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 2vdi_1_H DATA FIRST_RESID 11 DATA SEQUENCE AGFKAGVKDY RLTYYTPDYV VRDTDILAAF RMTPQPGVPP EECGAAVAAE DATA SEQUENCE SSTGTWTTVW TDGLTSLDRY KGRCYDIEPV PGEDNQYIAY VAYXIDLFEE DATA SEQUENCE GSVTNMFTSI VGNVFGFKAL RALRLEDLRI PPAYVKTFVG XPHGIQVERD DATA SEQUENCE KLNKYGRGLL GCTIKPKLGL SAKNYGRAVY ESLRGGLDFT XDDENVNSQP DATA SEQUENCE FMRWRDRFLF VAEAIYKAQA ETGEVKGHYL NATAGTCEEM MKRAVXAKEL DATA SEQUENCE GVPIIMHDYL TGGFTANTSL AIYCRDNGLL LHIHRAMHAV IDRQRNHGIH DATA SEQUENCE FRVLAKALRM SGGDHLHSGT VVGKLEGERE VTLGFVDLMR DDYVEKDRSR DATA SEQUENCE GIYFTQDWXS MPGVMPVASG GIHVWHMPAL VEIFGDDACL QFGGGTLGHP DATA SEQUENCE WGNAPGAAAN RVALEACTQA RNEGRDLARE GGDVIRSACK WSPELAAACE DATA SEQUENCE VWKEIKFEFD TIDKL 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 11 A HA 0.000 nan 4.320 nan 0.000 0.244 11 A C 0.000 177.619 177.584 0.058 0.000 1.274 11 A CA 0.000 52.057 52.037 0.033 0.000 0.836 11 A CB 0.000 19.017 19.000 0.028 0.000 0.831 12 G N 0.007 108.839 108.800 0.054 0.000 2.606 12 G HA2 0.512 4.472 3.960 0.001 0.000 0.252 12 G HA3 0.512 4.472 3.960 0.001 0.000 0.252 12 G C -0.162 174.824 174.900 0.143 0.000 1.206 12 G CA -0.221 44.929 45.100 0.084 0.000 0.861 12 G HN 1.489 nan 8.290 nan 0.000 0.561 13 F N 0.807 120.777 119.950 0.033 0.000 2.438 13 F HA 0.475 5.002 4.527 0.001 0.000 0.356 13 F C 0.369 176.184 175.800 0.027 0.000 1.099 13 F CA -0.901 57.130 58.000 0.052 0.000 1.185 13 F CB 1.036 40.096 39.000 0.100 0.000 1.115 13 F HN 0.242 nan 8.300 nan 0.000 0.526 14 K N 6.329 126.436 120.400 -0.488 0.000 2.559 14 K HA 0.618 4.939 4.320 0.001 0.000 0.249 14 K C -0.882 175.310 176.600 -0.681 0.000 0.958 14 K CA -0.678 55.271 56.287 -0.563 0.000 0.901 14 K CB 1.073 33.438 32.500 -0.225 0.000 1.124 14 K HN 0.855 nan 8.250 nan 0.000 0.437 15 A N 2.498 124.777 122.820 -0.901 0.000 2.445 15 A HA 0.594 4.914 4.320 0.001 0.000 0.242 15 A C 0.471 177.928 177.584 -0.212 0.000 1.075 15 A CA 0.917 52.683 52.037 -0.452 0.000 0.777 15 A CB 0.072 18.902 19.000 -0.283 0.000 1.013 15 A HN 1.001 nan 8.150 nan 0.000 0.493 16 G N -0.719 108.003 108.800 -0.129 0.000 2.392 16 G HA2 0.326 4.287 3.960 0.001 0.000 0.677 16 G HA3 0.326 4.287 3.960 0.001 0.000 0.677 16 G C -0.885 173.946 174.900 -0.114 0.000 1.334 16 G CA -0.472 44.567 45.100 -0.102 0.000 0.961 16 G HN 1.442 nan 8.290 nan 0.000 0.616 17 V N 1.316 121.187 119.914 -0.072 0.000 2.546 17 V HA 0.670 4.791 4.120 0.001 0.000 0.284 17 V C 0.682 176.740 176.094 -0.059 0.000 1.050 17 V CA 0.668 62.929 62.300 -0.065 0.000 0.981 17 V CB 1.142 32.994 31.823 0.047 0.000 0.990 17 V HN 1.094 nan 8.190 nan 0.000 0.474 18 K N 1.647 121.993 120.400 -0.090 0.000 2.495 18 K HA 0.610 4.931 4.320 0.001 0.000 0.268 18 K C -1.470 175.067 176.600 -0.104 0.000 1.008 18 K CA -1.108 55.138 56.287 -0.069 0.000 0.882 18 K CB 1.552 34.022 32.500 -0.050 0.000 1.443 18 K HN 0.321 nan 8.250 nan 0.000 0.447 19 D N 0.941 121.313 120.400 -0.047 0.000 2.455 19 D HA 0.021 4.661 4.640 0.001 0.000 0.241 19 D C 0.532 176.842 176.300 0.017 0.000 1.138 19 D CA 0.219 54.209 54.000 -0.018 0.000 0.877 19 D CB 0.223 41.043 40.800 0.034 0.000 1.187 19 D HN 0.456 nan 8.370 nan 0.000 0.451 20 Y N 1.446 121.805 120.300 0.097 0.000 2.207 20 Y HA -0.221 4.330 4.550 0.001 0.000 0.287 20 Y C 2.402 178.424 175.900 0.203 0.000 1.156 20 Y CA 1.298 59.495 58.100 0.162 0.000 1.182 20 Y CB -0.283 38.206 38.460 0.049 0.000 0.979 20 Y HN 0.469 nan 8.280 nan 0.000 0.521 21 R N 0.495 121.158 120.500 0.272 0.000 2.200 21 R HA -0.154 4.187 4.340 0.001 0.000 0.234 21 R C 1.614 178.029 176.300 0.192 0.000 1.127 21 R CA 1.670 57.904 56.100 0.224 0.000 0.989 21 R CB -1.059 29.314 30.300 0.121 0.000 0.869 21 R HN 0.368 nan 8.270 nan 0.000 0.459 22 L N 0.579 121.880 121.223 0.131 0.000 2.201 22 L HA -0.044 4.296 4.340 0.001 0.000 0.212 22 L C 1.529 178.405 176.870 0.009 0.000 1.105 22 L CA 1.380 56.258 54.840 0.064 0.000 0.775 22 L CB -0.097 41.983 42.059 0.035 0.000 0.913 22 L HN 0.294 nan 8.230 nan 0.000 0.440 23 T N -3.085 111.461 114.554 -0.013 0.000 2.999 23 T HA 0.059 4.409 4.350 0.001 0.000 0.247 23 T C 0.982 175.453 174.700 -0.382 0.000 1.012 23 T CA 0.269 62.212 62.100 -0.262 0.000 1.048 23 T CB 0.184 68.785 68.868 -0.445 0.000 1.020 23 T HN 0.119 nan 8.240 nan 0.000 0.478 24 Y N -0.410 119.931 120.300 0.069 0.000 2.445 24 Y HA 0.414 4.965 4.550 0.001 0.000 0.247 24 Y C 0.042 175.994 175.900 0.087 0.000 1.129 24 Y CA -1.183 56.943 58.100 0.044 0.000 1.251 24 Y CB 0.465 38.951 38.460 0.043 0.000 1.176 24 Y HN 0.164 nan 8.280 nan 0.000 0.522 25 Y N 2.291 122.644 120.300 0.088 0.000 2.385 25 Y HA 0.416 4.966 4.550 0.001 0.000 0.341 25 Y C -0.024 175.896 175.900 0.033 0.000 0.965 25 Y CA -1.417 56.712 58.100 0.049 0.000 1.180 25 Y CB 0.643 39.124 38.460 0.036 0.000 1.139 25 Y HN 0.034 nan 8.280 nan 0.000 0.502 26 T N 5.532 119.902 114.554 -0.306 0.000 3.317 26 T HA 0.276 4.627 4.350 0.001 0.000 0.361 26 T C -2.413 172.144 174.700 -0.238 0.000 1.499 26 T CA -1.751 60.196 62.100 -0.254 0.000 1.529 26 T CB 1.031 69.828 68.868 -0.119 0.000 0.997 26 T HN 0.465 nan 8.240 nan 0.000 0.624 27 P HA 0.109 nan 4.420 nan 0.000 0.237 27 P C 0.141 177.407 177.300 -0.058 0.000 1.178 27 P CA 0.549 63.479 63.100 -0.283 0.000 0.766 27 P CB 0.254 31.715 31.700 -0.399 0.000 0.876 28 D N -1.792 118.584 120.400 -0.039 0.000 2.363 28 D HA 0.014 4.654 4.640 0.001 0.000 0.214 28 D C 0.240 176.561 176.300 0.036 0.000 1.093 28 D CA -0.331 53.669 54.000 -0.001 0.000 0.837 28 D CB -0.261 40.528 40.800 -0.018 0.000 0.948 28 D HN 0.187 nan 8.370 nan 0.000 0.507 29 Y N 1.895 122.164 120.300 -0.052 0.000 2.442 29 Y HA 0.168 4.718 4.550 0.001 0.000 0.330 29 Y C -0.232 175.604 175.900 -0.107 0.000 1.129 29 Y CA -0.294 57.763 58.100 -0.072 0.000 1.365 29 Y CB 0.667 39.090 38.460 -0.062 0.000 1.233 29 Y HN -0.341 nan 8.280 nan 0.000 0.529 30 V N 8.597 128.060 119.914 -0.752 0.000 2.364 30 V HA 0.206 4.327 4.120 0.001 0.000 0.272 30 V C -0.258 175.189 176.094 -1.078 0.000 1.036 30 V CA -0.792 61.105 62.300 -0.672 0.000 0.880 30 V CB 0.756 32.357 31.823 -0.371 0.000 0.991 30 V HN 0.750 nan 8.190 nan 0.000 0.460 31 V N 4.278 123.690 119.914 -0.836 0.000 2.872 31 V HA 0.362 4.483 4.120 0.001 0.000 0.307 31 V C 0.455 176.316 176.094 -0.389 0.000 1.072 31 V CA -0.462 61.444 62.300 -0.658 0.000 1.148 31 V CB 0.053 31.572 31.823 -0.507 0.000 0.954 31 V HN 0.832 nan 8.190 nan 0.000 0.490 32 R N 2.441 122.804 120.500 -0.229 0.000 2.532 32 R HA 0.340 4.681 4.340 0.001 0.000 0.272 32 R C 0.227 176.476 176.300 -0.086 0.000 1.032 32 R CA -0.584 55.443 56.100 -0.123 0.000 1.089 32 R CB 0.678 30.952 30.300 -0.044 0.000 1.098 32 R HN 0.764 nan 8.270 nan 0.000 0.526 33 D N 0.276 120.639 120.400 -0.062 0.000 2.371 33 D HA -0.085 4.556 4.640 0.001 0.000 0.221 33 D C 1.334 177.617 176.300 -0.028 0.000 0.986 33 D CA 1.233 55.207 54.000 -0.044 0.000 0.899 33 D CB 0.176 40.959 40.800 -0.028 0.000 0.902 33 D HN 0.631 nan 8.370 nan 0.000 0.530 34 T N -3.069 111.476 114.554 -0.015 0.000 3.040 34 T HA 0.052 4.403 4.350 0.001 0.000 0.250 34 T C 0.507 175.210 174.700 0.005 0.000 1.058 34 T CA -0.520 61.584 62.100 0.006 0.000 0.988 34 T CB 0.396 69.280 68.868 0.026 0.000 0.993 34 T HN -0.243 nan 8.240 nan 0.000 0.519 35 D N 1.801 122.202 120.400 0.001 0.000 2.414 35 D HA 0.309 4.949 4.640 0.001 0.000 0.242 35 D C -0.196 176.089 176.300 -0.024 0.000 1.129 35 D CA -0.311 53.707 54.000 0.031 0.000 0.885 35 D CB 0.665 41.492 40.800 0.046 0.000 1.198 35 D HN 0.215 nan 8.370 nan 0.000 0.437 36 I N 2.276 122.850 120.570 0.006 0.000 2.371 36 I HA 0.114 4.285 4.170 0.001 0.000 0.290 36 I C 0.081 176.234 176.117 0.060 0.000 1.028 36 I CA -0.079 61.167 61.300 -0.090 0.000 1.345 36 I CB 0.478 38.286 38.000 -0.320 0.000 1.407 36 I HN 0.051 nan 8.210 nan 0.000 0.501 37 L N 6.279 127.408 121.223 -0.157 0.000 2.334 37 L HA 0.870 5.210 4.340 0.001 0.000 0.276 37 L C -0.071 176.670 176.870 -0.214 0.000 1.014 37 L CA -0.771 53.969 54.840 -0.167 0.000 0.815 37 L CB 1.553 43.298 42.059 -0.523 0.000 1.268 37 L HN 0.653 nan 8.230 nan 0.000 0.428 38 A N 2.090 124.994 122.820 0.140 0.000 2.386 38 A HA 0.878 5.198 4.320 0.001 0.000 0.311 38 A C -0.690 176.943 177.584 0.082 0.000 1.068 38 A CA -0.550 51.522 52.037 0.058 0.000 0.743 38 A CB 1.751 20.760 19.000 0.015 0.000 1.258 38 A HN 0.756 nan 8.150 nan 0.000 0.429 39 A N 1.778 124.500 122.820 -0.164 0.000 2.267 39 A HA 0.711 5.031 4.320 0.001 0.000 0.315 39 A C -1.163 176.039 177.584 -0.638 0.000 1.297 39 A CA -0.284 51.426 52.037 -0.545 0.000 0.865 39 A CB -0.187 18.273 19.000 -0.899 0.000 1.165 39 A HN 0.612 nan 8.150 nan 0.000 0.513 40 F N 1.500 121.241 119.950 -0.349 0.000 2.415 40 F HA 0.456 4.983 4.527 0.001 0.000 0.348 40 F C 0.973 176.620 175.800 -0.254 0.000 1.119 40 F CA -0.290 57.550 58.000 -0.267 0.000 1.069 40 F CB 1.544 40.403 39.000 -0.236 0.000 1.124 40 F HN 0.599 nan 8.300 nan 0.000 0.472 41 R N 5.046 125.529 120.500 -0.029 0.000 2.216 41 R HA 0.414 4.754 4.340 0.001 0.000 0.332 41 R C -0.873 175.436 176.300 0.015 0.000 1.056 41 R CA -0.224 55.869 56.100 -0.012 0.000 0.901 41 R CB 0.483 30.779 30.300 -0.007 0.000 1.039 41 R