 1.156 122.378 121.223 -0.001 0.000 2.454 10 L HA 0.375 4.715 4.340 -0.000 0.000 0.256 10 L C 0.037 176.896 176.870 -0.019 0.000 1.136 10 L CA -0.501 54.320 54.840 -0.032 0.000 0.804 10 L CB 0.857 42.897 42.059 -0.032 0.000 1.181 10 L HN 0.568 nan 8.230 nan 0.000 0.469 11 I N 1.113 121.656 120.570 -0.045 0.000 2.301 11 I HA 0.117 4.287 4.170 -0.000 0.000 0.292 11 I C 0.331 176.445 176.117 -0.005 0.000 1.046 11 I CA -0.147 61.141 61.300 -0.019 0.000 1.282 11 I CB 0.956 38.929 38.000 -0.044 0.000 1.409 11 I HN 0.633 nan 8.210 nan 0.000 0.484 12 T N 4.962 119.523 114.554 0.011 0.000 2.929 12 T HA 0.608 4.958 4.350 -0.000 0.000 0.284 12 T C -2.421 172.297 174.700 0.029 0.000 1.014 12 T CA -1.845 60.265 62.100 0.016 0.000 1.051 12 T CB 1.904 70.780 68.868 0.014 0.000 1.028 12 T HN 0.278 nan 8.240 nan 0.000 0.485 13 P HA 0.399 nan 4.420 nan 0.000 0.284 13 P C -0.001 177.323 177.300 0.040 0.000 1.287 13 P CA -0.780 62.345 63.100 0.042 0.000 0.824 13 P CB 1.215 32.940 31.700 0.042 0.000 1.180 14 C N -0.528 118.800 119.300 0.046 0.000 2.674 14 C HA 0.574 5.034 4.460 -0.000 0.000 0.276 14 C C 1.260 176.271 174.990 0.035 0.000 1.300 14 C CA 0.871 59.912 59.018 0.039 0.000 1.732 14 C CB -0.695 27.073 27.740 0.045 0.000 2.076 14 C HN 0.715 nan 8.230 nan 0.000 0.548 15 A N -0.459 122.385 122.820 0.041 0.000 2.524 15 A HA 0.757 5.077 4.320 -0.000 0.000 0.303 15 A C -0.927 176.686 177.584 0.049 0.000 1.195 15 A CA 0.136 52.198 52.037 0.041 0.000 0.651 15 A CB -0.360 18.667 19.000 0.044 0.000 1.323 15 A HN 0.492 nan 8.150 nan 0.000 0.479 16 A N -0.084 122.767 122.820 0.051 0.000 2.531 16 A HA 0.491 4.810 4.320 -0.000 0.000 0.236 16 A C -0.056 177.575 177.584 0.078 0.000 1.062 16 A CA 0.519 52.592 52.037 0.059 0.000 0.760 16 A CB -0.344 18.690 19.000 0.057 0.000 0.995 16 A HN 0.571 nan 8.150 nan 0.000 0.501 17 E N 1.512 121.762 120.200 0.084 0.000 2.165 17 E HA 0.270 4.619 4.350 -0.000 0.000 0.266 17 E C -0.905 175.779 176.600 0.140 0.000 0.889 17 E CA -0.355 56.109 56.400 0.107 0.000 0.756 17 E CB 1.496 31.248 29.700 0.087 0.000 1.131 17 E HN 0.743 nan 8.360 nan 0.000 0.411 18 E N 1.186 121.509 120.200 0.206 0.000 2.259 18 E HA 0.096 4.446 4.350 -0.000 0.000 0.281 18 E C 0.363 177.178 176.600 0.358 0.000 1.027 18 E CA -0.075 56.487 56.400 0.269 0.000 0.838 18 E CB 1.262 31.158 29.700 0.326 0.000 1.066 18 E HN 0.544 nan 8.360 nan 0.000 0.401 19 S N 2.495 118.380 115.700 0.310 0.000 2.564 19 S HA 0.082 4.552 4.470 -0.000 0.000 0.231 19 S C 0.413 175.265 174.600 0.420 0.000 1.067 19 S CA -0.290 58.110 58.200 0.333 0.000 0.908 19 S CB 0.214 63.551 63.200 0.228 0.000 0.809 19 S HN 0.199 nan 8.310 nan 0.000 0.491 20 K N 1.889 122.471 120.400 0.303 0.000 2.249 20 K HA 0.432 4.751 4.320 -0.000 0.000 0.280 20 K C -0.667 176.005 176.600 0.120 0.000 1.033 20 K CA -0.627 55.792 56.287 0.220 0.000 0.946 20 K CB 0.770 33.337 32.500 0.112 0.000 1.005 20 K HN 0.214 nan 8.250 nan 0.000 0.469 21 L N 4.982 126.270 121.223 0.108 0.000 2.534 21 L HA 0.136 4.476 4.340 -0.000 0.000 0.271 21 L C -2.383 174.253 176.870 -0.390 0.000 1.178 21 L CA -1.209 53.521 54.840 -0.184 0.000 0.907 21 L CB -0.154 41.928 42.059 0.038 0.000 1.164 21 L HN 0.468 nan 8.230 nan 0.000 0.482 22 P HA 0.214 nan 4.420 nan 0.000 0.271 22 P C -0.966 176.114 177.300 -0.368 0.000 1.216 22 P CA 0.018 62.822 63.100 -0.494 0.000 0.776 22 P CB 0.570 31.896 31.700 -0.625 0.000 0.881 23 I N 3.108 123.528 120.570 -0.250 0.000 2.509 23 I HA 0.413 4.583 4.170 -0.000 0.000 0.293 23 I C 0.360 176.389 176.117 -0.147 0.000 1.020 23 I CA -0.629 60.531 61.300 -0.233 0.000 1.088 23 I CB 1.654 39.533 38.000 -0.201 0.000 1.267 23 I HN 0.492 nan 8.210 nan 0.000 0.430 24 N N 3.748 122.373 118.700 -0.126 0.000 3.229 24 N HA 0.424 5.164 4.740 -0.000 0.000 0.315 24 N C 0.199 175.678 175.510 -0.051 0.000 1.520 24 N CA -0.458 52.548 53.050 -0.072 0.000 0.769 24 N CB 0.787 39.237 38.487 -0.062 0.000 1.766 24 N HN 0.391 nan 8.380 nan 0.000 0.618 25 A N -0.617 122.184 122.820 -0.031 0.000 2.216 25 A HA 0.171 4.491 4.320 -0.000 0.000 0.214 25 A C 1.569 179.143 177.584 -0.016 0.000 1.160 25 A CA 0.705 52.731 52.037 -0.019 0.000 0.725 25 A CB -0.890 18.101 19.000 -0.015 0.000 0.784 25 A HN 0.533 nan 8.150 nan 0.000 0.472 26 L N -1.626 119.584 121.223 -0.022 0.000 2.556 26 L HA 0.039 4.378 4.340 -0.000 0.000 0.226 26 L C 2.412 179.305 176.870 0.038 0.000 1.089 26 L CA 0.413 55.254 54.840 0.002 0.000 0.864 26 L CB -0.246 41.792 42.059 -0.034 0.000 1.067 26 L HN 0.210 nan 8.230 nan 0.000 0.477 27 S N 0.944 116.632 115.700 -0.021 0.000 2.377 27 S HA -0.206 4.264 4.470 -0.000 0.000 0.224 27 S C 1.697 176.316 174.600 0.030 0.000 1.042 27 S CA 1.834 59.998 58.200 -0.059 0.000 1.086 27 S CB -0.396 62.662 63.200 -0.237 0.000 0.995 27 S HN 0.472 nan 8.310 nan 0.000 0.428 28 N N 1.494 120.244 118.700 0.083 0.000 2.258 28 N HA -0.103 4.637 4.740 -0.000 0.000 0.187 28 N C 1.909 177.448 175.510 0.047 0.000 1.012 28 N CA 1.370 54.496 53.050 0.127 0.000 0.870 28 N CB -0.567 37.979 38.487 0.097 0.000 0.977 28 N HN 0.630 nan 8.380 nan 0.000 0.434 29 S N -0.025 115.695 115.700 0.034 0.000 2.423 29 S HA -0.061 4.408 4.470 -0.000 0.000 0.231 29 S C 1.871 176.477 174.600 0.010 0.000 1.014 29 S CA 0.449 58.646 58.200 -0.005 0.000 0.965 29 S CB -0.223 63.005 63.200 0.047 0.000 0.785 29 S HN 0.224 nan 8.310 nan 0.000 0.495 30 L N 1.131 122.370 121.223 0.027 0.000 2.200 30 L HA 0.542 4.882 4.340 -0.000 0.000 0.200 30 L C 0.270 177.192 176.870 0.086 0.000 1.072 30 L CA 0.943 55.790 54.840 0.011 0.000 0.787 30 L CB -0.135 41.725 42.059 -0.332 0.000 0.957 30 L HN 0.654 nan 8.230 nan 0.000 0.459 31 L N -4.462 116.804 121.223 0.071 0.000 2.518 31 L HA 0.548 4.887 4.340 -0.000 0.000 0.257 31 L C 0.072 177.018 176.870 0.127 0.000 0.980 31 L CA -0.919 53.966 54.840 0.074 0.000 0.837 31 L CB 1.539 43.654 42.059 0.093 0.000 1.410 31 L HN -0.218 nan 8.230 nan 0.000 0.410 32 R N -0.409 120.056 120.500 -0.059 0.000 2.195 32 R HA 0.196 4.535 4.340 -0.000 0.000 0.197 32 R C 0.249 176.396 176.300 -0.255 0.000 0.990 32 R CA 0.537 56.531 56.100 -0.177 0.000 1.048 32 R CB -0.166 30.032 30.300 -0.169 0.000 0.997 32 R HN 0.768 nan 8.270 nan 0.000 0.502 33 H N 0.927 119.943 119.070 -0.091 0.000 2.768 33 H HA 0.132 4.688 4.556 -0.001 0.000 0.219 33 H C 0.641 176.007 175.328 0.064 0.000 1.898 33 H CA -0.232 55.781 56.048 -0.058 0.000 1.313 33 H CB -0.268 29.498 29.762 0.006 0.000 1.701 33 H HN 0.363 nan 8.280 nan 0.000 0.534 34 H N 0.590 119.753 119.070 0.155 0.000 2.426 34 H HA -0.151 4.404 4.556 -0.000 0.000 0.298 34 H C 1.464 176.869 175.328 0.129 0.000 1.107 34 H CA 0.594 56.711 56.048 0.115 0.000 1.298 34 H CB 0.290 30.094 29.762 0.071 0.000 1.377 34 H HN 0.554 nan 8.280 nan 0.000 0.519 35 N N 0.451 119.278 118.700 0.211 0.000 2.520 35 N HA -0.091 4.649 4.740 -0.000 0.000 0.185 35 N C 1.321 176.933 175.510 0.170 0.000 1.068 35 N CA 0.680 53.824 53.050 0.156 0.000 0.911 35 N CB 0.079 38.614 38.487 0.080 0.000 0.961 35 N HN 0.423 nan 8.380 nan 0.000 0.446 36 M N 0.284 120.002 119.600 0.197 0.000 2.506 36 M HA 0.096 4.576 4.480 -0.000 0.000 0.260 36 M C 0.293 176.765 176.300 0.286 0.000 1.104 36 M CA 0.277 55.700 55.300 0.206 0.000 1.112 36 M CB -0.083 32.634 32.600 0.195 0.000 1.401 36 M HN -0.255 nan 8.290 nan 0.000 0.473 37 V N 1.301 121.396 119.914 0.302 0.000 2.472 37 V HA 0.371 4.491 4.120 -0.000 0.000 0.290 37 V C -0.662 175.697 176.094 0.441 0.000 1.037 37 V CA -0.744 61.753 62.300 0.329 0.000 0.908 37 V CB 1.145 33.133 31.823 0.276 0.000 0.985 37 V HN 0.404 nan 8.190 nan 0.000 0.454 38 Y N 2.264 122.709 120.300 0.241 0.000 2.625 38 Y HA 0.907 5.456 4.550 -0.001 0.000 0.338 38 Y C -0.566 175.405 175.900 0.119 0.000 1.123 38 Y CA -1.565 56.683 58.100 0.247 0.000 1.046 38 Y CB 1.497 40.067 38.460 0.184 0.000 1.299 38 Y HN 0.706 nan 8.280 nan 0.000 0.464 39 A N 1.503 124.373 122.820 0.084 0.000 2.343 39 A HA 0.673 4.993 4.320 -0.000 0.000 0.316 39 A C -0.168 177.463 177.584 0.078 0.000 1.104 39 A CA -0.405 51.486 52.037 -0.243 0.000 0.768 39 A CB 0.450 19.098 19.000 -0.587 0.000 1.213 39 A HN 1.103 nan 8.150 nan 0.000 0.456 40 T N 0.311 114.902 114.554 0.063 0.000 2.918 40 T HA 0.543 4.893 4.350 -0.000 0.000 0.302 40 T C 0.434 175.190 174.700 0.092 0.000 1.045 40 T CA 0.409 62.615 62.100 0.176 0.000 1.114 40 T CB 0.731 69.717 68.868 0.196 0.000 0.965 40 T HN 1.426 nan 8.240 nan 0.000 0.540 41 T N -2.064 112.550 114.554 0.101 0.000 2.865 41 T HA 0.485 4.835 4.350 -0.000 0.000 0.294 41 T C 1.406 176.138 174.700 0.054 0.000 1.119 41 T CA -0.257 61.886 62.100 0.072 0.000 1.007 41 T CB 1.370 70.287 68.868 0.083 0.000 1.225 41 T HN 0.762 nan 8.240 nan 0.000 0.515 42 S N 0.366 116.091 115.700 0.041 0.000 2.440 42 S HA -0.137 4.332 4.470 -0.000 0.000 0.238 42 S C 1.672 176.277 174.600 0.008 0.000 1.010 42 S CA 0.224 58.438 58.200 0.022 0.000 0.972 42 S CB -0.591 62.622 63.200 0.022 0.000 0.774 42 S HN 0.651 nan 8.310 nan 0.000 0.501 43 R N 1.791 122.303 120.500 0.019 0.000 2.328 43 R HA 0.073 4.413 4.340 -0.000 0.000 0.207 43 R C 1.955 178.254 176.300 -0.002 0.000 1.056 43 R CA 1.108 57.213 56.100 0.008 0.000 1.016 43 R CB -1.081 29.232 30.300 0.021 0.000 0.872 43 R HN 0.791 nan 8.270 nan 0.000 0.471 44 S N -1.557 114.146 115.700 0.005 0.000 2.559 44 S HA 0.277 4.747 4.470 -0.000 0.000 0.226 44 S C 1.775 176.358 174.600 -0.029 0.000 1.000 44 S CA 0.162 58.360 58.200 -0.004 0.000 0.948 44 S CB 0.678 63.895 63.200 0.027 0.000 0.870 44 S HN 0.183 nan 8.310 nan 0.000 0.497 45 A N 2.180 124.974 122.820 -0.043 0.000 1.948 45 A HA 0.125 4.445 4.320 -0.000 0.000 0.220 45 A C 2.267 179.757 177.584 -0.156 0.000 1.177 45 A CA 1.742 53.728 52.037 -0.086 0.000 0.636 45 A CB -1.720 17.227 19.000 -0.089 0.000 0.815 45 A HN 0.675 nan 8.150 nan 0.000 0.449 46 G N -0.342 108.367 108.800 -0.152 0.000 2.440 46 G HA2 -0.149 3.810 3.960 -0.000 0.000 0.218 46 G HA3 -0.149 3.810 3.960 -0.000 0.000 0.218 46 G C 1.357 176.160 174.900 -0.162 0.000 1.154 46 G CA 1.265 46.248 45.100 -0.194 0.000 0.767 46 G HN 0.383 nan 8.290 nan 0.000 0.552 47 L N 0.219 121.383 121.223 -0.099 0.000 2.046 47 L HA 0.066 4.405 4.340 -0.000 0.000 0.208 47 L C 2.745 179.579 176.870 -0.060 0.000 1.077 47 L CA 1.496 56.297 54.840 -0.065 0.000 0.747 47 L CB -0.662 41.375 42.059 -0.037 0.000 0.896 47 L HN 0.158 nan 8.230 nan 0.000 0.432 48 R N -0.113 120.346 120.500 -0.069 0.000 2.066 48 R HA -0.136 4.204 4.340 -0.000 0.000 0.232 48 R C 2.228 178.479 176.300 -0.082 0.000 1.131 48 R CA 1.472 57.544 56.100 -0.047 0.000 0.955 48 R CB -0.416 29.862 30.300 -0.037 0.000 0.851 48 R HN 0.449 nan 8.270 nan 0.000 0.432 49 Q N 0.086 119.753 119.800 -0.221 0.000 2.152 49 Q HA -0.196 4.144 4.340 -0.000 0.000 0.206 49 Q C 2.000 177.920 176.000 -0.133 0.000 0.985 49 Q CA 2.059 57.650 55.803 -0.353 0.000 0.863 49 Q CB -0.143 28.061 28.738 -0.890 0.000 0.904 49 Q HN 0.341 nan 8.270 nan 0.000 0.422 50 K N 0.783 121.121 120.400 -0.103 0.000 2.057 50 K HA -0.138 4.182 4.320 -0.000 0.000 0.207 50 K C 1.988 178.649 176.600 0.102 0.000 1.049 50 K CA 1.233 57.522 56.287 0.003 0.000 0.931 50 K CB 0.021 32.512 32.500 -0.016 0.000 0.714 50 K HN 0.114 nan 8.250 nan 0.000 0.440 51 K N 0.584 121.041 120.400 0.095 0.000 2.097 51 K HA -0.082 4.237 4.320 -0.000 0.000 0.205 51 K C 1.959 178.744 176.600 0.310 0.000 1.050 51 K CA 1.461 57.850 56.287 0.170 0.000 0.938 51 K CB -0.058 32.512 32.500 0.118 0.000 0.718 51 K HN 0.110 nan 8.250 nan 0.000 0.442 52 V N -1.047 119.012 119.914 0.240 0.000 3.573 52 V HA 0.031 4.151 4.120 -0.000 0.000 0.270 52 V C 0.352 176.542 176.094 0.160 0.000 1.221 52 V CA 0.301 62.761 62.300 0.266 0.000 1.163 52 V CB -0.420 31.532 31.823 0.214 0.000 0.847 52 V HN -0.013 nan 8.190 nan 0.000 0.468 53 T N 4.416 119.119 114.554 0.249 0.000 2.753 53 T HA 0.715 5.064 4.350 -0.000 0.000 0.297 53 T C -0.743 174.104 174.700 0.244 0.000 0.981 53 T CA -0.046 62.191 62.100 0.228 0.000 0.956 53 T CB 0.272 69.379 68.868 0.400 0.000 0.936 53 T HN 0.635 nan 8.240 nan 0.000 0.463 54 F N -0.181 119.920 119.950 0.252 0.000 2.807 54 F HA 0.637 5.164 4.527 0.001 0.000 0.316 54 F C -1.249 174.734 175.800 0.306 0.000 1.162 54 F CA -1.806 56.335 58.000 0.235 0.000 0.910 54 F CB 0.618 39.716 39.000 0.163 0.000 1.314 54 F HN 0.243 nan 8.300 nan 0.000 0.454 55 D N 0.728 121.491 120.400 0.604 0.000 2.304 55 D HA 0.516 5.155 4.640 -0.000 0.000 0.250 55 D C -0.859 175.641 176.300 0.334 0.000 1.107 55 D CA 0.053 54.262 54.000 0.348 0.000 0.885 55 D CB 0.875 41.785 40.800 0.184 0.000 1.192 55 D HN 0.588 nan 8.370 nan 0.000 0.436 56 R N 2.246 122.866 120.500 0.200 0.000 2.514 56 R HA 0.653 4.992 4.340 -0.000 0.000 0.301 56 R C -0.845 175.448 176.300 -0.012 0.000 0.962 56 R CA -0.566 55.621 56.100 0.144 0.000 0.882 56 R CB 1.297 31.670 30.300 0.122 0.000 1.143 56 R HN 0.409 nan 8.270 nan 0.000 0.452 57 L N 2.023 123.224 121.223 -0.036 0.000 2.381 57 L HA 0.534 4.874 4.340 -0.000 0.000 0.268 57 L C -0.540 176.268 176.870 -0.103 0.000 0.997 57 L CA -0.768 54.004 54.840 -0.114 0.000 0.818 57 L CB 2.261 44.275 42.059 -0.075 0.000 1.310 57 L HN 0.422 nan 8.230 nan 0.000 0.416 58 Q N 2.055 121.770 119.800 -0.140 0.000 2.323 58 Q HA 0.541 4.881 4.340 -0.000 0.000 0.271 58 Q C -1.520 174.412 176.000 -0.114 0.000 1.048 58 Q CA -0.597 55.138 55.803 -0.114 0.000 0.792 58 Q CB 3.561 32.218 28.738 -0.134 0.000 1.280 58 Q HN 0.331 nan 8.270 nan 0.000 0.441 59 V N 4.684 124.547 119.914 -0.085 0.000 2.349 59 V HA 0.378 4.497 4.120 -0.000 0.000 0.284 59 V C -0.615 175.458 176.094 -0.035 0.000 1.014 59 V CA -0.491 61.764 62.300 -0.075 0.000 0.826 59 V CB 1.139 32.915 31.823 -0.079 0.000 1.009 59 V HN 0.615 nan 8.190 nan 0.000 0.431 60 L N 5.586 126.750 121.223 -0.099 0.000 2.272 60 L HA 0.606 4.946 4.340 -0.000 0.000 0.289 60 L C -0.004 176.864 176.870 -0.002 0.000 1.032 60 L CA -0.542 54.203 54.840 -0.158 0.000 0.810 60 L CB 1.413 43.179 42.059 -0.488 0.000 1.205 60 L HN 0.654 nan 8.230 nan 0.000 0.422 61 D N 0.594 121.080 120.400 0.143 0.000 2.588 61 D HA 0.125 4.764 4.640 -0.000 0.000 0.268 61 D C 0.334 176.705 176.300 0.118 0.000 1.176 61 D CA -0.652 53.416 54.000 0.112 0.000 1.080 61 D CB 0.776 41.648 40.800 0.119 0.000 1.186 61 D HN 0.335 nan 8.370 nan 0.000 0.619 62 D N -1.258 119.151 120.400 0.016 0.000 2.178 62 D HA -0.153 4.486 4.640 -0.000 0.000 0.201 62 D C 1.690 177.995 176.300 0.008 0.000 0.980 62 D CA 1.021 55.007 54.000 -0.024 0.000 0.842 62 D CB -0.027 40.705 40.800 -0.113 0.000 0.948 62 D HN 0.405 nan 8.370 nan 0.000 0.472 63 H N -0.154 118.979 119.070 0.104 0.000 2.353 63 H HA -0.153 4.402 4.556 -0.000 0.000 0.300 63 H C 2.014 177.375 175.328 0.054 0.000 1.090 63 H CA 0.947 57.045 56.048 0.083 0.000 1.327 63 H CB -0.610 29.225 29.762 0.122 0.000 1.383 63 H HN 0.326 nan 8.280 nan 0.000 0.508 64 Y N 1.914 122.254 120.300 0.067 0.000 2.145 64 Y HA -0.214 4.335 4.550 -0.001 0.000 0.286 64 Y C 2.656 178.505 175.900 -0.085 0.000 1.145 64 Y CA 1.619 59.636 58.100 -0.138 0.000 1.148 64 Y CB -0.097 38.197 38.460 -0.276 0.000 0.981 64 Y HN -0.055 nan 8.280 nan 0.000 0.507 65 R N 0.062 120.640 120.500 0.130 0.000 2.115 65 R HA -0.132 4.208 4.340 -0.000 0.000 0.230 65 R C 1.746 178.020 176.300 -0.043 0.000 1.111 65 R CA 1.305 57.420 56.100 0.024 0.000 0.976 65 R CB -0.273 30.079 30.300 0.086 0.000 0.870 65 R HN 0.416 nan 8.270 nan 0.000 0.445 66 D N 0.180 120.574 120.400 -0.010 0.000 2.097 66 D HA -0.130 4.510 4.640 -0.000 0.000 0.195 66 D C 1.974 178.252 176.300 -0.038 0.000 0.989 66 D CA 1.136 55.132 54.000 -0.007 0.000 0.827 66 D CB -0.262 40.559 40.800 0.036 0.000 0.966 66 D HN -0.017 nan 8.370 nan 0.000 0.456 67 V N 1.187 121.058 119.914 -0.072 0.000 2.343 67 V HA -0.212 3.907 4.120 -0.000 0.000 0.247 67 V C 2.486 178.505 176.094 -0.125 0.000 1.051 67 V CA 1.068 63.308 62.300 -0.099 0.000 1.036 67 V CB -0.485 31.238 31.823 -0.166 0.000 0.654 67 V HN 0.134 nan 8.190 nan 0.000 0.451 68 L N 0.604 121.689 121.223 -0.230 0.000 2.042 68 L HA -0.198 4.142 4.340 -0.000 0.000 0.210 68 L C 2.412 179.216 176.870 -0.110 0.000 1.076 68 L CA 2.310 57.017 54.840 -0.221 0.000 0.749 68 L CB -0.839 41.025 42.059 -0.325 0.000 0.893 68 L HN 0.311 nan 8.230 nan 0.000 0.432 69 K N -0.500 119.852 120.400 -0.079 0.000 2.057 69 K HA -0.214 4.106 4.320 -0.000 0.000 0.207 69 K C 1.957 178.540 176.600 -0.029 0.000 1.049 69 K CA 1.868 58.129 56.287 -0.043 0.000 0.931 69 K CB -0.136 32.348 32.500 -0.027 0.000 0.714 69 K HN 0.498 nan 8.250 nan 0.000 0.440 70 E N 0.154 120.342 120.200 -0.021 0.000 2.077 70 E HA -0.188 4.162 4.350 -0.000 0.000 0.193 70 E C 2.075 178.675 176.600 -0.000 0.000 0.989 70 E CA 1.639 58.038 56.400 -0.001 0.000 0.800 70 E CB -0.060 29.651 29.700 0.017 0.000 0.746 70 E HN 0.356 nan 8.360 nan 0.000 0.452 71 M N 0.491 120.089 119.600 -0.003 0.000 2.117 71 M HA -0.175 4.305 4.480 -0.000 0.000 0.262 71 M C 2.115 178.394 176.300 -0.036 0.000 1.065 71 M CA 1.469 56.762 55.300 -0.011 0.000 1.114 71 M CB -0.120 32.476 32.600 -0.007 0.000 1.361 71 M HN -0.063 nan 8.290 nan 0.000 0.408 72 K N 0.271 120.647 120.400 -0.040 0.000 2.097 72 K HA -0.083 4.237 4.320 -0.000 0.000 0.206 72 K C 2.109 178.695 176.600 -0.024 0.000 1.049 72 K CA 1.360 57.626 56.287 -0.035 0.000 0.933 72 K CB -0.264 32.214 32.500 -0.036 0.000 0.717 72 K HN 0.301 nan 8.250 nan 0.000 0.442 73 A N 1.925 124.734 122.820 -0.019 0.000 1.902 73 A HA -0.211 4.109 4.320 -0.000 0.000 0.217 73 A C 1.880 179.454 177.584 -0.016 0.000 1.181 73 A CA 1.592 53.622 52.037 -0.013 0.000 0.623 73 A CB -0.271 18.724 19.000 -0.008 0.000 0.818 73 A HN 0.197 nan 8.150 nan 0.000 0.443 74 K N -0.337 120.050 120.400 -0.022 0.000 2.097 74 K HA 0.031 4.350 4.320 -0.000 0.000 0.205 74 K C 2.239 178.817 176.600 -0.036 0.000 1.050 74 K CA 0.995 57.264 56.287 -0.031 0.000 0.938 74 K CB -0.301 32.173 32.500 -0.044 0.000 0.718 74 K HN 0.420 nan 8.250 nan 0.000 0.442 75 A N 1.044 123.842 122.820 -0.037 0.000 2.019 75 A HA -0.128 4.191 4.320 -0.000 0.000 0.219 75 A C 2.045 179.622 177.584 -0.013 0.000 1.164 75 A CA 1.585 53.605 52.037 -0.028 0.000 0.644 75 A CB -0.435 18.552 19.000 -0.022 0.000 0.805 75 A HN 0.155 nan 8.150 nan 0.000 0.449 76 S N -0.366 115.328 115.700 -0.011 0.000 2.507 76 S HA -0.096 4.374 4.470 -0.000 0.000 0.235 76 S C 1.902 176.499 174.600 -0.005 0.000 0.988 76 S CA 1.562 59.760 58.200 -0.004 0.000 0.944 76 S CB -0.437 62.761 63.200 -0.004 0.000 0.762 76 S HN 0.910 nan 8.310 nan 0.000 0.526 77 T N -1.212 113.335 114.554 -0.011 0.000 3.081 77 T HA 0.218 4.567 4.350 -0.000 0.000 0.250 77 T C 0.495 175.188 174.700 -0.013 0.000 1.100 77 T CA -0.126 61.967 62.100 -0.012 0.000 1.038 77 T CB -0.185 68.674 68.868 -0.016 0.000 0.962 77 T HN 0.010 nan 8.240 nan 0.000 0.516 78 V N 1.965 121.870 119.914 -0.014 0.000 2.583 78 V HA 0.402 4.522 4.120 -0.000 0.000 0.287 78 V C 0.079 176.171 176.094 -0.004 0.000 1.051 78 V CA -0.725 61.566 62.300 -0.016 0.000 1.010 78 V CB 1.247 33.056 31.823 -0.023 0.000 0.988 78 V HN 0.388 nan 8.190 nan 0.000 0.478 79 K N 3.586 123.983 120.400 -0.005 0.000 2.358 79 K HA 0.754 5.074 4.320 -0.000 0.000 0.260 79 K C -0.688 175.914 176.600 0.003 0.000 0.956 79 K CA -0.398 55.891 56.287 0.003 0.000 0.834 79 K