HN 0.820 nan 8.270 nan 0.000 0.456 42 M N 3.908 123.528 119.600 0.034 0.000 2.243 42 M HA 0.285 4.765 4.480 0.001 0.000 0.324 42 M C -1.249 175.095 176.300 0.073 0.000 1.031 42 M CA -0.302 55.010 55.300 0.020 0.000 0.949 42 M CB 2.125 34.729 32.600 0.007 0.000 1.615 42 M HN 0.464 nan 8.290 nan 0.000 0.430 43 T N 6.370 120.951 114.554 0.045 0.000 2.963 43 T HA 0.472 4.822 4.350 0.001 0.000 0.343 43 T C -2.661 172.074 174.700 0.058 0.000 1.146 43 T CA -1.178 60.959 62.100 0.062 0.000 1.016 43 T CB 0.683 69.579 68.868 0.048 0.000 1.046 43 T HN 0.412 nan 8.240 nan 0.000 0.496 44 P HA 0.204 nan 4.420 nan 0.000 0.274 44 P C 0.070 177.401 177.300 0.051 0.000 1.237 44 P CA -0.715 62.416 63.100 0.051 0.000 0.793 44 P CB 0.605 32.337 31.700 0.054 0.000 0.977 45 Q N 1.495 121.317 119.800 0.038 0.000 2.454 45 Q HA 0.159 4.499 4.340 0.001 0.000 0.247 45 Q C -2.000 174.021 176.000 0.035 0.000 1.028 45 Q CA -1.289 54.535 55.803 0.035 0.000 0.910 45 Q CB -0.908 27.850 28.738 0.032 0.000 1.276 45 Q HN 0.331 nan 8.270 nan 0.000 0.489 46 P HA 0.010 nan 4.420 nan 0.000 0.264 46 P C 0.383 177.697 177.300 0.024 0.000 1.193 46 P CA 0.877 63.994 63.100 0.028 0.000 0.763 46 P CB 0.237 31.950 31.700 0.022 0.000 0.810 47 G N 1.453 110.267 108.800 0.023 0.000 2.143 47 G HA2 -0.185 3.775 3.960 0.001 0.000 0.249 47 G HA3 -0.185 3.775 3.960 0.001 0.000 0.249 47 G C -0.117 174.791 174.900 0.013 0.000 0.981 47 G CA -0.214 44.896 45.100 0.017 0.000 0.665 47 G HN 0.522 nan 8.290 nan 0.000 0.528 48 V N 1.733 121.654 119.914 0.012 0.000 2.334 48 V HA 0.454 4.574 4.120 0.001 0.000 0.281 48 V C -1.631 174.443 176.094 -0.034 0.000 1.016 48 V CA -1.681 60.619 62.300 -0.001 0.000 0.832 48 V CB 1.706 33.536 31.823 0.010 0.000 0.999 48 V HN 0.129 nan 8.190 nan 0.000 0.439 49 P HA 0.185 nan 4.420 nan 0.000 0.269 49 P C -2.078 175.096 177.300 -0.209 0.000 1.209 49 P CA -1.182 61.845 63.100 -0.122 0.000 0.776 49 P CB 0.248 31.877 31.700 -0.119 0.000 0.876 50 P HA -0.193 nan 4.420 nan 0.000 0.215 50 P C 1.123 178.160 177.300 -0.439 0.000 1.153 50 P CA 1.527 64.308 63.100 -0.532 0.000 0.853 50 P CB 0.056 31.148 31.700 -1.013 0.000 0.788 51 E N -0.367 119.542 120.200 -0.485 0.000 2.058 51 E HA -0.227 4.123 4.350 0.001 0.000 0.194 51 E C 2.064 178.424 176.600 -0.401 0.000 0.997 51 E CA 1.363 57.353 56.400 -0.683 0.000 0.801 51 E CB -0.741 28.433 29.700 -0.877 0.000 0.746 51 E HN 0.256 nan 8.360 nan 0.000 0.450 52 E N 0.056 120.113 120.200 -0.238 0.000 2.106 52 E HA -0.157 4.193 4.350 0.001 0.000 0.192 52 E C 1.929 178.462 176.600 -0.112 0.000 0.984 52 E CA 1.075 57.421 56.400 -0.090 0.000 0.806 52 E CB -0.523 29.162 29.700 -0.024 0.000 0.750 52 E HN 0.319 nan 8.360 nan 0.000 0.458 53 C N -0.462 118.737 119.300 -0.168 0.000 2.446 53 C HA 0.113 4.574 4.460 0.001 0.000 0.277 53 C C 2.672 177.496 174.990 -0.276 0.000 1.275 53 C CA 1.268 60.167 59.018 -0.199 0.000 1.727 53 C CB -1.375 26.269 27.740 -0.161 0.000 2.010 53 C HN 0.630 nan 8.230 nan 0.000 0.486 54 G N -0.274 108.376 108.800 -0.250 0.000 2.422 54 G HA2 0.034 3.995 3.960 0.001 0.000 0.218 54 G HA3 0.034 3.995 3.960 0.001 0.000 0.218 54 G C 1.893 176.670 174.900 -0.206 0.000 1.140 54 G CA 0.982 45.947 45.100 -0.225 0.000 0.775 54 G HN 0.697 nan 8.290 nan 0.000 0.545 55 A N 1.104 123.830 122.820 -0.155 0.000 1.929 55 A HA 0.394 4.714 4.320 0.001 0.000 0.216 55 A C 2.788 180.157 177.584 -0.358 0.000 1.176 55 A CA 1.896 53.892 52.037 -0.069 0.000 0.628 55 A CB -0.672 18.399 19.000 0.119 0.000 0.816 55 A HN 0.656 nan 8.150 nan 0.000 0.444 56 A N -0.396 122.072 122.820 -0.586 0.000 1.902 56 A HA -0.030 4.291 4.320 0.001 0.000 0.217 56 A C 2.223 179.186 177.584 -1.035 0.000 1.181 56 A CA 1.858 53.155 52.037 -1.234 0.000 0.623 56 A CB -0.963 17.442 19.000 -0.992 0.000 0.818 56 A HN 0.375 nan 8.150 nan 0.000 0.443 57 V N -0.167 119.289 119.914 -0.762 0.000 2.343 57 V HA -0.247 3.873 4.120 0.001 0.000 0.247 57 V C 3.064 178.832 176.094 -0.543 0.000 1.051 57 V CA 1.955 63.816 62.300 -0.732 0.000 1.036 57 V CB -1.236 30.098 31.823 -0.816 0.000 0.654 57 V HN 0.624 nan 8.190 nan 0.000 0.451 58 A N -0.115 122.452 122.820 -0.423 0.000 1.902 58 A HA -0.125 4.195 4.320 0.001 0.000 0.217 58 A C 2.405 179.765 177.584 -0.372 0.000 1.181 58 A CA 2.202 54.067 52.037 -0.288 0.000 0.623 58 A CB -0.739 18.172 19.000 -0.148 0.000 0.818 58 A HN 0.568 nan 8.150 nan 0.000 0.443 59 A N -0.511 121.885 122.820 -0.707 0.000 1.855 59 A HA -0.098 4.222 4.320 0.001 0.000 0.215 59 A C 1.836 179.112 177.584 -0.514 0.000 1.191 59 A CA 1.443 52.835 52.037 -1.075 0.000 0.613 59 A CB -0.384 17.809 19.000 -1.345 0.000 0.829 59 A HN 0.451 nan 8.150 nan 0.000 0.442 60 E N 0.436 120.349 120.200 -0.479 0.000 2.502 60 E HA -0.028 4.322 4.350 0.001 0.000 0.194 60 E C 1.141 177.668 176.600 -0.123 0.000 1.062 60 E CA 0.842 57.096 56.400 -0.243 0.000 0.867 60 E CB -0.054 29.453 29.700 -0.321 0.000 0.888 60 E HN 0.674 nan 8.360 nan 0.000 0.510 61 S N -0.884 114.751 115.700 -0.109 0.000 2.602 61 S HA 0.172 4.643 4.470 0.001 0.000 0.240 61 S C 1.144 175.832 174.600 0.146 0.000 0.992 61 S CA 0.212 58.444 58.200 0.054 0.000 0.971 61 S CB 0.293 63.587 63.200 0.158 0.000 0.855 61 S HN 0.127 nan 8.310 nan 0.000 0.481 62 S N 1.052 116.786 115.700 0.056 0.000 4.948 62 S HA 0.164 4.635 4.470 0.001 0.000 0.154 62 S C 1.253 175.872 174.600 0.032 0.000 1.026 62 S CA 0.569 58.818 58.200 0.082 0.000 1.308 62 S CB -0.219 63.075 63.200 0.155 0.000 1.915 62 S HN 0.575 nan 8.310 nan 0.000 0.680 63 T N -0.961 113.626 114.554 0.055 0.000 2.969 63 T HA 0.502 4.853 4.350 0.001 0.000 0.258 63 T C 0.765 175.517 174.700 0.086 0.000 0.962 63 T CA 0.433 62.581 62.100 0.080 0.000 0.903 63 T CB 0.274 69.240 68.868 0.163 0.000 1.177 63 T HN 0.785 nan 8.240 nan 0.000 0.511 64 G N 0.226 109.048 108.800 0.036 0.000 2.441 64 G HA2 0.583 4.543 3.960 0.001 0.000 0.334 64 G HA3 0.583 4.543 3.960 0.001 0.000 0.334 64 G C -0.884 174.074 174.900 0.096 0.000 1.161 64 G CA -0.294 44.855 45.100 0.082 0.000 0.935 64 G HN 0.257 nan 8.290 nan 0.000 0.488 65 T N -1.094 113.548 114.554 0.146 0.000 2.633 65 T HA 0.424 4.774 4.350 0.001 0.000 0.262 65 T C 0.674 175.525 174.700 0.251 0.000 0.920 65 T CA -0.405 61.828 62.100 0.221 0.000 1.062 65 T CB 0.743 69.695 68.868 0.141 0.000 1.390 65 T HN 0.679 nan 8.240 nan 0.000 0.549 66 W N 0.632 122.025 121.300 0.156 0.000 2.770 66 W HA 0.303 4.963 4.660 0.000 0.000 0.256 66 W C 0.336 176.829 176.519 -0.043 0.000 1.291 66 W CA 0.424 57.816 57.345 0.078 0.000 1.396 66 W CB -0.998 28.525 29.460 0.105 0.000 1.114 66 W HN 0.525 nan 8.180 nan 0.000 0.637 67 T N 1.012 115.092 114.554 -0.790 0.000 2.883 67 T HA 0.353 4.704 4.350 0.001 0.000 0.296 67 T C -0.464 174.001 174.700 -0.393 0.000 1.117 67 T CA -0.311 61.352 62.100 -0.729 0.000 1.006 67 T CB 1.847 69.913 68.868 -1.338 0.000 1.191 67 T HN -0.206 nan 8.240 nan 0.000 0.508 68 T N 2.548 116.981 114.554 -0.201 0.000 2.870 68 T HA 0.467 4.818 4.350 0.001 0.000 0.300 68 T C 0.211 174.961 174.700 0.084 0.000 0.989 68 T CA -0.437 61.649 62.100 -0.023 0.000 1.139 68 T CB 0.298 69.192 68.868 0.044 0.000 0.920 68 T HN 0.665 nan 8.240 nan 0.000 0.537 69 V N 2.572 122.507 119.914 0.034 0.000 2.581 69 V HA 0.486 4.607 4.120 0.001 0.000 0.303 69 V C 1.158 177.129 176.094 -0.206 0.000 1.041 69 V CA -1.184 61.060 62.300 -0.095 0.000 0.907 69 V CB 1.366 33.040 31.823 -0.249 0.000 0.994 69 V HN 1.056 nan 8.190 nan 0.000 0.442 70 W N 2.303 123.197 121.300 -0.677 0.000 2.425 70 W HA -0.089 4.572 4.660 0.001 0.000 0.277 70 W C 1.452 177.743 176.519 -0.380 0.000 1.231 70 W CA 1.405 58.174 57.345 -0.959 0.000 1.248 70 W CB -1.613 26.920 29.460 -1.545 0.000 1.117 70 W HN 0.754 nan 8.180 nan 0.000 0.568 71 T N -0.979 112.926 114.554 -1.082 0.000 2.977 71 T HA -0.211 4.139 4.350 0.001 0.000 0.271 71 T C 1.098 175.581 174.700 -0.361 0.000 1.105 71 T CA 1.576 63.117 62.100 -0.932 0.000 1.116 71 T CB -0.600 67.634 68.868 -1.057 0.000 0.878 71 T HN -0.080 nan 8.240 nan 0.000 0.509 72 D N 2.084 122.346 120.400 -0.231 0.000 2.158 72 D HA -0.050 4.591 4.640 0.001 0.000 0.197 72 D C 2.352 178.635 176.300 -0.028 0.000 0.995 72 D CA 1.456 55.403 54.000 -0.089 0.000 0.846 72 D CB -0.927 39.856 40.800 -0.028 0.000 0.941 72 D HN 0.600 nan 8.370 nan 0.000 0.456 73 G N 0.122 108.926 108.800 0.008 0.000 2.471 73 G HA2 -0.144 3.816 3.960 0.001 0.000 0.219 73 G HA3 -0.144 3.816 3.960 0.001 0.000 0.219 73 G C 1.629 176.560 174.900 0.051 0.000 1.125 73 G CA 0.073 45.206 45.100 0.055 0.000 0.775 73 G HN 0.277 nan 8.290 nan 0.000 0.548 74 L N -0.332 120.908 121.223 0.028 0.000 2.313 74 L HA 0.134 4.475 4.340 0.001 0.000 0.214 74 L C 1.867 178.748 176.870 0.019 0.000 1.119 74 L CA 0.550 55.408 54.840 0.030 0.000 0.809 74 L CB -0.101 41.963 42.059 0.008 0.000 0.933 74 L HN 0.223 nan 8.230 nan 0.000 0.449 75 T N -2.386 112.176 114.554 0.012 0.000 2.735 75 T HA 0.289 4.640 4.350 0.001 0.000 0.262 75 T C -0.347 174.407 174.700 0.090 0.000 0.955 75 T CA -0.424 61.711 62.100 0.059 0.000 1.022 75 T CB 1.845 70.728 68.868 0.023 0.000 1.455 75 T HN -0.102 nan 8.240 nan 0.000 0.583 76 S N 1.377 117.179 115.700 0.169 0.000 2.539 76 S HA 0.347 4.817 4.470 