CB 1.510 34.012 32.500 0.004 0.000 1.102 79 K HN 0.831 nan 8.250 nan 0.000 0.431 80 A N 3.936 126.762 122.820 0.010 0.000 2.355 80 A HA 0.551 4.871 4.320 -0.000 0.000 0.324 80 A C -1.199 176.400 177.584 0.025 0.000 1.117 80 A CA -0.911 51.132 52.037 0.011 0.000 0.785 80 A CB 0.929 19.931 19.000 0.004 0.000 1.254 80 A HN 0.833 nan 8.150 nan 0.000 0.453 81 K N 1.030 121.448 120.400 0.029 0.000 2.156 81 K HA 0.745 5.065 4.320 -0.000 0.000 0.250 81 K C -1.216 175.411 176.600 0.044 0.000 0.955 81 K CA -0.756 55.551 56.287 0.034 0.000 0.855 81 K CB 1.392 33.908 32.500 0.027 0.000 1.101 81 K HN 0.364 nan 8.250 nan 0.000 0.434 82 L N 2.448 123.692 121.223 0.036 0.000 2.326 82 L HA 0.278 4.618 4.340 -0.000 0.000 0.278 82 L C -1.017 175.839 176.870 -0.023 0.000 1.092 82 L CA -0.597 54.257 54.840 0.024 0.000 0.810 82 L CB 0.845 42.922 42.059 0.030 0.000 1.153 82 L HN 0.612 nan 8.230 nan 0.000 0.439 83 L N 3.336 124.530 121.223 -0.048 0.000 2.334 83 L HA 0.460 4.799 4.340 -0.000 0.000 0.277 83 L C 0.524 177.292 176.870 -0.170 0.000 1.075 83 L CA 0.220 55.012 54.840 -0.080 0.000 0.804 83 L CB 1.461 43.484 42.059 -0.060 0.000 1.174 83 L HN 0.823 nan 8.230 nan 0.000 0.438 84 S N 1.427 117.039 115.700 -0.147 0.000 2.608 84 S HA 0.213 4.682 4.470 -0.000 0.000 0.261 84 S C 1.281 175.751 174.600 -0.217 0.000 1.314 84 S CA -0.677 57.417 58.200 -0.177 0.000 0.992 84 S CB 0.763 63.897 63.200 -0.111 0.000 0.935 84 S HN 0.321 nan 8.310 nan 0.000 0.564 85 V N 1.410 121.173 119.914 -0.251 0.000 2.407 85 V HA -0.140 3.980 4.120 -0.000 0.000 0.248 85 V C 2.608 178.594 176.094 -0.180 0.000 1.055 85 V CA 2.269 64.399 62.300 -0.283 0.000 1.049 85 V CB -1.381 30.197 31.823 -0.408 0.000 0.662 85 V HN 0.820 nan 8.190 nan 0.000 0.455 86 E N 0.457 120.579 120.200 -0.129 0.000 2.031 86 E HA -0.208 4.142 4.350 -0.000 0.000 0.193 86 E C 2.201 178.740 176.600 -0.102 0.000 0.994 86 E CA 1.569 57.912 56.400 -0.096 0.000 0.800 86 E CB -0.371 29.288 29.700 -0.068 0.000 0.752 86 E HN 0.681 nan 8.360 nan 0.000 0.447 87 E N 0.285 120.419 120.200 -0.109 0.000 2.085 87 E HA -0.214 4.136 4.350 -0.000 0.000 0.194 87 E C 2.033 178.539 176.600 -0.156 0.000 0.994 87 E CA 1.126 57.454 56.400 -0.120 0.000 0.801 87 E CB -0.226 29.406 29.700 -0.112 0.000 0.743 87 E HN 0.280 nan 8.360 nan 0.000 0.453 88 A N 0.755 123.478 122.820 -0.161 0.000 1.902 88 A HA -0.207 4.113 4.320 -0.000 0.000 0.217 88 A C 2.430 179.935 177.584 -0.132 0.000 1.181 88 A CA 1.281 53.220 52.037 -0.164 0.000 0.623 88 A CB -0.898 18.015 19.000 -0.144 0.000 0.818 88 A HN 0.382 nan 8.150 nan 0.000 0.443 89 C N -0.108 119.124 119.300 -0.113 0.000 2.413 89 C HA -0.077 4.383 4.460 -0.000 0.000 0.276 89 C C 2.515 177.458 174.990 -0.078 0.000 1.248 89 C CA 1.266 60.233 59.018 -0.085 0.000 1.742 89 C CB -0.772 26.918 27.740 -0.084 0.000 2.017 89 C HN 0.503 nan 8.230 nan 0.000 0.481 90 K N 0.997 121.348 120.400 -0.082 0.000 2.442 90 K HA 0.049 4.369 4.320 -0.000 0.000 0.198 90 K C 1.363 177.945 176.600 -0.030 0.000 1.042 90 K CA 0.838 57.093 56.287 -0.053 0.000 0.958 90 K CB -0.473 31.996 32.500 -0.052 0.000 0.766 90 K HN 0.546 nan 8.250 nan 0.000 0.474 91 L N 0.936 122.102 121.223 -0.094 0.000 2.592 91 L HA 0.039 4.379 4.340 -0.000 0.000 0.227 91 L C 0.243 177.077 176.870 -0.060 0.000 1.127 91 L CA 0.082 54.855 54.840 -0.111 0.000 0.884 91 L CB -0.088 41.791 42.059 -0.300 0.000 1.065 91 L HN -0.116 nan 8.230 nan 0.000 0.457 92 T N 1.583 116.103 114.554 -0.056 0.000 2.780 92 T HA 0.243 4.593 4.350 -0.000 0.000 0.294 92 T C -2.315 172.310 174.700 -0.124 0.000 0.949 92 T CA -1.177 60.885 62.100 -0.063 0.000 1.074 92 T CB 1.134 69.972 68.868 -0.050 0.000 0.910 92 T HN -0.155 nan 8.240 nan 0.000 0.501 93 P HA 0.137 nan 4.420 nan 0.000 0.268 93 P C -1.902 175.270 177.300 -0.214 0.000 1.205 93 P CA -1.301 61.677 63.100 -0.204 0.000 0.771 93 P CB 0.248 31.909 31.700 -0.063 0.000 0.858 94 P HA -0.145 nan 4.420 nan 0.000 0.218 94 P C 0.415 177.687 177.300 -0.047 0.000 1.148 94 P CA 1.626 64.643 63.100 -0.139 0.000 0.822 94 P CB -0.087 31.556 31.700 -0.095 0.000 0.784 95 H N -2.346 116.643 119.070 -0.134 0.000 2.505 95 H HA 0.268 4.824 4.556 -0.000 0.000 0.289 95 H C 0.507 175.781 175.328 -0.090 0.000 1.052 95 H CA -0.399 55.595 56.048 -0.089 0.000 1.156 95 H CB -0.499 29.222 29.762 -0.068 0.000 1.507 95 H HN -0.022 nan 8.280 nan 0.000 0.548 96 S N 0.934 116.627 115.700 -0.012 0.000 2.568 96 S HA 0.344 4.814 4.470 -0.000 0.000 0.282 96 S C 0.670 175.237 174.600 -0.054 0.000 1.338 96 S CA -0.408 57.761 58.200 -0.050 0.000 1.045 96 S CB 0.183 63.354 63.200 -0.049 0.000 0.873 96 S HN 0.538 nan 8.310 nan 0.000 0.516 97 A N 4.609 127.379 122.820 -0.084 0.000 2.566 97 A HA 0.206 4.526 4.320 -0.000 0.000 0.245 97 A C 0.597 178.175 177.584 -0.011 0.000 1.056 97 A CA -0.039 51.975 52.037 -0.038 0.000 0.757 97 A CB -0.267 18.719 19.000 -0.023 0.000 0.979 97 A HN 0.860 nan 8.150 nan 0.000 0.508 98 K N 2.321 122.703 120.400 -0.030 0.000 2.336 98 K HA 0.311 4.630 4.320 -0.000 0.000 0.262 98 K C 0.375 176.896 176.600 -0.131 0.000 0.992 98 K CA 0.103 56.341 56.287 -0.083 0.000 0.927 98 K CB 0.403 32.851 32.500 -0.087 0.000 0.956 98 K HN 0.458 nan 8.250 nan 0.000 0.495 99 S N 0.245 115.753 115.700 -0.320 0.000 2.603 99 S HA 0.092 4.562 4.470 -0.000 0.000 0.268 99 S C 0.279 174.669 174.600 -0.351 0.000 1.317 99 S CA -0.649 57.300 58.200 -0.419 0.000 1.012 99 S CB 0.589 63.136 63.200 -1.089 0.000 0.926 99 S HN 0.665 nan 8.310 nan 0.000 0.539 100 K N 1.952 122.138 120.400 -0.357 0.000 2.437 100 K HA 0.162 4.481 4.320 -0.000 0.000 0.198 100 K C -0.411 175.790 176.600 -0.665 0.000 1.024 100 K CA 0.298 56.304 56.287 -0.467 0.000 1.148 100 K CB 0.061 32.255 32.500 -0.511 0.000 0.860 100 K HN 0.537 nan 8.250 nan 0.000 0.515 101 F N 0.528 120.290 119.950 -0.314 0.000 2.668 101 F HA 0.251 4.778 4.527 -0.001 0.000 0.301 101 F C 0.933 176.649 175.800 -0.140 0.000 1.106 101 F CA -0.543 57.308 58.000 -0.248 0.000 1.289 101 F CB 1.165 39.890 39.000 -0.458 0.000 1.006 101 F HN 0.100 nan 8.300 nan 0.000 0.535 102 G N 1.022 109.788 108.800 -0.057 0.000 2.356 102 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.233 102 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.233 102 G C -0.668 174.337 174.900 0.175 0.000 1.105 102 G CA -0.072 45.058 45.100 0.050 0.000 0.861 102 G HN 0.633 nan 8.290 nan 0.000 0.493 103 Y N -3.121 117.168 120.300 -0.017 0.000 2.661 103 Y HA 0.620 5.170 4.550 -0.000 0.000 0.339 103 Y C 0.158 176.048 175.900 -0.018 0.000 1.186 103 Y CA -0.885 57.206 58.100 -0.016 0.000 1.137 103 Y CB 0.159 38.612 38.460 -0.011 0.000 1.354 103 Y HN 0.976 nan 8.280 nan 0.000 0.469 104 G N 0.243 109.125 108.800 0.137 0.000 3.013 104 G HA2 0.592 4.552 3.960 -0.000 0.000 0.278 104 G HA3 0.592 4.552 3.960 -0.000 0.000 0.278 104 G C 0.344 175.304 174.900 0.100 0.000 1.353 104 G CA -0.789 44.334 45.100 0.039 0.000 1.043 104 G HN 1.379 nan 8.290 nan 0.000 0.523 105 A N -0.430 122.402 122.820 0.020 0.000 2.024 105 A HA -0.027 4.293 4.320 -0.000 0.000 0.220 105 A C 2.301 179.872 177.584 -0.021 0.000 1.164 105 A CA 1.780 53.818 52.037 0.001 0.000 0.643 105 A CB -0.320 18.650 19.000 -0.050 0.000 0.806 105 A HN 0.423 nan 8.150 nan 0.000 0.451 106 K N 0.497 120.877 120.400 -0.033 0.000 2.026 106 K HA -0.131 4.189 4.320 -0.000 0.000 0.208 106 K C 1.323 177.913 176.600 -0.017 0.000 1.048 106 K CA 1.509 57.769 56.287 -0.045 0.000 0.929 106 K CB -0.687 31.782 32.500 -0.051 0.000 0.713 106 K HN 0.520 nan 8.250 nan 0.000 0.439 107 D N 0.827 121.242 120.400 0.024 0.000 2.178 107 D HA -0.091 4.549 4.640 -0.000 0.000 0.202 107 D C 2.081 178.375 176.300 -0.010 0.000 0.974 107 D CA 0.613 54.626 54.000 0.022 0.000 0.841 107 D CB -0.153 40.692 40.800 0.075 0.000 0.953 107 D HN -0.080 nan 8.370 nan 0.000 0.478 108 V N 1.193 121.121 119.914 0.023 0.000 2.323 108 V HA -0.182 3.937 4.120 -0.000 0.000 0.244 108 V C 2.454 178.523 176.094 -0.041 0.000 1.041 108 V CA 1.428 63.722 62.300 -0.011 0.000 1.025 108 V CB -0.330 31.521 31.823 0.047 0.000 0.656 108 V HN 0.104 nan 8.190 nan 0.000 0.451 109 R N 0.176 120.648 120.500 -0.046 0.000 2.148 109 R HA -0.088 4.252 4.340 -0.000 0.000 0.227 109 R C 1.815 178.084 176.300 -0.052 0.000 1.103 109 R CA 1.452 57.514 56.100 -0.063 0.000 0.983 109 R CB -0.394 29.850 30.300 -0.094 0.000 0.874 109 R HN 0.635 nan 8.270 nan 0.000 0.451 110 N N 0.633 119.306 118.700 -0.045 0.000 2.467 110 N HA 0.069 4.809 4.740 -0.000 0.000 0.184 110 N C -0.142 175.343 175.510 -0.041 0.000 1.106 110 N CA -0.012 53.014 53.050 -0.039 0.000 0.892 110 N CB 0.277 38.745 38.487 -0.032 0.000 0.969 110 N HN 0.038 nan 8.380 nan 0.000 0.454 111 L N 0.895 122.088 121.223 -0.051 0.000 3.865 111 L HA -0.222 4.117 4.340 -0.000 0.000 0.408 111 L C 0.227 177.062 176.870 -0.057 0.000 1.209 111 L CA -0.337 54.468 54.840 -0.058 0.000 0.940 111 L CB -2.640 39.391 42.059 -0.047 0.000 1.971 111 L HN 0.198 nan 8.230 nan 0.000 0.899 112 S N -0.850 114.813 115.700 -0.062 0.000 2.568 112 S HA 0.232 4.701 4.470 -0.000 0.000 0.282 112 S C 1.511 176.068 174.600 -0.072 0.000 1.338 112 S CA -0.024 58.142 58.200 -0.056 0.000 1.045 112 S CB 1.702 64.873 63.200 -0.049 0.000 0.873 112 S HN 0.515 nan 8.310 nan 0.000 0.516 113 S N 2.085 117.756 115.700 -0.047 0.000 2.399 113 S HA -0.202 4.268 4.470 -0.000 0.000 0.231 113 S C 1.706 176.273 174.600 -0.056 0.000 1.022 113 S CA 1.169 59.345 58.200 -0.039 0.000 0.983 113 S CB -0.623 62.564 63.200 -0.022 0.000 0.803 113 S HN 0.797 nan 8.310 nan 0.000 0.480 114 K N 2.519 122.878 120.400 -0.067 0.000 2.032 114 K HA 0.115 4.435 4.320 -0.000 0.000 0.209 114 K C 2.180 178.634 176.600 -0.243 0.000 1.048 114 K CA 1.727 57.968 56.287 -0.076 0.000 0.927 114 K CB -1.222 31.263 32.500 -0.026 0.000 0.712 114 K HN 0.425 nan 8.250 nan 0.000 0.441 115 A N -0.084 122.481 122.820 -0.425 0.000 1.897 115 A HA -0.044 4.275 4.320 -0.000 0.000 0.215 115 A C 2.347 179.673 177.584 -0.430 0.000 1.181 115 A CA 1.646 53.158 52.037 -0.876 0.000 0.620 115 A CB -0.696 17.893 19.000 -0.685 0.000 0.821 115 A HN 0.118 nan 8.150 nan 0.000 0.443 116 V N 1.213 121.001 119.914 -0.210 0.000 2.343 116 V HA -0.264 3.856 4.120 -0.000 0.000 0.247 116 V C 2.283 178.403 176.094 0.043 0.000 1.051 116 V CA 2.107 64.355 62.300 -0.088 0.000 1.036 116 V CB -0.997 30.820 31.823 -0.010 0.000 0.654 116 V HN 0.542 nan 8.190 nan 0.000 0.451 117 N N -0.493 118.235 118.700 0.045 0.000 2.120 117 N HA -0.188 4.551 4.740 -0.000 0.000 0.188 117 N C 1.911 177.463 175.510 0.070 0.000 1.024 117 N CA 1.592 54.697 53.050 0.092 0.000 0.852 117 N CB -0.603 37.907 38.487 0.039 0.000 1.003 117 N HN 0.627 nan 8.380 nan 0.000 0.424 118 H N 1.107 120.139 119.070 -0.063 0.000 2.387 118 H HA 0.048 4.604 4.556 -0.001 0.000 0.299 118 H C 2.055 177.362 175.328 -0.035 0.000 1.090 118 H CA 0.918 56.939 56.048 -0.045 0.000 1.332 118 H CB -0.007 29.765 29.762 0.017 0.000 1.386 118 H HN 0.155 nan 8.280 nan 0.000 0.516 119 I N 0.145 120.706 120.570 -0.015 0.000 2.226 119 I HA -0.281 3.889 4.170 -0.000 0.000 0.245 119 I C 2.288 178.341 176.117 -0.105 0.000 1.100 119 I CA 1.355 62.618 61.300 -0.060 0.000 1.374 119 I CB -0.427 37.499 38.000 -0.124 0.000 1.057 119 I HN 0.301 nan 8.210 nan 0.000 0.413 120 H N -0.771 118.274 119.070 -0.041 0.000 2.421 120 H HA -0.150 4.406 4.556 -0.000 0.000 0.298 120 H C 2.540 177.877 175.328 0.016 0.000 1.087 120 H CA 1.723 57.771 56.048 -0.001 0.000 1.330 120 H CB 0.061 29.806 29.762 -0.029 0.000 1.388 120 H HN 0.174 nan 8.280 nan 0.000 0.526 121 S N -0.410 115.300 115.700 0.017 0.000 2.383 121 S HA -0.115 4.354 4.470 -0.000 0.000 0.227 121 S C 2.240 176.762 174.600 -0.131 0.000 1.026 121 S CA 1.010 59.160 58.200 -0.083 0.000 0.981 121 S CB -0.354 62.726 63.200 -0.201 0.000 0.818 121 S HN 0.198 nan 8.310 nan 0.000 0.472 122 V N 1.296 121.086 119.914 -0.206 0.000 2.358 122 V HA -0.128 3.991 4.120 -0.000 0.000 0.246 122 V C 2.045 178.138 176.094 -0.001 0.000 1.047 122 V CA 1.735 63.945 62.300 -0.150 0.000 1.035 122 V CB -0.828 30.917 31.823 -0.130 0.000 0.658 122 V HN 0.720 nan 8.190 nan 0.000 0.452 123 W N 1.457 122.693 121.300 -0.106 0.000 2.355 123 W HA -0.248 4.411 4.660 -0.001 0.000 0.309 123 W C 2.507 179.001 176.519 -0.042 0.000 1.206 123 W CA 2.337 59.645 57.345 -0.062 0.000 1.284 123 W CB -0.122 29.306 29.460 -0.053 0.000 1.145 123 W HN 0.250 nan 8.180 nan 0.000 0.502 124 K N 0.584 121.043 120.400 0.099 0.000 2.057 124 K HA -0.271 4.049 4.320 -0.000 0.000 0.207 124 K C 1.768 178.309 176.600 -0.099 0.000 1.049 124 K CA 2.286 58.575 56.287 0.002 0.000 0.931 124 K CB -0.609 31.922 32.500 0.052 0.000 0.714 124 K HN 0.008 nan 8.250 nan 0.000 0.440 125 D N 0.145 120.488 120.400 -0.096 0.000 2.144 125 D HA -0.138 4.501 4.640 -0.000 0.000 0.200 125 D C 1.915 178.124 176.300 -0.151 0.000 0.978 125 D CA 0.878 54.814 54.000 -0.106 0.000 0.833 125 D CB 0.072 40.815 40.800 -0.096 0.000 0.961 125 D HN 0.223 nan 8.370 nan 0.000 0.470 126 L N -0.107 120.984 121.223 -0.221 0.000 2.046 126 L HA -0.141 4.199 4.340 -0.000 0.000 0.208 126 L C 2.415 179.097 176.870 -0.314 0.000 1.077 126 L CA 0.752 55.418 54.840 -0.290 0.000 0.747 126 L CB -0.300 41.502 42.059 -0.430 0.000 0.896 126 L HN 0.232 nan 8.230 nan 0.000 0.432 127 L N -0.904 120.096 121.223 -0.371 0.000 2.156 127 L HA -0.160 4.179 4.340 -0.000 0.000 0.208 127 L C 2.244 179.018 176.870 -0.161 0.000 1.095 127 L CA 1.138 55.806 54.840 -0.286 0.000 0.770 127 L CB -0.395 41.499 42.059 -0.273 0.000 0.914 127 L HN 0.306 nan 8.230 nan 0.000 0.439 128 E N -1.027 119.094 120.200 -0.131 0.000 2.318 128 E HA -0.048 4.302 4.350 -0.000 0.000 0.193 128 E C 0.248 176.803 176.600 -0.074 0.000 0.998 128 E CA 0.191 56.540 56.400 -0.084 0.000 0.859 128 E CB 0.346 30.008 29.700 -0.064 0.000 0.812 128 E HN 0.207 nan 8.360 nan 0.000 0.492 129 D N 0.368 120.716 120.400 -0.087 0.000 2.593 129 D HA 0.063 4.703 4.640 -0.000 0.000 0.251 129 D C -0.287 175.965 176.300 -0.080 0.000 1.140 129 D CA -0.316 53.643 54.000 -0.069 0.000 0.855 129 D CB 1.587 42.351 40.800 -0.059 0.000 1.267 129 D HN -0.039 nan 8.370 nan 0.000 0.532 130 T N 0.479 114.995 114.554 -0.064 0.000 3.296 130 T HA 0.288 4.638 4.350 -0.000 0.000 0.285 130 T C 0.742 175.416 174.700 -0.043 0.000 1.014 130 T CA -0.198 61.864 62.100 -0.063 0.000 0.920 130 T CB 0.091 68.924 68.868 -0.058 0.000 1.143 130 T HN 0.134 nan 8.240 nan 0.000 0.522 131 V N -0.141 119.751 119.914 -0.036 0.000 3.305 131 V HA 0.211 4.330 4.120 -0.000 0.000 0.247 131 V C 0.883 176.970 176.094 -0.012 0.000 1.426 131 V CA 0.167 62.455 62.300 -0.021 0.000 1.162 131 V CB 0.427 32.240 31.823 -0.017 0.000 0.961 131 V HN 0.479 nan 8.190 nan 0.000 0.449 132 T N 4.312 118.856 114.554 -0.016 0.000 2.761 132 T HA 0.190 4.540 4.350 -0.000 0.000 0.287 132 T C -2.433 172.266 174.700 -0.001 0.000 0.931 132 T CA -0.488 61.610 62.100 -0.004 0.000 1.164 132 T CB 0.677 69.541 68.868 -0.006 0.000 0.876 132 T HN 0.158 nan 8.240 nan 0.000 0.534 133 P HA 0.115 nan 4.420 nan 0.000 0.264 133 P C -0.189 177.112 177.300 0.001 0.000 1.183 133 P CA 0.005 63.119 63.100 0.025 0.000 0.763 133 P CB 0.351 32.111 31.700 0.100 0.000 0.807 134 I N 2.486 123.039 120.570 -0.029 0.000 2.365 134 I HA 0.149 4.319 4.170 -0.000 0.000 0.291 134 I C 0.902 177.000 176.117 -0.032 0.000 1.004 134 I CA -0.486 60.800 61.300 -0.023 0.000 1.311 134 I CB 0.873 38.850 38.000 -0.037 0.000 1.401 134 I HN 0.323 nan 8.210 nan 0.000 0.491 135 D N 4.472 124.868 120.400 -0.007 0.000 2.399 135 D HA 0.201 4.840 4.640 -0.000 0.000 0.241 135 D C -0.312 175.952 176.300 -0.061 0.000 1.133 135 D CA 0.291 54.272 54.000 -0.031 0.000 0.890 135 D CB 0.830 41.627 40.800 -0.006 0.000 1.201 135 D HN 0.633 nan 8.370 nan 0.000 0.432 136 T N -0.731 113.759 114.554 -0.108 0.000 2.896 136 T HA 0.590 4.940 4.350 -0.000 0.000 0.297 136 T C -0.445 174.110 174.700 -0.243 0.000 1.108 136 T CA -0.963 61.037 62.100 -0.166 0.000 1.004 136 T CB 1.564 70.359 68.868 -0.122 0.000 1.159 136 T HN 0.214 nan 8.240 nan 0.000 0.499 137 T N 2.334 116.598 114.554 -0.482 0.000 2.824 137 T HA 0.609 4.959 4.350 -0.000 0.000 0.280 137 T C -0.489 173.969 174.700 -0.403 0.000 0.995 137 T CA -0.632 61.156 62.100 -0.520 0.000 1.009 137 T CB 0.751 69.114 68.868 -0.842 0.000 0.955 137 T HN 0.732 nan 8.240 nan 0.000 0.452 138 I N 4.157 124.649 120.570 -0.130 0.000 2.404 138 I HA 0.559 4.728 4.170 -0.000 0.000 0.293 138 I C -1.095 175.067 176.117 0.076 0.000 0.992 138 I CA -0.830 60.486 61.300 0.027 0.000 1.149 138 I CB 0.799 38.861 38.000 0.102 0.000 1.315 138 I HN 0.421 nan 8.210 nan 0.000 0.446 139 M N 6.145 125.838 119.600 0.155 0.000 2.593 139 M HA 0.504 4.984 4.480 -0.000 0.000 0.290 139 M C -0.722 175.649 176.300 0.118 0.000 1.244 139 M CA -0.614 54.775 55.300 0.149 0.000 0.857 139 M CB 1.898 34.638 32.600 0.233 0.000 1.738 139 M HN 0.601 nan 8.290 nan 0.000 0.461 140 A N 2.023 124.891 122.820 0.080 0.000 2.260 140 A HA 0.519 4.839 4.320 -0.000 0.000 0.308 140 A C -0.127 177.495 177.584 0.064 0.000 1.254 140 A CA -0.544 51.529 52.037 0.061 0.000 0.874 140 A CB 0.270 19.293 19.000 0.037 0.000 1.153 140 A HN 0.757 nan 8.150 nan 0.000 0.527 141 K N 1.894 122.334 120.400 0.066 0.000 2.355 141 K HA 0.082 4.401 4.320 -0.000 0.000 0.270 141 K C -0.562 176.049 176.600 0.018 0.000 1.003 141 K CA 0.294 56.606 56.287 0.043 0.000 0.957 141 K CB 0.470 33.001 32.500 0.052 0.000 0.939 141 K HN 0.764 nan 8.250 nan 0.000 0.482 142 N N 2.631 121.313 118.700 -0.031 0.000 2.609 142 N HA 0.099 4.839 4.740 -0.000 0.000 0.234 142 N C -1.243 174.145 175.510 -0.205 0.000 1.001 142 N CA -0.333 52.663 53.050 -0.089 0.000 0.926 142 N CB 1.008 39.446 38.487 -0.081 0.000 1.130 142 N HN 0.402 nan 8.380 nan 0.000 0.510 143 E N 0.852 120.913 120.200 -0.231 0.000 2.277 143 E HA 0.461 4.811 4.350 -0.000 0.000 0.266 143 E C -0.776 175.393 176.600 -0.719 0.000 0.901 143 E CA -0.998 55.132 56.400 -0.450 0.000 0.782 143 E CB 2.567 32.051 29.700 -0.360 0.000 1.228 143 E HN 0.068 nan 8.360 nan 0.000 0.424 144 V N 2.866 122.212 119.914 -0.945 0.000 2.472 144 V HA 0.481 4.601 4.120 -0.000 0.000 0.290 144 V C -0.784 174.652 176.094 -1.096 0.000 1.037 144 V CA -0.222 61.542 62.300 -0.894 0.000 0.908 144 V CB 0.263 31.688 31.823 -0.663 0.000 0.985 144 V HN 0.515 nan 8.190 nan 0.000 0.454 145 F N 1.973 121.591 119.950 -0.554 0.000 2.726 145 F HA 0.624 5.151 4.527 0.000 0.000 0.324 145 F C -0.076 175.570 175.800 -0.255 0.000 1.140 145 F CA -0.787 56.974 58.000 -0.399 0.000 0.964 145 F CB 1.337 40.086 39.000 -0.418 0.000 1.399 145 F HN 0.527 nan 8.300 nan 0.000 0.491 146 C N 2.674 122.107 119.300 0.222 0.000 2.382 146 C HA 0.797 5.256 4.460 -0.000 0.000 0.327 146 C C -0.135 175.084 174.990 0.381 0.000 1.250 146 C CA -0.770 58.408 59.018 0.266 0.000 1.707 146 C CB -0.028 27.808 27.740 0.160 0.000 2.272 146 C HN 0.733 nan 8.230 nan 0.000 0.506 147 V N 6.372 126.525 119.914 0.397 0.000 2.814 147 V HA 0.234 4.354 4.120 -0.000 0.000 0.307 147 V C 0.431 176.605 176.094 0.132 0.000 1.089 147 V CA 0.840 63.280 62.300 0.232 0.000 1.212 147 V CB -0.535 31.345 31.823 0.094 0.000 0.912 147 V HN 1.420 nan 8.190 nan 0.000 0.497 155 K N 2.834 123.270 120.400 0.059 0.000 2.174 155 K HA 0.481 4.801 4.320 -0.000 0.000 