0.001 0.000 0.235 76 S C 0.804 175.473 174.600 0.114 0.000 1.326 76 S CA -0.642 57.615 58.200 0.095 0.000 1.183 76 S CB 0.234 63.452 63.200 0.029 0.000 1.073 76 S HN 0.556 nan 8.310 nan 0.000 0.480 77 L N 3.777 125.041 121.223 0.067 0.000 2.081 77 L HA -0.070 4.270 4.340 0.001 0.000 0.212 77 L C 1.829 178.680 176.870 -0.031 0.000 1.080 77 L CA 2.015 56.879 54.840 0.039 0.000 0.754 77 L CB -0.508 41.535 42.059 -0.027 0.000 0.893 77 L HN 0.586 nan 8.230 nan 0.000 0.433 78 D N -1.096 119.262 120.400 -0.071 0.000 2.172 78 D HA -0.247 4.394 4.640 0.001 0.000 0.196 78 D C 2.352 178.566 176.300 -0.144 0.000 0.999 78 D CA 1.170 55.104 54.000 -0.110 0.000 0.856 78 D CB -0.101 40.647 40.800 -0.088 0.000 0.934 78 D HN 0.320 nan 8.370 nan 0.000 0.453 79 R N -1.096 119.283 120.500 -0.202 0.000 2.127 79 R HA -0.070 4.270 4.340 0.001 0.000 0.217 79 R C 1.307 177.328 176.300 -0.465 0.000 1.074 79 R CA 0.809 56.669 56.100 -0.400 0.000 0.991 79 R CB 0.129 30.047 30.300 -0.637 0.000 0.895 79 R HN 0.247 nan 8.270 nan 0.000 0.450 80 Y N 0.430 120.711 120.300 -0.033 0.000 2.483 80 Y HA 0.145 4.695 4.550 0.001 0.000 0.258 80 Y C 0.200 176.095 175.900 -0.009 0.000 1.083 80 Y CA -0.329 57.758 58.100 -0.022 0.000 1.283 80 Y CB 0.204 38.650 38.460 -0.024 0.000 1.178 80 Y HN -0.096 nan 8.280 nan 0.000 0.515 81 K N 1.382 121.845 120.400 0.106 0.000 2.436 81 K HA 0.299 4.619 4.320 0.001 0.000 0.275 81 K C 0.557 177.188 176.600 0.051 0.000 0.999 81 K CA 0.175 56.536 56.287 0.123 0.000 0.980 81 K CB 0.550 33.059 32.500 0.016 0.000 0.919 81 K HN 0.141 nan 8.250 nan 0.000 0.484 82 G N 2.527 111.384 108.800 0.094 0.000 2.467 82 G HA2 0.283 4.243 3.960 0.001 0.000 0.257 82 G HA3 0.283 4.243 3.960 0.001 0.000 0.257 82 G C -0.855 174.006 174.900 -0.065 0.000 1.227 82 G CA -0.959 44.073 45.100 -0.114 0.000 0.835 82 G HN 0.639 nan 8.290 nan 0.000 0.556 83 R N 0.464 120.862 120.500 -0.170 0.000 2.476 83 R HA 0.294 4.634 4.340 0.001 0.000 0.305 83 R C -1.010 175.331 176.300 0.068 0.000 0.965 83 R CA -0.618 55.432 56.100 -0.083 0.000 0.867 83 R CB 1.863 31.962 30.300 -0.335 0.000 1.176 83 R HN 0.506 nan 8.270 nan 0.000 0.447 84 C N 5.367 124.730 119.300 0.105 0.000 2.416 84 C HA 0.216 4.676 4.460 0.001 0.000 0.355 84 C C 0.976 176.080 174.990 0.191 0.000 1.211 84 C CA -0.465 58.642 59.018 0.147 0.000 1.699 84 C CB -1.246 26.598 27.740 0.174 0.000 2.310 84 C HN 0.986 nan 8.230 nan 0.000 0.539 85 Y N 1.869 122.259 120.300 0.151 0.000 2.444 85 Y HA 0.527 5.077 4.550 0.001 0.000 0.249 85 Y C 0.230 176.198 175.900 0.112 0.000 1.134 85 Y CA -0.435 57.730 58.100 0.108 0.000 1.261 85 Y CB 0.062 38.650 38.460 0.213 0.000 1.143 85 Y HN 0.486 nan 8.280 nan 0.000 0.523 86 D N 0.641 120.944 120.400 -0.162 0.000 2.836 86 D HA 0.421 5.062 4.640 0.001 0.000 0.215 86 D C -1.620 174.758 176.300 0.129 0.000 1.255 86 D CA -0.354 53.617 54.000 -0.048 0.000 0.822 86 D CB 1.997 42.630 40.800 -0.278 0.000 1.656 86 D HN 0.195 nan 8.370 nan 0.000 0.511 87 I N 2.060 122.734 120.570 0.172 0.000 2.466 87 I HA 0.333 4.503 4.170 0.001 0.000 0.289 87 I C -0.288 175.945 176.117 0.192 0.000 1.026 87 I CA -0.664 60.738 61.300 0.169 0.000 1.078 87 I CB 2.210 40.234 38.000 0.040 0.000 1.249 87 I HN 0.172 nan 8.210 nan 0.000 0.429 88 E N 7.947 128.306 120.200 0.264 0.000 2.176 88 E HA 0.447 4.797 4.350 0.001 0.000 0.267 88 E C -2.505 174.255 176.600 0.267 0.000 0.893 88 E CA -2.078 54.473 56.400 0.251 0.000 0.761 88 E CB 2.306 32.199 29.700 0.322 0.000 1.133 88 E HN 0.226 nan 8.360 nan 0.000 0.409 89 P HA 0.050 nan 4.420 nan 0.000 0.275 89 P C -0.587 176.735 177.300 0.037 0.000 1.228 89 P CA -0.323 62.860 63.100 0.139 0.000 0.786 89 P CB 0.985 32.753 31.700 0.114 0.000 0.927 90 V N 4.933 124.805 119.914 -0.071 0.000 2.348 90 V HA 0.209 4.329 4.120 0.001 0.000 0.270 90 V C -1.799 174.264 176.094 -0.051 0.000 1.037 90 V CA -1.862 60.411 62.300 -0.046 0.000 0.872 90 V CB 0.670 32.455 31.823 -0.064 0.000 1.002 90 V HN 0.566 nan 8.190 nan 0.000 0.464 91 P HA 0.160 nan 4.420 nan 0.000 0.264 91 P C 0.914 178.201 177.300 -0.022 0.000 1.193 91 P CA 1.067 64.156 63.100 -0.018 0.000 0.763 91 P CB 0.834 32.529 31.700 -0.007 0.000 0.810 92 G N 1.583 110.368 108.800 -0.024 0.000 2.175 92 G HA2 -0.161 3.800 3.960 0.001 0.000 0.244 92 G HA3 -0.161 3.800 3.960 0.001 0.000 0.244 92 G C -0.180 174.700 174.900 -0.032 0.000 0.982 92 G CA -0.281 44.807 45.100 -0.021 0.000 0.641 92 G HN 0.580 nan 8.290 nan 0.000 0.527 93 E N 0.087 120.252 120.200 -0.058 0.000 2.246 93 E HA 0.393 4.744 4.350 0.001 0.000 0.266 93 E C -0.178 176.349 176.600 -0.122 0.000 0.880 93 E CA -0.574 55.775 56.400 -0.084 0.000 0.762 93 E CB 1.579 31.218 29.700 -0.102 0.000 1.180 93 E HN 0.110 nan 8.360 nan 0.000 0.416 94 D N 0.983 121.327 120.400 -0.093 0.000 2.183 94 D HA -0.104 4.537 4.640 0.001 0.000 0.203 94 D C 0.860 177.079 176.300 -0.135 0.000 0.969 94 D CA 0.996 54.946 54.000 -0.084 0.000 0.842 94 D CB 0.221 41.000 40.800 -0.035 0.000 0.957 94 D HN 0.195 nan 8.370 nan 0.000 0.484 95 N N -0.156 118.449 118.700 -0.158 0.000 2.433 95 N HA 0.103 4.843 4.740 0.001 0.000 0.270 95 N C -1.246 174.119 175.510 -0.242 0.000 1.354 95 N CA -0.099 52.866 53.050 -0.142 0.000 0.889 95 N CB 0.398 38.876 38.487 -0.015 0.000 1.285 95 N HN -0.027 nan 8.380 nan 0.000 0.503 96 Q N 0.324 119.832 119.800 -0.487 0.000 2.356 96 Q HA 0.399 4.740 4.340 0.001 0.000 0.270 96 Q C -1.584 174.046 176.000 -0.617 0.000 1.058 96 Q CA -0.669 54.914 55.803 -0.367 0.000 0.802 96 Q CB 1.724 30.363 28.738 -0.164 0.000 1.303 96 Q HN 0.228 nan 8.270 nan 0.000 0.444 97 Y N 1.503 121.803 120.300 -0.000 0.000 2.524 97 Y HA 0.437 4.987 4.550 0.000 0.000 0.347 97 Y C -0.362 175.533 175.900 -0.009 0.000 1.005 97 Y CA -1.145 56.957 58.100 0.003 0.000 1.025 97 Y CB 1.495 39.949 38.460 -0.010 0.000 1.275 97 Y HN 0.425 nan 8.280 nan 0.000 0.460 98 I N 2.771 123.438 120.570 0.161 0.000 2.297 98 I HA 0.418 4.589 4.170 0.001 0.000 0.291 98 I C 0.098 176.221 176.117 0.011 0.000 1.033 98 I CA -0.589 60.718 61.300 0.013 0.000 1.253 98 I CB 0.377 38.376 38.000 -0.002 0.000 1.396 98 I HN 0.690 nan 8.210 nan 0.000 0.476 99 A N 7.497 130.290 122.820 -0.044 0.000 2.260 99 A HA 0.584 4.905 4.320 0.001 0.000 0.308 99 A C -1.079 176.452 177.584 -0.088 0.000 1.254 99 A CA -0.354 51.680 52.037 -0.005 0.000 0.874 99 A CB 0.184 19.176 19.000 -0.015 0.000 1.153 99 A HN 0.525 nan 8.150 nan 0.000 0.527 100 Y N 1.742 121.985 120.300 -0.095 0.000 2.326 100 Y HA 0.462 5.013 4.550 0.001 0.000 0.337 100 Y C 0.157 175.928 175.900 -0.215 0.000 1.023 100 Y CA -0.242 57.741 58.100 -0.194 0.000 1.143 100 Y CB 1.638 39.748 38.460 -0.583 0.000 1.183 100 Y HN 0.387 nan 8.280 nan 0.000 0.485 101 V N 3.154 123.209 119.914 0.234 0.000 2.540 101 V HA 0.791 4.912 4.120 0.001 0.000 0.302 101 V C -0.356 175.886 176.094 0.246 0.000 1.035 101 V CA -1.092 61.321 62.300 0.188 0.000 0.873 101 V CB 1.615 33.487 31.823 0.082 0.000 0.992 101 V HN 0.841 nan 8.190 nan 0.000 0.428 102 A N 4.342 127.266 122.820 0.174 0.000 2.304 102 A HA 0.893 5.213 4.320 0.001 0.000 0.323 102 A C -1.290 176.195 177.584 -0.165 0.000 1.195 102 A CA -0.342 51.757 52.037 0.102 0.000 0.826 102 A CB 0.622 19.720 19.000 0.162 0.000 1.184 102 A HN 0.731 nan 8.150 nan 0.000 0.496 106 D N 1.614 122.104 120.400 0.151 0.000 2.265 106 D HA -0.069 4.572 4.640 0.001 0.000 0.208 106 D C 2.022 178.377 176.300 0.092 0.000 0.977 106 D CA 1.323 55.416 54.000 0.155 0.000 0.871 106 D CB 0.003 40.939 40.800 0.227 0.000 0.925 106 D HN 0.431 nan 8.370 nan 0.000 0.485 107 L N -0.928 120.278 121.223 -0.028 0.000 2.376 107 L HA 0.009 4.349 4.340 0.001 0.000 0.219 107 L C 0.199 176.748 176.870 -0.536 0.000 1.133 107 L CA 0.308 54.938 54.840 -0.350 0.000 0.816 107 L CB -0.150 41.548 42.059 -0.602 0.000 0.933 107 L HN -0.095 nan 8.230 nan 0.000 0.449 108 F N -0.353 119.559 119.950 -0.063 0.000 2.450 108 F HA 0.304 4.831 4.527 0.001 0.000 0.332 108 F C 0.640 176.467 175.800 0.045 0.000 1.093 108 F CA -1.093 56.864 58.000 -0.072 0.000 1.003 108 F CB 1.038 39.830 39.000 -0.346 0.000 1.151 108 F HN -0.185 nan 8.300 nan 0.000 0.474 109 E N 1.800 122.155 120.200 0.259 0.000 2.344 109 E HA 0.116 4.467 4.350 0.001 0.000 0.270 109 E C -0.804 175.939 176.600 0.238 0.000 1.021 109 E CA -0.563 55.946 56.400 0.182 0.000 0.887 109 E CB 0.582 30.344 29.700 0.103 0.000 0.997 109 E HN 0.508 nan 8.360 nan 0.000 0.429 110 E N 2.504 122.780 120.200 0.127 0.000 2.415 110 E HA 0.191 4.542 4.350 0.001 0.000 0.263 110 E C 0.833 177.208 176.600 -0.375 0.000 0.995 110 E CA 1.268 57.645 56.400 -0.038 0.000 0.915 110 E CB 0.625 30.302 29.700 -0.039 0.000 0.951 110 E HN 0.806 nan 8.360 nan 0.000 0.449 111 G N 2.575 110.730 108.800 -1.076 0.000 2.155 111 G HA2 -0.319 3.641 3.960 0.001 0.000 0.257 111 G HA3 -0.319 3.641 3.960 0.001 0.000 0.257 111 G C 0.283 174.675 174.900 -0.847 0.000 0.983 111 G CA 0.454 44.656 45.100 -1.496 0.000 0.676 111 G HN 0.553 nan 8.290 nan 0.000 0.528 112 S N -0.538 114.929 115.700 -0.389 0.000 2.667 112 S HA 0.533 5.003 4.470 0.001 0.000 0.304 112 S C 1.459 176.235 174.600 0.293 0.000 1.135 112 S CA 0.133 58.374 58.200 0.070 0.000 1.125 112 S CB 1.302 64.541 63.200 0.065 0.000 0.996 112 S HN 0.600 nan 8.310 nan 0.000 0.474 113 V N 4.746 124.822 119.914 0.270 0.000 2.407 113 V HA -0.130 3.990 4.120 0.001 0.000 0.248 113 V C 2.597 178.583 176.094 -0.179 0.000 1.055 113 V CA 2.457 64.718 62.300 -0.064 0.000 1.049 113 V CB -1.089 30.427 31.823 -0.513 0.000 0.662 113 V HN 0.836 nan 8.190 nan 0.000 0.455 114 T N 0.125 114.631 114.554 -0.081 0.000 2.635 114 T HA -0.274 4.077 4.350 0.001 0.000 0.267 114 T C 1.944 176.716 174.700 0.121 0.000 1.040 114 T CA 2.026 64.138 62.100 0.020 0.000 1.156 114 T CB -0.526 68.396 68.868 0.090 0.000 0.863 114 T HN 0.574 nan 8.240 nan 0.000 0.430 115 N N 0.560 119.352 118.700 0.153 0.000 2.120 115 N HA -0.111 4.629 4.740 0.001 0.000 0.188 115 N C 2.095 177.767 175.510 0.270 0.000 1.024 115 N CA 1.316 54.478 53.050 0.186 0.000 0.852 115 N CB -0.227 38.373 38.487 0.188 0.000 1.003 115 N HN 0.415 nan 8.380 nan 0.000 0.424 116 M N -0.503 119.318 119.600 0.368 0.000 2.117 116 M HA -0.146 4.334 4.480 0.001 0.000 0.262 116 M C 1.451 177.938 176.300 0.312 0.000 1.065 116 M CA 1.433 56.989 55.300 0.426 0.000 1.114 116 M CB -0.142 32.641 32.600 0.304 0.000 1.361 116 M HN 0.023 nan 8.290 nan 0.000 0.408 117 F N 0.515 120.474 119.950 0.015 0.000 2.234 117 F HA -0.112 4.415 4.527 0.001 0.000 0.299 117 F C 2.449 178.272 175.800 0.037 0.000 1.087 117 F CA 1.613 59.609 58.000 -0.007 0.000 1.340 117 F CB -1.032 37.933 39.000 -0.058 0.000 1.031 117 F HN 0.175 nan 8.300 nan 0.000 0.500 118 T N -1.255 113.436 114.554 0.229 0.000 2.746 118 T HA -0.165 4.185 4.350 0.001 0.000 0.267 118 T C 2.339 177.094 174.700 0.092 0.000 1.039 118 T CA 1.711 63.896 62.100 0.143 0.000 1.142 118 T CB -0.397 68.540 68.868 0.114 0.000 0.866 118 T HN 0.138 nan 8.240 nan 0.000 0.444 119 S N 0.866 116.605 115.700 0.065 0.000 2.329 119 S HA 0.085 4.555 4.470 0.001 0.000 0.215 119 S C 2.078 176.688 174.600 0.017 0.000 1.031 119 S CA 0.831 59.028 58.200 -0.005 0.000 0.985 119 S CB -0.346 62.771 63.200 -0.139 0.000 0.917 119 S HN 0.381 nan 8.310 nan 0.000 0.441 120 I N 1.454 122.014 120.570 -0.017 0.000 2.315 120 I HA -0.084 4.087 4.170 0.001 0.000 0.248 120 I C 1.751 178.002 176.117 0.222 0.000 1.117 120 I CA 1.035 62.345 61.300 0.016 0.000 1.404 120 I CB -0.093 37.818 38.000 -0.148 0.000 1.071 120 I HN 0.269 nan 8.210 nan 0.000 0.419 121 V N -2.970 117.009 119.914 0.109 0.000 3.380 121 V HA 0.457 4.578 4.120 0.001 0.000 0.307 121 V C 1.687 177.859 176.094 0.129 0.000 1.434 121 V CA 0.344 62.747 62.300 0.173 0.000 1.075 121 V CB -0.369 31.333 31.823 -0.202 0.000 0.954 121 V HN 0.236 nan 8.190 nan 0.000 0.444 122 G N 1.841 110.724 108.800 0.138 0.000 2.480 122 G HA2 -0.196 3.765 3.960 0.001 0.000 0.216 122 G HA3 -0.196 3.765 3.960 0.001 0.000 0.216 122 G C 1.232 176.224 174.900 0.154 0.000 1.200 122 G CA 1.489 46.663 45.100 0.123 0.000 0.782 122 G HN 0.550 nan 8.290 nan 0.000 0.554 123 N N -0.595 118.218 118.700 0.188 0.000 2.382 123 N HA 0.010 4.751 4.740 0.001 0.000 0.200 123 N C 2.296 177.993 175.510 0.311 0.000 1.122 123 N CA 0.906 54.090 53.050 0.224 0.000 0.870 123 N CB 0.245 38.860 38.487 0.214 0.000 1.176 123 N HN 0.268 nan 8.380 nan 0.000 0.474 124 V N -1.072 118.977 119.914 0.225 0.000 2.594 124 V HA -0.071 4.049 4.120 0.001 0.000 0.253 124 V C 1.691 177.829 176.094 0.074 0.000 1.069 124 V CA 1.294 63.602 62.300 0.013 0.000 1.082 124 V CB -1.183 30.427 31.823 -0.354 0.000 0.680 124 V HN -0.064 nan 8.190 nan 0.000 0.469 125 F N 2.534 122.531 119.950 0.078 0.000 2.365 125 F HA 0.240 4.767 4.527 0.001 0.000 0.300 125 F C 2.360 178.280 175.800 0.200 0.000 1.090 125 F CA 1.247 59.324 58.000 0.128 0.000 1.408 125 F CB -0.757 38.311 39.000 0.113 0.000 1.060 125 F HN 0.339 nan 8.300 nan 0.000 0.534 126 G N -1.681 107.326 108.800 0.346 0.000 3.189 126 G HA2 0.026 3.986 3.960 0.001 0.000 0.225 126 G HA3 0.026 3.986 3.960 0.001 0.000 0.225 126 G C 0.149 175.136 174.900 0.146 0.000 1.159 126 G CA -0.251 44.976 45.100 0.213 0.000 0.763 126 G HN 0.017 nan 8.290 nan 0.000 0.549 127 F N 1.356 121.315 119.950 0.015 0.000 2.608 127 F HA 0.171 4.698 4.527 0.001 0.000 0.380 127 F C 1.766 177.558 175.800 -0.013 0.000 1.083 127 F CA 0.256 58.245 58.000 -0.019 0.000 1.266 127 F CB 1.065 40.024 39.000 -0.070 0.000 1.076 127 F HN -0.041 nan 8.300 nan 0.000 0.574 128 K N 2.708 123.099 120.400 -0.016 0.000 2.209 128 K HA -0.126 4.194 4.320 0.001 0.000 0.204 128 K C 1.953 178.592 176.600 0.066 0.000 1.048 128 K CA 1.124 57.413 56.287 0.003 0.000 0.940 128 K CB -0.115 32.351 32.500 -0.058 0.000 0.729 128 K HN 0.713 nan 8.250 nan 0.000 0.451 129 A N 1.191 124.100 122.820 0.148 0.000 2.168 129 A HA -0.000 4.320 4.320 0.001 0.000 0.215 129 A C 0.771 178.400 177.584 0.077 0.000 1.152 129 A CA 0.597 52.710 52.037 0.127 0.000 0.716 129 A CB -0.452 18.656 19.000 0.180 0.000 0.794 129 A HN 0.232 nan 8.150 nan 0.000 0.465 130 L N -5.822 115.449 121.223 0.081 0.000 2.319 130 L HA 0.678 5.018 4.340 0.001 0.000 0.267 130 L C 0.612 177.513 176.870 0.053 0.000 1.011 130 L CA -0.809 54.056 54.840 0.040 0.000 0.818 130 L CB 1.272 43.322 42.059 -0.015 0.000 1.316 130 L HN -0.031 nan 8.230 nan 0.000 0.432 131 R N 1.112 121.640 120.500 0.048 0.000 2.156 131 R HA 0.669 5.010 4.340 0.001 0.000 0.207 131 R C 0.001 176.345 176.300 0.073 0.000 1.040 131 R CA 0.693 56.821 56.100 0.047 0.000 1.013 131 R CB 0.397 30.719 30.300 0.037 0.000 0.931 131 R HN 0.854 nan 8.270 nan 0.000 0.465 132 A N 0.662 123.550 122.820 0.114 0.000 2.608 132 A HA 0.608 4.928 4.320 0.001 0.000 0.292 132 A C -2.098 175.585 177.584 0.164 0.000 1.066 132 A CA -0.622 51.571 52.037 0.261 0.000 0.676 132 A CB 1.635 20.766 19.000 0.217 0.000 1.277 132 A HN 0.039 nan 8.150 nan 0.000 0.413 133 L N 0.483 121.804 121.223 0.162 0.000 2.513 133 L HA 0.787 5.127 4.340 0.001 0.000 0.261 133 L C -0.724 176.031 176.870 -0.192 0.000 0.945 133 L CA -0.096 54.620 54.840 -0.208 0.000 0.848 133 L CB 1.993 43.654 42.059 -0.662 0.000 1.334 133 L HN 0.818 nan 8.230 nan 0.000 0.407 134 R N 3.959 124.442 120.500 -0.029 0.000 2.514 134 R HA 0.495 4.835 4.340 0.001 0.000 0.296 134 R C -1.798 174.555 176.300 0.088 0.000 1.012 134 R CA -0.894 55.271 56.100 0.108 0.000 0.897 134 R CB 1.746 32.093 30.300 0.078 0.000 1.184 134 R HN 0.659 nan 8.270 nan 0.000 0.440 135 L N 4.809 126.117 121.223 0.143 0.000 2.342 135 L HA 0.178 4.519 4.340 0.001 0.000 0.285 135 L C 0.959 177.730 176.870 -0.166 0.000 1.095 135 L CA 0.614 55.347 54.840 -0.178 0.000 0.843 135 L CB 0.838 42.787 42.059 -0.184 0.000 1.201 135 L HN 0.665 nan 8.230 nan 0.000 0.445 136 E N 2.200 122.209 120.200 -0.318 0.000 2.140 136 E HA 0.065 4.415 4.350 0.001 0.000 0.191 136 E C -0.163 176.270 176.600 -0.278 0.000 0.973 136 E CA 0.578 56.784 56.400 -0.323 0.000 0.829 136 E CB 0.389 29.681 29.700 -0.681 0.000 0.781 136 E HN 0.661 nan 8.360 nan 0.000 0.466 137 D N -1.116 119.099 120.400 -0.308 0.000 2.623 137 D HA 0.403 5.044 4.640 0.001 0.000 0.241 137 D C -1.488 174.864 176.300 0.087 0.000 1.241 137 D CA -0.470 53.507 54.000 -0.039 0.000 0.788 137 D CB 1.530 42.367 40.800 0.061 0.000 1.413 137 D HN -0.156 nan 8.370 nan 0.000 0.429 138 L N 1.458 122.746 121.223 0.109 0.000 2.410 138 L HA 0.492 4.832 4.340 0.001 0.000 0.270 138 L C -0.185 176.591 176.870 -0.157 0.000 0.983 138 L CA -0.889 53.913 54.840 -0.063 0.000 0.822 138 L CB 2.248 44.228 42.059 -0.131 0.000 1.285 138 L HN 0.161 nan 8.230 nan 0.000 0.409 139 R N 4.454 124.640 120.500 -0.523 0.000 2.287 139 R HA 0.341 4.681 4.340 0.001 0.000 0.327 139 R C -0.802 175.281 176.300 -0.361 0.000 1.109 139 R CA -0.640 55.156 56.100 -0.506 0.000 1.013 139 R CB 0.262 30.079 30.300 -0.805 0.000 1.126 139 R HN 0.430 nan 8.270 nan 0.000 0.503 140 I N 7.461 127.826 120.570 -0.340 0.000 2.308 140 I HA 0.223 4.394 4.170 0.001 0.000 0.293 140 I C -1.926 174.035 176.117 -0.261 0.000 1.078 140 I CA -2.727 58.403 61.300 -0.284 0.000 1.292 140 I CB 0.699 38.490 38.000 -0.349 0.000 1.423 140 I HN 0.201 nan 8.210 nan 0.000 0.493 141 P HA 0.219 nan 4.420 nan 0.000 0.275 141 P C -2.221 175.061 177.300 -0.030 0.000 1.228 141 P CA -1.479 61.568 63.100 -0.088 0.000 0.786 141 P CB 0.459 32.133 31.700 -0.043 0.000 0.927 142 P HA -0.234 nan 4.420 nan 0.000 0.216 142 P C 1.513 178.854 177.300 0.068 0.000 1.154 142 P CA 2.320 65.434 63.100 0.024 0.000 0.865 142 P CB -0.503 31.219 31.700 0.037 0.000 0.789 143 A N -2.094 120.772 122.820 0.077 0.000 2.024 143 A HA -0.237 4.083 4.320 0.001 0.000 0.220 143 A C 2.227 179.925 177.584 0.189 0.000 1.164 143 A CA 1.530 53.633 52.037 0.109 0.000 0.643 143 A CB -1.655 17.401 19.000 0.092 0.000 0.806 143 A HN 0.176 nan 8.150 nan 0.000 0.451 144 Y N -0.157 120.168 120.300 0.041 0.000 2.301 144 Y HA 0.018 4.568 4.550 0.001 0.000 0.295 144 Y C 2.340 178.375 175.900 0.225 0.000 1.119 144 Y CA 0.866 59.025 58.100 0.097 0.000 1.162 144 Y CB -0.302 38.170 38.460 0.020 0.000 1.046 144 Y HN 0.038 nan 8.280 nan 0.000 0.538 145 V N 0.935 120.907 119.914 0.097 0.000 2.380 145 V HA -0.339 3.782 4.120 0.001 0.000 0.251 145 V C 2.243 178.437 176.094 0.166 0.000 1.063 145 V CA 2.133 64.479 62.300 0.075 0.000 1.055 145 V CB -0.543 31.317 31.823 0.062 0.000 0.657 145 V HN 0.253 