0.275 155 K C -2.219 174.416 176.600 0.059 0.000 1.015 155 K CA -1.581 54.704 56.287 -0.003 0.000 0.933 155 K CB 1.171 33.578 32.500 -0.155 0.000 1.025 155 K HN 0.140 nan 8.250 nan 0.000 0.463 156 P HA 0.001 nan 4.420 nan 0.000 0.272 156 P C -0.521 176.820 177.300 0.069 0.000 1.223 156 P CA -0.366 62.760 63.100 0.044 0.000 0.784 156 P CB 0.762 32.468 31.700 0.010 0.000 0.923 157 A N 3.512 126.381 122.820 0.081 0.000 2.531 157 A HA 0.074 4.394 4.320 -0.000 0.000 0.236 157 A C 0.709 178.339 177.584 0.077 0.000 1.062 157 A CA 0.009 52.102 52.037 0.095 0.000 0.760 157 A CB -0.287 18.756 19.000 0.072 0.000 0.995 157 A HN 0.480 nan 8.150 nan 0.000 0.501 158 R N 0.660 121.221 120.500 0.102 0.000 2.531 158 R HA 0.459 4.798 4.340 -0.000 0.000 0.273 158 R C -0.598 175.757 176.300 0.091 0.000 1.070 158 R CA -0.336 55.824 56.100 0.100 0.000 1.112 158 R CB 0.516 30.891 30.300 0.125 0.000 1.049 158 R HN 0.681 nan 8.270 nan 0.000 0.508 159 L N 2.507 123.789 121.223 0.098 0.000 2.343 159 L HA 0.496 4.835 4.340 -0.000 0.000 0.275 159 L C -0.356 176.605 176.870 0.151 0.000 1.056 159 L CA -0.915 53.989 54.840 0.107 0.000 0.804 159 L CB 1.287 43.398 42.059 0.087 0.000 1.203 159 L HN 0.442 nan 8.230 nan 0.000 0.440 160 I N 2.437 123.114 120.570 0.178 0.000 2.466 160 I HA 0.468 4.638 4.170 -0.000 0.000 0.289 160 I C -0.949 175.354 176.117 0.309 0.000 1.026 160 I CA -0.367 61.073 61.300 0.233 0.000 1.078 160 I CB 1.948 40.074 38.000 0.209 0.000 1.249 160 I HN 0.163 nan 8.210 nan 0.000 0.429 161 V N 8.884 128.982 119.914 0.307 0.000 2.444 161 V HA 0.618 4.738 4.120 -0.000 0.000 0.294 161 V C -0.751 175.533 176.094 0.315 0.000 1.022 161 V CA -0.483 61.959 62.300 0.237 0.000 0.850 161 V CB 1.036 32.969 31.823 0.183 0.000 0.992 161 V HN 0.592 nan 8.190 nan 0.000 0.426 162 F N 4.876 124.874 119.950 0.081 0.000 2.613 162 F HA 0.956 5.483 4.527 -0.001 0.000 0.310 162 F C -3.099 172.741 175.800 0.068 0.000 1.085 162 F CA -2.784 55.264 58.000 0.080 0.000 0.945 162 F CB 1.755 40.798 39.000 0.073 0.000 1.298 162 F HN 0.292 nan 8.300 nan 0.000 0.455 163 P HA 0.199 nan 4.420 nan 0.000 0.280 163 P C -1.043 176.371 177.300 0.191 0.000 1.272 163 P CA -0.175 62.983 63.100 0.098 0.000 0.819 163 P CB 1.420 33.189 31.700 0.115 0.000 1.122 164 D N -0.534 119.957 120.400 0.151 0.000 2.390 164 D HA -0.085 4.554 4.640 -0.000 0.000 0.236 164 D C 1.360 177.792 176.300 0.220 0.000 1.189 164 D CA -0.198 53.919 54.000 0.195 0.000 0.887 164 D CB 0.285 41.243 40.800 0.264 0.000 1.198 164 D HN 0.107 nan 8.370 nan 0.000 0.444 165 L N 3.053 124.382 121.223 0.178 0.000 2.081 165 L HA -0.013 4.326 4.340 -0.000 0.000 0.212 165 L C 2.026 179.039 176.870 0.239 0.000 1.080 165 L CA 2.556 57.496 54.840 0.167 0.000 0.754 165 L CB -1.085 41.023 42.059 0.083 0.000 0.893 165 L HN 0.644 nan 8.230 nan 0.000 0.433 166 G N -1.263 107.732 108.800 0.325 0.000 2.418 166 G HA2 -0.195 3.764 3.960 -0.000 0.000 0.217 166 G HA3 -0.195 3.764 3.960 -0.000 0.000 0.217 166 G C 1.522 176.565 174.900 0.238 0.000 1.158 166 G CA 1.055 46.391 45.100 0.393 0.000 0.771 166 G HN 0.352 nan 8.290 nan 0.000 0.545 167 V N 0.800 120.840 119.914 0.211 0.000 2.358 167 V HA -0.158 3.962 4.120 -0.000 0.000 0.246 167 V C 2.906 179.095 176.094 0.159 0.000 1.047 167 V CA 1.826 64.218 62.300 0.154 0.000 1.035 167 V CB -0.473 31.426 31.823 0.126 0.000 0.658 167 V HN 0.321 nan 8.190 nan 0.000 0.452 168 R N -0.225 120.377 120.500 0.171 0.000 2.105 168 R HA -0.127 4.212 4.340 -0.000 0.000 0.239 168 R C 2.207 178.585 176.300 0.130 0.000 1.135 168 R CA 1.478 57.673 56.100 0.157 0.000 0.967 168 R CB -0.592 29.797 30.300 0.149 0.000 0.861 168 R HN 0.442 nan 8.270 nan 0.000 0.442 169 V N 0.217 120.202 119.914 0.118 0.000 2.453 169 V HA -0.256 3.864 4.120 -0.000 0.000 0.247 169 V C 2.476 178.615 176.094 0.074 0.000 1.048 169 V CA 1.405 63.745 62.300 0.065 0.000 1.049 169 V CB -0.424 31.423 31.823 0.041 0.000 0.672 169 V HN 0.429 nan 8.190 nan 0.000 0.457 170 C N -0.023 119.364 119.300 0.144 0.000 2.425 170 C HA -0.136 4.323 4.460 -0.000 0.000 0.277 170 C C 2.678 177.845 174.990 0.295 0.000 1.280 170 C CA 0.867 60.049 59.018 0.274 0.000 1.744 170 C CB -0.951 27.002 27.740 0.356 0.000 1.989 170 C HN 0.617 nan 8.230 nan 0.000 0.491 171 E N 0.840 121.171 120.200 0.218 0.000 2.085 171 E HA -0.233 4.117 4.350 -0.000 0.000 0.194 171 E C 2.158 178.882 176.600 0.207 0.000 0.994 171 E CA 1.247 57.783 56.400 0.227 0.000 0.801 171 E CB -0.154 29.688 29.700 0.237 0.000 0.743 171 E HN 0.643 nan 8.360 nan 0.000 0.453 172 K N 0.329 120.823 120.400 0.157 0.000 2.026 172 K HA -0.111 4.209 4.320 -0.000 0.000 0.208 172 K C 2.233 178.901 176.600 0.115 0.000 1.048 172 K CA 1.335 57.705 56.287 0.138 0.000 0.929 172 K CB -0.138 32.377 32.500 0.024 0.000 0.713 172 K HN 0.114 nan 8.250 nan 0.000 0.439 173 M N 0.302 119.926 119.600 0.040 0.000 2.082 173 M HA -0.213 4.266 4.480 -0.000 0.000 0.258 173 M C 2.402 178.738 176.300 0.059 0.000 1.069 173 M CA 1.938 57.197 55.300 -0.068 0.000 1.102 173 M CB -0.343 32.038 32.600 -0.364 0.000 1.336 173 M HN 0.253 nan 8.290 nan 0.000 0.404 174 A N -0.836 122.131 122.820 0.245 0.000 1.984 174 A HA 0.111 4.431 4.320 -0.000 0.000 0.214 174 A C 1.792 179.470 177.584 0.156 0.000 1.173 174 A CA 0.870 53.083 52.037 0.293 0.000 0.673 174 A CB -0.130 19.119 19.000 0.415 0.000 0.830 174 A HN 0.477 nan 8.150 nan 0.000 0.453 175 L N -2.646 118.658 121.223 0.135 0.000 2.817 175 L HA 0.192 4.532 4.340 -0.000 0.000 0.248 175 L C 1.858 178.763 176.870 0.057 0.000 1.133 175 L CA 0.001 54.862 54.840 0.035 0.000 0.935 175 L CB -0.015 42.029 42.059 -0.025 0.000 1.266 175 L HN 0.448 nan 8.230 nan 0.000 0.535 176 Y N 1.558 121.876 120.300 0.030 0.000 2.081 176 Y HA -0.352 4.198 4.550 -0.000 0.000 0.280 176 Y C 2.221 178.154 175.900 0.055 0.000 1.163 176 Y CA 2.291 60.425 58.100 0.056 0.000 1.135 176 Y CB 0.004 38.489 38.460 0.042 0.000 0.970 176 Y HN 0.232 nan 8.280 nan 0.000 0.498 177 D N -0.803 119.614 120.400 0.029 0.000 2.144 177 D HA -0.160 4.480 4.640 -0.000 0.000 0.199 177 D C 2.182 178.411 176.300 -0.119 0.000 0.984 177 D CA 1.331 55.294 54.000 -0.062 0.000 0.834 177 D CB -0.175 40.648 40.800 0.039 0.000 0.955 177 D HN 0.270 nan 8.370 nan 0.000 0.465 178 V N 0.354 120.205 119.914 -0.105 0.000 2.244 178 V HA -0.219 3.901 4.120 -0.000 0.000 0.244 178 V C 2.677 178.664 176.094 -0.178 0.000 1.042 178 V CA 1.789 64.009 62.300 -0.135 0.000 1.006 178 V CB -0.691 31.017 31.823 -0.190 0.000 0.641 178 V HN 0.332 nan 8.190 nan 0.000 0.446 179 V N -2.233 117.555 119.914 -0.210 0.000 3.078 179 V HA -0.114 4.005 4.120 -0.000 0.000 0.265 179 V C 1.990 177.941 176.094 -0.238 0.000 1.122 179 V CA 2.116 64.293 62.300 -0.204 0.000 1.141 179 V CB -0.539 31.188 31.823 -0.161 0.000 0.735 179 V HN 0.457 nan 8.190 nan 0.000 0.498 180 S N 0.792 116.337 115.700 -0.258 0.000 2.478 180 S HA -0.012 4.458 4.470 -0.000 0.000 0.222 180 S C 1.884 176.392 174.600 -0.153 0.000 1.008 180 S CA 1.313 59.379 58.200 -0.225 0.000 0.928 180 S CB 0.107 63.105 63.200 -0.337 0.000 0.781 180 S HN 0.954 nan 8.310 nan 0.000 0.518 181 T N -1.152 113.307 114.554 -0.158 0.000 2.989 181 T HA 0.232 4.582 4.350 -0.000 0.000 0.250 181 T C 1.596 176.196 174.700 -0.168 0.000 0.981 181 T CA -0.075 61.946 62.100 -0.132 0.000 0.980 181 T CB -0.514 68.302 68.868 -0.087 0.000 1.133 181 T HN 0.128 nan 8.240 nan 0.000 0.489 182 L N 2.892 124.017 121.223 -0.164 0.000 2.012 182 L HA 0.176 4.516 4.340 -0.000 0.000 0.210 182 L C -0.969 175.743 176.870 -0.264 0.000 1.073 182 L CA 2.030 56.777 54.840 -0.155 0.000 0.748 182 L CB -1.229 40.788 42.059 -0.071 0.000 0.891 182 L HN 0.124 nan 8.230 nan 0.000 0.431 183 P HA -0.235 nan 4.420 nan 0.000 0.215 183 P C 1.507 178.357 177.300 -0.751 0.000 1.157 183 P CA 1.494 64.161 63.100 -0.722 0.000 0.874 183 P CB -0.201 30.744 31.700 -1.259 0.000 0.790 184 Q N -0.032 119.378 119.800 -0.649 0.000 2.119 184 Q HA -0.103 4.237 4.340 -0.000 0.000 0.201 184 Q C 1.960 177.822 176.000 -0.230 0.000 0.972 184 Q CA 1.491 57.092 55.803 -0.337 0.000 0.847 184 Q CB -0.735 27.906 28.738 -0.161 0.000 0.903 184 Q HN 0.084 nan 8.270 nan 0.000 0.433 185 V N 0.090 119.878 119.914 -0.209 0.000 2.307 185 V HA -0.203 3.917 4.120 -0.000 0.000 0.245 185 V C 2.547 178.548 176.094 -0.155 0.000 1.045 185 V CA 1.451 63.664 62.300 -0.144 0.000 1.024 185 V CB -0.540 31.216 31.823 -0.111 0.000 0.651 185 V HN 0.121 nan 8.190 nan 0.000 0.449 186 V N -0.573 119.218 119.914 -0.205 0.000 2.358 186 V HA -0.205 3.915 4.120 -0.000 0.000 0.246 186 V C 2.093 178.006 176.094 -0.301 0.000 1.047 186 V CA 2.164 64.337 62.300 -0.211 0.000 1.035 186 V CB -0.453 31.239 31.823 -0.220 0.000 0.658 186 V HN 0.476 nan 8.190 nan 0.000 0.452 187 M N -1.098 118.248 119.600 -0.423 0.000 2.441 187 M HA 0.349 4.829 4.480 -0.000 0.000 0.244 187 M C 1.429 177.586 176.300 -0.239 0.000 1.122 187 M CA 0.717 55.684 55.300 -0.555 0.000 1.041 187 M CB 0.270 32.423 32.600 -0.745 0.000 1.438 187 M HN 0.461 nan 8.290 nan 0.000 0.484 188 G N 1.634 110.335 108.800 -0.166 0.000 2.594 188 G HA2 -0.389 3.571 3.960 -0.000 0.000 0.297 188 G HA3 -0.389 3.571 3.960 -0.000 0.000 0.297 188 G C 0.803 175.649 174.900 -0.090 0.000 1.273 188 G CA 0.782 45.829 45.100 -0.088 0.000 0.974 188 G HN 0.540 nan 8.290 nan 0.000 0.552 189 S N -0.763 114.907 115.700 -0.050 0.000 2.500 189 S HA 0.035 4.505 4.470 -0.000 0.000 0.239 189 S C 2.160 176.631 174.600 -0.215 0.000 0.989 189 S CA 1.984 60.109 58.200 -0.126 0.000 0.951 189 S CB -0.120 63.073 63.200 -0.012 0.000 0.759 189 S HN 1.015 nan 8.310 nan 0.000 0.523 190 S N 0.161 115.841 115.700 -0.033 0.000 2.522 190 S HA 0.126 4.596 4.470 -0.000 0.000 0.227 190 S C 0.225 174.823 174.600 -0.004 0.000 0.986 190 S CA -0.155 58.078 58.200 0.056 0.000 0.929 190 S CB -0.393 62.941 63.200 0.224 0.000 0.769 190 S HN 0.706 nan 8.310 nan 0.000 0.529 191 Y N 3.080 123.233 120.300 -0.246 0.000 2.584 191 Y HA 0.429 4.979 4.550 -0.001 0.000 0.351 191 Y C 1.282 176.961 175.900 -0.369 0.000 1.030 191 Y CA -1.413 56.514 58.100 -0.289 0.000 1.332 191 Y CB -0.084 38.204 38.460 -0.286 0.000 1.148 191 Y HN 0.069 nan 8.280 nan 0.000 0.528 192 G N 4.489 112.889 108.800 -0.668 0.000 2.448 192 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.219 192 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.219 192 G C 1.062 175.453 174.900 -0.849 0.000 1.127 192 G CA 0.275 44.989 45.100 -0.643 0.000 0.766 192 G HN 0.641 nan 8.290 nan 0.000 0.552 193 F N 1.225 120.484 119.950 -1.152 0.000 2.699 193 F HA 0.041 4.568 4.527 -0.000 0.000 0.298 193 F C 2.796 178.386 175.800 -0.350 0.000 1.154 193 F CA 0.816 58.278 58.000 -0.897 0.000 1.457 193 F CB -0.110 38.341 39.000 -0.914 0.000 1.106 193 F HN 0.397 nan 8.300 nan 0.000 0.585 194 Q N -0.928 118.645 119.800 -0.378 0.000 2.451 194 Q HA -0.048 4.291 4.340 -0.000 0.000 0.206 194 Q C -0.554 175.335 176.000 -0.186 0.000 0.947 194 Q CA 0.641 56.321 55.803 -0.205 0.000 0.937 194 Q CB -0.265 28.251 28.738 -0.370 0.000 1.025 194 Q HN 0.282 nan 8.270 nan 0.000 0.511 195 Y N 1.678 121.989 120.300 0.018 0.000 2.361 195 Y HA 0.347 4.897 4.550 -0.000 0.000 0.332 195 Y C 0.608 176.410 175.900 -0.165 0.000 1.101 195 Y CA -1.230 56.834 58.100 -0.058 0.000 1.137 195 Y CB 1.491 39.872 38.460 -0.131 0.000 1.207 195 Y HN 0.092 nan 8.280 nan 0.000 0.463 196 S N 1.749 117.248 115.700 -0.335 0.000 2.669 196 S HA 0.333 4.803 4.470 -0.000 0.000 0.270 196 S C -2.078 172.205 174.600 -0.529 0.000 1.225 196 S CA -1.200 56.268 58.200 -1.219 0.000 0.991 196 S CB 1.489 64.009 63.200 -1.134 0.000 0.987 196 S HN 0.402 nan 8.310 nan 0.000 0.552 197 P HA -0.052 nan 4.420 nan 0.000 0.216 197 P C 1.688 178.915 177.300 -0.120 0.000 1.154 197 P CA 1.901 64.885 63.100 -0.193 0.000 0.865 197 P CB -0.504 31.128 31.700 -0.113 0.000 0.789 198 G N -0.533 108.166 108.800 -0.169 0.000 2.402 198 G HA2 -0.260 3.699 3.960 -0.000 0.000 0.216 198 G HA3 -0.260 3.699 3.960 -0.000 0.000 0.216 198 G C 1.490 176.333 174.900 -0.095 0.000 1.162 198 G CA 0.543 45.591 45.100 -0.087 0.000 0.777 198 G HN 0.322 nan 8.290 nan 0.000 0.539 199 Q N -0.470 119.254 119.800 -0.126 0.000 2.167 199 Q HA 0.010 4.350 4.340 -0.000 0.000 0.202 199 Q C 2.557 178.404 176.000 -0.255 0.000 0.970 199 Q CA 0.798 56.535 55.803 -0.110 0.000 0.855 199 Q CB -0.105 28.649 28.738 0.028 0.000 0.911 199 Q HN 0.465 nan 8.270 nan 0.000 0.438 200 R N 0.478 120.858 120.500 -0.199 0.000 2.075 200 R HA -0.117 4.223 4.340 -0.000 0.000 0.232 200 R C 2.088 178.295 176.300 -0.155 0.000 1.126 200 R CA 1.093 57.056 56.100 -0.228 0.000 0.963 200 R CB -0.118 30.140 30.300 -0.068 0.000 0.858 200 R HN 0.086 nan 8.270 nan 0.000 0.435 201 V N 1.549 121.398 119.914 -0.107 0.000 2.295 201 V HA -0.257 3.862 4.120 -0.000 0.000 0.246 201 V C 2.375 178.389 176.094 -0.134 0.000 1.049 201 V CA 2.292 64.532 62.300 -0.100 0.000 1.024 201 V CB -0.581 31.221 31.823 -0.036 0.000 0.648 201 V HN 0.513 nan 8.190 nan 0.000 0.447 202 E N -0.412 119.723 120.200 -0.109 0.000 2.058 202 E HA -0.297 4.052 4.350 -0.000 0.000 0.194 202 E C 2.120 178.650 176.600 -0.116 0.000 0.997 202 E CA 1.891 58.230 56.400 -0.101 0.000 0.801 202 E CB -0.268 29.394 29.700 -0.063 0.000 0.746 202 E HN 0.539 nan 8.360 nan 0.000 0.450 203 F N 1.130 120.883 119.950 -0.327 0.000 2.134 203 F HA -0.120 4.407 4.527 -0.000 0.000 0.299 203 F C 1.913 177.581 175.800 -0.220 0.000 1.097 203 F CA 1.288 59.086 58.000 -0.336 0.000 1.264 203 F CB -0.202 38.414 39.000 -0.641 0.000 1.001 203 F HN 0.022 nan 8.300 nan 0.000 0.479 204 L N -0.880 120.192 121.223 -0.251 0.000 2.046 204 L HA -0.213 4.126 4.340 -0.000 0.000 0.208 204 L C 2.358 179.077 176.870 -0.251 0.000 1.077 204 L CA 1.049 55.728 54.840 -0.269 0.000 0.747 204 L CB -0.797 41.154 42.059 -0.181 0.000 0.896 204 L HN -0.002 nan 8.230 nan 0.000 0.432 205 V N -0.048 119.701 119.914 -0.276 0.000 2.358 205 V HA -0.236 3.884 4.120 -0.000 0.000 0.246 205 V C 2.142 178.126 176.094 -0.183 0.000 1.047 205 V CA 1.693 63.814 62.300 -0.298 0.000 1.035 205 V CB -0.638 30.888 31.823 -0.495 0.000 0.658 205 V HN 0.485 nan 8.190 nan 0.000 0.452 206 N N -0.049 118.531 118.700 -0.201 0.000 2.244 206 N HA -0.111 4.628 4.740 -0.000 0.000 0.183 206 N C 1.877 177.274 175.510 -0.188 0.000 1.016 206 N CA 1.713 54.668 53.050 -0.158 0.000 0.866 206 N CB -0.376 38.033 38.487 -0.130 0.000 0.980 206 N HN 0.448 nan 8.380 nan 0.000 0.430 207 T N 0.385 114.754 114.554 -0.309 0.000 2.812 207 T HA -0.102 4.247 4.350 -0.000 0.000 0.264 207 T C 1.484 176.099 174.700 -0.142 0.000 1.042 207 T CA 0.427 62.336 62.100 -0.319 0.000 1.140 207 T CB -0.108 68.431 68.868 -0.549 0.000 0.870 207 T HN 0.408 nan 8.240 nan 0.000 0.445 208 W N 2.343 123.483 121.300 -0.265 0.000 2.335 208 W HA -0.108 4.551 4.660 -0.002 0.000 0.311 208 W C 1.775 178.207 176.519 -0.145 0.000 1.213 208 W CA 1.253 58.484 57.345 -0.190 0.000 1.274 208 W CB -0.173 29.169 29.460 -0.196 0.000 1.148 208 W HN 0.247 nan 8.180 nan 0.000 0.498 209 K N 0.309 120.731 120.400 0.038 0.000 2.283 209 K HA -0.128 4.191 4.320 -0.000 0.000 0.202 209 K C 2.093 178.639 176.600 -0.090 0.000 1.048 209 K CA 1.587 57.859 56.287 -0.025 0.000 0.948 209 K CB -0.314 32.185 32.500 -0.002 0.000 0.742 209 K HN 0.053 nan 8.250 nan 0.000 0.458 210 S N 0.365 115.998 115.700 -0.112 0.000 2.515 210 S HA 0.003 4.472 4.470 -0.000 0.000 0.231 210 S C 0.480 175.001 174.600 -0.132 0.000 0.987 210 S CA 0.419 58.554 58.200 -0.108 0.000 0.936 210 S CB 0.036 63.172 63.200 -0.107 0.000 0.766 210 S HN -0.051 nan 8.310 nan 0.000 0.528 211 K N 1.761 122.042 120.400 -0.197 0.000 2.156 211 K HA 0.468 4.787 4.320 -0.000 0.000 0.271 211 K C 0.711 177.192 176.600 -0.199 0.000 0.995 211 K CA -0.453 55.701 56.287 -0.222 0.000 0.890 211 K CB 1.121 33.416 32.500 -0.342 0.000 1.073 211 K HN 0.055 nan 8.250 nan 0.000 0.454 212 K N 1.072 121.386 120.400 -0.144 0.000 2.001 212 K HA -0.010 4.309 4.320 -0.000 0.000 0.208 212 K C -0.063 176.459 176.600 -0.130 0.000 1.048 212 K CA 1.130 57.351 56.287 -0.110 0.000 0.932 212 K CB 0.129 32.582 32.500 -0.078 0.000 0.715 212 K HN 0.423 nan 8.250 nan 0.000 0.437 213 N N 1.459 120.072 118.700 -0.146 0.000 2.804 213 N HA 0.197 4.937 4.740 -0.000 0.000 0.251 213 N C -2.819 172.560 175.510 -0.219 0.000 1.250 213 N CA -1.162 51.804 53.050 -0.140 0.000 0.820 213 N CB 1.525 39.966 38.487 -0.077 0.000 1.156 213 N HN 0.069 nan 8.380 nan 0.000 0.512 214 P HA 0.075 nan 4.420 nan 0.000 0.268 214 P C -0.269 176.662 177.300 -0.616 0.000 1.204 214 P CA -0.115 62.505 63.100 -0.800 0.000 0.768 214 P CB 1.157 31.807 31.700 -1.749 0.000 0.842 215 M N 2.644 121.973 119.600 -0.452 0.000 2.386 215 M HA 0.639 5.119 4.480 -0.000 0.000 0.293 215 M C -1.223 175.024 176.300 -0.087 0.000 1.120 215 M CA -0.304 54.863 55.300 -0.221 0.000 0.909 215 M CB 2.524 35.069 32.600 -0.091 0.000 1.661 215 M HN 0.567 nan 8.290 nan 0.000 0.452 216 G N 3.869 112.727 108.800 0.096 0.000 2.660 216 G HA2 0.831 4.791 3.960 -0.000 0.000 0.294 216 G HA3 0.831 4.791 3.960 -0.000 0.000 0.294 216 G C -2.014 172.988 174.900 0.170 0.000 1.369 216 G CA -0.603 44.597 45.100 0.166 0.000 0.912 216 G HN 0.815 nan 8.290 nan 0.000 0.479 217 F N -0.400 119.515 119.950 -0.058 0.000 2.678 217 F HA 0.803 5.331 4.527 0.001 0.000 0.308 217 F C -0.288 175.496 175.800 -0.027 0.000 1.118 217 F CA -1.470 56.493 58.000 -0.061 0.000 0.959 217 F CB 1.368 40.314 39.000 -0.089 0.000 1.305 217 F HN 0.642 nan 8.300 nan 0.000 0.443 218 S N 1.147 116.914 115.700 0.111 0.000 2.565 218 S HA 0.650 5.120 4.470 -0.000 0.000 0.290 218 S C -1.614 173.155 174.600 0.281 0.000 1.150 218 S CA -0.608 57.630 58.200 0.063 0.000 1.058 218 S CB 1.724 64.950 63.200 0.043 0.000 1.032 218 S HN 0.865 nan 8.310 nan 0.000 0.510 219 Y N 1.477 121.864 120.300 0.145 0.000 2.326 219 Y HA 0.444 4.994 4.550 -0.001 0.000 0.331 219 Y C -0.974 175.042 175.900 0.193 0.000 0.962 219 Y CA -0.885 57.374 58.100 0.266 0.000 1.167 219 Y CB 1.272 39.985 38.460 0.421 0.000 1.148 219 Y HN 0.876 nan 8.280 nan 0.000 0.463 220 D N 4.360 124.619 120.400 -0.236 0.000 2.359 220 D HA 0.236 4.876 4.640 -0.000 0.000 0.230 220 D C -0.743 175.413 176.300 -0.239 0.000 1.118 220 D CA -0.080 53.839 54.000 -0.136 0.000 0.844 220 D CB 1.003 41.755 40.800 -0.079 0.000 1.059 220 D HN 0.459 nan 8.370 nan 0.000 0.493 221 T N 3.633 118.211 114.554 0.039 0.000 2.869 221 T HA 0.170 4.519 4.350 -0.000 0.000 0.295 221 T C 0.456 175.245 174.700 0.147 0.000 0.987 221 T CA -0.520 61.683 62.100 0.171 0.000 1.109 221 T CB 0.756 69.940 68.868 0.526 0.000 0.932 221 T HN 0.310 nan 8.240 nan 0.000 0.518 222 R N 2.133 122.688 120.500 0.092 0.000 2.345 222 R HA 0.149 4.489 4.340 -0.000 0.000 0.331 222 R C 0.168 176.580 176.300 0.187 0.000 1.067 222 R CA -0.169 55.984 56.100 0.089 0.000 0.962 222 R CB -0.795 29.509 30.300 0.007 0.000 0.987 222 R HN 0.927 nan 8.270 nan 0.000 0.451 223 C N 6.482 125.912 119.300 0.217 0.000 3.268 223 C HA -0.192 4.268 4.460 -0.000 0.000 0.277 223 C C 1.291 176.478 174.990 0.328 0.000 1.259 223 C CA 0.129 59.314 59.018 0.278 0.000 2.353 223 C CB -2.317 25.614 27.740 0.317 0.000 1.482 223 C HN 1.073 nan 8.230 nan 0.000 0.513 224 F N 2.011 122.074 119.950 0.188 0.000 2.085 224 F HA -0.167 4.359 4.527 -0.001 