nan 8.190 nan 0.000 0.455 146 K N 0.448 120.921 120.400 0.121 0.000 2.442 146 K HA -0.075 4.245 4.320 0.001 0.000 0.198 146 K C 2.114 178.747 176.600 0.056 0.000 1.042 146 K CA 1.496 57.838 56.287 0.092 0.000 0.958 146 K CB -0.717 31.826 32.500 0.073 0.000 0.766 146 K HN 0.760 nan 8.250 nan 0.000 0.474 147 T N -2.019 112.547 114.554 0.020 0.000 3.118 147 T HA 0.057 4.408 4.350 0.001 0.000 0.260 147 T C 0.458 174.972 174.700 -0.309 0.000 1.139 147 T CA -0.055 61.953 62.100 -0.154 0.000 1.085 147 T CB -0.245 68.470 68.868 -0.255 0.000 0.934 147 T HN -0.151 nan 8.240 nan 0.000 0.518 148 F N 0.535 120.402 119.950 -0.139 0.000 2.436 148 F HA 0.528 5.056 4.527 0.001 0.000 0.340 148 F C 1.294 177.050 175.800 -0.072 0.000 1.113 148 F CA -1.312 56.616 58.000 -0.120 0.000 1.022 148 F CB 1.677 40.591 39.000 -0.144 0.000 1.128 148 F HN -0.256 nan 8.300 nan 0.000 0.466 149 V N 2.763 122.723 119.914 0.076 0.000 2.332 149 V HA -0.072 4.049 4.120 0.001 0.000 0.248 149 V C 1.423 177.538 176.094 0.036 0.000 1.055 149 V CA 1.743 64.061 62.300 0.031 0.000 1.038 149 V CB -1.324 30.496 31.823 -0.005 0.000 0.651 149 V HN 1.159 nan 8.190 nan 0.000 0.450 153 H N -0.928 118.120 119.070 -0.037 0.000 1.775 153 H HA 0.473 5.030 4.556 0.001 0.000 0.164 153 H C 0.999 176.317 175.328 -0.017 0.000 0.968 153 H CA 1.158 57.194 56.048 -0.021 0.000 1.007 153 H CB 0.461 30.215 29.762 -0.014 0.000 0.967 153 H HN 0.265 nan 8.280 nan 0.000 0.327 154 G N 1.308 110.170 108.800 0.104 0.000 2.746 154 G HA2 -0.203 3.757 3.960 0.001 0.000 0.685 154 G HA3 -0.203 3.757 3.960 0.001 0.000 0.685 154 G C 0.873 175.814 174.900 0.068 0.000 1.350 154 G CA -0.044 45.081 45.100 0.042 0.000 0.837 154 G HN 0.210 nan 8.290 nan 0.000 0.564 155 I N 0.165 120.759 120.570 0.041 0.000 2.087 155 I HA -0.328 3.842 4.170 0.001 0.000 0.240 155 I C 2.953 179.113 176.117 0.072 0.000 1.054 155 I CA 2.599 63.930 61.300 0.052 0.000 1.311 155 I CB -0.297 37.721 38.000 0.030 0.000 1.024 155 I HN 0.788 nan 8.210 nan 0.000 0.402 156 Q N 0.888 120.731 119.800 0.071 0.000 2.045 156 Q HA -0.222 4.118 4.340 0.001 0.000 0.206 156 Q C 2.366 178.427 176.000 0.101 0.000 0.991 156 Q CA 2.641 58.499 55.803 0.091 0.000 0.851 156 Q CB -0.110 28.674 28.738 0.076 0.000 0.911 156 Q HN 0.407 nan 8.270 nan 0.000 0.418 157 V N 1.273 121.241 119.914 0.090 0.000 2.343 157 V HA -0.254 3.866 4.120 0.001 0.000 0.247 157 V C 2.363 178.489 176.094 0.054 0.000 1.051 157 V CA 2.230 64.582 62.300 0.087 0.000 1.036 157 V CB -0.795 31.100 31.823 0.120 0.000 0.654 157 V HN 0.514 nan 8.190 nan 0.000 0.451 158 E N 0.385 120.621 120.200 0.061 0.000 2.058 158 E HA -0.260 4.090 4.350 0.001 0.000 0.194 158 E C 2.465 179.080 176.600 0.025 0.000 0.997 158 E CA 1.476 57.901 56.400 0.042 0.000 0.801 158 E CB -0.121 29.643 29.700 0.107 0.000 0.746 158 E HN 0.497 nan 8.360 nan 0.000 0.450 159 R N 0.319 120.832 120.500 0.021 0.000 2.091 159 R HA -0.142 4.198 4.340 0.001 0.000 0.238 159 R C 2.037 178.237 176.300 -0.168 0.000 1.136 159 R CA 1.602 57.641 56.100 -0.101 0.000 0.959 159 R CB -0.241 30.048 30.300 -0.019 0.000 0.856 159 R HN 0.308 nan 8.270 nan 0.000 0.437 160 D N 0.387 120.820 120.400 0.055 0.000 2.144 160 D HA -0.119 4.522 4.640 0.001 0.000 0.199 160 D C 1.653 177.982 176.300 0.049 0.000 0.984 160 D CA 1.278 55.362 54.000 0.140 0.000 0.834 160 D CB 0.028 40.922 40.800 0.157 0.000 0.955 160 D HN 0.213 nan 8.370 nan 0.000 0.465 161 K N -0.093 120.308 120.400 0.001 0.000 2.167 161 K HA 0.101 4.422 4.320 0.001 0.000 0.203 161 K C 2.041 178.627 176.600 -0.022 0.000 1.052 161 K CA 0.295 56.572 56.287 -0.016 0.000 0.956 161 K CB 0.202 32.664 32.500 -0.064 0.000 0.735 161 K HN 0.125 nan 8.250 nan 0.000 0.451 162 L N 0.533 121.727 121.223 -0.048 0.000 2.509 162 L HA 0.017 4.357 4.340 0.001 0.000 0.222 162 L C 0.503 177.299 176.870 -0.124 0.000 1.123 162 L CA 0.057 54.861 54.840 -0.060 0.000 0.856 162 L CB -0.418 41.618 42.059 -0.039 0.000 0.985 162 L HN 0.391 nan 8.230 nan 0.000 0.456 163 N N 1.505 120.096 118.700 -0.182 0.000 2.738 163 N HA -0.185 4.556 4.740 0.001 0.000 0.249 163 N C -0.562 174.709 175.510 -0.399 0.000 1.047 163 N CA 0.392 53.316 53.050 -0.210 0.000 0.707 163 N CB -0.395 38.086 38.487 -0.011 0.000 0.937 163 N HN 0.370 nan 8.380 nan 0.000 0.545 164 K N 1.607 121.558 120.400 -0.748 0.000 2.502 164 K HA 0.398 4.719 4.320 0.001 0.000 0.254 164 K C -1.485 174.687 176.600 -0.714 0.000 0.947 164 K CA -0.376 55.593 56.287 -0.529 0.000 0.834 164 K CB 1.097 33.430 32.500 -0.278 0.000 1.112 164 K HN 0.129 nan 8.250 nan 0.000 0.427 165 Y N -0.549 119.758 120.300 0.012 0.000 2.562 165 Y HA 0.454 5.004 4.550 0.001 0.000 0.345 165 Y C 0.973 176.881 175.900 0.013 0.000 1.045 165 Y CA -0.861 57.248 58.100 0.016 0.000 1.028 165 Y CB 2.562 41.031 38.460 0.015 0.000 1.297 165 Y HN 0.749 nan 8.280 nan 0.000 0.463 166 G N 1.544 110.451 108.800 0.179 0.000 2.141 166 G HA2 -0.172 3.789 3.960 0.001 0.000 0.242 166 G HA3 -0.172 3.789 3.960 0.001 0.000 0.242 166 G C -0.270 174.671 174.900 0.069 0.000 0.982 166 G CA 0.148 45.312 45.100 0.106 0.000 0.662 166 G HN 0.937 nan 8.290 nan 0.000 0.527 167 R N -1.513 119.023 120.500 0.060 0.000 2.728 167 R HA 0.614 4.955 4.340 0.001 0.000 0.274 167 R C 0.350 176.673 176.300 0.039 0.000 1.032 167 R CA -0.490 55.637 56.100 0.044 0.000 0.866 167 R CB 0.100 30.419 30.300 0.032 0.000 1.263 167 R HN 1.026 nan 8.270 nan 0.000 0.475 168 G N 1.385 110.211 108.800 0.042 0.000 2.594 168 G HA2 0.367 4.327 3.960 0.001 0.000 0.243 168 G HA3 0.367 4.327 3.960 0.001 0.000 0.243 168 G C -0.174 174.742 174.900 0.026 0.000 1.229 168 G CA -0.839 44.281 45.100 0.034 0.000 0.843 168 G HN 0.381 nan 8.290 nan 0.000 0.578 169 L N 0.131 121.369 121.223 0.025 0.000 2.399 169 L HA 0.447 4.787 4.340 0.001 0.000 0.266 169 L C 0.092 177.005 176.870 0.071 0.000 1.114 169 L CA -0.555 54.310 54.840 0.042 0.000 0.804 169 L CB 1.202 43.336 42.059 0.124 0.000 1.146 169 L HN 0.219 nan 8.230 nan 0.000 0.451 170 L N 1.549 122.810 121.223 0.063 0.000 2.333 170 L HA 0.678 5.018 4.340 0.001 0.000 0.280 170 L C 0.311 177.257 176.870 0.126 0.000 1.004 170 L CA -0.249 54.658 54.840 0.112 0.000 0.820 170 L CB 1.742 43.858 42.059 0.096 0.000 1.247 170 L HN 0.715 nan 8.230 nan 0.000 0.416 171 G N 0.893 109.779 108.800 0.144 0.000 3.108 171 G HA2 0.661 4.621 3.960 0.001 0.000 0.268 171 G HA3 0.661 4.621 3.960 0.001 0.000 0.268 171 G C -1.757 173.174 174.900 0.052 0.000 1.361 171 G CA -0.533 44.621 45.100 0.089 0.000 1.047 171 G HN 0.695 nan 8.290 nan 0.000 0.540 172 C N -0.353 118.927 119.300 -0.034 0.000 3.146 172 C HA 0.652 5.113 4.460 0.001 0.000 0.405 172 C C -0.525 174.434 174.990 -0.053 0.000 1.012 172 C CA -0.494 58.524 59.018 -0.001 0.000 1.217 172 C CB 0.585 28.345 27.740 0.032 0.000 1.599 172 C HN 0.830 nan 8.230 nan 0.000 0.567 173 T N 7.168 121.716 114.554 -0.010 0.000 2.744 173 T HA 0.434 4.784 4.350 0.001 0.000 0.291 173 T C 0.459 175.163 174.700 0.007 0.000 0.957 173 T CA -0.337 61.765 62.100 0.005 0.000 1.002 173 T CB 0.459 69.359 68.868 0.054 0.000 0.919 173 T HN 0.600 nan 8.240 nan 0.000 0.468 174 I N 3.979 124.536 120.570 -0.021 0.000 2.815 174 I HA 0.150 4.320 4.170 0.001 0.000 0.291 174 I C 0.666 176.762 176.117 -0.035 0.000 1.209 174 I CA 0.342 61.568 61.300 -0.123 0.000 1.431 174 I CB -0.184 37.516 38.000 -0.500 0.000 1.351 174 I HN 0.464 nan 8.210 nan 0.000 0.585 175 K N 6.264 126.643 120.400 -0.035 0.000 2.477 175 K HA 0.546 4.866 4.320 0.001 0.000 0.255 175 K C -2.488 174.117 176.600 0.008 0.000 0.952 175 K CA -1.628 54.671 56.287 0.019 0.000 0.826 175 K CB 1.671 34.195 32.500 0.041 0.000 1.331 175 K HN 0.265 nan 8.250 nan 0.000 0.437 176 P HA 0.167 nan 4.420 nan 0.000 0.269 176 P C 0.364 177.698 177.300 0.056 0.000 1.215 176 P CA -0.208 62.909 63.100 0.027 0.000 0.780 176 P CB 0.935 32.633 31.700 -0.003 0.000 0.898 177 K N 0.319 120.752 120.400 0.055 0.000 2.000 177 K HA -0.119 4.201 4.320 0.001 0.000 0.218 177 K C 0.847 177.518 176.600 0.119 0.000 1.053 177 K CA 1.390 57.730 56.287 0.089 0.000 0.946 177 K CB -0.375 32.160 32.500 0.059 0.000 0.723 177 K HN 0.395 nan 8.250 nan 0.000 0.446 178 L N -2.318 118.912 121.223 0.012 0.000 2.286 178 L HA 0.412 4.752 4.340 0.001 0.000 0.265 178 L C 0.962 177.544 176.870 -0.480 0.000 1.012 178 L CA -0.232 54.522 54.840 -0.143 0.000 0.818 178 L CB 2.028 44.030 42.059 -0.096 0.000 1.337 178 L HN 0.540 nan 8.230 nan 0.000 0.438 179 G N 0.565 108.576 108.800 -1.315 0.000 2.213 179 G HA2 -0.198 3.762 3.960 0.001 0.000 0.226 179 G HA3 -0.198 3.762 3.960 0.001 0.000 0.226 179 G C -0.081 174.611 174.900 -0.347 0.000 0.992 179 G CA -0.497 44.032 45.100 -0.951 0.000 0.632 179 G HN 0.308 nan 8.290 nan 0.000 0.511 180 L N 2.392 123.580 121.223 -0.059 0.000 2.371 180 L HA 0.520 4.861 4.340 0.001 0.000 0.272 180 L C 1.537 178.602 176.870 0.324 0.000 1.124 180 L CA 0.082 55.026 54.840 0.174 0.000 0.816 180 L CB 1.341 43.571 42.059 0.285 0.000 1.129 180 L HN 0.487 nan 8.230 nan 0.000 0.448 181 S N 1.901 117.738 115.700 0.228 0.000 2.614 181 S HA 0.267 4.737 4.470 0.001 0.000 0.265 181 S C 1.103 175.827 174.600 0.206 0.000 1.303 181 S CA -0.145 58.178 58.200 0.207 0.000 1.000 181 S CB 1.577 64.843 63.200 0.109 0.000 0.935 181 S HN 0.712 nan 8.310 nan 0.000 0.551 182 A N 1.931 124.857 122.820 0.177 0.000 1.892 182 A HA -0.165 4.156 4.320 0.001 0.000 0.218 182 A C 2.133 179.772 177.584 0.092 0.000 1.188 182 A CA 2.244 54.418 52.037 0.228 0.000 0.631 182 A CB -1.193 18.017 19.000 0.350 0.000 0.822 182 A HN 0.981 nan 8.150 nan 0.000 0.447 183 K N -0.072 120.156 120.400 -0.287 0.000 2.057 183 K HA -0.155 4.166 4.320 0.001 0.000 0.207 183 K C 1.713 178.145 176.600 -0.279 0.000 1.049 183 K CA 1.903 57.723 56.287 -0.778 0.000 0.931 183 K CB -0.255 31.791 32.500 -0.757 0.000 0.714 183 K HN 0.437 nan 8.250 nan 0.000 0.440 184 N N -0.512 118.136 118.700 -0.086 0.000 2.244 184 N HA -0.143 4.597 4.740 0.001 0.000 0.183 184 N C 1.518 177.057 175.510 0.048 0.000 1.016 184 N CA 0.988 54.033 53.050 -0.008 0.000 0.866 184 N CB -0.332 38.171 38.487 0.026 0.000 0.980 184 N HN 0.253 nan 8.380 nan 0.000 0.430 185 Y N 1.312 121.615 120.300 0.006 0.000 2.097 185 Y HA -0.137 4.414 4.550 0.001 0.000 0.282 185 Y C 2.459 178.365 175.900 0.011 0.000 1.152 185 Y CA 1.925 60.050 58.100 0.042 0.000 1.136 185 Y CB -0.666 37.849 38.460 0.091 0.000 0.975 185 Y HN 0.076 nan 8.280 nan 0.000 0.498 186 G N -0.598 108.305 108.800 0.172 0.000 2.432 186 G HA2 -0.304 3.657 3.960 0.001 0.000 0.219 186 G HA3 -0.304 3.657 3.960 0.001 0.000 0.219 186 G C 1.730 176.669 174.900 0.065 0.000 1.135 186 G CA 0.884 46.047 45.100 0.104 0.000 0.767 186 G HN 0.365 nan 8.290 nan 0.000 0.550 187 R N 0.581 121.093 120.500 0.021 0.000 2.073 187 R HA 0.025 4.365 4.340 0.001 0.000 0.234 187 R C 2.787 179.122 176.300 0.058 0.000 1.134 187 R CA 1.657 57.788 56.100 0.051 0.000 0.952 187 R CB -0.462 29.839 30.300 0.002 0.000 0.850 187 R HN 0.245 nan 8.270 nan 0.000 0.433 188 A N 0.317 123.129 122.820 -0.015 0.000 1.930 188 A HA -0.062 4.258 4.320 0.001 0.000 0.217 188 A C 2.269 179.822 177.584 -0.052 0.000 1.175 188 A CA 1.439 53.443 52.037 -0.056 0.000 0.627 188 A CB -0.415 18.505 19.000 -0.132 0.000 0.815 188 A HN 0.245 nan 8.150 nan 0.000 0.443 189 V N -1.160 118.730 119.914 -0.041 0.000 2.261 189 V HA -0.279 3.841 4.120 0.001 0.000 0.246 189 V C 2.361 178.482 176.094 0.045 0.000 1.047 189 V CA 2.148 64.448 62.300 -0.000 0.000 1.015 189 V CB -1.066 30.735 31.823 -0.036 0.000 0.642 189 V HN 0.742 nan 8.190 nan 0.000 0.446 190 Y N 1.575 121.863 120.300 -0.021 0.000 2.097 190 Y HA -0.244 4.306 4.550 0.001 0.000 0.282 190 Y C 2.579 178.474 175.900 -0.009 0.000 1.152 190 Y CA 2.061 60.156 58.100 -0.008 0.000 1.136 190 Y CB -0.417 38.044 38.460 0.001 0.000 0.975 190 Y HN 0.275 nan 8.280 nan 0.000 0.498 191 E N -0.057 119.947 120.200 -0.327 0.000 2.110 191 E HA -0.157 4.193 4.350 0.001 0.000 0.193 191 E C 2.358 178.801 176.600 -0.263 0.000 0.988 191 E CA 1.411 57.572 56.400 -0.399 0.000 0.804 191 E CB -0.371 29.233 29.700 -0.161 0.000 0.745 191 E HN 0.515 nan 8.360 nan 0.000 0.458 192 S N 0.894 116.503 115.700 -0.152 0.000 2.371 192 S HA -0.002 4.468 4.470 0.001 0.000 0.224 192 S C 2.183 176.723 174.600 -0.100 0.000 1.029 192 S CA 0.485 58.627 58.200 -0.096 0.000 0.978 192 S CB -0.132 63.041 63.200 -0.044 0.000 0.833 192 S HN 0.157 nan 8.310 nan 0.000 0.466 193 L N 1.778 122.945 121.223 -0.094 0.000 2.093 193 L HA -0.093 4.248 4.340 0.001 0.000 0.208 193 L C 2.637 179.444 176.870 -0.104 0.000 1.085 193 L CA 1.302 56.099 54.840 -0.072 0.000 0.755 193 L CB -0.503 41.545 42.059 -0.018 0.000 0.904 193 L HN 0.374 nan 8.230 nan 0.000 0.435 194 R N 0.252 120.637 120.500 -0.192 0.000 2.285 194 R HA -0.045 4.295 4.340 0.001 0.000 0.213 194 R C 1.794 178.011 176.300 -0.138 0.000 1.068 194 R CA 1.158 57.147 56.100 -0.185 0.000 1.004 194 R CB -0.564 29.510 30.300 -0.377 0.000 0.873 194 R HN 0.244 nan 8.270 nan 0.000 0.467 195 G N -0.563 108.155 108.800 -0.137 0.000 2.939 195 G HA2 0.270 4.231 3.960 0.001 0.000 0.210 195 G HA3 0.270 4.231 3.960 0.001 0.000 0.210 195 G C 0.887 175.741 174.900 -0.078 0.000 1.160 195 G CA 0.253 45.289 45.100 -0.107 0.000 0.770 195 G HN 0.550 nan 8.290 nan 0.000 0.543 196 G N -0.665 108.093 108.800 -0.071 0.000 2.425 196 G HA2 -0.160 3.800 3.960 0.001 0.000 0.177 196 G HA3 -0.160 3.800 3.960 0.001 0.000 0.177 196 G C 0.272 175.135 174.900 -0.062 0.000 0.999 196 G CA -0.387 44.678 45.100 -0.057 0.000 0.723 196 G HN 0.304 nan 8.290 nan 0.000 0.491 197 L N 1.553 122.738 121.223 -0.063 0.000 2.426 197 L HA 0.322 4.663 4.340 0.001 0.000 0.271 197 L C 1.079 177.878 176.870 -0.117 0.000 1.169 197 L CA -0.513 54.292 54.840 -0.058 0.000 0.836 197 L CB 0.589 42.632 42.059 -0.026 0.000 1.112 197 L HN 0.034 nan 8.230 nan 0.000 0.465 198 D N 1.663 121.948 120.400 -0.192 0.000 2.162 198 D HA 0.025 4.665 4.640 0.001 0.000 0.203 198 D C -0.058 175.899 176.300 -0.572 0.000 0.967 198 D CA 1.538 55.271 54.000 -0.444 0.000 0.840 198 D CB 0.302 40.724 40.800 -0.628 0.000 0.972 198 D HN 0.150 nan 8.370 nan 0.000 0.482 199 F N -0.031 119.883 119.950 -0.059 0.000 2.588 199 F HA 0.310 4.837 4.527 0.001 0.000 0.314 199 F C 0.715 176.366 175.800 -0.248 0.000 1.069 199 F CA -1.017 56.878 58.000 -0.175 0.000 0.931 199 F CB 1.855 40.696 39.000 -0.265 0.000 1.260 199 F HN -0.321 nan 8.300 nan 0.000 0.465 203 D N 1.211 121.747 120.400 0.227 0.000 2.399 203 D HA -0.011 4.630 4.640 0.001 0.000 0.241 203 D C 1.545 177.844 176.300 -0.002 0.000 1.133 203 D CA 0.021 54.085 54.000 0.106 0.000 0.890 203 D CB 1.097 41.974 40.800 0.128 0.000 1.201 203 D HN 0.404 nan 8.370 nan 0.000 0.432 204 E N 2.845 122.930 120.200 -0.193 0.000 2.187 204 E HA -0.286 4.065 4.350 0.001 0.000 0.199 204 E C 0.675 177.165 176.600 -0.184 0.000 1.004 204 E CA 1.376 57.534 56.400 -0.403 0.000 0.813 204 E CB -0.385 28.666 29.700 -1.082 0.000 0.736 204 E HN 0.521 nan 8.360 nan 0.000 0.468 205 N N 0.881 119.530 118.700 -0.085 0.000 2.280 205 N HA 0.010 4.750 4.740 0.001 0.000 0.192 205 N C 0.005 175.546 175.510 0.052 0.000 1.109 205 N CA -0.083 52.956 53.050 -0.018 0.000 0.855 205 N CB 0.155 38.644 38.487 0.002 0.000 0.974 205 N HN -0.039 nan 8.380 nan 0.000 0.482 206 V N 1.931 121.891 119.914 0.076 0.000 2.387 206 V HA 0.171 4.291 4.120 0.001 0.000 0.260 206 V C 0.318 176.452 176.094 0.067 0.000 1.054 206 V CA -0.124 62.240 62.300 0.108 0.000 0.967 206 V CB -0.380 31.524 31.823 0.136 0.000 1.036 206 V HN 0.322 nan 8.190 nan 0.000 0.481 207 N N 2.635 121.357 118.700 0.038 0.000 3.039 207 N HA 0.253 4.993 4.740 0.001 0.000 0.188 207 N C -0.193 175.341 175.510 0.040 0.000 1.310 207 N CA -0.300 52.768 53.050 0.029 0.000 1.111 207 N CB 0.667 39.147 38.487 -0.011 0.000 1.311 207 N HN 0.505 nan 8.380 nan 0.000 0.490 208 S N 0.202 115.899 115.700 -0.005 0.000 2.668 208 S HA 0.451 4.921 4.470 0.001 0.000 0.277 208 S C -1.896 172.627 174.600 -0.128 0.000 1.170 208 S CA -0.413 57.786 58.200 -0.001 0.000 0.994 208 S CB 1.262 64.585 63.200 0.204 0.000 1.051 208 S HN 0.272 nan 8.310 nan 0.000 0.484 209 Q N 3.304 122.915 119.800 -0.314 0.000 2.511 209 Q HA 0.467 4.808 4.340 0.001 0.000 0.289 209 Q C -2.148 173.584 176.000 -0.447 0.000 1.021 209 Q CA -1.722 53.824 55.803 -0.428 0.000 0.785 209 Q CB 1.664 29.983 28.738 -0.698 0.000 1.472 209 Q HN 0.275 nan 8.270 nan 0.000 0.411 210 P HA -0.199 nan 4.420 nan 0.000 0.216 210 P C 0.652 177.900 177.300 -0.086 0.000 1.154 210 P CA 1.467 64.501 63.100 -0.110 0.000 0.865 210 P CB 0.017 31.722 31.700 0.009 0.000 0.789 211 F N -2.459 117.504 119.950 0.021 0.000 2.502 211 F HA 0.241 4.768 4.527 0.001 0.000 0.298 211 F C 0.993 176.809 175.800 0.028 0.000 1.111 211 F CA 0.204 58.219 58.000 0.026 0.000 1.445 211 F CB -0.602 38.419 39.000 0.035 0.000 1.081 211 F HN -0.170 nan 8.300 nan 0.000 0.558 212 M N 1.364 120.728 119.600 -0.392 0.000 2.331 212 M HA 0.336 4.817 4.480 0.001 0.000 0.228 212 M C -1.452 174.697 176.300 -0.252 0.000 0.986 212 M CA -0.522 54.667 55.300 -0.185 0.000 0.972 212 M CB 1.043 33.636 32.600 -0.012 0.000 2.359 212 M HN -0.193 nan 8.290 nan 0.000 0.459 213 R N 3.853 124.253 120.500 -0.166 0.000 2.441 213 R HA 0.241 4.582 4.340 0.001 0.000 0.284 213 R C 1.105 177.289 176.300 -0.193 0.000 1.070 213 R CA -0.180 55.807 56.100 -0.189 0.000 1.047 213 R CB 0.620 30.780 30.300 -0.233 0.000 1.016 213 R HN 0.953 nan 8.270 nan 0.000 0.477 214 W N 4.249 125.426 121.300 -0.205 0.000 2.338 214 W HA -0.185 4.475 4.660 0.001 0.000 0.304 214 W C 1.096 177.394 176.519 -0.368 0.000 1.212 214 W CA 0.782 57.965 57.345 -0.270 0.000 1.264 214 W CB -0.452 28.771 29.460 -0.395 0.000 1.142 214 W HN 0.556 nan 8.180 nan 0.000 0.512 215 R N 0.944 120.622 120.500 -1.369 0.000 2.090 215 R HA -0.124 4.216 4.340 0.001 0.000 0.228 215 R C 1.904 177.922 176.300 -0.470 0.000 1.110 215 R CA 1.865 57.233 56.100 -1.219 0.000 0.973 215 R CB -0.341 29.054 30.300 -1.508 0.000 0.869 215 R HN -0.005 nan 8.270 nan 0.000 0.440 216 D N 0.095 120.279 120.400 -0.361 0.000 2.092 216 D HA -0.221 4.419 4.640 0.001 0.000 0.193 216 D C 1.851 178.158 176.300 0.011 0.000 0.994 216 D CA 1.156 55.048 54.000 -0.180 0.000 0.828 216 D CB -0.255 40.512 40.800 -0.054 0.000 0.963 216 D HN 0.225 nan 8.370 nan 0.000 0.450 217 R N -0.193 120.373 120.500 0.110 0.000 2.094 217 R HA -0.177 4.163 4.340 0.001 0.000 