0.000 0.299 224 F C 1.812 177.723 175.800 0.185 0.000 1.096 224 F CA 2.630 60.743 58.000 0.189 0.000 1.227 224 F CB -0.094 39.006 39.000 0.167 0.000 0.983 224 F HN 0.617 nan 8.300 nan 0.000 0.482 225 D N -0.371 120.262 120.400 0.388 0.000 2.133 225 D HA -0.184 4.456 4.640 -0.000 0.000 0.195 225 D C 2.428 178.798 176.300 0.117 0.000 0.997 225 D CA 1.811 55.969 54.000 0.262 0.000 0.840 225 D CB -0.610 40.351 40.800 0.267 0.000 0.947 225 D HN 0.255 nan 8.370 nan 0.000 0.452 226 S N -0.644 115.147 115.700 0.152 0.000 2.481 226 S HA -0.091 4.378 4.470 -0.000 0.000 0.231 226 S C 1.947 176.555 174.600 0.014 0.000 0.996 226 S CA 1.306 59.528 58.200 0.035 0.000 0.942 226 S CB -0.196 63.033 63.200 0.049 0.000 0.768 226 S HN 0.525 nan 8.310 nan 0.000 0.520 227 T N -0.763 113.842 114.554 0.084 0.000 3.081 227 T HA 0.174 4.524 4.350 -0.000 0.000 0.255 227 T C 0.547 175.184 174.700 -0.105 0.000 1.113 227 T CA -0.082 62.054 62.100 0.061 0.000 1.082 227 T CB -0.326 68.524 68.868 -0.030 0.000 0.939 227 T HN 0.023 nan 8.240 nan 0.000 0.506 228 V N 4.017 123.834 119.914 -0.161 0.000 2.479 228 V HA 0.353 4.473 4.120 -0.000 0.000 0.281 228 V C 1.121 177.178 176.094 -0.063 0.000 1.031 228 V CA -0.253 61.972 62.300 -0.126 0.000 1.038 228 V CB 0.281 32.069 31.823 -0.060 0.000 0.981 228 V HN 0.720 nan 8.190 nan 0.000 0.478 229 T N 0.756 115.286 114.554 -0.040 0.000 2.923 229 T HA 0.338 4.688 4.350 -0.000 0.000 0.281 229 T C 1.011 175.711 174.700 0.001 0.000 0.995 229 T CA -0.296 61.792 62.100 -0.021 0.000 0.985 229 T CB 1.546 70.399 68.868 -0.024 0.000 1.114 229 T HN 0.669 nan 8.240 nan 0.000 0.548 230 E N 0.340 120.550 120.200 0.016 0.000 2.077 230 E HA -0.248 4.102 4.350 -0.000 0.000 0.193 230 E C 1.945 178.561 176.600 0.027 0.000 0.989 230 E CA 1.568 57.986 56.400 0.030 0.000 0.800 230 E CB -0.236 29.489 29.700 0.042 0.000 0.746 230 E HN 0.761 nan 8.360 nan 0.000 0.452 231 N N 0.703 119.412 118.700 0.015 0.000 2.069 231 N HA -0.208 4.531 4.740 -0.000 0.000 0.191 231 N C 1.475 177.002 175.510 0.028 0.000 1.031 231 N CA 2.163 55.220 53.050 0.012 0.000 0.852 231 N CB -0.130 38.346 38.487 -0.019 0.000 1.018 231 N HN 0.134 nan 8.380 nan 0.000 0.423 232 D N 0.160 120.576 120.400 0.026 0.000 2.123 232 D HA -0.139 4.501 4.640 -0.000 0.000 0.196 232 D C 2.001 178.317 176.300 0.028 0.000 0.992 232 D CA 1.106 55.132 54.000 0.044 0.000 0.833 232 D CB -0.292 40.529 40.800 0.034 0.000 0.954 232 D HN 0.482 nan 8.370 nan 0.000 0.455 233 I N 0.544 121.133 120.570 0.031 0.000 2.315 233 I HA -0.196 3.973 4.170 -0.000 0.000 0.248 233 I C 2.489 178.623 176.117 0.029 0.000 1.117 233 I CA 0.903 62.228 61.300 0.042 0.000 1.404 233 I CB -0.103 37.944 38.000 0.078 0.000 1.071 233 I HN -0.111 nan 8.210 nan 0.000 0.419 234 R N 0.076 120.593 120.500 0.028 0.000 2.090 234 R HA -0.053 4.287 4.340 -0.000 0.000 0.228 234 R C 2.327 178.615 176.300 -0.019 0.000 1.110 234 R CA 0.868 56.980 56.100 0.019 0.000 0.973 234 R CB -0.280 30.035 30.300 0.026 0.000 0.869 234 R HN 0.187 nan 8.270 nan 0.000 0.440 235 V N 1.417 121.321 119.914 -0.017 0.000 2.343 235 V HA -0.242 3.877 4.120 -0.000 0.000 0.247 235 V C 1.916 177.926 176.094 -0.139 0.000 1.051 235 V CA 1.819 64.095 62.300 -0.040 0.000 1.036 235 V CB -0.392 31.440 31.823 0.015 0.000 0.654 235 V HN 0.341 nan 8.190 nan 0.000 0.451 236 E N -0.315 119.772 120.200 -0.187 0.000 2.058 236 E HA -0.260 4.089 4.350 -0.000 0.000 0.194 236 E C 2.365 178.530 176.600 -0.726 0.000 0.997 236 E CA 1.400 57.538 56.400 -0.436 0.000 0.801 236 E CB -0.175 29.311 29.700 -0.356 0.000 0.746 236 E HN 0.594 nan 8.360 nan 0.000 0.450 237 E N 0.523 120.508 120.200 -0.359 0.000 2.077 237 E HA -0.194 4.156 4.350 -0.000 0.000 0.193 237 E C 2.135 178.675 176.600 -0.101 0.000 0.989 237 E CA 1.525 57.839 56.400 -0.143 0.000 0.800 237 E CB 0.026 29.765 29.700 0.065 0.000 0.746 237 E HN 0.237 nan 8.360 nan 0.000 0.452 238 S N 0.260 115.900 115.700 -0.101 0.000 2.419 238 S HA -0.122 4.348 4.470 -0.000 0.000 0.233 238 S C 2.063 176.620 174.600 -0.072 0.000 1.016 238 S CA 0.854 59.022 58.200 -0.054 0.000 0.974 238 S CB -0.466 62.709 63.200 -0.042 0.000 0.786 238 S HN 0.271 nan 8.310 nan 0.000 0.492 239 I N -0.063 120.407 120.570 -0.166 0.000 2.286 239 I HA -0.095 4.075 4.170 -0.000 0.000 0.245 239 I C 2.260 178.364 176.117 -0.023 0.000 1.104 239 I CA 1.123 62.342 61.300 -0.136 0.000 1.397 239 I CB -0.441 37.432 38.000 -0.212 0.000 1.072 239 I HN 0.210 nan 8.210 nan 0.000 0.417 240 Y N 1.055 121.352 120.300 -0.005 0.000 2.181 240 Y HA -0.213 4.337 4.550 -0.000 0.000 0.288 240 Y C 2.660 178.566 175.900 0.009 0.000 1.146 240 Y CA 0.655 58.756 58.100 0.001 0.000 1.164 240 Y CB -1.081 37.393 38.460 0.023 0.000 0.982 240 Y HN 0.202 nan 8.280 nan 0.000 0.515 241 Q N -1.032 118.869 119.800 0.169 0.000 2.439 241 Q HA -0.140 4.200 4.340 -0.000 0.000 0.211 241 Q C 2.321 178.358 176.000 0.062 0.000 0.978 241 Q CA 0.894 56.758 55.803 0.101 0.000 0.897 241 Q CB -0.865 27.915 28.738 0.071 0.000 0.956 241 Q HN 0.517 nan 8.270 nan 0.000 0.483 242 C N -0.014 119.316 119.300 0.050 0.000 2.446 242 C HA -0.033 4.427 4.460 -0.000 0.000 0.279 242 C C 1.587 176.595 174.990 0.030 0.000 1.366 242 C CA -0.677 58.357 59.018 0.027 0.000 1.763 242 C CB -0.634 27.111 27.740 0.009 0.000 1.929 242 C HN 0.417 nan 8.230 nan 0.000 0.509 243 C N 1.710 121.038 119.300 0.046 0.000 2.745 243 C HA 0.144 4.604 4.460 -0.000 0.000 0.387 243 C C 0.508 175.517 174.990 0.032 0.000 1.312 243 C CA -0.256 58.782 59.018 0.034 0.000 2.204 243 C CB -0.253 27.512 27.740 0.041 0.000 2.686 243 C HN 0.503 nan 8.230 nan 0.000 0.705 244 D N 1.327 121.741 120.400 0.023 0.000 2.339 244 D HA 0.508 5.148 4.640 -0.000 0.000 0.241 244 D C -0.647 175.671 176.300 0.029 0.000 1.183 244 D CA 0.280 54.293 54.000 0.023 0.000 0.859 244 D CB -0.021 40.788 40.800 0.016 0.000 1.067 244 D HN 0.403 nan 8.370 nan 0.000 0.484 245 L N 1.922 123.167 121.223 0.037 0.000 2.350 245 L HA 0.695 5.035 4.340 -0.000 0.000 0.260 245 L C 0.317 177.216 176.870 0.049 0.000 1.015 245 L CA -1.435 53.432 54.840 0.046 0.000 0.821 245 L CB 1.789 43.883 42.059 0.058 0.000 1.370 245 L HN 0.331 nan 8.230 nan 0.000 0.416 246 A N 1.271 124.126 122.820 0.059 0.000 2.386 246 A HA 0.427 4.747 4.320 -0.000 0.000 0.248 246 A C -1.886 175.740 177.584 0.069 0.000 1.082 246 A CA -0.935 51.139 52.037 0.062 0.000 0.789 246 A CB -0.055 18.989 19.000 0.074 0.000 1.025 246 A HN 0.626 nan 8.150 nan 0.000 0.490 247 P HA -0.187 nan 4.420 nan 0.000 0.216 247 P C 1.297 178.635 177.300 0.063 0.000 1.153 247 P CA 1.726 64.857 63.100 0.051 0.000 0.858 247 P CB 0.230 31.955 31.700 0.042 0.000 0.789 248 E N -0.682 119.579 120.200 0.102 0.000 2.110 248 E HA -0.180 4.170 4.350 -0.000 0.000 0.193 248 E C 1.945 178.643 176.600 0.163 0.000 0.988 248 E CA 1.147 57.637 56.400 0.149 0.000 0.804 248 E CB -0.464 29.403 29.700 0.278 0.000 0.745 248 E HN 0.078 nan 8.360 nan 0.000 0.458 249 A N 1.009 123.941 122.820 0.186 0.000 1.930 249 A HA -0.145 4.175 4.320 -0.000 0.000 0.217 249 A C 2.082 179.723 177.584 0.095 0.000 1.175 249 A CA 1.182 53.331 52.037 0.187 0.000 0.627 249 A CB -0.347 18.749 19.000 0.160 0.000 0.815 249 A HN 0.145 nan 8.150 nan 0.000 0.443 250 R N -1.049 119.492 120.500 0.069 0.000 2.081 250 R HA -0.173 4.167 4.340 -0.000 0.000 0.235 250 R C 2.467 178.776 176.300 0.016 0.000 1.131 250 R CA 1.653 57.783 56.100 0.050 0.000 0.960 250 R CB -0.266 30.060 30.300 0.043 0.000 0.856 250 R HN 0.629 nan 8.270 nan 0.000 0.436 251 Q N 0.782 120.572 119.800 -0.017 0.000 2.079 251 Q HA -0.069 4.271 4.340 -0.000 0.000 0.200 251 Q C 1.937 177.856 176.000 -0.135 0.000 0.974 251 Q CA 1.948 57.709 55.803 -0.070 0.000 0.840 251 Q CB -0.209 28.474 28.738 -0.090 0.000 0.898 251 Q HN 0.322 nan 8.270 nan 0.000 0.430 252 A N 0.189 122.891 122.820 -0.198 0.000 1.902 252 A HA -0.133 4.187 4.320 -0.000 0.000 0.217 252 A C 2.130 179.639 177.584 -0.126 0.000 1.181 252 A CA 1.497 53.344 52.037 -0.316 0.000 0.623 252 A CB -0.737 17.964 19.000 -0.498 0.000 0.818 252 A HN 0.484 nan 8.150 nan 0.000 0.443 253 I N -0.431 120.133 120.570 -0.010 0.000 2.226 253 I HA -0.255 3.915 4.170 -0.000 0.000 0.245 253 I C 2.553 178.715 176.117 0.075 0.000 1.100 253 I CA 1.793 63.142 61.300 0.082 0.000 1.374 253 I CB -0.230 37.849 38.000 0.131 0.000 1.057 253 I HN 0.414 nan 8.210 nan 0.000 0.413 254 K N 0.612 121.029 120.400 0.030 0.000 2.026 254 K HA -0.212 4.108 4.320 -0.000 0.000 0.208 254 K C 2.343 178.930 176.600 -0.022 0.000 1.048 254 K CA 1.911 58.210 56.287 0.021 0.000 0.929 254 K CB -0.126 32.375 32.500 0.001 0.000 0.713 254 K HN 0.131 nan 8.250 nan 0.000 0.439 255 S N 0.751 116.405 115.700 -0.076 0.000 2.356 255 S HA -0.070 4.400 4.470 -0.000 0.000 0.223 255 S C 2.025 176.538 174.600 -0.145 0.000 1.032 255 S CA 0.979 59.112 58.200 -0.112 0.000 1.005 255 S CB -0.240 62.863 63.200 -0.162 0.000 0.867 255 S HN 0.368 nan 8.310 nan 0.000 0.449 256 L N 0.726 121.836 121.223 -0.188 0.000 2.083 256 L HA -0.098 4.242 4.340 -0.000 0.000 0.209 256 L C 2.764 179.358 176.870 -0.460 0.000 1.083 256 L CA 1.552 56.164 54.840 -0.379 0.000 0.752 256 L CB -0.990 40.815 42.059 -0.422 0.000 0.899 256 L HN 0.346 nan 8.230 nan 0.000 0.433 257 T N -1.029 113.453 114.554 -0.120 0.000 2.737 257 T HA -0.143 4.206 4.350 -0.000 0.000 0.265 257 T C 1.799 176.514 174.700 0.025 0.000 1.038 257 T CA 1.117 63.276 62.100 0.098 0.000 1.144 257 T CB -0.075 68.918 68.868 0.208 0.000 0.866 257 T HN 0.295 nan 8.240 nan 0.000 0.434 258 E N 1.219 121.412 120.200 -0.011 0.000 2.072 258 E HA -0.037 4.313 4.350 -0.000 0.000 0.191 258 E C 2.363 178.947 176.600 -0.026 0.000 0.985 258 E CA 0.987 57.382 56.400 -0.008 0.000 0.801 258 E CB -0.137 29.554 29.700 -0.015 0.000 0.750 258 E HN 0.471 nan 8.360 nan 0.000 0.452 259 R N -0.424 120.033 120.500 -0.072 0.000 2.223 259 R HA 0.093 4.433 4.340 -0.000 0.000 0.198 259 R C 1.849 178.091 176.300 -0.097 0.000 0.984 259 R CA 0.316 56.373 56.100 -0.071 0.000 1.018 259 R CB 0.251 30.501 30.300 -0.084 0.000 0.945 259 R HN 0.046 nan 8.270 nan 0.000 0.479 260 L N -2.238 118.886 121.223 -0.165 0.000 2.691 260 L HA 0.190 4.530 4.340 -0.000 0.000 0.185 260 L C 1.250 178.095 176.870 -0.040 0.000 1.081 260 L CA 0.723 55.461 54.840 -0.169 0.000 0.865 260 L CB -0.246 41.628 42.059 -0.310 0.000 1.370 260 L HN -0.143 nan 8.230 nan 0.000 0.488 261 Y N 1.498 121.819 120.300 0.036 0.000 2.224 261 Y HA -0.098 4.452 4.550 -0.000 0.000 0.289 261 Y C 2.534 178.449 175.900 0.024 0.000 1.146 261 Y CA 1.632 59.761 58.100 0.048 0.000 1.182 261 Y CB -1.193 37.319 38.460 0.088 0.000 0.983 261 Y HN 0.385 nan 8.280 nan 0.000 0.524 262 I N -2.638 118.027 120.570 0.158 0.000 2.546 262 I HA 0.302 4.472 4.170 -0.000 0.000 0.255 262 I C 1.125 177.264 176.117 0.035 0.000 1.163 262 I CA 1.144 62.496 61.300 0.088 0.000 1.457 262 I CB -0.382 37.661 38.000 0.072 0.000 1.092 262 I HN 0.121 nan 8.210 nan 0.000 0.434 263 G N -0.527 108.273 108.800 0.000 0.000 2.324 263 G HA2 0.488 4.448 3.960 -0.000 0.000 0.293 263 G HA3 0.488 4.448 3.960 -0.000 0.000 0.293 263 G C -0.874 173.882 174.900 -0.240 0.000 1.297 263 G CA -0.266 44.770 45.100 -0.107 0.000 0.853 263 G HN 0.758 nan 8.290 nan 0.000 0.535 264 G N -0.925 107.454 108.800 -0.703 0.000 2.328 264 G HA2 0.690 4.650 3.960 -0.000 0.000 0.299 264 G HA3 0.690 4.650 3.960 -0.000 0.000 0.299 264 G C -3.446 170.780 174.900 -1.123 0.000 1.435 264 G CA 0.132 44.758 45.100 -0.789 0.000 0.865 264 G HN 0.796 nan 8.290 nan 0.000 0.601 265 P HA 0.421 nan 4.420 nan 0.000 0.272 265 P C -0.543 176.645 177.300 -0.185 0.000 1.223 265 P CA -0.111 62.837 63.100 -0.254 0.000 0.784 265 P CB 1.183 32.883 31.700 0.000 0.000 0.923 266 L N 2.138 123.305 121.223 -0.093 0.000 2.305 266 L HA 0.433 4.772 4.340 -0.000 0.000 0.284 266 L C 0.439 177.311 176.870 0.003 0.000 1.013 266 L CA -0.230 54.588 54.840 -0.037 0.000 0.819 266 L CB 1.721 43.796 42.059 0.026 0.000 1.227 266 L HN 0.285 nan 8.230 nan 0.000 0.417 267 T N 1.474 116.010 114.554 -0.030 0.000 2.829 267 T HA 0.355 4.705 4.350 -0.000 0.000 0.280 267 T C -0.237 174.446 174.700 -0.029 0.000 0.999 267 T CA -0.825 61.261 62.100 -0.024 0.000 0.983 267 T CB 1.513 70.349 68.868 -0.053 0.000 0.968 267 T HN 0.631 nan 8.240 nan 0.000 0.446 268 N N 0.523 119.222 118.700 -0.002 0.000 2.413 268 N HA 0.156 4.896 4.740 -0.000 0.000 0.266 268 N C 1.430 176.932 175.510 -0.015 0.000 1.238 268 N CA -0.410 52.641 53.050 0.001 0.000 0.972 268 N CB 0.176 38.675 38.487 0.019 0.000 1.210 268 N HN 0.458 nan 8.380 nan 0.000 0.547 269 S N -0.854 114.846 115.700 0.001 0.000 2.440 269 S HA -0.163 4.306 4.470 -0.000 0.000 0.238 269 S C 1.095 175.691 174.600 -0.008 0.000 1.010 269 S CA 0.838 59.039 58.200 0.002 0.000 0.972 269 S CB -0.460 62.755 63.200 0.026 0.000 0.774 269 S HN 0.634 nan 8.310 nan 0.000 0.501 270 K N 0.529 120.926 120.400 -0.005 0.000 2.459 270 K HA 0.223 4.543 4.320 -0.000 0.000 0.193 270 K C 1.357 177.947 176.600 -0.016 0.000 1.030 270 K CA 0.430 56.713 56.287 -0.007 0.000 1.026 270 K CB -0.169 32.331 32.500 -0.000 0.000 0.809 270 K HN 0.584 nan 8.250 nan 0.000 0.504 271 G N 1.598 110.385 108.800 -0.022 0.000 2.175 271 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.244 271 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.244 271 G C -0.220 174.673 174.900 -0.013 0.000 0.982 271 G CA -0.184 44.899 45.100 -0.028 0.000 0.641 271 G HN 0.325 nan 8.290 nan 0.000 0.527 272 Q N 0.208 120.008 119.800 -0.000 0.000 2.259 272 Q HA 0.312 4.652 4.340 -0.000 0.000 0.246 272 Q C 0.339 176.354 176.000 0.025 0.000 0.920 272 Q CA -0.512 55.299 55.803 0.014 0.000 0.895 272 Q CB 0.924 29.674 28.738 0.020 0.000 1.220 272 Q HN 0.389 nan 8.270 nan 0.000 0.439 273 N N 1.367 120.088 118.700 0.035 0.000 2.420 273 N HA 0.017 4.757 4.740 -0.000 0.000 0.262 273 N C -0.230 175.331 175.510 0.084 0.000 1.144 273 N CA -0.379 52.702 53.050 0.052 0.000 0.952 273 N CB 0.584 39.103 38.487 0.053 0.000 1.081 273 N HN 0.593 nan 8.380 nan 0.000 0.480 274 C N 2.853 122.222 119.300 0.114 0.000 2.551 274 C HA 0.405 4.865 4.460 -0.000 0.000 0.277 274 C C 1.235 176.394 174.990 0.282 0.000 1.349 274 C CA 0.489 59.631 59.018 0.208 0.000 1.750 274 C CB -0.874 27.021 27.740 0.257 0.000 2.058 274 C HN 0.951 nan 8.230 nan 0.000 0.518 275 G N -1.565 107.322 108.800 0.145 0.000 2.398 275 G HA2 0.316 4.276 3.960 -0.000 0.000 0.251 275 G HA3 0.316 4.276 3.960 -0.000 0.000 0.251 275 G C -2.195 172.716 174.900 0.017 0.000 1.277 275 G CA -0.404 44.722 45.100 0.044 0.000 0.927 275 G HN 0.010 nan 8.290 nan 0.000 0.477 276 Y N 0.647 120.809 120.300 -0.229 0.000 2.492 276 Y HA 0.758 5.308 4.550 -0.001 0.000 0.346 276 Y C 0.100 175.862 175.900 -0.230 0.000 0.997 276 Y CA -0.868 57.128 58.100 -0.174 0.000 1.025 276 Y CB 2.027 40.405 38.460 -0.137 0.000 1.263 276 Y HN 0.687 nan 8.280 nan 0.000 0.454 277 R N 4.787 125.046 120.500 -0.402 0.000 2.407 277 R HA 0.517 4.857 4.340 -0.000 0.000 0.303 277 R C -0.533 175.590 176.300 -0.295 0.000 0.981 277 R CA -0.537 55.323 56.100 -0.401 0.000 0.905 277 R CB 0.849 30.969 30.300 -0.299 0.000 1.099 277 R HN 0.797 nan 8.270 nan 0.000 0.459 278 R N 3.228 123.534 120.500 -0.323 0.000 2.629 278 R HA 0.180 4.519 4.340 -0.000 0.000 0.408 278 R C -0.259 175.922 176.300 -0.198 0.000 1.057 278 R CA -0.056 55.956 56.100 -0.148 0.000 1.119 278 R CB 0.255 30.509 30.300 -0.077 0.000 1.403 278 R HN 0.787 nan 8.270 nan 0.000 0.576 279 C N -1.282 117.838 119.300 -0.301 0.000 3.301 279 C HA 0.676 5.136 4.460 -0.000 0.000 0.367 279 C C 0.232 175.160 174.990 -0.103 0.000 1.980 279 C CA -1.399 57.492 59.018 -0.212 0.000 1.349 279 C CB 1.240 28.797 27.740 -0.304 0.000 2.412 279 C HN 0.295 nan 8.230 nan 0.000 0.451 280 R N 1.170 121.658 120.500 -0.021 0.000 2.570 280 R HA 0.491 4.831 4.340 -0.000 0.000 0.277 280 R C -0.052 176.306 176.300 0.097 0.000 1.039 280 R CA 0.918 57.059 56.100 0.067 0.000 1.065 280 R CB -0.029 30.349 30.300 0.130 0.000 0.964 280 R HN 1.155 nan 8.270 nan 0.000 0.428 281 A N 3.372 126.267 122.820 0.125 0.000 2.328 281 A HA 0.262 4.582 4.320 -0.000 0.000 0.284 281 A C 0.908 178.599 177.584 0.177 0.000 1.160 281 A CA -0.023 52.109 52.037 0.159 0.000 0.818 281 A CB 0.652 19.757 19.000 0.174 0.000 1.087 281 A HN 1.012 nan 8.150 nan 0.000 0.504 282 S N 1.980 117.798 115.700 0.197 0.000 2.489 282 S HA 0.074 4.544 4.470 -0.000 0.000 0.228 282 S C 1.065 175.767 174.600 0.170 0.000 0.995 282 S CA 0.783 59.094 58.200 0.184 0.000 0.934 282 S CB 0.039 63.353 63.200 0.190 0.000 0.771 282 S HN 1.251 nan 8.310 nan 0.000 0.522 283 G N 1.881 110.804 108.800 0.205 0.000 4.486 283 G HA2 0.527 4.487 3.960 -0.000 0.000 0.306 283 G HA3 0.527 4.487 3.960 -0.000 0.000 0.306 283 G C -0.121 174.909 174.900 0.216 0.000 1.331 283 G CA -0.124 45.099 45.100 0.204 0.000 1.113 283 G HN 0.544 nan 8.290 nan 0.000 0.594 284 V N -2.418 117.611 119.914 0.191 0.000 3.103 284 V HA 0.580 4.700 4.120 -0.000 0.000 0.318 284 V C 1.375 177.560 176.094 0.151 0.000 1.114 284 V CA -0.967 61.465 62.300 0.220 0.000 1.020 284 V CB 1.669 33.681 31.823 0.315 0.000 1.085 284 V HN 0.070 nan 8.190 nan 0.000 0.446 285 L N 1.977 123.302 121.223 0.171 0.000 2.131 285 L HA -0.029 4.310 4.340 -0.000 0.000 0.210 285 L C 2.283 179.181 176.870 0.047 0.000 1.092 285 L CA 2.973 57.895 54.840 0.135 0.000 0.759 285 L CB -0.674 41.490 42.059 0.176 0.000 0.903 285 L HN 1.083 nan 8.230 nan 0.000 0.435 286 T N -5.778 108.733 114.554 -0.071 0.000 3.129 286 T HA 0.001 4.350 4.350 -0.000 0.000 0.251 286 T C 1.554 176.211 174.700 -0.072 0.000 1.117 286 T CA 0.726 62.734 62.100 -0.154 0.000 1.034 286 T CB -0.732 67.881 68.868 -0.425 0.000 0.968 286 T HN 0.275 nan 8.240 nan 0.000 0.526 287 T N 1.931 116.476 114.554 -0.015 0.000 2.652 287 T HA -0.155 4.195 4.350 -0.000 0.000 0.267 287 T C 2.204 176.937 174.700 0.055 0.000 1.039 287 T CA 1.782 63.909 62.100 0.044 0.000 1.153 287 T CB -0.654 68.263 68.868 0.081 0.000 0.863 287 T HN 0.540 nan 8.240 nan 0.000 0.428 288 S N -0.235 115.476 115.700 0.018 0.000 2.345 288 S HA -0.146 4.323 4.470 -0.000 0.000 0.220 288 S C 2.454 177.090 174.600 0.060 0.000 1.031 288 S CA 1.386 59.593 58.200 0.011 0.000 0.996 288 S CB -0.963 62.145 63.200 -0.153 0.000 0.882 288 S HN 0.666 nan 8.310 nan 0.000 0.445 289 C N 1.329 120.638 119.300 0.014 0.000 2.413 289 C HA 0.068 4.527 4.460 -0.000 0.000 0.276 289 C C 2.791 177.838 174.990 0.094 0.000 1.248 289 C CA 1.162 60.206 59.018 0.043 0.000 1.742 289 C CB -1.814 25.923 27.740 -0.005 0.000 2.017 289 C HN 0.721 nan 8.230 nan 0.000 0.481 290 G N 0.354 109.216 108.800 0.103 0.000 2.404 290 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.215 290 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.215 290 G C 1.524 176.513 174.900 0.149 0.000 1.174 290 G CA 0.988 46.156 45.100 0.113 0.000 0.780 290 G HN 0.579 nan 8.290 nan 0.000 0.537 291 N N 0.507 119.305 118.700 0.162 0.000 2.120 291 N HA -0.082 4.658 4.740 -0.000 0.000 0.188 291 N C 2.408 177.957 175.510 0.064 0.000 1.024 291 N CA 1.635 54.791 53.050 0.176 0.000 0.852 291 N CB -0.765 37.738 38.487 0.026 0.000 1.003 291 N HN 0.242 nan 8.380 nan 0.000 0.424 292 T N 1.740 116.345 114.554 0.086 0.000 2.708 292 T HA -0.023 4.327 4.350 -0.000 0.000 0.266 292 T C 2.136 176.912 174.700 0.127 0.000 1.037 292 T CA 0.748 62.914 62.100 0.109 0.000 1.146 292 T CB -0.294 68.713 68.868 0.230 0.000 0.865 292 T HN 0.135 nan 8.240 nan 0.000 0.435 293 L N 0.614 121.896 121.223 0.098 0.000 2.056 293 L HA -0.101 4.239 4.340 -0.000 0.000 0.207 293 L C 2.948 179.906 176.870 0.146 0.000 1.078 293 L CA 1.209 56.096 54.840 0.079 0.000 0.749 293 L CB -1.016 41.046 42.059 0.006 0.000 0.901 293 L HN 0.274 nan 8.230 nan 0.000 0.433 294 T N -1.389 113.269 114.554 0.174 0.000 2.821 294 T HA -0.219 4.131 4.350 -0.000 0.000 0.267 294 T C 2.016 176.902 174.700 0.310 0.000 1.046 294 T CA 1.395 63.633 62.100 0.230 0.000 1.139 294 T CB -0.427 68.618 68.868 0.295 0.000 0.871 294 T HN 0.452 nan 8.240 nan 0.000 0.454 295 C N 0.652 120.158 119.300 0.343 0.000 2.446 295 C HA -0.067 4.393 4.460 -0.000 0.000 0.277 295 C C 2.388 177.507 174.990 0.215 0.000 1.275 295 C CA 0.412 59.610 59.018 0.301 0.000 1.727 295 C CB -1.400 26.381 27.740 0.068 0.000 2.010 295 C HN 0.647 nan 8.230 nan 0.000 0.486 296 Y N 1.139 121.482 120.300 0.072 0.000 2.165 296 Y HA -0.135 4.415 4.550 -0.000 0.000 0.286 296 Y C 2.162 178.067 175.900 0.009 0.000 1.155 296 Y CA 2.155 60.279 58.100 0.039 0.000 1.164 296 Y CB -0.604 37.866 38.460 0.017 0.000 0.978 296 Y HN 0.345 nan 8.280 nan 0.000 0.513 297 L N 0.967 122.226 121.223 0.060 0.000 1.994 297 L HA -0.179 4.161 4.340 -0.000 0.000 0.208 297 L C 2.131 178.881 176.870 -0.200 0.000 1.071 297 L CA 2.003 56.767 54.840 -0.127 0.000 0.745 297 L CB -0.902 41.077 42.059 -0.134 0.000 0.892 297 L HN 0.141 nan 8.230 nan 0.000 0.431 298 K N -0.452 119.905 120.400 -0.072 0.000 2.025 298 K HA -0.067 4.253 4.320 -0.000 0.000 0.207 298 K C 2.095 178.679 176.600 -0.025 0.000 1.049 298 K CA 1.368 57.618 56.287 -0.061 0.000 0.933 298 K CB -0.444 32.122 32.500 0.110 0.000 0.714 298 K HN 0.488 nan 8.250 nan 0.000 0.438 299 A N 1.069 123.881 122.820 -0.012 0.000 1.933 299 A HA -0.139 4.181 4.320 -0.000 0.000 0.218 299 A C 2.208 179.802 177.584 0.018 0.000 1.175 299 A CA 1.779 53.837 52.037 0.035 0.000 0.628 299 A CB -0.476 18.614 19.000 0.150 0.000 0.814 299 A HN 0.170 nan 8.150 nan 0.000 0.444 300 S N -0.074 115.517 115.700 -0.182 0.000 2.368 300 S HA -0.018 4.452 4.470 -0.000 0.000 0.224 300 S C 2.307 176.840 174.600 -0.111 0.000 1.029 300 S CA 1.142 59.202 58.200 -0.233 0.000 0.988 300 S CB -0.440 62.457 63.200 -0.505 0.000 0.838 300 S HN 0.789 nan 8.310 nan 0.000 0.462 301 A N 1.513 124.274 122.820 -0.098 0.000 1.930 301 A HA 0.164 4.483 4.320 -0.000 0.000 0.217 301 A C 2.320 179.947 177.584 0.070 0.000 1.175 301 A CA 1.588 53.629 52.037 0.006 0.000 0.627 301 A CB -0.975 18.017 19.000 -0.012 0.000 0.815 301 A HN 0.508 nan 8.150 nan 0.000 0.443 302 A N -1.246 121.626 122.820 0.087 0.000 2.015 302 A HA -0.114 4.206 4.320 -0.000 0.000 0.219 302 A C 2.216 179.834 177.584 0.057 0.000 1.163 302 A CA 1.518 53.496 52.037 -0.098 0.000 0.646 302 A CB -1.109 17.478 19.000 -0.688 0.000 0.806 302 A HN 0.582 nan 8.150 nan 0.000 0.448 303 C N -0.906 118.510 119.300 0.192 0.000 2.446 303 C HA -0.046 4.414 4.460 -0.000 0.000 0.277 303 C C 2.878 177.885 174.990 0.029 0.000 1.275 303 C CA 1.015 60.169 59.018 0.227 0.000 1.727 303 C CB -1.192 26.633 27.740 0.142 0.000 2.010 303 C HN 0.618 nan 8.230 nan 0.000 0.486 304 R N 1.077 121.505 120.500 -0.120 0.000 2.075 304 R HA -0.043 4.297 4.340 -0.000 0.000 0.232 304 R C 2.380 178.409 176.300 -0.451 0.000 1.126 304 R CA 1.508 57.417 56.100 -0.318 0.000 0.963 304 R CB -0.501 29.493 30.300 -0.509 0.000 0.858 304 R HN 0.508 nan 8.270 nan 0.000 0.435 305 A N 1.241 123.801 122.820 -0.433 0.000 1.969 305 A HA -0.026 4.293 4.320 -0.000 0.000 0.218 305 A C 2.184 179.739 177.584 -0.048 0.000 1.169 305 A CA 1.553 53.480 52.037 -0.183 0.000 0.635 305 A CB -0.345 18.636 19.000 -0.033 0.000 0.810 305 A HN 0.374 nan 8.150 nan 0.000 0.445 306 A N -1.270 121.543 122.820 -0.012 0.000 2.251 306 A HA 0.271 4.591 4.320 -0.000 0.000 0.209 306 A C 0.968 178.568 177.584 0.028 0.000 1.187 306 A CA 0.673 52.736 52.037 0.044 0.000 0.823 306 A CB -0.403 18.687 19.000 0.151 0.000 0.846 306 A HN 0.464 nan 8.150 nan 0.000 0.486 307 K N -1.227 119.173 120.400 -0.000 0.000 3.096 307 K HA -0.162 4.158 4.320 -0.000 0.000 0.266 307 K C -0.972 175.635 176.600 0.011 0.000 1.043 307 K CA 0.154 56.442 56.287 0.002 0.000 0.758 307 K CB -1.789 30.717 32.500 0.011 0.000 1.260 307 K HN 0.335 nan 8.250 nan 0.000 0.481 308 L N 1.665 122.902 121.223 0.024 0.000 2.453 308 L HA 0.007 4.346 4.340 -0.000 0.000 0.272 308 L C 1.007 177.881 176.870 0.006 0.000 1.182 308 L CA 0.890 55.744 54.840 0.023 0.000 0.858 308 L CB 0.574 42.660 42.059 0.044 0.000 1.120 308 L HN 0.090 nan 8.230 nan 0.000 0.474 309 Q N 3.160 122.958 119.800 -0.003 0.000 2.274 309 Q HA 0.074 4.414 4.340 -0.000 0.000 0.256 309 Q C -0.035 175.950 176.000 -0.025 0.000 0.927 309 Q CA -0.319 55.476 55.803 -0.013 0.000 0.939 309 Q CB 0.834 29.562 28.738 -0.017 0.000 1.201 309 Q HN 0.547 nan 8.270 nan 0.000 0.426 310 D N 1.314 121.700 120.400 -0.023 0.000 2.740 310 D HA -0.184 4.456 4.640 -0.000 0.000 0.231 310 D C -0.489 175.787 176.300 -0.041 0.000 1.194 310 D CA 0.345 54.326 54.000 -0.032 0.000 0.673 310 D CB -0.693 40.079 40.800 -0.046 0.000 0.995 310 D HN 0.678 nan 8.370 nan 0.000 0.411 311 C N -0.078 119.206 119.300 -0.027 0.000 2.463 311 C HA 0.800 5.260 4.460 -0.000 0.000 0.380 311 C C 0.611 175.586 174.990 -0.025 0.000 1.264 311 C CA -0.553 58.444 59.018 -0.035 0.000 2.161 311 C CB 1.262 28.990 27.740 -0.019 0.000 2.515 311 C HN 0.395 nan 8.230 nan 0.000 0.565 312 T N 4.972 119.501 114.554 -0.041 0.000 2.824 312 T HA 0.571 4.921 4.350 -0.000 0.000 0.282 312 T C -0.338 174.366 174.700 0.007 0.000 0.993 312 T CA -0.201 61.900 62.100 0.002 0.000 0.967 312 T CB 1.286 70.128 68.868 -0.043 0.000 0.960 312 T HN 0.778 nan 8.240 nan 0.000 0.441 313 M N 2.792 122.447 119.600 0.091 0.000 2.578 313 M HA 0.671 5.150 4.480 -0.000 0.000 0.321 313 M C -1.393 175.022 176.300 0.191 0.000 1.182 313 M CA -1.081 54.270 55.300 0.085 0.000 0.965 313 M CB 2.015 34.665 32.600 0.084 0.000 1.694 313 M HN 0.326 nan 8.290 nan 0.000 0.461 314 L N 2.652 123.947 121.223 0.121 0.000 2.446 314 L HA 0.629 4.969 4.340 -0.000 0.000 0.268 314 L C -1.627 175.251 176.870 0.013 0.000 0.975 314 L CA -0.424 54.488 54.840 0.119 0.000 0.848 314 L CB 1.776 43.927 42.059 0.154 0.000 1.225 314 L HN 0.459 nan 8.230 nan 0.000 0.410 315 V N 4.063 123.969 119.914 -0.014 0.000 2.495 315 V HA 0.606 4.726 4.120 -0.000 0.000 0.298 315 V C -0.635 175.286 176.094 -0.288 0.000 1.031 315 V CA -0.619 61.642 62.300 -0.066 0.000 0.871 315 V CB 1.951 33.823 31.823 0.083 0.000 0.988 315 V HN 0.785 nan 8.190 nan 0.000 0.432 316 N N 3.414 121.885 118.700 -0.381 0.000 2.664 316 N HA 0.600 5.340 4.740 -0.000 0.000 0.257 316 N C 0.553 175.885 175.510 -0.297 0.000 1.108 316 N CA 0.546 53.124 53.050 -0.787 0.000 0.822 316 N CB 1.700 39.627 38.487 -0.934 0.000 1.199 316 N HN 1.085 nan 8.380 nan 0.000 0.529 317 G N 2.301 111.095 108.800 -0.010 0.000 2.596 317 G HA2 -0.399 3.561 3.960 -0.000 0.000 0.304 317 G HA3 -0.399 3.561 3.960 -0.000 0.000 0.304 317 G C 0.524 175.290 174.900 -0.224 0.000 1.189 317 G CA 0.765 45.887 45.100 0.037 0.000 0.986 317 G HN 0.611 nan 8.290 nan 0.000 0.548 318 D N 1.237 121.451 120.400 -0.310 0.000 2.339 318 D HA 0.102 4.742 4.640 -0.000 0.000 0.217 318 D C 0.318 176.485 176.300 -0.222 0.000 1.050 318 D CA 0.731 54.377 54.000 -0.590 0.000 0.856 318 D CB -0.064 40.419 40.800 -0.528 0.000 0.922 318 D HN 0.422 nan 8.370 nan 0.000 0.518 319 D N 0.736 121.060 120.400 -0.126 0.000 2.277 319 D HA 0.331 4.971 4.640 -0.000 0.000 0.249 319 D C -0.936 175.337 176.300 -0.046 0.000 1.134 319 D CA -0.497 53.470 54.000 -0.055 0.000 0.863 319 D CB 1.371 42.132 40.800 -0.065 0.000 1.143 319 D HN 0.071 nan 8.370 nan 0.000 0.458 320 L N 4.683 125.922 121.223 0.026 0.000 2.431 320 L HA 0.552 4.892 4.340 -0.000 0.000 0.266 320 L C -1.869 174.989 176.870 -0.019 0.000 0.978 320 L CA -0.689 54.170 54.840 0.032 0.000 0.822 320 L CB 2.002 44.142 42.059 0.134 0.000 1.310 320 L HN 0.155 nan 8.230 nan 0.000 0.409 321 V N 5.589 125.445 119.914 -0.096 0.000 2.760 321 V HA 0.816 4.936 4.120 -0.000 0.000 0.309 321 V C -1.549 174.359 176.094 -0.310 0.000 1.077 321 V CA -0.327 61.849 62.300 -0.208 0.000 0.910 321 V CB 2.367 34.114 31.823 -0.127 0.000 1.008 321 V HN 0.623 nan 8.190 nan 0.000 0.424 322 V N 7.605 127.140 119.914 -0.630 0.000 2.588 322 V HA 0.597 4.717 4.120 -0.000 0.000 0.304 322 V C -0.371 175.466 176.094 -0.428 0.000 1.042 322 V CA -0.467 61.468 62.300 -0.608 0.000 0.877 322 V CB 1.828 33.048 31.823 -1.005 0.000 0.996 322 V HN 0.758 nan 8.190 nan 0.000 0.425 323 I N 4.847 125.295 120.570 -0.204 0.000 2.436 323 I HA 0.696 4.866 4.170 -0.000 0.000 0.289 323 I C -0.062 175.982 176.117 -0.122 0.000 1.010 323 I CA -0.304 60.930 61.300 -0.110 0.000 1.098 323 I CB 1.686 39.658 38.000 -0.046 0.000 1.266 323 I HN 0.918 nan 8.210 nan 0.000 0.434 324 C N 2.674 121.902 119.300 -0.121 0.000 3.311 324 C HA 0.566 5.026 4.460 -0.000 0.000 0.366 324 C C -0.741 174.168 174.990 -0.136 0.000 1.694 324 C CA -0.885 58.072 59.018 -0.102 0.000 1.244 324 C CB 1.852 29.570 27.740 -0.036 0.000 2.038 324 C HN 0.608 nan 8.230 nan 0.000 0.436 325 E N 1.851 121.994 120.200 -0.095 0.000 2.194 325 E HA 0.347 4.697 4.350 -0.000 0.000 0.284 325 E C 0.042 176.613 176.600 -0.048 0.000 1.035 325 E CA 0.435 56.779 56.400 -0.093 0.000 0.836 325 E CB 1.763 31.420 29.700 -0.072 0.000 1.070 325 E HN 0.698 nan 8.360 nan 0.000 0.401 326 S N 1.789 117.469 115.700 -0.033 0.000 2.584 326 S HA 0.315 4.784 4.470 -0.000 0.000 0.270 326 S C 0.442 175.053 174.600 0.018 0.000 1.346 326 S CA 0.274 58.500 58.200 0.043 0.000 1.018 326 S CB 0.653 63.940 63.200 0.145 0.000 0.899 326 S HN 0.546 nan 8.310 nan 0.000 0.542 327 A N 2.146 124.985 122.820 0.032 0.000 2.624 327 A HA 0.659 4.979 4.320 -0.000 0.000 0.287 327 A C 0.691 178.279 177.584 0.006 0.000 1.087 327 A CA 0.280 52.322 52.037 0.008 0.000 0.964 327 A CB -0.510 18.493 19.000 0.005 0.000 1.231 327 A HN 1.957 nan 8.150 nan 0.000 0.551 328 G N -1.616 107.192 108.800 0.015 0.000 2.650 328 G HA2 0.134 4.094 3.960 -0.000 0.000 0.686 328 G HA3 0.134 4.094 3.960 -0.000 0.000 0.686 328 G C 0.642 175.561 174.900 0.032 0.000 1.205 328 G CA -0.039 45.050 45.100 -0.019 0.000 0.781 328 G HN 1.183 nan 8.290 nan 0.000 0.648 329 V N 0.902 120.816 119.914 0.001 0.000 2.324 329 V HA -0.216 3.903 4.120 -0.000 0.000 0.250 329 V C 2.584 178.716 176.094 0.063 0.000 1.060 329 V CA 3.457 65.808 62.300 0.086 0.000 1.042 329 V CB -0.347 31.496 31.823 0.033 0.000 0.650 329 V HN 0.905 nan 8.190 nan 0.000 0.450 330 Q N -1.034 118.780 119.800 0.024 0.000 2.046 330 Q HA -0.192 4.148 4.340 -0.000 0.000 0.200 330 Q C 2.286 178.294 176.000 0.013 0.000 0.975 330 Q CA 1.833 57.645 55.803 0.015 0.000 0.836 330 Q CB -0.099 28.640 28.738 0.003 0.000 0.896 330 Q HN 0.682 nan 8.270 nan 0.000 0.428 331 E N 0.718 120.926 120.200 0.013 0.000 2.106 331 E HA -0.162 4.188 4.350 -0.000 0.000 0.192 331 E C 1.646 178.251 176.600 0.008 0.000 0.984 331 E CA 1.016 57.420 56.400 0.008 0.000 0.806 331 E CB -0.079 29.625 29.700 0.007 0.000 0.750 331 E HN 0.441 nan 8.360 nan 0.000 0.458 332 D N 0.782 121.200 120.400 0.029 0.000 2.117 332 D HA -0.095 4.545 4.640 -0.000 0.000 0.198 332 D C 1.852 178.129 176.300 -0.037 0.000 0.982 332 D CA 1.349 55.356 54.000 0.013 0.000 0.828 332 D CB -0.227 40.626 40.800 0.089 0.000 0.967 332 D HN 0.137 nan 8.370 nan 0.000 0.464 333 A N 0.934 123.748 122.820 -0.010 0.000 1.933 333 A HA -0.014 4.306 4.320 -0.000 0.000 0.218 333 A C 2.283 179.845 177.584 -0.036 0.000 1.175 333 A CA 2.008 54.027 52.037 -0.031 0.000 0.628 333 A CB -0.542 18.457 19.000 -0.002 0.000 0.814 333 A HN 0.234 nan 8.150 nan 0.000 0.444 334 A N -0.749 122.059 122.820 -0.021 0.000 1.898 334 A HA -0.017 4.303 4.320 -0.000 0.000 0.216 334 A C 2.439 180.010 177.584 -0.021 0.000 1.181 334 A CA 1.887 53.914 52.037 -0.016 0.000 0.620 334 A CB -0.812 18.183 19.000 -0.007 0.000 0.819 334 A HN 0.424 nan 8.150 nan 0.000 0.442 335 S N 0.020 115.701 115.700 -0.031 0.000 2.356 335 S HA -0.095 4.375 4.470 -0.000 0.000 0.223 335 S C 1.831 176.398 174.600 -0.054 0.000 1.032 335 S CA 1.431 59.612 58.200 -0.031 0.000 1.005 335 S CB -0.440 62.737 63.200 -0.039 0.000 0.867 335 S HN 0.505 nan 8.310 nan 0.000 0.449 336 L N 0.559 121.689 121.223 -0.154 0.000 2.083 336 L HA -0.086 4.253 4.340 -0.000 0.000 0.209 336 L C 2.700 179.554 176.870 -0.028 0.000 1.083 336 L CA 1.199 55.894 54.840 -0.241 0.000 0.752 336 L CB -0.470 41.349 42.059 -0.400 0.000 0.899 336 L HN 0.237 nan 8.230 nan 0.000 0.433 337 R N 0.043 120.531 120.500 -0.019 0.000 2.081 337 R HA -0.133 4.207 4.340 -0.000 0.000 0.235 337 R C 2.436 178.750 176.300 0.024 0.000 1.131 337 R CA 1.556 57.664 56.100 0.012 0.000 0.960 337 R CB -0.324 29.974 30.300 -0.003 0.000 0.856 337 R HN 0.351 nan 8.270 nan 0.000 0.436 338 A N -0.205 122.627 122.820 0.020 0.000 1.930 338 A HA -0.182 4.138 4.320 -0.000 0.000 0.217 338 A C 1.975 179.567 177.584 0.013 0.000 1.175 338 A CA 1.141 53.182 52.037 0.007 0.000 0.627 338 A CB -0.670 18.337 19.000 0.012 0.000 0.815 338 A HN 0.456 nan 8.150 nan 0.000 0.443 339 F N 1.251 121.149 119.950 -0.087 0.000 2.102 339 F HA -0.142 4.385 4.527 -0.001 0.000 0.298 339 F C 2.449 178.190 175.800 -0.099 0.000 1.105 339 F CA 2.282 60.227 58.000 -0.093 0.000 1.239 339 F CB -0.526 38.413 39.000 -0.101 0.000 0.991 339 F HN 0.194 nan 8.300 nan 0.000 0.474 340 T N -0.079 114.544 114.554 0.115 0.000 2.821 340 T HA -0.177 4.173 4.350 -0.000 0.000 0.267 340 T C 1.709 176.388 174.700 -0.035 0.000 1.046 340 T CA 1.700 63.873 62.100 0.121 0.000 1.139 340 T CB -0.308 68.711 68.868 0.251 0.000 0.871 340 T HN 0.368 nan 8.240 nan 0.000 0.454 341 E N 0.890 121.049 120.200 -0.067 0.000 2.077 341 E HA -0.043 4.307 4.350 -0.000 0.000 0.193 341 E C 2.514 178.975 176.600 -0.231 0.000 0.989 341 E CA 0.962 57.296 56.400 -0.111 0.000 0.800 341 E CB -0.184 29.466 29.700 -0.084 0.000 0.746 341 E HN 0.474 nan 8.360 nan 0.000 0.452 342 A N 1.047 123.674 122.820 -0.321 0.000 1.873 342 A HA -0.182 4.138 4.320 -0.000 0.000 0.215 342 A C 2.131 179.280 177.584 -0.725 0.000 1.186 342 A CA 1.210 52.910 52.037 -0.561 0.000 0.616 342 A CB -0.309 18.407 19.000 -0.475 0.000 0.823 342 A HN 0.121 nan 8.150 nan 0.000 0.442 343 M N -0.129 119.168 119.600 -0.504 0.000 2.149 343 M HA -0.122 4.358 4.480 -0.000 0.000 0.261 343 M C 2.168 178.395 176.300 -0.122 0.000 1.064 343 M CA 2.057 57.187 55.300 -0.284 0.000 1.102 343 M CB -1.986 30.376 32.600 -0.396 0.000 1.369 343 M HN 0.454 nan 8.290 nan 0.000 0.408 344 T N 0.063 114.541 114.554 -0.127 0.000 2.746 344 T HA -0.111 4.239 4.350 -0.000 0.000 0.267 344 T C 1.976 176.606 174.700 -0.116 0.000 1.039 344 T CA 1.104 63.162 62.100 -0.069 0.000 1.142 344 T CB -0.179 68.655 68.868 -0.058 0.000 0.866 344 T HN 0.383 nan 8.240 nan 0.000 0.444 345 R N 0.047 120.405 120.500 -0.237 0.000 2.120 345 R HA -0.062 4.278 4.340 -0.000 0.000 0.234 345 R C 1.645 177.860 176.300 -0.141 0.000 1.123 345 R CA 1.135 57.090 56.100 -0.241 0.000 0.975 345 R CB -0.289 29.791 30.300 -0.366 0.000 0.866 345 R HN 0.444 nan 8.270 nan 0.000 0.446 346 Y N 0.037 120.275 120.300 -0.103 0.000 2.502 346 Y HA 0.102 4.652 4.550 0.000 0.000 0.295 346 Y C 0.851 176.699 175.900 -0.088 0.000 1.193 346 Y CA -0.341 57.690 58.100 -0.116 0.000 1.295 346 Y CB -0.156 38.264 38.460 -0.066 0.000 1.059 346 Y HN -0.046 nan 8.280 nan 0.000 0.514 347 S N -0.093 115.640 115.700 0.056 0.000 3.968 347 S HA -0.104 4.365 4.470 -0.000 0.000 0.373 347 S C -0.012 174.607 174.600 0.032 0.000 0.974 347 S CA 0.458 58.675 58.200 0.028 0.000 1.124 347 S CB -1.414 61.791 63.200 0.009 0.000 0.862 347 S HN 0.717 nan 8.310 nan 0.000 0.492 348 A N 1.785 124.647 122.820 0.070 0.000 3.415 348 A HA 0.565 4.884 4.320 -0.000 0.000 0.244 348 A C -2.184 175.532 177.584 0.220 0.000 0.988 348 A CA -0.668 51.447 52.037 0.131 0.000 0.991 348 A CB 0.824 19.942 19.000 0.196 0.000 1.240 348 A HN 0.461 nan 8.150 nan 0.000 0.541 349 P HA 0.246 nan 4.420 nan 0.000 0.269 349 P C -2.919 174.443 177.300 0.104 0.000 1.215 349 P CA -0.782 62.377 63.100 0.099 0.000 0.780 349 P CB 0.565 32.251 31.700 -0.024 0.000 0.898 350 P HA 0.136 nan 4.420 nan 0.000 0.284 350 P C 0.651 177.885 177.300 -0.110 0.000 1.258 350 P CA -0.108 62.877 63.100 -0.192 0.000 0.824 350 P CB 1.191 32.718 31.700 -0.288 0.000 1.038 351 G N 1.850 110.581 108.800 -0.115 0.000 2.473 351 G HA2 0.002 3.961 3.960 -0.000 0.000 0.212 351 G HA3 0.002 3.961 3.960 -0.000 0.000 0.212 351 G C -0.020 174.842 174.900 -0.063 0.000 1.211 351 G CA 0.307 45.373 45.100 -0.057 0.000 0.813 351 G HN 0.462 nan 8.290 nan 0.000 0.541 352 D N 1.651 122.004 120.400 -0.079 0.000 2.256 352 D HA 0.326 4.965 4.640 -0.000 0.000 0.240 352 D C -2.333 173.924 176.300 -0.072 0.000 1.062 352 D CA -1.163 52.803 54.000 -0.057 0.000 0.832 352 D CB 1.895 42.671 40.800 -0.040 0.000 1.135 352 D HN 0.092 nan 8.370 nan 0.000 0.484 353 P HA 0.069 nan 4.420 nan 0.000 0.262 353 P C -2.401 174.895 177.300 -0.005 0.000 1.182 353 P CA -0.814 62.274 63.100 -0.020 0.000 0.761 353 P CB -0.207 31.489 31.700 -0.007 0.000 0.795 354 P HA 0.138 nan 4.420 nan 0.000 0.271 354 P C -0.677 176.623 177.300 0.001 0.000 1.216 354 P CA 0.179 63.320 63.100 0.068 0.000 0.771 354 P CB 0.893 32.701 31.700 0.180 0.000 0.864 355 Q N 3.378 123.191 119.800 0.022 0.000 2.337 355 Q HA 0.410 4.749 4.340 -0.000 0.000 0.270 355 Q C -2.347 173.645 176.000 -0.013 0.000 1.043 355 Q CA -2.189 53.610 55.803 -0.008 0.000 0.794 355 Q CB 2.438 31.184 28.738 0.014 0.000 1.281 355 Q HN 0.409 nan 8.270 nan 0.000 0.446 356 P HA 0.079 nan 4.420 nan 0.000 0.276 356 P C -0.830 176.310 177.300 -0.266 0.000 1.230 356 P CA -0.051 62.952 63.100 -0.162 0.000 0.776 356 P CB 1.139 32.727 31.700 -0.188 0.000 0.888 357 E N 2.304 122.324 120.200 -0.299 0.000 2.227 357 E HA 0.245 4.595 4.350 -0.000 0.000 0.268 357 E C -0.472 175.914 176.600 -0.357 0.000 0.907 357 E CA -0.515 55.746 56.400 -0.231 0.000 0.786 357 E CB 1.356 31.035 29.700 -0.037 0.000 1.191 357 E HN 0.449 nan 8.360 nan 0.000 0.411 358 Y N -0.434 120.012 120.300 0.243 0.000 2.588 358 Y HA 0.179 4.729 4.550 -0.000 0.000 0.247 358 Y C 0.205 176.345 175.900 0.399 0.000 1.157 358 Y CA -0.435 57.868 58.100 0.338 0.000 1.215 358 Y CB 1.059 39.622 38.460 0.171 0.000 1.245 358 Y HN 0.241 nan 8.280 nan 0.000 0.534 359 D N 0.595 121.145 120.400 0.249 0.000 2.471 359 D HA 0.121 4.761 4.640 -0.000 0.000 0.245 359 D C 0.760 176.852 176.300 -0.346 0.000 1.116 359 D CA -0.275 53.735 54.000 0.016 0.000 0.853 359 D CB 1.750 42.568 40.800 0.029 0.000 1.123 359 D HN 0.120 nan 8.370 nan 0.000 0.540 360 L N 5.027 125.734 121.223 -0.860 0.000 2.043 360 L HA -0.164 4.176 4.340 -0.000 0.000 0.212 360 L C 2.110 178.668 176.870 -0.519 0.000 1.075 360 L CA 2.249 56.421 54.840 -1.114 0.000 0.752 360 L CB -0.561 40.646 42.059 -1.420 0.000 0.891 360 L HN 0.677 nan 8.230 nan 0.000 0.432 361 E N -0.804 119.192 120.200 -0.340 0.000 2.209 361 E HA -0.236 4.114 4.350 -0.000 0.000 0.196 361 E C 1.858 178.371 176.600 -0.146 0.000 0.993 361 E CA 1.452 57.733 56.400 -0.198 0.000 0.819 361 E CB -0.590 29.038 29.700 -0.119 0.000 0.745 361 E HN 0.617 nan 8.360 nan 0.000 0.477 362 L N 0.963 122.103 121.223 -0.139 0.000 2.599 362 L HA 0.215 4.555 4.340 -0.000 0.000 0.230 362 L C 0.926 177.748 176.870 -0.080 0.000 1.141 362 L CA -0.043 54.749 54.840 -0.081 0.000 0.877 362 L CB -0.080 41.954 42.059 -0.041 0.000 1.009 362 L HN 0.139 nan 8.230 nan 0.000 0.447 363 I N 0.415 120.909 120.570 -0.126 0.000 2.337 363 I HA 0.065 4.235 4.170 -0.000 0.000 0.291 363 I C 0.038 176.109 176.117 -0.077 0.000 1.046 363 I CA 0.180 61.423 61.300 -0.096 0.000 1.324 363 I CB 1.086 39.008 38.000 -0.130 0.000 1.409 363 I HN -0.087 nan 8.210 nan 0.000 0.494 364 T N 5.221 119.750 114.554 -0.042 0.000 2.753 364 T HA 0.354 4.703 4.350 -0.000 0.000 0.297 364 T C -0.065 174.626 174.700 -0.015 0.000 0.981 364 T CA -0.559 61.525 62.100 -0.026 0.000 0.956 364 T CB 0.638 69.496 68.868 -0.015 0.000 0.936 364 T HN 0.705 nan 8.240 nan 0.000 0.463 365 S N 1.343 117.033 115.700 -0.016 0.000 2.538 365 S HA 0.465 4.935 4.470 -0.000 0.000 0.288 365 S C 0.317 174.918 174.600 0.003 0.000 1.108 365 S CA -0.762 57.429 58.200 -0.016 0.000 0.971 365 S CB 0.993 64.168 63.200 -0.041 0.000 1.041 365 S HN 0.868 nan 8.310 nan 0.000 0.483 366 C N 2.440 121.743 119.300 0.005 0.000 4.497 366 C HA -0.191 4.268 4.460 -0.000 0.000 0.292 366 C C 1.250 176.294 174.990 0.089 0.000 1.366 366 C CA 0.856 59.893 59.018 0.031 0.000 1.987 366 C CB -3.034 24.710 27.740 0.008 0.000 1.241 366 C HN 1.806 nan 8.230 nan 0.000 0.788 367 S N -0.969 114.772 115.700 0.068 0.000 3.358 367 S HA -0.201 4.269 4.470 -0.000 0.000 0.309 367 S C 0.240 174.889 174.600 0.082 0.000 1.247 367 S CA 1.344 59.587 58.200 0.071 0.000 0.961 367 S CB -0.907 62.350 63.200 0.096 0.000 1.074 367 S HN 1.118 nan 8.310 nan 0.000 0.625 368 S N 1.507 117.264 115.700 0.094 0.000 2.667 368 S HA 0.804 5.274 4.470 -0.000 0.000 0.292 368 S C -0.494 174.133 174.600 0.046 0.000 1.126 368 S CA -0.899 57.373 58.200 0.121 0.000 0.881 368 S CB 1.899 65.254 63.200 0.257 0.000 1.132 368 S HN 0.584 nan 8.310 nan 0.000 0.492 369 N N -0.877 117.840 118.700 0.028 0.000 2.494 369 N HA 0.400 5.140 4.740 -0.000 0.000 0.270 369 N C -1.690 173.766 175.510 -0.091 0.000 1.285 369 N CA -0.563 52.459 53.050 -0.047 0.000 0.812 369 N CB 1.080 39.527 38.487 -0.065 0.000 1.557 369 N HN 0.347 nan 8.380 nan 0.000 0.487 370 V N 0.518 120.344 119.914 -0.147 0.000 2.583 370 V HA 0.455 4.575 4.120 -0.000 0.000 0.287 370 V C 0.445 176.407 176.094 -0.220 0.000 1.051 370 V CA 0.046 62.232 62.300 -0.190 0.000 1.010 370 V CB 0.968 32.668 31.823 -0.206 0.000 0.988 370 V HN 0.851 nan 8.190 nan 0.000 0.478 371 S N 2.768 118.259 115.700 -0.348 0.000 2.732 371 S HA 0.815 5.285 4.470 -0.000 0.000 0.293 371 S C -1.331 173.135 174.600 -0.223 0.000 1.159 371 S CA -0.457 57.558 58.200 -0.308 0.000 0.847 371 S CB 2.072 65.040 63.200 -0.386 0.000 1.169 371 S HN 0.647 nan 8.310 nan 0.000 0.501 372 V N 0.925 120.815 119.914 -0.039 0.000 2.876 372 V HA 0.986 5.106 4.120 -0.000 0.000 0.312 372 V C -0.382 175.715 176.094 0.005 0.000 1.085 372 V CA 0.312 62.562 62.300 -0.083 0.000 0.945 372 V CB 1.318 32.961 31.823 -0.300 0.000 1.017 372 V HN 1.309 nan 8.190 nan 0.000 0.428 373 A N 4.155 126.846 122.820 -0.216 0.000 2.583 373 A HA 0.969 5.288 4.320 -0.000 0.000 0.299 373 A C -1.673 175.477 177.584 -0.723 0.000 1.258 373 A CA -0.503 51.297 52.037 -0.396 0.000 0.682 373 A CB 1.653 20.251 19.000 -0.671 0.000 1.332 373 A HN 1.041 nan 8.150 nan 0.000 0.485 374 H N 0.058 118.772 119.070 -0.593 0.000 2.768 374 H HA 0.522 5.078 4.556 -0.001 0.000 0.371 374 H C -0.823 174.143 175.328 -0.604 0.000 1.151 374 H CA -0.370 55.337 56.048 -0.569 0.000 1.165 374 H CB 1.333 30.743 29.762 -0.587 0.000 1.722 374 H HN 0.776 nan 8.280 nan 0.000 0.543 375 D N 0.679 120.970 120.400 -0.182 0.000 2.507 375 D HA 0.276 4.916 4.640 -0.000 0.000 0.280 375 D C 1.314 177.706 176.300 0.152 0.000 1.219 375 D CA -0.306 53.669 54.000 -0.043 0.000 1.085 375 D CB 0.115 40.896 40.800 -0.032 0.000 1.134 375 D HN 0.501 nan 8.370 nan 0.000 0.583 376 A N -0.225 122.681 122.820 0.143 0.000 1.902 376 A HA -0.138 4.181 4.320 -0.000 0.000 0.217 376 A C 2.162 179.819 177.584 0.122 0.000 1.181 376 A CA 1.996 54.119 52.037 0.143 0.000 0.623 376 A CB -1.063 17.990 19.000 0.087 0.000 0.818 376 A HN 0.480 nan 8.150 nan 0.000 0.443 377 S N -1.584 114.168 115.700 0.087 0.000 2.507 377 S HA 0.260 4.730 4.470 -0.000 0.000 0.235 377 S C 1.529 176.179 174.600 0.083 0.000 0.988 377 S CA 1.109 59.349 58.200 0.066 0.000 0.944 377 S CB -0.207 63.019 63.200 0.043 0.000 0.762 377 S HN 1.691 nan 8.310 nan 0.000 0.526 378 G N 1.518 110.397 108.800 0.132 0.000 2.176 378 G HA2 -0.287 3.672 3.960 -0.000 0.000 0.253 378 G HA3 -0.287 3.672 3.960 -0.000 0.000 0.253 378 G C 0.067 175.051 174.900 0.139 0.000 0.979 378 G CA 0.272 45.460 45.100 0.147 0.000 0.641 378 G HN 0.525 nan 8.290 nan 0.000 0.530 379 K N 0.916 121.354 120.400 0.064 0.000 2.270 379 K HA 0.441 4.761 4.320 -0.000 0.000 0.276 379 K C 0.915 177.445 176.600 -0.116 0.000 1.023 379 K CA -0.720 55.570 56.287 0.006 0.000 0.955 379 K CB 0.335 32.826 32.500 -0.016 0.000 0.975 379 K HN 0.311 nan 8.250 nan 0.000 0.471 380 R N 1.468 121.842 120.500 -0.210 0.000 2.623 380 R HA 0.109 4.449 4.340 -0.000 0.000 0.271 380 R C -0.565 175.464 176.300 -0.452 0.000 1.043 380 R CA -0.132 55.654 56.100 -0.524 0.000 1.083 380 R CB 0.933 30.955 30.300 -0.464 0.000 0.974 380 R HN 0.358 nan 8.270 nan 0.000 0.436 381 V N 4.675 124.259 119.914 -0.550 0.000 2.612 381 V HA 0.317 4.437 4.120 -0.000 0.000 0.301 381 V C -1.574 174.328 176.094 -0.320 0.000 1.059 381 V CA -0.748 61.345 62.300 -0.346 0.000 0.886 381 V CB 1.274 32.968 31.823 -0.215 0.000 1.007 381 V HN 0.602 nan 8.190 nan 0.000 0.426 382 Y N 7.548 127.837 120.300 -0.019 0.000 2.304 382 Y HA 0.697 5.247 4.550 -0.001 0.000 0.328 382 Y C 0.084 176.041 175.900 0.094 0.000 1.123 382 Y CA 0.099 58.195 58.100 -0.006 0.000 1.218 382 Y CB 1.254 39.670 38.460 -0.072 0.000 1.207 382 Y HN 0.811 nan 8.280 nan 0.000 0.495 383 Y N 0.516 120.872 120.300 0.093 0.000 2.625 383 Y HA 0.667 5.217 4.550 -0.000 0.000 0.338 383 Y C -2.130 173.827 175.900 0.095 0.000 1.123 383 Y CA -2.019 56.121 58.100 0.067 0.000 1.046 383 Y CB 0.656 39.127 38.460 0.018 0.000 1.299 383 Y HN 0.456 nan 8.280 nan 0.000 0.464 384 L N 2.191 123.473 121.223 0.098 0.000 2.312 384 L HA 0.745 5.085 4.340 -0.000 0.000 0.281 384 L C 0.044 177.088 176.870 0.290 0.000 1.070 384 L CA 0.512 55.404 54.840 0.087 0.000 0.805 384 L CB 1.352 43.494 42.059 0.138 0.000 1.174 384 L HN 1.033 nan 8.230 nan 0.000 0.434 385 T N 4.286 118.966 114.554 0.209 0.000 2.716 385 T HA 0.877 5.226 4.350 -0.000 0.000 0.286 385 T C -1.225 173.588 174.700 0.188 0.000 1.052 385 T CA -0.586 61.712 62.100 0.331 0.000 1.024 385 T CB 1.154 70.184 68.868 0.271 0.000 1.349 385 T HN 0.862 nan 8.240 nan 0.000 0.525 386 R N 0.477 121.032 120.500 0.092 0.000 2.728 386 R HA 0.457 4.797 4.340 -0.000 0.000 0.274 386 R C -1.629 174.507 176.300 -0.273 0.000 1.030 386 R CA -0.994 55.044 56.100 -0.104 0.000 0.876 386 R CB 0.337 30.509 30.300 -0.215 0.000 1.259 386 R HN 0.516 nan 8.270 nan 0.000 0.468 387 D N 1.795 122.031 120.400 -0.273 0.000 2.458 387 D HA 0.062 4.702 4.640 -0.000 0.000 0.243 387 D C -1.342 174.582 176.300 -0.627 0.000 1.146 387 D CA -1.440 52.350 54.000 -0.350 0.000 0.877 387 D CB 1.332 42.010 40.800 -0.204 0.000 1.176 387 D HN 0.374 nan 8.370 nan 0.000 0.461 388 P HA -0.030 nan 4.420 nan 0.000 0.241 388 P C 1.208 178.184 177.300 -0.541 0.000 1.191 388 P CA 0.225 62.632 63.100 -1.156 0.000 0.771 388 P CB 0.353 31.260 31.700 -1.321 0.000 0.929 389 T N 0.331 114.686 114.554 -0.332 0.000 2.597 389 T HA -0.154 4.196 4.350 -0.000 0.000 0.267 389 T C 1.824 176.462 174.700 -0.103 0.000 1.053 389 T CA 2.611 64.618 62.100 -0.156 0.000 1.165 389 T CB -1.165 67.654 68.868 -0.082 0.000 0.863 389 T HN 0.206 nan 8.240 nan 0.000 0.427 390 T N 2.088 116.584 114.554 -0.096 0.000 2.708 390 T HA -0.052 4.298 4.350 -0.000 0.000 0.266 390 T C -0.559 174.097 174.700 -0.072 0.000 1.037 390 T CA 1.234 63.305 62.100 -0.047 0.000 1.146 390 T CB -1.170 67.703 68.868 0.009 0.000 0.865 390 T HN 0.342 nan 8.240 nan 0.000 0.435 391 P HA 0.001 nan 4.420 nan 0.000 0.215 391 P C 1.509 178.838 177.300 0.049 0.000 1.153 391 P CA 0.909 63.996 63.100 -0.021 0.000 0.853 391 P CB -0.170 31.483 31.700 -0.079 0.000 0.788 392 L N -1.336 119.878 121.223 -0.015 0.000 2.056 392 L HA -0.123 4.217 4.340 -0.000 0.000 0.207 392 L C 2.475 179.391 176.870 0.077 0.000 1.078 392 L CA 1.447 56.313 54.840 0.045 0.000 0.749 392 L CB -1.230 40.821 42.059 -0.013 0.000 0.901 392 L HN -0.051 nan 8.230 nan 0.000 0.433 393 A N 0.451 123.301 122.820 0.050 0.000 1.908 393 A HA -0.220 4.099 4.320 -0.000 0.000 0.218 393 A C 2.381 180.033 177.584 0.114 0.000 1.181 393 A CA 1.627 53.712 52.037 0.080 0.000 0.627 393 A CB -0.473 18.551 19.000 0.040 0.000 0.818 393 A HN 0.345 nan 8.150 nan 0.000 0.445 394 R N -0.676 119.861 120.500 0.063 0.000 2.115 394 R HA 0.033 4.372 4.340 -0.000 0.000 0.226 394 R C 2.427 178.872 176.300 0.241 0.000 1.100 394 R CA 0.966 57.117 56.100 0.086 0.000 0.980 394 R CB -0.405 29.884 30.300 -0.019 0.000 0.875 394 R HN 0.507 nan 8.270 nan 0.000 0.445 395 A N 1.436 124.420 122.820 0.274 0.000 1.933 395 A HA -0.088 4.232 4.320 -0.000 0.000 0.218 395 A C 2.368 180.185 177.584 0.389 0.000 1.175 395 A CA 1.602 53.911 52.037 0.455 0.000 0.628 395 A CB -0.525 18.772 19.000 0.495 0.000 0.814 395 A HN 0.371 nan 8.150 nan 0.000 0.444 396 A N -1.364 121.597 122.820 0.235 0.000 1.902 396 A HA -0.172 4.148 4.320 -0.000 0.000 0.217 396 A C 2.094 179.783 177.584 0.175 0.000 1.181 396 A CA 1.350 53.477 52.037 0.149 0.000 0.623 396 A CB -0.815 18.252 19.000 0.112 0.000 0.818 396 A HN 0.827 nan 8.150 nan 0.000 0.443 397 W N 1.074 122.412 121.300 0.063 0.000 2.355 397 W HA -0.133 4.527 4.660 -0.001 0.000 0.309 397 W C 1.576 178.138 176.519 0.071 0.000 1.206 397 W CA 1.877 59.248 57.345 0.044 0.000 1.284 397 W CB -0.313 29.158 29.460 0.017 0.000 1.145 397 W HN 0.549 nan 8.180 nan 0.000 0.502 398 E N -0.744 119.710 120.200 0.424 0.000 2.418 398 E HA -0.123 4.227 4.350 -0.000 0.000 0.197 398 E C 1.916 178.660 176.600 0.240 0.000 1.026 398 E CA 1.269 57.877 56.400 0.347 0.000 0.862 398 E CB -0.107 29.842 29.700 0.414 0.000 0.799 398 E HN 0.075 nan 8.360 nan 0.000 0.518 399 T N 0.143 114.820 114.554 0.205 0.000 2.904 399 T HA -0.037 4.313 4.350 -0.000 0.000 0.267 399 T C 1.696 176.373 174.700 -0.038 0.000 1.059 399 T CA 1.223 63.373 62.100 0.084 0.000 1.137 399 T CB 0.106 69.037 68.868 0.105 0.000 0.879 399 T HN 0.226 nan 8.240 nan 0.000 0.467 400 A N 0.071 122.843 122.820 -0.079 0.000 2.382 400 A HA 0.368 4.688 4.320 -0.000 0.000 0.228 400 A C 0.796 178.311 177.584 -0.116 0.000 1.217 400 A CA -0.140 51.822 52.037 -0.124 0.000 0.923 400 A CB 0.517 19.406 19.000 -0.185 0.000 0.979 400 A HN 0.074 nan 8.150 nan 0.000 0.515 401 R N 0.519 120.960 120.500 -0.098 0.000 2.574 401 R HA 0.388 4.728 4.340 -0.000 0.000 0.288 401 R C -1.687 174.658 176.300 0.074 0.000 1.004 401 R CA -0.533 55.579 56.100 0.021 0.000 0.895 401 R CB 0.977 31.275 30.300 -0.004 0.000 1.191 401 R HN 0.423 nan 8.270 nan 0.000 0.444 402 H N 0.541 119.690 119.070 0.132 0.000 2.683 402 H HA 0.294 4.850 4.556 -0.000 0.000 0.339 402 H C 0.532 175.951 175.328 0.150 0.000 1.081 402 H CA 0.382 56.515 56.048 0.143 0.000 1.432 402 H CB 1.013 30.840 29.762 0.108 0.000 1.462 402 H HN 0.569 nan 8.280 nan 0.000 0.557 403 T N -0.328 114.353 114.554 0.212 0.000 2.896 403 T HA 0.287 4.637 4.350 -0.000 0.000 0.297 403 T C -1.894 172.824 174.700 0.031 0.000 1.108 403 T CA -2.022 60.157 62.100 0.131 0.000 1.004 403 T CB 1.648 70.585 68.868 0.115 0.000 1.159 403 T HN 0.227 nan 8.240 nan 0.000 0.499 404 P HA 0.087 nan 4.420 nan 0.000 0.218 404 P C -0.181 176.998 177.300 -0.203 0.000 1.148 404 P CA 0.523 63.475 63.100 -0.247 0.000 0.822 404 P CB 0.130 31.698 31.700 -0.220 0.000 0.784 405 V N 0.871 120.712 119.914 -0.121 0.000 2.444 405 V HA 0.223 4.343 4.120 -0.000 0.000 0.294 405 V C -0.288 175.736 176.094 -0.115 0.000 1.022 405 V CA -0.871 61.353 62.300 -0.126 0.000 0.850 405 V CB 1.713 33.467 31.823 -0.114 0.000 0.992 405 V HN -0.026 nan 8.190 nan 0.000 0.426 406 N N 3.055 121.639 118.700 -0.193 0.000 2.521 406 N HA 0.078 4.818 4.740 -0.000 0.000 0.236 406 N C 1.354 176.628 175.510 -0.392 0.000 1.067 406 N CA 0.169 53.041 53.050 -0.297 0.000 0.939 406 N CB 1.739 39.900 38.487 -0.544 0.000 1.201 406 N HN 0.836 nan 8.380 nan 0.000 0.511 407 S N 2.341 117.937 115.700 -0.173 0.000 2.399 407 S HA -0.118 4.351 4.470 -0.000 0.000 0.231 407 S C 1.863 176.406 174.600 -0.095 0.000 1.022 407 S CA 0.246 58.382 58.200 -0.106 0.000 0.983 407 S CB -0.412 62.781 63.200 -0.012 0.000 0.803 407 S HN 0.793 nan 8.310 nan 0.000 0.480 408 W N 1.496 122.693 121.300 -0.173 0.000 2.342 408 W HA -0.063 4.596 4.660 -0.001 0.000 0.297 408 W C 1.730 178.149 176.519 -0.167 0.000 1.213 408 W CA 0.600 57.803 57.345 -0.236 0.000 1.251 408 W CB -1.141 27.813 29.460 -0.844 0.000 1.136 408 W HN 0.369 nan 8.180 nan 0.000 0.526 409 L N 2.860 123.404 121.223 -1.132 0.000 2.056 409 L HA 0.153 4.493 4.340 -0.000 0.000 0.207 409 L C 2.661 179.301 176.870 -0.383 0.000 1.078 409 L CA 2.794 57.044 54.840 -0.984 0.000 0.749 409 L CB -1.391 39.843 42.059 -1.375 0.000 0.901 409 L HN 0.046 nan 8.230 nan 0.000 0.433 410 G N -0.709 107.893 108.800 -0.329 0.000 2.422 410 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.218 410 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.218 410 G C 1.462 176.345 174.900 -0.028 0.000 1.146 410 G CA 0.718 45.709 45.100 -0.182 0.000 0.769 410 G HN 0.439 nan 8.290 nan 0.000 0.547 411 N N 0.504 119.251 118.700 0.078 0.000 2.244 411 N HA 0.005 4.745 4.740 -0.000 0.000 0.183 411 N C 2.212 177.860 175.510 0.230 0.000 1.016 411 N CA 0.538 53.766 53.050 0.297 0.000 0.866 411 N CB -0.098 38.635 38.487 0.411 0.000 0.980 411 N HN 0.328 nan 8.380 nan 0.000 0.430 412 I N 0.825 121.482 120.570 0.146 0.000 2.315 412 I HA -0.191 3.979 4.170 -0.000 0.000 0.248 412 I C 1.982 178.141 176.117 0.070 0.000 1.117 412 I CA 0.764 62.135 61.300 0.118 0.000 1.404 412 I CB -0.080 38.053 38.000 0.221 0.000 1.071 412 I HN 0.038 nan 8.210 nan 0.000 0.419 413 I N 0.011 120.620 120.570 0.065 0.000 2.163 413 I HA -0.295 3.874 4.170 -0.000 0.000 0.240 413 I C 2.514 178.717 176.117 0.144 0.000 1.081 413 I CA 1.218 62.586 61.300 0.112 0.000 1.353 413 I CB -0.230 37.810 38.000 0.066 0.000 1.054 413 I HN 0.194 nan 8.210 nan 0.000 0.407 414 M N -0.528 119.070 119.600 -0.002 0.000 2.200 414 M HA -0.134 4.346 4.480 -0.000 0.000 0.265 414 M C 1.247 177.320 176.300 -0.378 0.000 1.066 414 M CA 1.802 56.986 55.300 -0.193 0.000 1.127 414 M CB -0.886 31.458 32.600 -0.427 0.000 1.379 414 M HN 0.208 nan 8.290 nan 0.000 0.420 415 Y N -0.529 119.757 120.300 -0.023 0.000 2.720 415 Y HA 0.489 5.039 4.550 -0.000 0.000 0.277 415 Y C 1.867 177.510 175.900 -0.428 0.000 1.144 415 Y CA -0.250 57.727 58.100 -0.205 0.000 1.221 415 Y CB -0.999 37.311 38.460 -0.250 0.000 1.163 415 Y HN 0.167 nan 8.280 nan 0.000 0.537 416 A N 1.030 123.641 122.820 -0.348 0.000 1.971 416 A HA -0.199 4.120 4.320 -0.000 0.000 0.222 416 A C -0.378 176.942 177.584 -0.439 0.000 1.182 416 A CA 1.879 53.693 52.037 -0.371 0.000 0.649 416 A CB -1.393 17.402 19.000 -0.341 0.000 0.818 416 A HN 0.300 nan 8.150 nan 0.000 0.458 417 P HA 0.008 nan 4.420 nan 0.000 0.229 417 P C 0.773 177.800 177.300 -0.455 0.000 1.160 417 P CA 1.275 64.104 63.100 -0.452 0.000 0.777 417 P CB -0.388 31.073 31.700 -0.399 0.000 0.814 418 T N -2.340 111.952 114.554 -0.438 0.000 2.900 418 T HA 0.056 4.406 4.350 -0.000 0.000 0.307 418 T C 1.137 175.419 174.700 -0.697 0.000 1.065 418 T CA -0.538 61.239 62.100 -0.537 0.000 1.105 418 T CB 0.484 68.829 68.868 -0.872 0.000 0.979 418 T HN -0.165 nan 8.240 nan 0.000 0.544 419 L N 2.196 122.907 121.223 -0.853 0.000 2.046 419 L HA 0.051 4.391 4.340 -0.000 0.000 0.208 419 L C 2.421 178.981 176.870 -0.517 0.000 1.077 419 L CA 1.590 55.929 54.840 -0.834 0.000 0.747 419 L CB -0.855 40.578 42.059 -1.043 0.000 0.896 419 L HN 0.921 nan 8.230 nan 0.000 0.432 420 W N -0.725 120.367 121.300 -0.347 0.000 2.418 420 W HA 0.049 4.709 4.660 -0.000 0.000 0.292 420 W C 2.013 178.398 176.519 -0.223 0.000 1.213 420 W CA 0.781 57.961 57.345 -0.275 0.000 1.283 420 W CB -1.415 27.922 29.460 -0.206 0.000 1.119 420 W HN 0.316 nan 8.180 nan 0.000 0.542 421 A N 1.860 124.240 122.820 -0.734 0.000 1.930 421 A HA -0.126 4.194 4.320 -0.000 0.000 0.217 421 A C 2.256 179.695 177.584 -0.242 0.000 1.175 421 A CA 1.730 53.488 52.037 -0.466 0.000 0.627 421 A CB -0.709 17.860 19.000 -0.717 0.000 0.815 421 A HN 0.309 nan 8.150 nan 0.000 0.443 422 R N -1.344 118.940 120.500 -0.360 0.000 2.062 422 R HA 0.059 4.399 4.340 -0.000 0.000 0.226 422 R C 2.374 178.492 176.300 -0.302 0.000 1.125 422 R CA 1.472 57.395 56.100 -0.295 0.000 0.966 422 R CB -0.392 29.623 30.300 -0.475 0.000 0.861 422 R HN 0.622 nan 8.270 nan 0.000 0.433 423 M N 0.364 119.615 119.600 -0.582 0.000 2.132 423 M HA -0.101 4.379 4.480 -0.000 0.000 0.263 423 M C 1.611 177.678 176.300 -0.388 0.000 1.065 423 M CA 1.809 56.758 55.300 -0.586 0.000 1.122 423 M CB 0.212 32.471 32.600 -0.568 0.000 1.365 423 M HN 0.105 nan 8.290 nan 0.000 0.411 424 I N -0.857 119.414 120.570 -0.498 0.000 2.962 424 I HA -0.120 4.050 4.170 -0.000 0.000 0.246 424 I C 2.071 178.028 176.117 -0.266 0.000 1.091 424 I CA 0.229 61.044 61.300 -0.809 0.000 1.469 424 I CB -0.373 37.209 38.000 -0.698 0.000 1.324 424 I HN 0.196 nan 8.210 nan 0.000 0.461 425 L N 0.371 121.620 121.223 0.043 0.000 2.012 425 L HA -0.238 4.101 4.340 -0.000 0.000 0.210 425 L C 2.701 179.862 176.870 0.486 0.000 1.073 425 L CA 1.710 56.766 54.840 0.360 0.000 0.748 425 L CB -0.514 41.785 42.059 0.399 0.000 0.891 425 L HN 0.300 nan 8.230 nan 0.000 0.431 426 M N -0.869 118.973 119.600 0.405 0.000 2.067 426 M HA -0.183 4.296 4.480 -0.000 0.000 0.260 426 M C 2.368 179.144 176.300 0.794 0.000 1.069 426 M CA 2.194 57.836 55.300 0.570 0.000 1.117 426 M CB -0.796 31.962 32.600 0.265 0.000 1.334 426 M HN 0.257 nan 8.290 nan 0.000 0.407 427 T N -1.155 113.845 114.554 0.742 0.000 2.652 427 T HA -0.247 4.103 4.350 -0.000 0.000 0.267 427 T C 1.676 176.640 174.700 0.439 0.000 1.039 427 T CA 2.074 64.550 62.100 0.626 0.000 1.153 427 T CB -0.645 68.615 68.868 0.654 0.000 0.863 427 T HN 0.456 nan 8.240 nan 0.000 0.428 428 H N 0.434 119.647 119.070 0.239 0.000 2.293 428 H HA -0.019 4.537 4.556 -0.000 0.000 0.300 428 H C 1.798 176.989 175.328 -0.229 0.000 1.082 428 H CA 1.598 57.665 56.048 0.032 0.000 1.308 428 H CB -0.547 29.113 29.762 -0.170 0.000 1.375 428 H HN 0.359 nan 8.280 nan 0.000 0.495 429 F N -1.194 118.693 119.950 -0.106 0.000 2.259 429 F HA -0.009 4.517 4.527 -0.001 0.000 0.298 429 F C 1.944 177.582 175.800 -0.269 0.000 1.088 429 F CA 0.530 58.239 58.000 -0.485 0.000 1.358 429 F CB -0.438 37.886 39.000 -1.128 0.000 1.040 429 F HN 0.148 nan 8.300 nan 0.000 0.505 430 F N -0.621 119.407 119.950 0.129 0.000 2.259 430 F HA -0.155 4.371 4.527 -0.001 0.000 0.298 430 F C 2.715 178.535 175.800 0.032 0.000 1.088 430 F CA 1.363 59.464 58.000 0.168 0.000 1.358 430 F CB -0.829 38.391 39.000 0.367 0.000 1.040 430 F HN -0.099 nan 8.300 nan 0.000 0.505 431 S N 0.412 116.182 115.700 0.116 0.000 2.368 431 S HA -0.179 4.290 4.470 -0.000 0.000 0.225 431 S C 2.137 176.688 174.600 -0.081 0.000 1.030 431 S CA 1.483 59.679 58.200 -0.007 0.000 0.999 431 S CB -0.449 62.731 63.200 -0.034 0.000 0.844 431 S HN 0.335 nan 8.310 nan 0.000 0.459 432 I N 1.196 121.650 120.570 -0.193 0.000 2.202 432 I HA -0.158 4.012 4.170 -0.000 0.000 0.242 432 I C 2.271 178.332 176.117 -0.093 0.000 1.091 432 I CA 1.088 62.268 61.300 -0.199 0.000 1.368 432 I CB -0.385 37.411 38.000 -0.340 0.000 1.058 432 I HN 0.303 nan 8.210 nan 0.000 0.410 433 L N 0.168 121.343 121.223 -0.080 0.000 2.079 433 L HA -0.236 4.104 4.340 -0.000 0.000 0.210 433 L C 2.548 179.422 176.870 0.006 0.000 1.081 433 L CA 1.310 56.130 54.840 -0.034 0.000 0.752 433 L CB -0.489 41.517 42.059 -0.089 0.000 0.896 433 L HN 0.293 nan 8.230 nan 0.000 0.433 434 L N -0.446 120.792 121.223 0.025 0.000 1.994 434 L HA -0.190 4.150 4.340 -0.000 0.000 0.208 434 L C 2.868 179.747 176.870 0.015 0.000 1.071 434 L CA 1.286 56.151 54.840 0.041 0.000 0.745 434 L CB -0.637 41.452 42.059 0.050 0.000 0.892 434 L HN 0.223 nan 8.230 nan 0.000 0.431 435 A N -0.982 121.835 122.820 -0.005 0.000 1.978 435 A HA -0.206 4.114 4.320 -0.000 0.000 0.220 435 A C 2.067 179.651 177.584 0.000 0.000 1.170 435 A CA 1.428 53.459 52.037 -0.011 0.000 0.636 435 A CB -0.246 18.737 19.000 -0.030 0.000 0.810 435 A HN 0.457 nan 8.150 nan 0.000 0.448 436 Q N -0.863 118.940 119.800 0.006 0.000 2.319 436 Q HA 0.096 4.436 4.340 -0.000 0.000 0.202 436 Q C -0.559 175.458 176.000 0.028 0.000 0.896 436 Q CA 0.326 56.142 55.803 0.021 0.000 0.942 436 Q CB 0.121 28.879 28.738 0.033 0.000 1.083 436 Q HN 0.784 nan 8.270 nan 0.000 0.510 437 E N 0.964 121.180 120.200 0.028 0.000 2.252 437 E HA -0.234 4.116 4.350 -0.000 0.000 0.218 437 E C -0.400 176.225 176.600 0.042 0.000 1.253 437 E CA 0.271 56.692 56.400 0.035 0.000 0.705 437 E CB -1.164 28.554 29.700 0.030 0.000 1.172 437 E HN 0.449 nan 8.360 nan 0.000 0.369 438 Q N -0.256 119.570 119.800 0.044 0.000 2.141 438 Q HA 0.206 4.546 4.340 -0.000 0.000 0.248 438 Q C 1.481 177.512 176.000 0.052 0.000 0.834 438 Q CA -0.232 55.603 55.803 0.053 0.000 1.096 438 Q CB 0.508 29.286 28.738 0.067 0.000 1.189 438 Q HN 0.384 nan 8.270 nan 0.000 0.471 439 L N 0.115 121.369 121.223 0.051 0.000 2.191 439 L HA -0.174 4.165 4.340 -0.000 0.000 0.212 439 L C 2.020 178.931 176.870 0.068 0.000 1.103 439 L CA 1.270 56.142 54.840 0.054 0.000 0.769 439 L CB 0.031 42.149 42.059 0.098 0.000 0.908 439 L HN 0.252 nan 8.230 nan 0.000 0.438 440 E N 0.321 120.560 120.200 0.066 0.000 2.442 440 E HA -0.057 4.293 4.350 -0.000 0.000 0.195 440 E C 0.797 177.434 176.600 0.061 0.000 1.030 440 E CA 0.072 56.510 56.400 0.064 0.000 0.869 440 E CB 0.272 30.006 29.700 0.056 0.000 0.857 440 E HN 0.096 nan 8.360 nan 0.000 0.505 441 K N 0.775 121.212 120.400 0.062 0.000 2.383 441 K HA 0.253 4.573 4.320 -0.000 0.000 0.286 441 K C -0.767 175.873 176.600 0.066 0.000 1.051 441 K CA -0.127 56.200 56.287 0.065 0.000 0.974 441 K CB 0.599 33.143 32.500 0.073 0.000 0.968 441 K HN 0.076 nan 8.250 nan 0.000 0.475 442 A N 5.451 128.308 122.820 0.061 0.000 2.440 442 A HA 0.349 4.669 4.320 -0.000 0.000 0.251 442 A C -0.472 177.140 177.584 0.046 0.000 1.089 442 A CA -0.386 51.684 52.037 0.055 0.000 0.779 442 A CB 0.174 19.211 19.000 0.062 0.000 1.022 442 A HN 0.763 nan 8.150 nan 0.000 0.492 443 L N 1.759 122.990 121.223 0.013 0.000 2.333 443 L HA 0.430 4.770 4.340 -0.000 0.000 0.269 443 L C -0.714 176.118 176.870 -0.062 0.000 1.010 443 L CA -1.077 53.750 54.840 -0.021 0.000 0.818 443 L CB 1.893 43.917 42.059 -0.058 0.000 1.306 443 L HN 0.572 nan 8.230 nan 0.000 0.430 444 D N 0.941 121.298 120.400 -0.072 0.000 2.210 444 D HA 0.495 5.135 4.640 -0.000 0.000 0.249 444 D C -0.535 175.670 176.300 -0.160 0.000 1.078 444 D CA -0.057 53.898 54.000 -0.076 0.000 0.875 444 D CB 1.791 42.559 40.800 -0.055 0.000 1.175 444 D HN 0.609 nan 8.370 nan 0.000 0.440 445 C N 0.258 119.464 119.300 -0.157 0.000 3.323 445 C HA 0.675 5.135 4.460 -0.000 0.000 0.324 445 C C -0.938 173.966 174.990 -0.143 0.000 1.428 445 C CA -0.863 58.031 59.018 -0.207 0.000 1.368 445 C CB 1.509 29.067 27.740 -0.304 0.000 1.731 445 C HN 0.503 nan 8.230 nan 0.000 0.455 446 Q N 0.369 120.084 119.800 -0.143 0.000 2.342 446 Q HA 0.749 5.088 4.340 -0.000 0.000 0.267 446 Q C -1.372 174.547 176.000 -0.136 0.000 1.038 446 Q CA -0.413 55.335 55.803 -0.091 0.000 0.832 446 Q CB 2.432 31.135 28.738 -0.059 0.000 1.323 446 Q HN 0.724 nan 8.270 nan 0.000 0.448 447 I N 2.932 123.422 120.570 -0.133 0.000 2.468 447 I HA 0.179 4.349 4.170 -0.000 0.000 0.284 447 I C -1.111 174.983 176.117 -0.038 0.000 1.038 447 I CA -0.718 60.412 61.300 -0.284 0.000 1.083 447 I CB 1.059 38.568 38.000 -0.818 0.000 1.223 447 I HN 0.675 nan 8.210 nan 0.000 0.443 448 Y N 5.064 125.381 120.300 0.029 0.000 3.589 448 Y HA -0.257 4.292 4.550 -0.000 0.000 0.218 448 Y C 1.439 177.292 175.900 -0.078 0.000 1.234 448 Y CA 1.115 59.221 58.100 0.009 0.000 1.576 448 Y CB -1.954 36.514 38.460 0.013 0.000 1.487 448 Y HN 0.973 nan 8.280 nan 0.000 0.616 449 G N -2.105 106.764 108.800 0.115 0.000 2.320 449 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.242 449 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.242 449 G C 0.506 175.413 174.900 0.011 0.000 1.033 449 G CA 0.210 45.340 45.100 0.050 0.000 0.620 449 G HN 1.583 nan 8.290 nan 0.000 0.517 450 A N -0.265 122.560 122.820 0.008 0.000 2.340 450 A HA 0.622 4.941 4.320 -0.000 0.000 0.268 450 A C 0.724 178.144 177.584 -0.273 0.000 1.100 450 A CA 0.535 52.417 52.037 -0.259 0.000 0.803 450 A CB 0.805 19.489 19.000 -0.526 0.000 1.043 450 A HN 1.583 nan 8.150 nan 0.000 0.488 451 C N 2.484 121.537 119.300 -0.411 0.000 2.388 451 C HA 0.767 5.226 4.460 -0.000 0.000 0.362 451 C C -1.049 173.557 174.990 -0.640 0.000 1.266 451 C CA -0.396 58.453 59.018 -0.282 0.000 2.028 451 C CB -1.176 26.541 27.740 -0.037 0.000 2.440 451 C HN 0.646 nan 8.230 nan 0.000 0.547 452 Y N 2.620 122.700 120.300 -0.365 0.000 2.512 452 Y HA 0.448 4.998 4.550 -0.000 0.000 0.348 452 Y C 0.308 176.081 175.900 -0.211 0.000 0.990 452 Y CA -0.469 57.386 58.100 -0.408 0.000 1.033 452 Y CB 1.810 39.977 38.460 -0.488 0.000 1.259 452 Y HN 0.586 nan 8.280 nan 0.000 0.461 453 S N 3.751 119.457 115.700 0.011 0.000 2.422 453 S HA 0.712 5.182 4.470 -0.000 0.000 0.298 453 S C -0.867 173.782 174.600 0.082 0.000 1.118 453 S CA -0.299 57.950 58.200 0.083 0.000 1.083 453 S CB -0.458 62.837 63.200 0.158 0.000 0.971 453 S HN 0.525 nan 8.310 nan 0.000 0.478 454 I N 3.709 124.304 120.570 0.042 0.000 2.608 454 I HA 0.402 4.572 4.170 -0.000 0.000 0.295 454 I C -0.165 175.977 176.117 0.041 0.000 1.049 454 I CA -0.737 60.599 61.300 0.059 0.000 1.063 454 I CB 2.264 40.283 38.000 0.031 0.000 1.248 454 I HN 0.523 nan 8.210 nan 0.000 0.424 455 E N 6.136 126.378 120.200 0.069 0.000 2.174 455 E HA 0.212 4.562 4.350 -0.000 0.000 0.282 455 E C -1.846 174.805 176.600 0.085 0.000 0.992 455 E CA -1.587 54.855 56.400 0.069 0.000 0.803 455 E CB 1.629 31.373 29.700 0.074 0.000 1.090 455 E HN 0.305 nan 8.360 nan 0.000 0.396 456 P HA -0.183 nan 4.420 nan 0.000 0.216 456 P C 1.021 178.459 177.300 0.231 0.000 1.150 456 P CA 1.126 64.296 63.100 0.116 0.000 0.843 456 P CB 0.219 31.917 31.700 -0.004 0.000 0.787 457 L N -0.897 120.439 121.223 0.188 0.000 2.450 457 L HA -0.137 4.202 4.340 -0.000 0.000 0.224 457 L C 1.320 178.286 176.870 0.160 0.000 1.149 457 L CA 1.146 56.111 54.840 0.208 0.000 0.816 457 L CB -0.678 41.469 42.059 0.147 0.000 0.932 457 L HN 0.011 nan 8.230 nan 0.000 0.449 458 D N -0.466 120.016 120.400 0.137 0.000 2.339 458 D HA 0.037 4.677 4.640 -0.000 0.000 0.217 458 D C 2.268 178.637 176.300 0.114 0.000 1.050 458 D CA 0.225 54.283 54.000 0.096 0.000 0.856 458 D CB 0.394 41.237 40.800 0.071 0.000 0.922 458 D HN 0.294 nan 8.370 nan 0.000 0.518 459 L N 1.076 122.408 121.223 0.182 0.000 2.013 459 L HA -0.174 4.165 4.340 -0.000 0.000 0.212 459 L C -0.442 176.536 176.870 0.181 0.000 1.073 459 L CA 1.647 56.611 54.840 0.207 0.000 0.753 459 L CB -1.584 40.662 42.059 0.311 0.000 0.890 459 L HN 0.037 nan 8.230 nan 0.000 0.432 460 P HA -0.229 nan 4.420 nan 0.000 0.214 460 P C 1.473 178.825 177.300 0.086 0.000 1.163 460 P CA 1.440 64.570 63.100 0.049 0.000 0.889 460 P CB -0.172 31.440 31.700 -0.147 0.000 0.790 461 Q N -0.556 119.245 119.800 0.002 0.000 2.167 461 Q HA -0.111 4.229 4.340 -0.000 0.000 0.202 461 Q C 2.193 178.192 176.000 -0.001 0.000 0.970 461 Q CA 1.449 57.239 55.803 -0.021 0.000 0.855 461 Q CB -1.317 27.391 28.738 -0.050 0.000 0.911 461 Q HN 0.310 nan 8.270 nan 0.000 0.438 462 I N 1.047 121.630 120.570 0.022 0.000 2.179 462 I HA -0.258 3.912 4.170 -0.000 0.000 0.242 462 I C 2.505 178.655 176.117 0.055 0.000 1.088 462 I CA 1.146 62.443 61.300 -0.004 0.000 1.357 462 I CB -0.248 37.795 38.000 0.071 0.000 1.051 462 I HN 0.104 nan 8.210 nan 0.000 0.409 463 I N 0.506 121.165 120.570 0.147 0.000 2.226 463 I HA -0.294 3.876 4.170 -0.000 0.000 0.245 463 I C 2.638 178.764 176.117 0.016 0.000 1.100 463 I CA 1.456 62.849 61.300 0.155 0.000 1.374 463 I CB -0.456 37.634 38.000 0.150 0.000 1.057 463 I HN 0.325 nan 8.210 nan 0.000 0.413 464 E N 1.254 121.495 120.200 0.069 0.000 2.077 464 E HA -0.234 4.116 4.350 -0.000 0.000 0.193 464 E C 2.398 178.980 176.600 -0.031 0.000 0.989 464 E CA 1.020 57.433 56.400 0.021 0.000 0.800 464 E CB 0.109 29.887 29.700 0.130 0.000 0.746 464 E HN 0.308 nan 8.360 nan 0.000 0.452 465 R N 0.169 120.643 120.500 -0.043 0.000 2.066 465 R HA -0.070 4.269 4.340 -0.000 0.000 0.232 465 R C 2.537 178.769 176.300 -0.113 0.000 1.131 465 R CA 1.078 57.129 56.100 -0.082 0.000 0.955 465 R CB -0.473 29.756 30.300 -0.118 0.000 0.851 465 R HN 0.347 nan 8.270 nan 0.000 0.432 466 L N -0.826 120.304 121.223 -0.155 0.000 2.209 466 L HA -0.027 4.313 4.340 -0.000 0.000 0.207 466 L C 1.907 178.486 176.870 -0.486 0.000 1.094 466 L CA 0.899 55.553 54.840 -0.310 0.000 0.790 466 L CB -0.301 41.542 42.059 -0.360 0.000 0.932 466 L HN 0.241 nan 8.230 nan 0.000 0.447 467 H N -0.610 118.394 119.070 -0.110 0.000 2.885 467 H HA 0.320 4.876 4.556 -0.001 0.000 0.260 467 H C 0.953 176.186 175.328 -0.158 0.000 0.985 467 H CA 0.767 56.731 56.048 -0.140 0.000 1.210 467 H CB 1.066 30.716 29.762 -0.187 0.000 1.466 467 H HN 0.268 nan 8.280 nan 0.000 0.493 468 G N 1.005 109.764 108.800 -0.068 0.000 2.730 468 G HA2 -0.220 3.739 3.960 -0.000 0.000 0.686 468 G HA3 -0.220 3.739 3.960 -0.000 0.000 0.686 468 G C 0.683 175.493 174.900 -0.150 0.000 1.343 468 G CA -0.170 44.885 45.100 -0.074 0.000 0.826 468 G HN 0.209 nan 8.290 nan 0.000 0.582 469 L N 1.067 122.274 121.223 -0.028 0.000 2.187 469 L HA -0.137 4.203 4.340 -0.000 0.000 0.213 469 L C 3.236 180.110 176.870 0.007 0.000 1.100 469 L CA 2.279 57.173 54.840 0.091 0.000 0.765 469 L CB -0.553 41.632 42.059 0.210 0.000 0.904 469 L HN 0.960 nan 8.230 nan 0.000 0.437 470 S N 0.241 115.911 115.700 -0.050 0.000 2.419 470 S HA -0.207 4.263 4.470 -0.000 0.000 0.235 470 S C 2.139 176.654 174.600 -0.143 0.000 1.019 470 S CA 0.896 59.060 58.200 -0.060 0.000 0.982 470 S CB -0.382 62.776 63.200 -0.071 0.000 0.789 470 S HN 0.379 nan 8.310 nan 0.000 0.490 471 A N 0.637 123.281 122.820 -0.295 0.000 2.070 471 A HA 0.141 4.461 4.320 -0.000 0.000 0.220 471 A C 1.579 178.975 177.584 -0.313 0.000 1.159 471 A CA 1.089 52.889 52.037 -0.396 0.000 0.656 471 A CB -0.875 17.796 19.000 -0.548 0.000 0.800 471 A HN 0.603 nan 8.150 nan 0.000 0.453 472 F N 0.103 120.074 119.950 0.035 0.000 2.797 472 F HA 0.105 4.632 4.527 -0.000 0.000 0.302 472 F C 1.763 177.622 175.800 0.098 0.000 1.130 472 F CA 0.610 58.662 58.000 0.087 0.000 1.387 472 F CB 0.011 39.112 39.000 0.167 0.000 1.107 472 F HN 0.270 nan 8.300 nan 0.000 0.577 473 S N -1.445 114.363 115.700 0.180 0.000 3.009 473 S HA 0.301 4.771 4.470 -0.000 0.000 0.254 473 S C -0.056 174.607 174.600 0.105 0.000 1.004 473 S CA -0.433 57.866 58.200 0.165 0.000 1.119 473 S CB -0.748 62.547 63.200 0.160 0.000 1.075 473 S HN 0.029 nan 8.310 nan 0.000 0.618 474 L N 3.314 124.517 121.223 -0.033 0.000 2.485 474 L HA 0.410 4.750 4.340 -0.000 0.000 0.275 474 L C 0.568 177.312 176.870 -0.209 0.000 1.207 474 L CA 0.231 54.926 54.840 -0.240 0.000 0.855 474 L CB -0.008 41.783 42.059 -0.448 0.000 1.114 474 L HN 0.687 nan 8.230 nan 0.000 0.485 475 H N -1.460 117.391 119.070 -0.365 0.000 2.960 475 H HA 0.385 4.941 4.556 -0.000 0.000 0.323 475 H C -0.373 174.794 175.328 -0.269 0.000 1.326 475 H CA -0.900 54.992 56.048 -0.259 0.000 1.124 475 H CB 1.125 30.852 29.762 -0.059 0.000 1.853 475 H HN 0.404 nan 8.280 nan 0.000 0.536 476 S N -0.427 115.287 115.700 0.023 0.000 3.667 476 S HA -0.223 4.247 4.470 -0.000 0.000 0.405 476 S C -0.638 173.965 174.600 0.006 0.000 0.913 476 S CA 0.424 58.648 58.200 0.040 0.000 1.288 476 S CB -2.483 60.693 63.200 -0.039 0.000 0.905 476 S HN 0.543 nan 8.310 nan 0.000 0.550 477 Y N 1.825 122.170 120.300 0.075 0.000 2.330 477 Y HA 0.317 4.867 4.550 -0.001 0.000 0.341 477 Y C 1.435 177.396 175.900 0.103 0.000 1.278 477 Y CA 0.375 58.529 58.100 0.090 0.000 1.453 477 Y CB 0.378 38.885 38.460 0.077 0.000 1.342 477 Y HN 0.549 nan 8.280 nan 0.000 0.590 478 S N 1.423 117.288 115.700 0.275 0.000 2.573 478 S HA 0.075 4.545 4.470 -0.000 0.000 0.277 478 S C -1.995 172.692 174.600 0.144 0.000 1.346 478 S CA -1.029 57.272 58.200 0.169 0.000 1.034 478 S CB 1.052 64.328 63.200 0.125 0.000 0.879 478 S HN 0.452 nan 8.310 nan 0.000 0.528 479 P HA 0.026 nan 4.420 nan 0.000 0.216 479 P C 1.681 179.022 177.300 0.068 0.000 1.150 479 P CA 1.566 64.714 63.100 0.080 0.000 0.837 479 P CB -0.404 31.333 31.700 0.062 0.000 0.786 480 G N -0.113 108.724 108.800 0.062 0.000 2.402 480 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.216 480 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.216 480 G C 1.656 176.586 174.900 0.050 0.000 1.162 480 G CA 0.734 45.861 45.100 0.045 0.000 0.777 480 G HN 0.245 nan 8.290 nan 0.000 0.539 481 E N 0.683 120.932 120.200 0.081 0.000 2.072 481 E HA -0.046 4.304 4.350 -0.000 0.000 0.191 481 E C 2.414 179.057 176.600 0.071 0.000 0.985 481 E CA 0.744 57.202 56.400 0.096 0.000 0.801 481 E CB -0.384 29.426 29.700 0.184 0.000 0.750 481 E HN 0.492 nan 8.360 nan 0.000 0.452 482 I N 0.818 121.438 120.570 0.084 0.000 2.179 482 I HA -0.296 3.873 4.170 -0.000 0.000 0.242 482 I C 1.891 178.031 176.117 0.039 0.000 1.088 482 I CA 1.133 62.469 61.300 0.060 0.000 1.357 482 I CB -0.422 37.629 38.000 0.085 0.000 1.051 482 I HN 0.172 nan 8.210 nan 0.000 0.409 483 N N 0.670 119.393 118.700 0.039 0.000 2.120 483 N HA -0.193 4.547 4.740 -0.000 0.000 0.188 483 N C 1.895 177.412 175.510 0.010 0.000 1.024 483 N CA 1.129 54.195 53.050 0.026 0.000 0.852 483 N CB -0.429 38.073 38.487 0.026 0.000 1.003 483 N HN 0.338 nan 8.380 nan 0.000 0.424 484 R N 0.901 121.403 120.500 0.003 0.000 2.073 484 R HA -0.043 4.297 4.340 -0.000 0.000 0.234 484 R C 1.970 178.243 176.300 -0.045 0.000 1.134 484 R CA 1.046 57.131 56.100 -0.025 0.000 0.952 484 R CB -0.198 30.080 30.300 -0.037 0.000 0.850 484 R HN -0.043 nan 8.270 nan 0.000 0.433 485 V N 1.081 120.974 119.914 -0.035 0.000 2.295 485 V HA -0.254 3.866 4.120 -0.000 0.000 0.246 485 V C 2.490 178.572 176.094 -0.019 0.000 1.049 485 V CA 1.979 64.252 62.300 -0.044 0.000 1.024 485 V CB -0.863 30.958 31.823 -0.003 0.000 0.648 485 V HN 0.570 nan 8.190 nan 0.000 0.447 486 A N -0.454 122.368 122.820 0.004 0.000 1.883 486 A HA -0.283 4.036 4.320 -0.000 0.000 0.217 486 A C 2.584 180.177 177.584 0.015 0.000 1.186 486 A CA 2.486 54.534 52.037 0.019 0.000 0.624 486 A CB -0.941 18.076 19.000 0.028 0.000 0.822 486 A HN 0.513 nan 8.150 nan 0.000 0.444 487 S N -1.292 114.411 115.700 0.006 0.000 2.370 487 S HA -0.224 4.245 4.470 -0.000 0.000 0.226 487 S C 2.096 176.698 174.600 0.004 0.000 1.033 487 S CA 1.692 59.896 58.200 0.008 0.000 1.011 487 S CB -1.010 62.189 63.200 -0.000 0.000 0.852 487 S HN 0.777 nan 8.310 nan 0.000 0.457 488 C N 1.428 120.715 119.300 -0.021 0.000 2.429 488 C HA 0.060 4.520 4.460 -0.000 0.000 0.277 488 C C 2.522 177.509 174.990 -0.004 0.000 1.262 488 C CA 0.936 59.934 59.018 -0.032 0.000 1.733 488 C CB -1.740 25.942 27.740 -0.097 0.000 2.010 488 C HN 0.699 nan 8.230 nan 0.000 0.483 489 L N 0.211 121.437 121.223 0.004 0.000 2.131 489 L HA -0.106 4.234 4.340 -0.000 0.000 0.210 489 L C 2.986 179.868 176.870 0.021 0.000 1.092 489 L CA 1.497 56.353 54.840 0.026 0.000 0.759 489 L CB -0.797 41.295 42.059 0.056 0.000 0.903 489 L HN 0.392 nan 8.230 nan 0.000 0.435 490 R N 0.236 120.757 120.500 0.034 0.000 2.093 490 R HA -0.128 4.212 4.340 -0.000 0.000 0.224 490 R C 2.330 178.694 176.300 0.107 0.000 1.101 490 R CA 0.930 57.063 56.100 0.056 0.000 0.979 490 R CB -0.142 30.193 30.300 0.057 0.000 0.877 490 R HN 0.269 nan 8.270 nan 0.000 0.441 491 K N 1.195 121.653 120.400 0.097 0.000 2.026 491 K HA -0.105 4.215 4.320 -0.000 0.000 0.208 491 K C 1.808 178.553 176.600 0.242 0.000 1.048 491 K CA 1.246 57.621 56.287 0.146 0.000 0.929 491 K CB 0.039 32.589 32.500 0.083 0.000 0.713 491 K HN 0.121 nan 8.250 nan 0.000 0.439 492 L N -0.439 120.852 121.223 0.113 0.000 2.446 492 L HA 0.166 4.506 4.340 -0.000 0.000 0.219 492 L C 0.826 177.573 176.870 -0.205 0.000 1.116 492 L CA 0.386 55.269 54.840 0.071 0.000 0.844 492 L CB 0.161 42.250 42.059 0.050 0.000 0.970 492 L HN 0.565 nan 8.230 nan 0.000 0.457 493 G N 1.226 109.820 108.800 -0.344 0.000 2.291 493 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.271 493 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.271 493 G C -0.196 174.569 174.900 -0.225 0.000 1.099 493 G CA -0.124 44.624 45.100 -0.587 0.000 0.919 493 G HN 0.063 nan 8.290 nan 0.000 0.496 494 V N 0.842 120.722 119.914 -0.056 0.000 2.465 494 V HA 0.427 4.547 4.120 -0.000 0.000 0.279 494 V C -1.085 175.084 176.094 0.126 0.000 1.045 494 V CA -1.573 60.780 62.300 0.088 0.000 0.938 494 V CB 1.529 33.450 31.823 0.162 0.000 0.986 494 V HN 0.253 nan 8.190 nan 0.000 0.467 495 P HA 0.098 nan 4.420 nan 0.000 0.267 495 P C -2.400 174.978 177.300 0.129 0.000 1.201 495 P CA -0.501 62.581 63.100 -0.028 0.000 0.775 495 P CB -0.091 31.396 31.700 -0.353 0.000 0.854 496 P HA 0.040 nan 4.420 nan 0.000 0.277 496 P C 0.719 178.162 177.300 0.237 0.000 1.271 496 P CA -0.423 62.767 63.100 0.150 0.000 0.795 496 P CB 0.658 32.403 31.700 0.075 0.000 1.101 497 L N 1.584 122.961 121.223 0.257 0.000 2.021 497 L HA -0.227 4.113 4.340 -0.000 0.000 0.215 497 L C 2.858 179.890 176.870 0.270 0.000 1.074 497 L CA 2.159 57.181 54.840 0.303 0.000 0.760 497 L CB -1.209 40.976 42.059 0.210 0.000 0.889 497 L HN 0.385 nan 8.230 nan 0.000 0.433 498 R N -1.347 119.249 120.500 0.161 0.000 2.117 498 R HA -0.157 4.183 4.340 -0.000 0.000 0.243 498 R C 1.849 178.206 176.300 0.095 0.000 1.143 498 R CA 1.929 58.100 56.100 0.119 0.000 0.968 498 R CB -1.522 28.811 30.300 0.056 0.000 0.863 498 R HN 0.378 nan 8.270 nan 0.000 0.444 499 V N 0.452 120.370 119.914 0.008 0.000 2.283 499 V HA -0.167 3.953 4.120 -0.000 0.000 0.243 499 V C 2.099 178.154 176.094 -0.064 0.000 1.039 499 V CA 1.790 64.017 62.300 -0.122 0.000 1.016 499 V CB -0.712 30.898 31.823 -0.355 0.000 0.650 499 V HN 0.370 nan 8.190 nan 0.000 0.449 500 W N 0.187 121.596 121.300 0.182 0.000 2.363 500 W HA -0.131 4.528 4.660 -0.001 0.000 0.296 500 W C 2.747 179.463 176.519 0.327 0.000 1.212 500 W CA 1.503 59.001 57.345 0.254 0.000 1.260 500 W CB -0.262 29.363 29.460 0.275 0.000 1.131 500 W HN 0.060 nan 8.180 nan 0.000 0.530 501 R N -0.207 120.608 120.500 0.526 0.000 2.073 501 R HA -0.224 4.116 4.340 -0.000 0.000 0.234 501 R C 2.116 178.500 176.300 0.140 0.000 1.134 501 R CA 2.122 58.442 56.100 0.366 0.000 0.952 501 R CB -0.750 29.755 30.300 0.340 0.000 0.850 501 R HN 0.245 nan 8.270 nan 0.000 0.433 502 H N 0.345 119.451 119.070 0.059 0.000 2.319 502 H HA -0.078 4.477 4.556 -0.001 0.000 0.299 502 H C 2.031 177.334 175.328 -0.041 0.000 1.092 502 H CA 2.308 58.348 56.048 -0.014 0.000 1.302 502 H CB 0.090 29.833 29.762 -0.032 0.000 1.373 502 H HN 0.143 nan 8.280 nan 0.000 0.497 503 R N -0.282 120.218 120.500 -0.000 0.000 2.092 503 R HA -0.013 4.327 4.340 -0.000 0.000 0.231 503 R C 2.575 178.791 176.300 -0.139 0.000 1.119 503 R CA 0.924 56.986 56.100 -0.065 0.000 0.970 503 R CB -0.231 30.106 30.300 0.061 0.000 0.864 503 R HN 0.399 nan 8.270 nan 0.000 0.440 504 A N 1.279 124.040 122.820 -0.100 0.000 1.930 504 A HA -0.159 4.161 4.320 -0.000 0.000 0.217 504 A C 2.050 179.344 177.584 -0.484 0.000 1.175 504 A CA 1.126 52.938 52.037 -0.375 0.000 0.627 504 A CB -0.296 18.453 19.000 -0.418 0.000 0.815 504 A HN 0.206 nan 8.150 nan 0.000 0.443 505 R N -0.627 119.664 120.500 -0.349 0.000 2.081 505 R HA -0.106 4.234 4.340 -0.000 0.000 0.235 505 R C 2.648 178.770 176.300 -0.296 0.000 1.131 505 R CA 1.504 57.420 56.100 -0.307 0.000 0.960 505 R CB -0.419 29.735 30.300 -0.244 0.000 0.856 505 R HN 0.557 nan 8.270 nan 0.000 0.436 506 S N 0.239 115.750 115.700 -0.315 0.000 2.356 506 S HA -0.103 4.366 4.470 -0.000 0.000 0.223 506 S C 2.043 176.503 174.600 -0.234 0.000 1.032 506 S CA 1.301 59.347 58.200 -0.256 0.000 1.005 506 S CB -0.143 62.906 63.200 -0.252 0.000 0.867 506 S HN 0.118 nan 8.310 nan 0.000 0.449 507 V N 2.501 122.232 119.914 -0.307 0.000 2.295 507 V HA -0.151 3.969 4.120 -0.000 0.000 0.246 507 V C 2.731 178.631 176.094 -0.323 0.000 1.049 507 V CA 2.285 64.389 62.300 -0.327 0.000 1.024 507 V CB -0.865 30.635 31.823 -0.538 0.000 0.648 507 V HN 0.518 nan 8.190 nan 0.000 0.447 508 R N 0.336 120.578 120.500 -0.429 0.000 2.083 508 R HA -0.200 4.139 4.340 -0.000 0.000 0.237 508 R C 2.302 178.521 176.300 -0.136 0.000 1.137 508 R CA 1.903 57.859 56.100 -0.240 0.000 0.951 508 R CB -0.525 29.634 30.300 -0.234 0.000 0.851 508 R HN 0.473 nan 8.270 nan 0.000 0.434 509 A N 0.996 123.726 122.820 -0.149 0.000 1.902 509 A HA -0.174 4.145 4.320 -0.000 0.000 0.217 509 A C 2.209 179.751 177.584 -0.070 0.000 1.181 509 A CA 1.620 53.596 52.037 -0.102 0.000 0.623 509 A CB -0.443 18.492 19.000 -0.108 0.000 0.818 509 A HN 0.398 nan 8.150 nan 0.000 0.443 510 R N -0.532 119.923 120.500 -0.074 0.000 2.096 510 R HA 0.006 4.346 4.340 -0.000 0.000 0.235 510 R C 2.017 178.315 176.300 -0.004 0.000 1.127 510 R CA 1.379 57.456 56.100 -0.038 0.000 0.968 510 R CB -0.479 29.798 30.300 -0.039 0.000 0.861 510 R HN 0.506 nan 8.270 nan 0.000 0.440 511 L N 0.414 121.641 121.223 0.005 0.000 2.093 511 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 511 L C 2.249 179.141 176.870 0.036 0.000 1.085 511 L CA 1.057 55.930 54.840 0.056 0.000 0.755 511 L CB -0.391 41.724 42.059 0.093 0.000 0.904 511 L HN 0.207 nan 8.230 nan 0.000 0.435 512 L N -0.993 120.233 121.223 0.004 0.000 2.046 512 L HA -0.208 4.131 4.340 -0.000 0.000 0.208 512 L C 2.728 179.599 176.870 0.002 0.000 1.077 512 L CA 1.189 56.027 54.840 -0.003 0.000 0.747 512 L CB -0.557 41.486 42.059 -0.027 0.000 0.896 512 L HN 0.202 nan 8.230 nan 0.000 0.432 513 S N -0.685 115.014 115.700 -0.003 0.000 2.383 513 S HA -0.200 4.269 4.470 -0.000 0.000 0.229 513 S C 1.921 176.529 174.600 0.012 0.000 1.030 513 S CA 1.051 59.251 58.200 -0.000 0.000 1.002 513 S CB -0.233 62.963 63.200 -0.006 0.000 0.829 513 S HN 0.429 nan 8.310 nan 0.000 0.467 514 Q N 0.537 120.351 119.800 0.023 0.000 2.152 514 Q HA 0.030 4.370 4.340 -0.000 0.000 0.206 514 Q C 1.534 177.555 176.000 0.034 0.000 0.985 514 Q CA 1.120 56.944 55.803 0.035 0.000 0.863 514 Q CB -0.955 27.816 28.738 0.056 0.000 0.904 514 Q HN 0.597 nan 8.270 nan 0.000 0.422 515 G N -0.796 108.024 108.800 0.033 0.000 2.725 515 G HA2 -0.056 3.904 3.960 -0.000 0.000 0.220 515 G HA3 -0.056 3.904 3.960 -0.000 0.000 0.220 515 G C 0.476 175.401 174.900 0.041 0.000 1.357 515 G CA 0.101 45.219 45.100 0.030 0.000 0.866 515 G HN 0.754 nan 8.290 nan 0.000 0.548 516 G N -0.404 108.417 108.800 0.036 0.000 2.661 516 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.327 516 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.327 516 G C 1.481 176.412 174.900 0.052 0.000 1.320 516 G CA 2.003 47.127 45.100 0.040 0.000 0.997 516 G HN 1.553 nan 8.290 nan 0.000 0.543 517 R N 0.245 120.779 120.500 0.058 0.000 2.094 517 R HA -0.128 4.212 4.340 -0.000 0.000 0.239 517 R C 3.146 179.505 176.300 0.098 0.000 1.137 517 R CA 2.391 58.535 56.100 0.072 0.000 0.943 517 R CB -1.355 28.993 30.300 0.079 0.000 0.850 517 R HN 0.866 nan 8.270 nan 0.000 0.433 518 A N 1.490 124.377 122.820 0.111 0.000 1.940 518 A HA -0.115 4.205 4.320 -0.000 0.000 0.219 518 A C 2.457 180.106 177.584 0.108 0.000 1.176 518 A CA 1.935 54.057 52.037 0.142 0.000 0.631 518 A CB -0.543 18.535 19.000 0.130 0.000 0.814 518 A HN 0.428 nan 8.150 nan 0.000 0.446 519 A N -1.250 121.615 122.820 0.074 0.000 1.930 519 A HA -0.038 4.282 4.320 -0.000 0.000 0.217 519 A C 2.268 179.887 177.584 0.057 0.000 1.175 519 A CA 2.118 54.186 52.037 0.051 0.000 0.627 519 A CB -1.090 17.931 19.000 0.035 0.000 0.815 519 A HN 0.424 nan 8.150 nan 0.000 0.443 520 T N -0.859 113.743 114.554 0.080 0.000 2.821 520 T HA -0.161 4.189 4.350 -0.000 0.000 0.267 520 T C 1.886 176.646 174.700 0.101 0.000 1.046 520 T CA 1.481 63.657 62.100 0.127 0.000 1.139 520 T CB -0.614 68.296 68.868 0.070 0.000 0.871 520 T HN 0.572 nan 8.240 nan 0.000 0.454 521 C N 1.332 120.663 119.300 0.053 0.000 2.432 521 C HA 0.047 4.506 4.460 -0.000 0.000 0.277 521 C C 3.114 178.064 174.990 -0.067 0.000 1.249 521 C CA 0.589 59.584 59.018 -0.037 0.000 1.725 521 C CB -1.456 26.308 27.740 0.041 0.000 2.028 521 C HN 0.716 nan 8.230 nan 0.000 0.477 522 G N -0.124 108.706 108.800 0.049 0.000 2.408 522 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.217 522 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.217 522 G C 1.659 176.569 174.900 0.016 0.000 1.150 522 G CA 0.946 46.120 45.100 0.123 0.000 0.776 522 G HN 0.623 nan 8.290 nan 0.000 0.542 523 K N -0.822 119.543 120.400 -0.058 0.000 2.026 523 K HA -0.081 4.238 4.320 -0.000 0.000 0.208 523 K C 2.162 178.546 176.600 -0.359 0.000 1.048 523 K CA 1.236 57.398 56.287 -0.208 0.000 0.929 523 K CB -0.217 32.127 32.500 -0.260 0.000 0.713 523 K HN 0.431 nan 8.250 nan 0.000 0.439 524 Y N 0.411 120.511 120.300 -0.333 0.000 2.301 524 Y HA 0.041 4.591 4.550 -0.001 0.000 0.295 524 Y C 2.021 177.631 175.900 -0.483 0.000 1.126 524 Y CA 0.493 58.238 58.100 -0.592 0.000 1.154 524 Y CB -0.094 37.644 38.460 -1.203 0.000 1.075 524 Y HN -0.078 nan 8.280 nan 0.000 0.534 525 L N -1.403 119.626 121.223 -0.323 0.000 2.131 525 L HA -0.177 4.163 4.340 -0.000 0.000 0.210 525 L C 0.668 177.229 176.870 -0.516 0.000 1.092 525 L CA 1.468 56.040 54.840 -0.447 0.000 0.759 525 L CB -0.355 41.158 42.059 -0.909 0.000 0.903 525 L HN 0.197 nan 8.230 nan 0.000 0.435 526 F N -1.761 118.114 119.950 -0.125 0.000 2.735 526 F HA 0.175 4.702 4.527 -0.001 0.000 0.304 526 F C 1.623 177.097 175.800 -0.542 0.000 1.119 526 F CA -0.392 57.331 58.000 -0.461 0.000 1.280 526 F CB -0.824 37.903 39.000 -0.456 0.000 0.994 526 F HN 0.025 nan 8.300 nan 0.000 0.520 527 N N 0.959 119.580 118.700 -0.132 0.000 2.443 527 N HA -0.167 4.572 4.740 -0.000 0.000 0.184 527 N C 1.831 177.318 175.510 -0.038 0.000 1.037 527 N CA 1.304 54.295 53.050 -0.098 0.000 0.896 527 N CB -0.032 38.422 38.487 -0.055 0.000 0.959 527 N HN 0.589 nan 8.380 nan 0.000 0.442 528 W N 0.013 121.364 121.300 0.086 0.000 2.519 528 W HA 0.148 4.808 4.660 0.000 0.000 0.266 528 W C 1.582 178.162 176.519 0.102 0.000 1.253 528 W CA 0.523 57.925 57.345 0.095 0.000 1.274 528 W CB -0.672 28.858 29.460 0.116 0.000 1.114 528 W HN -0.022 nan 8.180 nan 0.000 0.596 529 A N 1.901 124.347 122.820 -0.623 0.000 1.968 529 A HA 0.058 4.378 4.320 -0.000 0.000 0.217 529 A C 1.436 178.911 177.584 -0.183 0.000 1.169 529 A CA 1.576 53.288 52.037 -0.543 0.000 0.638 529 A CB -1.106 17.376 19.000 -0.865 0.000 0.812 529 A HN 0.141 nan 8.150 nan 0.000 0.446 530 V N -3.290 116.532 119.914 -0.153 0.000 3.036 530 V HA 0.353 4.473 4.120 -0.000 0.000 0.308 530 V C 0.851 176.929 176.094 -0.027 0.000 1.070 530 V CA -0.428 61.822 62.300 -0.085 0.000 1.056 530 V CB 1.099 32.864 31.823 -0.096 0.000 1.084 530 V HN 0.339 nan 8.190 nan 0.000 0.471 531 K N 0.247 120.634 120.400 -0.021 0.000 2.128 531 K HA 0.105 4.425 4.320 -0.000 0.000 0.202 531 K C 0.719 177.310 176.600 -0.015 0.000 1.050 531 K CA 1.094 57.377 56.287 -0.005 0.000 0.966 531 K CB -0.029 32.468 32.500 -0.004 0.000 0.759 531 K HN 0.780 nan 8.250 nan 0.000 0.454 532 T N 3.661 118.198 114.554 -0.027 0.000 3.364 532 T HA 0.129 4.478 4.350 -0.000 0.000 0.323 532 T C -0.343 174.333 174.700 -0.040 0.000 1.323 532 T CA -0.351 61.731 62.100 -0.031 0.000 1.073 532 T CB 0.216 69.064 68.868 -0.033 0.000 1.150 532 T HN -0.023 nan 8.240 nan 0.000 0.727 533 K N 2.471 122.852 120.400 -0.032 0.000 2.518 533 K HA 0.136 4.456 4.320 -0.000 0.000 0.276 533 K C 0.336 176.902 176.600 -0.056 0.000 0.974 533 K CA 0.071 56.334 56.287 -0.039 0.000 0.986 533 K CB 0.771 33.262 32.500 -0.014 0.000 0.901 533 K HN 0.470 nan 8.250 nan 0.000 0.497 534 L N 1.731 122.901 121.223 -0.088 0.000 2.387 534 L HA 0.234 4.574 4.340 -0.000 0.000 0.266 534 L C 0.770 177.578 176.870 -0.104 0.000 1.059 534 L CA -0.983 53.793 54.840 -0.107 0.000 0.801 534 L CB 0.732 42.697 42.059 -0.157 0.000 1.223 534 L HN 0.551 nan 8.230 nan 0.000 0.456 535 K N 2.028 122.377 120.400 -0.085 0.000 2.361 535 K HA 0.109 4.429 4.320 -0.000 0.000 0.283 535 K C -0.475 176.076 176.600 -0.081 0.000 1.078 535 K CA 0.139 56.393 56.287 -0.054 0.000 1.041 535 K CB -0.038 32.444 32.500 -0.030 0.000 0.932 535 K HN 0.506 nan 8.250 nan 0.000 0.462 536 L N 4.813 126.013 121.223 -0.039 0.000 2.533 536 L HA 0.023 4.363 4.340 -0.000 0.000 0.239 536 L C 0.540 177.506 176.870 0.160 0.000 1.376 536 L CA -0.457 54.388 54.840 0.008 0.000 1.240 536 L CB -1.022 41.102 42.059 0.109 0.000 1.487 536 L HN 0.811 nan 8.230 nan 0.000 0.419 537 T N -1.781 112.853 114.554 0.133 0.000 2.868 537 T HA 0.330 4.679 4.350 -0.000 0.000 0.292 537 T C -2.262 172.578 174.700 0.233 0.000 1.028 537 T CA -1.701 60.489 62.100 0.150 0.000 1.059 537 T CB 0.685 69.609 68.868 0.093 0.000 0.991 537 T HN 0.039 nan 8.240 nan 0.000 0.531 538 P HA 0.129 nan 4.420 nan 0.000 0.266 538 P C -0.403 176.940 177.300 0.071 0.000 1.186 538 P CA 0.005 63.166 63.100 0.102 0.000 0.767 538 P CB 0.197 31.933 31.700 0.060 0.000 0.820 539 I N 4.695 125.243 120.570 -0.036 0.000 2.371 539 I HA 0.116 4.286 4.170 -0.000 0.000 0.290 539 I C -1.183 174.906 176.117 -0.047 0.000 1.028 539 I CA -1.853 59.381 61.300 -0.111 0.000 1.345 539 I CB 0.869 38.693 38.000 -0.293 0.000 1.407 539 I HN 0.378 nan 8.210 nan 0.000 0.501 540 P HA -0.172 nan 4.420 nan 0.000 0.207 540 P C 0.087 177.374 177.300 -0.021 0.000 0.938 540 P CA 0.521 63.617 63.100 -0.008 0.000 0.948 540 P CB 0.077 31.780 31.700 0.004 0.000 0.643 541 A N -0.533 122.275 122.820 -0.020 0.000 2.618 541 A HA 0.394 4.714 4.320 -0.000 0.000 0.293 541 A C 0.560 178.121 177.584 -0.038 0.000 1.413 541 A CA 0.672 52.695 52.037 -0.024 0.000 1.074 541 A CB -1.615 17.375 19.000 -0.015 0.000 1.087 541 A HN 0.323 nan 8.150 nan 0.000 0.553 542 A N 2.104 124.898 122.820 -0.044 0.000 2.897 542 A HA 0.508 4.827 4.320 -0.000 0.000 0.230 542 A C 0.804 178.351 177.584 -0.062 0.000 0.896 542 A CA 0.420 52.423 52.037 -0.057 0.000 1.114 542 A CB -0.297 18.666 19.000 -0.063 0.000 1.230 542 A HN 1.515 nan 8.150 nan 0.000 0.481 543 S N -1.975 113.690 115.700 -0.058 0.000 2.684 543 S HA 0.044 4.514 4.470 -0.000 0.000 0.268 543 S C 1.271 175.832 174.600 -0.066 0.000 1.075 543 S CA 0.295 58.458 58.200 -0.062 0.000 1.184 543 S CB -0.320 62.853 63.200 -0.045 0.000 1.129 543 S HN 0.396 nan 8.310 nan 0.000 0.630 544 Q N 0.894 120.659 119.800 -0.058 0.000 2.020 544 Q HA 0.106 4.446 4.340 -0.000 0.000 0.202 544 Q C -0.188 175.769 176.000 -0.071 0.000 0.982 544 Q CA 0.860 56.632 55.803 -0.052 0.000 0.838 544 Q CB -0.536 28.180 28.738 -0.036 0.000 0.899 544 Q HN 0.443 nan 8.270 nan 0.000 0.423 545 L N 2.273 123.440 121.223 -0.093 0.000 2.559 545 L HA -0.089 4.251 4.340 -0.000 0.000 0.282 545 L C 0.022 176.785 176.870 -0.179 0.000 1.232 545 L CA 0.586 55.347 54.840 -0.132 0.000 0.885 545 L CB -0.016 41.936 42.059 -0.179 0.000 1.131 545 L HN 0.073 nan 8.230 nan 0.000 0.498 546 D N 3.321 123.622 120.400 -0.165 0.000 2.479 546 D HA 0.293 4.933 4.640 -0.000 0.000 0.218 546 D C -0.385 175.739 176.300 -0.294 0.000 1.131 546 D CA -0.320 53.578 54.000 -0.170 0.000 0.916 546 D CB 0.396 41.142 40.800 -0.089 0.000 1.022 546 D HN 0.257 nan 8.370 nan 0.000 0.515 547 L N 3.408 124.376 121.223 -0.426 0.000 2.990 547 L HA 0.202 4.541 4.340 -0.000 0.000 0.231 547 L C 1.709 178.411 176.870 -0.279 0.000 1.341 547 L CA -0.041 54.378 54.840 -0.701 0.000 1.208 547 L CB -0.405 41.147 42.059 -0.844 0.000 1.571 547 L HN 0.429 nan 8.230 nan 0.000 0.453 548 S N -1.209 114.417 115.700 -0.123 0.000 2.315 548 S HA 0.012 4.482 4.470 -0.000 0.000 0.211 548 S C 1.776 176.421 174.600 0.075 0.000 1.029 548 S CA 0.586 58.778 58.200 -0.014 0.000 0.956 548 S CB -0.777 62.413 63.200 -0.016 0.000 0.918 548 S HN 0.384 nan 8.310 nan 0.000 0.470 549 G N -0.733 108.132 108.800 0.107 0.000 3.155 549 G HA2 0.105 4.064 3.960 -0.000 0.000 0.213 549 G HA3 0.105 4.064 3.960 -0.000 0.000 0.213 549 G C 0.587 175.681 174.900 0.323 0.000 1.196 549 G CA -0.329 44.872 45.100 0.168 0.000 0.846 549 G HN 0.459 nan 8.290 nan 0.000 0.516 550 W N 0.412 121.638 121.300 -0.124 0.000 2.381 550 W HA 0.215 4.875 4.660 -0.001 0.000 0.301 550 W C 0.446 176.546 176.519 -0.697 0.000 1.205 550 W CA 0.486 57.511 57.345 -0.533 0.000 1.285 550 W CB -0.167 28.732 29.460 -0.936 0.000 1.133 550 W HN 0.137 nan 8.180 nan 0.000 0.521 551 F N -0.816 119.301 119.950 0.278 0.000 2.542 551 F HA 0.295 4.822 4.527 -0.000 0.000 0.323 551 F C 0.559 176.505 175.800 0.243 0.000 1.411 551 F CA -0.572 57.578 58.000 0.250 0.000 1.124 551 F CB -0.224 38.882 39.000 0.177 0.000 1.331 551 F HN -0.402 nan 8.300 nan 0.000 0.560 552 V N 0.027 120.165 119.914 0.373 0.000 2.743 552 V HA 0.598 4.718 4.120 -0.000 0.000 0.237 552 V C 0.966 177.224 176.094 0.273 0.000 1.113 552 V CA 0.794 63.258 62.300 0.273 0.000 1.141 552 V CB 0.408 32.372 31.823 0.236 0.000 0.873 552 V HN 0.421 nan 8.190 nan 0.000 0.486 553 A N -0.846 122.101 122.820 0.212 0.000 2.583 553 A HA 0.782 5.101 4.320 -0.000 0.000 0.289 553 A C -0.236 177.045 177.584 -0.505 0.000 1.151 553 A CA 0.072 52.100 52.037 -0.014 0.000 0.695 553 A CB 0.983 19.850 19.000 -0.222 0.000 1.290 553 A HN 0.402 nan 8.150 nan 0.000 0.419 554 G N -1.512 106.689 108.800 -0.999 0.000 2.400 554 G HA2 0.532 4.491 3.960 -0.000 0.000 0.301 554 G HA3 0.532 4.491 3.960 -0.000 0.000 0.301 554 G C -0.844 173.407 174.900 -1.082 0.000 1.154 554 G CA -0.026 44.083 45.100 -1.652 0.000 0.852 554 G HN 0.595 nan 8.290 nan 0.000 0.511 555 Y N 0.547 120.624 120.300 -0.372 0.000 2.779 555 Y HA 0.283 4.833 4.550 -0.000 0.000 0.251 555 Y C 1.400 177.222 175.900 -0.130 0.000 1.145 555 Y CA -0.789 57.202 58.100 -0.182 0.000 1.201 555 Y CB 0.376 38.753 38.460 -0.138 0.000 1.281 555 Y HN 0.524 nan 8.280 nan 0.000 0.563 556 S N 0.794 116.467 115.700 -0.045 0.000 2.626 556 S HA 0.263 4.732 4.470 -0.000 0.000 0.303 556 S C 1.537 176.160 174.600 0.039 0.000 1.256 556 S CA 1.539 59.744 58.200 0.009 0.000 1.069 556 S CB -0.019 63.191 63.200 0.017 0.000 0.807 556 S HN 1.069 nan 8.310 nan 0.000 0.500 557 G N 3.634 112.457 108.800 0.039 0.000 2.189 557 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.267 557 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.267 557 G C 0.901 175.837 174.900 0.060 0.000 0.975 557 G CA 0.519 45.648 45.100 0.048 0.000 0.644 557 G HN 1.412 nan 8.290 nan 0.000 0.537 558 G N -0.111 108.732 108.800 0.071 0.000 2.920 558 G HA2 0.341 4.300 3.960 -0.000 0.000 0.208 558 G HA3 0.341 4.300 3.960 -0.000 0.000 0.208 558 G C 0.528 175.463 174.900 0.058 0.000 1.159 558 G CA 1.137 46.297 45.100 0.101 0.000 0.784 558 G HN 1.320 nan 8.290 nan 0.000 0.535 559 D N -0.633 119.769 120.400 0.005 0.000 2.705 559 D HA -0.164 4.476 4.640 -0.000 0.000 0.240 559 D C -0.157 176.104 176.300 -0.064 0.000 1.137 559 D CA 0.303 54.283 54.000 -0.033 0.000 0.677 559 D CB -1.142 39.650 40.800 -0.012 0.000 1.049 559 D HN 0.095 nan 8.370 nan 0.000 0.427 560 I N 1.397 121.886 120.570 -0.134 0.000 2.441 560 I HA 0.387 4.557 4.170 -0.000 0.000 0.295 560 I C -0.137 175.770 176.117 -0.351 0.000 0.994 560 I CA -0.750 60.377 61.300 -0.288 0.000 1.144 560 I CB 1.318 38.988 38.000 -0.549 0.000 1.314 560 I HN 0.142 nan 8.210 nan 0.000 0.445 561 Y N 5.845 125.872 120.300 -0.456 0.000 2.361 561 Y HA 0.456 5.006 4.550 -0.000 0.000 0.337 561 Y C -0.915 174.754 175.900 -0.386 0.000 0.965 561 Y CA -0.542 57.294 58.100 -0.439 0.000 1.091 561 Y CB 1.291 39.599 38.460 -0.253 0.000 1.182 561 Y HN 0.561 nan 8.280 nan 0.000 0.450 562 H N 3.190 121.540 119.070 -1.200 0.000 2.466 562 H HA 0.450 5.006 4.556 -0.000 0.000 0.338 562 H C -0.662 174.129 175.328 -0.895 0.000 1.091 562 H CA -1.128 54.380 56.048 -0.901 0.000 1.207 562 H CB 1.583 30.799 29.762 -0.910 0.000 1.466 562 H HN 0.576 nan 8.280 nan 0.000 0.493 563 S N 3.423 118.946 115.700 -0.294 0.000 2.465 563 S HA 0.084 4.554 4.470 -0.000 0.000 0.279 563 S C -0.074 174.520 174.600 -0.010 0.000 1.201 563 S CA -0.686 57.444 58.200 -0.117 0.000 1.053 563 S CB 0.628 63.849 63.200 0.034 0.000 0.953 563 S HN 0.300 nan 8.310 nan 0.000 0.488 564 L N 3.389 124.645 121.223 0.055 0.000 2.439 564 L HA 0.501 4.840 4.340 -0.000 0.000 0.269 564 L C 0.315 177.223 176.870 0.064 0.000 1.179 564 L CA 0.779 55.693 54.840 0.125 0.000 0.828 564 L CB 1.159 43.318 42.059 0.167 0.000 1.106 564 L HN 0.641 nan 8.230 nan 0.000 0.467 565 S N 3.737 119.461 115.700 0.040 0.000 2.627 565 S HA 0.789 5.259 4.470 -0.000 0.000 0.283 565 S C -0.546 174.049 174.600 -0.008 0.000 1.127 565 S CA -0.761 57.446 58.200 0.011 0.000 0.863 565 S CB 1.257 64.456 63.200 -0.002 0.000 1.121 565 S HN 0.757 nan 8.310 nan 0.000 0.479 566 R N 0.000 120.494 120.500 -0.009 0.000 2.786 566 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 566 R CA 0.000 56.089 56.100 -0.019 0.000 0.921 566 R CB 0.000 30.295 30.300 -0.008 0.000 0.687 566 R HN 0.000 nan 8.270 nan 0.000 0.535