0.239 217 R C 2.350 178.843 176.300 0.322 0.000 1.137 217 R CA 1.259 57.502 56.100 0.238 0.000 0.943 217 R CB -0.389 30.014 30.300 0.173 0.000 0.850 217 R HN 0.045 nan 8.270 nan 0.000 0.433 218 F N 0.644 120.625 119.950 0.052 0.000 2.126 218 F HA -0.174 4.353 4.527 0.001 0.000 0.299 218 F C 2.133 177.946 175.800 0.021 0.000 1.096 218 F CA 0.984 59.035 58.000 0.085 0.000 1.255 218 F CB -0.739 38.366 39.000 0.175 0.000 0.997 218 F HN 0.059 nan 8.300 nan 0.000 0.479 219 L N -1.529 119.767 121.223 0.122 0.000 2.027 219 L HA -0.186 4.155 4.340 0.001 0.000 0.206 219 L C 2.299 179.144 176.870 -0.042 0.000 1.074 219 L CA 1.523 56.338 54.840 -0.042 0.000 0.745 219 L CB -0.921 40.994 42.059 -0.241 0.000 0.898 219 L HN -0.052 nan 8.230 nan 0.000 0.433 220 F N -1.465 118.520 119.950 0.058 0.000 2.186 220 F HA -0.163 4.365 4.527 0.001 0.000 0.299 220 F C 2.386 178.200 175.800 0.023 0.000 1.090 220 F CA 0.949 58.975 58.000 0.042 0.000 1.307 220 F CB -1.033 37.998 39.000 0.052 0.000 1.019 220 F HN -0.177 nan 8.300 nan 0.000 0.489 221 V N -0.232 119.791 119.914 0.181 0.000 2.358 221 V HA -0.279 3.841 4.120 0.001 0.000 0.246 221 V C 2.589 178.661 176.094 -0.036 0.000 1.047 221 V CA 1.600 63.904 62.300 0.006 0.000 1.035 221 V CB -1.289 30.436 31.823 -0.165 0.000 0.658 221 V HN 0.338 nan 8.190 nan 0.000 0.452 222 A N -0.487 122.324 122.820 -0.015 0.000 1.883 222 A HA -0.313 4.007 4.320 0.001 0.000 0.217 222 A C 2.291 179.862 177.584 -0.021 0.000 1.186 222 A CA 2.196 54.183 52.037 -0.084 0.000 0.624 222 A CB -0.587 18.448 19.000 0.058 0.000 0.822 222 A HN 0.607 nan 8.150 nan 0.000 0.444 223 E N -0.329 119.933 120.200 0.102 0.000 2.085 223 E HA -0.175 4.175 4.350 0.001 0.000 0.194 223 E C 2.192 178.848 176.600 0.094 0.000 0.994 223 E CA 1.107 57.592 56.400 0.143 0.000 0.801 223 E CB -0.239 29.554 29.700 0.155 0.000 0.743 223 E HN 0.562 nan 8.360 nan 0.000 0.453 224 A N 0.909 123.773 122.820 0.074 0.000 1.898 224 A HA -0.149 4.172 4.320 0.001 0.000 0.216 224 A C 2.142 179.778 177.584 0.088 0.000 1.181 224 A CA 1.152 53.246 52.037 0.096 0.000 0.620 224 A CB -0.552 18.518 19.000 0.117 0.000 0.819 224 A HN 0.290 nan 8.150 nan 0.000 0.442 225 I N -1.777 118.769 120.570 -0.041 0.000 2.179 225 I HA -0.284 3.886 4.170 0.001 0.000 0.242 225 I C 2.308 178.396 176.117 -0.048 0.000 1.088 225 I CA 1.433 62.666 61.300 -0.110 0.000 1.357 225 I CB -0.367 37.441 38.000 -0.319 0.000 1.051 225 I HN 0.381 nan 8.210 nan 0.000 0.409 226 Y N 0.609 120.953 120.300 0.073 0.000 2.314 226 Y HA -0.148 4.402 4.550 0.001 0.000 0.293 226 Y C 2.498 178.429 175.900 0.052 0.000 1.129 226 Y CA 0.894 59.026 58.100 0.054 0.000 1.201 226 Y CB -0.605 37.879 38.460 0.040 0.000 0.999 226 Y HN 0.088 nan 8.280 nan 0.000 0.541 227 K N 0.260 120.770 120.400 0.183 0.000 2.025 227 K HA -0.127 4.193 4.320 0.001 0.000 0.207 227 K C 2.299 179.021 176.600 0.203 0.000 1.049 227 K CA 1.126 57.478 56.287 0.108 0.000 0.933 227 K CB -0.231 32.214 32.500 -0.092 0.000 0.714 227 K HN 0.208 nan 8.250 nan 0.000 0.438 228 A N 1.134 124.120 122.820 0.277 0.000 1.933 228 A HA -0.234 4.087 4.320 0.001 0.000 0.218 228 A C 2.072 179.736 177.584 0.133 0.000 1.175 228 A CA 1.680 53.861 52.037 0.239 0.000 0.628 228 A CB -0.594 18.506 19.000 0.166 0.000 0.814 228 A HN 0.564 nan 8.150 nan 0.000 0.444 229 Q N -0.673 119.202 119.800 0.126 0.000 2.119 229 Q HA -0.078 4.262 4.340 0.001 0.000 0.201 229 Q C 2.144 178.201 176.000 0.096 0.000 0.972 229 Q CA 1.423 57.287 55.803 0.102 0.000 0.847 229 Q CB -0.312 28.509 28.738 0.139 0.000 0.903 229 Q HN 0.609 nan 8.270 nan 0.000 0.433 230 A N 0.579 123.467 122.820 0.113 0.000 1.930 230 A HA -0.207 4.114 4.320 0.001 0.000 0.217 230 A C 1.855 179.483 177.584 0.074 0.000 1.175 230 A CA 1.507 53.594 52.037 0.084 0.000 0.627 230 A CB -0.538 18.509 19.000 0.078 0.000 0.815 230 A HN 0.586 nan 8.150 nan 0.000 0.443 231 E N -0.386 119.872 120.200 0.096 0.000 2.072 231 E HA -0.157 4.193 4.350 0.001 0.000 0.191 231 E C 2.019 178.655 176.600 0.059 0.000 0.985 231 E CA 1.782 58.236 56.400 0.090 0.000 0.801 231 E CB -0.047 29.740 29.700 0.145 0.000 0.750 231 E HN 0.723 nan 8.360 nan 0.000 0.452 232 T N -3.952 110.633 114.554 0.050 0.000 3.044 232 T HA 0.232 4.582 4.350 0.001 0.000 0.255 232 T C 1.566 176.280 174.700 0.023 0.000 1.073 232 T CA 0.635 62.751 62.100 0.026 0.000 1.125 232 T CB 0.473 69.346 68.868 0.009 0.000 0.908 232 T HN 0.327 nan 8.240 nan 0.000 0.480 233 G N 1.275 110.094 108.800 0.031 0.000 2.162 233 G HA2 -0.226 3.734 3.960 0.001 0.000 0.260 233 G HA3 -0.226 3.734 3.960 0.001 0.000 0.260 233 G C -0.249 174.661 174.900 0.017 0.000 0.976 233 G CA 0.274 45.390 45.100 0.027 0.000 0.655 233 G HN 0.678 nan 8.290 nan 0.000 0.533 234 E N -0.420 119.785 120.200 0.007 0.000 2.202 234 E HA 0.528 4.879 4.350 0.001 0.000 0.272 234 E C 0.338 176.929 176.600 -0.016 0.000 0.951 234 E CA -1.055 55.336 56.400 -0.014 0.000 0.813 234 E CB 2.412 32.090 29.700 -0.037 0.000 1.151 234 E HN 0.065 nan 8.360 nan 0.000 0.398 235 V N 3.845 123.741 119.914 -0.029 0.000 2.617 235 V HA -0.035 4.085 4.120 0.001 0.000 0.304 235 V C 0.265 176.314 176.094 -0.074 0.000 1.040 235 V CA 0.556 62.841 62.300 -0.024 0.000 1.149 235 V CB -0.075 31.730 31.823 -0.029 0.000 0.914 235 V HN 0.520 nan 8.190 nan 0.000 0.487 236 K N 3.229 123.609 120.400 -0.034 0.000 2.340 236 K HA 0.826 5.147 4.320 0.001 0.000 0.244 236 K C 0.031 176.640 176.600 0.015 0.000 0.973 236 K CA -0.412 55.838 56.287 -0.062 0.000 0.828 236 K CB 2.456 34.942 32.500 -0.023 0.000 1.226 236 K HN 0.828 nan 8.250 nan 0.000 0.437 237 G N 0.124 108.984 108.800 0.100 0.000 2.695 237 G HA2 0.412 4.372 3.960 0.001 0.000 0.290 237 G HA3 0.412 4.372 3.960 0.001 0.000 0.290 237 G C -1.882 173.217 174.900 0.333 0.000 1.410 237 G CA -0.263 45.015 45.100 0.298 0.000 0.844 237 G HN 0.562 nan 8.290 nan 0.000 0.478 238 H N 0.240 119.379 119.070 0.116 0.000 3.096 238 H HA 0.275 4.831 4.556 0.001 0.000 0.335 238 H C -1.157 174.172 175.328 0.002 0.000 0.990 238 H CA -0.571 55.466 56.048 -0.018 0.000 1.393 238 H CB 1.181 30.928 29.762 -0.025 0.000 1.742 238 H HN 0.374 nan 8.280 nan 0.000 0.501 239 Y N 5.553 125.597 120.300 -0.425 0.000 2.784 239 Y HA 0.079 4.629 4.550 0.001 0.000 0.355 239 Y C 0.696 176.465 175.900 -0.218 0.000 1.198 239 Y CA -0.375 57.527 58.100 -0.331 0.000 1.588 239 Y CB -0.656 37.562 38.460 -0.404 0.000 1.220 239 Y HN 0.331 nan 8.280 nan 0.000 0.517 240 L N 3.823 125.049 121.223 0.005 0.000 2.290 240 L HA 0.205 4.545 4.340 0.001 0.000 0.284 240 L C 0.646 177.504 176.870 -0.021 0.000 1.078 240 L CA -0.103 54.644 54.840 -0.155 0.000 0.815 240 L CB 0.496 42.057 42.059 -0.830 0.000 1.162 240 L HN 0.601 nan 8.230 nan 0.000 0.435 241 N N 1.858 120.641 118.700 0.138 0.000 2.420 241 N HA 0.176 4.916 4.740 0.001 0.000 0.262 241 N C 0.598 176.247 175.510 0.231 0.000 1.144 241 N CA -0.082 53.075 53.050 0.178 0.000 0.952 241 N CB 1.058 39.635 38.487 0.149 0.000 1.081 241 N HN 0.781 nan 8.380 nan 0.000 0.480 242 A N 2.676 125.585 122.820 0.148 0.000 2.238 242 A HA 0.066 4.387 4.320 0.001 0.000 0.210 242 A C 0.677 178.276 177.584 0.025 0.000 1.179 242 A CA 0.007 52.075 52.037 0.050 0.000 0.827 242 A CB 0.039 19.042 19.000 0.006 0.000 0.856 242 A HN 0.591 nan 8.150 nan 0.000 0.488 243 T N 1.855 116.478 114.554 0.115 0.000 2.866 243 T HA 0.427 4.777 4.350 0.001 0.000 0.293 243 T C 0.196 174.886 174.700 -0.017 0.000 1.005 243 T CA 0.933 63.092 62.100 0.097 0.000 1.162 243 T CB 0.500 69.363 68.868 -0.009 0.000 0.968 243 T HN 0.744 nan 8.240 nan 0.000 0.530 244 A N 2.514 125.319 122.820 -0.024 0.000 2.588 244 A HA 0.805 5.126 4.320 0.001 0.000 0.290 244 A C 1.263 178.816 177.584 -0.052 0.000 1.136 244 A CA -0.316 51.674 52.037 -0.079 0.000 0.681 244 A CB 0.661 19.567 19.000 -0.157 0.000 1.282 244 A HN 0.748 nan 8.150 nan 0.000 0.421 245 G N -0.710 108.055 108.800 -0.058 0.000 2.448 245 G HA2 0.341 4.301 3.960 0.001 0.000 0.218 245 G HA3 0.341 4.301 3.960 0.001 0.000 0.218 245 G C 0.676 175.553 174.900 -0.038 0.000 1.135 245 G CA 1.770 46.845 45.100 -0.042 0.000 0.784 245 G HN 1.595 nan 8.290 nan 0.000 0.543 246 T N -4.065 110.458 114.554 -0.051 0.000 2.906 246 T HA 0.313 4.663 4.350 0.001 0.000 0.295 246 T C 0.918 175.578 174.700 -0.066 0.000 1.075 246 T CA -0.285 61.786 62.100 -0.049 0.000 1.005 246 T CB 1.434 70.274 68.868 -0.047 0.000 1.136 246 T HN -0.062 nan 8.240 nan 0.000 0.498 247 C N 0.690 119.954 119.300 -0.060 0.000 2.425 247 C HA -0.012 4.449 4.460 0.001 0.000 0.277 247 C C 2.608 177.533 174.990 -0.107 0.000 1.280 247 C CA 0.752 59.721 59.018 -0.081 0.000 1.744 247 C CB -1.363 26.339 27.740 -0.062 0.000 1.989 247 C HN 1.010 nan 8.230 nan 0.000 0.491 248 E N 1.039 121.187 120.200 -0.088 0.000 2.085 248 E HA -0.160 4.190 4.350 0.001 0.000 0.194 248 E C 2.218 178.741 176.600 -0.128 0.000 0.994 248 E CA 1.079 57.424 56.400 -0.092 0.000 0.801 248 E CB -0.281 29.383 29.700 -0.060 0.000 0.743 248 E HN 0.538 nan 8.360 nan 0.000 0.453 249 E N 0.043 120.160 120.200 -0.138 0.000 2.072 249 E HA -0.127 4.223 4.350 0.001 0.000 0.190 249 E C 2.021 178.437 176.600 -0.308 0.000 0.982 249 E CA 0.667 56.944 56.400 -0.204 0.000 0.803 249 E CB -0.277 29.319 29.700 -0.172 0.000 0.755 249 E HN 0.317 nan 8.360 nan 0.000 0.453 250 M N -0.129 119.328 119.600 -0.239 0.000 2.082 250 M HA -0.216 4.264 4.480 0.001 0.000 0.258 250 M C 1.943 178.062 176.300 -0.301 0.000 1.069 250 M CA 1.460 56.611 55.300 -0.249 0.000 1.102 250 M CB -0.010 32.480 32.600 -0.182 0.000 1.336 250 M HN 0.034 nan 8.290 nan 0.000 0.404 251 M N 0.124 119.552 119.600 -0.287 0.000 2.117 251 M HA -0.176 4.304 4.480 0.001 0.000 0.262 251 M C 1.957 178.059 176.300 -0.330 0.000 1.065 251 M CA 1.757 56.844 55.300 -0.356 0.000 1.114 251 M CB -1.217 31.209 32.600 -0.290 0.000 1.361 251 M HN 0.265 nan 8.290 nan 0.000 0.408 252 K N -0.268 119.972 120.400 -0.268 0.000 2.103 252 K HA -0.141 4.179 4.320 0.001 0.000 0.207 252 K C 2.142 178.574 176.600 -0.280 0.000 1.048 252 K CA 1.296 57.467 56.287 -0.194 0.000 0.930 252 K CB -0.044 32.383 32.500 -0.122 0.000 0.716 252 K HN 0.294 nan 8.250 nan 0.000 0.444 253 R N -0.041 120.101 120.500 -0.596 0.000 2.075 253 R HA -0.048 4.292 4.340 0.001 0.000 0.232 253 R C 2.360 178.636 176.300 -0.040 0.000 1.126 253 R CA 1.168 56.858 56.100 -0.684 0.000 0.963 253 R CB -0.287 29.478 30.300 -0.891 0.000 0.858 253 R HN 0.163 nan 8.270 nan 0.000 0.435 254 A N 1.178 123.917 122.820 -0.135 0.000 1.877 254 A HA -0.050 4.270 4.320 0.001 0.000 0.216 254 A C 1.399 179.007 177.584 0.038 0.000 1.186 254 A CA 0.858 52.854 52.037 -0.069 0.000 0.620 254 A CB -0.548 18.247 19.000 -0.342 0.000 0.822 254 A HN 0.057 nan 8.150 nan 0.000 0.443 258 K N 0.717 121.250 120.400 0.222 0.000 2.044 258 K HA -0.214 4.107 4.320 0.001 0.000 0.210 258 K C 1.449 178.146 176.600 0.161 0.000 1.049 258 K CA 2.145 58.547 56.287 0.192 0.000 0.927 258 K CB -0.183 32.459 32.500 0.237 0.000 0.713 258 K HN 0.613 nan 8.250 nan 0.000 0.443 259 E N 0.137 120.438 120.200 0.168 0.000 2.347 259 E HA -0.070 4.280 4.350 0.001 0.000 0.196 259 E C 1.725 178.409 176.600 0.140 0.000 1.008 259 E CA 0.433 56.916 56.400 0.137 0.000 0.852 259 E CB 0.129 29.905 29.700 0.126 0.000 0.783 259 E HN 0.333 nan 8.360 nan 0.000 0.505 260 L N -0.787 120.540 121.223 0.174 0.000 2.558 260 L HA 0.152 4.493 4.340 0.001 0.000 0.225 260 L C 1.458 178.475 176.870 0.245 0.000 1.128 260 L CA 0.345 55.305 54.840 0.199 0.000 0.868 260 L CB 0.165 42.347 42.059 0.205 0.000 1.006 260 L HN 0.255 nan 8.230 nan 0.000 0.454 261 G N 0.666 109.585 108.800 0.197 0.000 2.155 261 G HA2 -0.279 3.681 3.960 0.001 0.000 0.257 261 G HA3 -0.279 3.681 3.960 0.001 0.000 0.257 261 G C 0.458 175.494 174.900 0.227 0.000 0.983 261 G CA 0.339 45.560 45.100 0.202 0.000 0.676 261 G HN 0.270 nan 8.290 nan 0.000 0.528 262 V N -1.981 118.035 119.914 0.169 0.000 2.924 262 V HA 0.619 4.740 4.120 0.001 0.000 0.305 262 V C 0.095 176.238 176.094 0.083 0.000 1.073 262 V CA -0.699 61.647 62.300 0.077 0.000 1.098 262 V CB 1.068 32.886 31.823 -0.007 0.000 1.000 262 V HN 0.075 nan 8.190 nan 0.000 0.484 263 P HA 0.233 nan 4.420 nan 0.000 0.224 263 P C 0.143 177.476 177.300 0.055 0.000 1.157 263 P CA 0.804 63.953 63.100 0.081 0.000 0.799 263 P CB 0.502 32.279 31.700 0.127 0.000 0.809 264 I N -0.286 120.317 120.570 0.055 0.000 2.692 264 I HA 0.379 4.550 4.170 0.001 0.000 0.293 264 I C -1.113 175.003 176.117 -0.003 0.000 1.200 264 I CA -1.597 59.700 61.300 -0.004 0.000 1.036 264 I CB 2.339 40.309 38.000 -0.052 0.000 1.258 264 I HN -0.237 nan 8.210 nan 0.000 0.421 265 I N 4.652 125.201 120.570 -0.035 0.000 3.067 265 I HA 0.697 4.868 4.170 0.001 0.000 0.312 265 I C -0.861 175.241 176.117 -0.025 0.000 1.073 265 I CA -0.929 60.363 61.300 -0.014 0.000 1.016 265 I CB 2.146 40.159 38.000 0.021 0.000 1.227 265 I HN 0.738 nan 8.210 nan 0.000 0.456 266 M N 1.764 121.393 119.600 0.049 0.000 2.727 266 M HA 0.651 5.131 4.480 0.001 0.000 0.300 266 M C -1.612 174.788 176.300 0.166 0.000 1.246 266 M CA -0.532 54.830 55.300 0.103 0.000 0.835 266 M CB 2.286 35.007 32.600 0.202 0.000 1.755 266 M HN 0.826 nan 8.290 nan 0.000 0.473 267 H N -0.225 118.866 119.070 0.035 0.000 3.026 267 H HA 0.402 4.958 4.556 0.001 0.000 0.352 267 H C -2.046 173.316 175.328 0.057 0.000 1.090 267 H CA -0.523 55.537 56.048 0.020 0.000 1.268 267 H CB 1.619 31.376 29.762 -0.008 0.000 1.816 267 H HN 0.775 nan 8.280 nan 0.000 0.518 268 D N 5.333 125.478 120.400 -0.425 0.000 2.422 268 D HA -0.005 4.635 4.640 0.001 0.000 0.227 268 D C 0.821 176.805 176.300 -0.526 0.000 1.190 268 D CA -0.156 53.660 54.000 -0.306 0.000 0.905 268 D CB -0.001 40.656 40.800 -0.238 0.000 1.034 268 D HN 0.638 nan 8.370 nan 0.000 0.507 269 Y N 1.087 121.117 120.300 -0.451 0.000 2.352 269 Y HA -0.020 4.530 4.550 0.001 0.000 0.292 269 Y C 1.373 176.984 175.900 -0.481 0.000 1.136 269 Y CA 0.729 58.583 58.100 -0.410 0.000 1.227 269 Y CB -0.451 37.854 38.460 -0.259 0.000 0.991 269 Y HN 0.219 nan 8.280 nan 0.000 0.545 270 L N 0.405 121.105 121.223 -0.872 0.000 2.162 270 L HA -0.039 4.301 4.340 0.001 0.000 0.205 270 L C 2.602 179.221 176.870 -0.419 0.000 1.086 270 L CA 1.464 55.832 54.840 -0.786 0.000 0.778 270 L CB -0.723 40.908 42.059 -0.713 0.000 0.928 270 L HN 0.398 nan 8.230 nan 0.000 0.446 271 T N -3.461 110.901 114.554 -0.320 0.000 2.942 271 T HA 0.000 4.351 4.350 0.001 0.000 0.265 271 T C 1.897 176.487 174.700 -0.183 0.000 1.062 271 T CA 0.804 62.778 62.100 -0.210 0.000 1.139 271 T CB -0.547 68.222 68.868 -0.165 0.000 0.883 271 T HN 0.315 nan 8.240 nan 0.000 0.468 272 G N 1.418 110.074 108.800 -0.241 0.000 2.395 272 G HA2 0.433 4.393 3.960 0.001 0.000 0.214 272 G HA3 0.433 4.393 3.960 0.001 0.000 0.214 272 G C 0.840 175.713 174.900 -0.047 0.000 1.177 272 G CA 0.231 45.261 45.100 -0.116 0.000 0.794 272 G HN 1.227 nan 8.290 nan 0.000 0.532 273 G N -1.976 106.746 108.800 -0.131 0.000 2.576 273 G HA2 0.002 3.962 3.960 0.001 0.000 0.686 273 G HA3 0.002 3.962 3.960 0.001 0.000 0.686 273 G C 0.101 174.967 174.900 -0.057 0.000 1.242 273 G CA -0.199 44.821 45.100 -0.134 0.000 0.819 273 G HN 0.076 nan 8.290 nan 0.000 0.655 274 F N 0.650 120.602 119.950 0.004 0.000 2.171 274 F HA -0.017 4.510 4.527 0.001 0.000 0.300 274 F C 3.086 178.907 175.800 0.035 0.000 1.090 274 F CA 2.322 60.334 58.000 0.020 0.000 1.293 274 F CB -0.461 38.494 39.000 -0.074 0.000 1.013 274 F HN 0.553 nan 8.300 nan 0.000 0.486 275 T N -0.247 114.426 114.554 0.198 0.000 2.737 275 T HA -0.167 4.184 4.350 0.001 0.000 0.265 275 T C 2.336 177.078 174.700 0.070 0.000 1.038 275 T CA 1.344 63.513 62.100 0.115 0.000 1.144 275 T CB -0.704 68.213 68.868 0.081 0.000 0.866 275 T HN 0.276 nan 8.240 nan 0.000 0.434 276 A N 2.211 125.066 122.820 0.058 0.000 1.877 276 A HA -0.181 4.139 4.320 0.001 0.000 0.216 276 A C 2.281 179.823 177.584 -0.069 0.000 1.186 276 A CA 1.743 53.779 52.037 -0.001 0.000 0.620 276 A CB -0.882 18.139 19.000 0.036 0.000 0.822 276 A HN 0.527 nan 8.150 nan 0.000 0.443 277 N N -0.540 118.186 118.700 0.043 0.000 2.069 277 N HA -0.154 4.586 4.740 0.001 0.000 0.191 277 N C 1.702 177.215 175.510 0.005 0.000 1.031 277 N CA 2.165 55.225 53.050 0.016 0.000 0.852 277 N CB -0.251 38.379 38.487 0.239 0.000 1.018 277 N HN 0.461 nan 8.380 nan 0.000 0.423 278 T N 0.193 114.791 114.554 0.073 0.000 2.684 278 T HA -0.087 4.263 4.350 0.001 0.000 0.267 278 T C 2.143 176.852 174.700 0.016 0.000 1.036 278 T CA 1.412 63.550 62.100 0.063 0.000 1.148 278 T CB -0.466 68.461 68.868 0.098 0.000 0.863 278 T HN 0.201 nan 8.240 nan 0.000 0.436 279 S N 1.126 116.826 115.700 -0.000 0.000 2.365 279 S HA -0.099 4.371 4.470 0.001 0.000 0.225 279 S C 1.929 176.521 174.600 -0.013 0.000 1.039 279 S CA 1.015 59.208 58.200 -0.011 0.000 1.033 279 S CB -0.513 62.667 63.200 -0.033 0.000 0.887 279 S HN 0.267 nan 8.310 nan 0.000 0.447 280 L N 1.364 122.538 121.223 -0.080 0.000 2.109 280 L HA 0.095 4.436 4.340 0.001 0.000 0.207 280 L C 2.310 179.178 176.870 -0.002 0.000 1.086 280 L CA 1.713 56.502 54.840 -0.087 0.000 0.760 280 L CB -0.948 40.947 42.059 -0.272 0.000 0.910 280 L HN 0.244 nan 8.230 nan 0.000 0.437 281 A N -0.375 122.427 122.820 -0.030 0.000 1.898 281 A HA -0.162 4.159 4.320 0.001 0.000 0.216 281 A C 2.252 179.818 177.584 -0.030 0.000 1.181 281 A CA 1.967 53.984 52.037 -0.033 0.000 0.620 281 A CB -0.807 18.170 19.000 -0.039 0.000 0.819 281 A HN 0.477 nan 8.150 nan 0.000 0.442 282 I N -2.079 118.487 120.570 -0.006 0.000 2.226 282 I HA -0.256 3.915 4.170 0.001 0.000 0.245 282 I C 2.440 178.557 176.117 0.001 0.000 1.100 282 I CA 1.654 62.947 61.300 -0.011 0.000 1.374 282 I CB -0.385 37.617 38.000 0.002 0.000 1.057 282 I HN 0.537 nan 8.210 nan 0.000 0.413 283 Y N 0.981 121.249 120.300 -0.054 0.000 2.181 283 Y HA -0.333 4.217 4.550 0.001 0.000 0.288 283 Y C 2.721 178.603 175.900 -0.030 0.000 1.146 283 Y CA 1.697 59.773 58.100 -0.040 0.000 1.164 283 Y CB -0.405 38.029 38.460 -0.043 0.000 0.982 283 Y HN 0.187 nan 8.280 nan 0.000 0.515 284 C N 0.155 119.493 119.300 0.064 0.000 2.425 284 C HA -0.136 4.325 4.460 0.001 0.000 0.277 284 C C 2.730 177.663 174.990 -0.095 0.000 1.280 284 C CA 1.347 60.373 59.018 0.013 0.000 1.744 284 C CB -1.239 26.531 27.740 0.050 0.000 1.989 284 C HN 0.574 nan 8.230 nan 0.000 0.491 285 R N 1.902 122.301 120.500 -0.169 0.000 2.083 285 R HA -0.113 4.227 4.340 0.001 0.000 0.237 285 R C 1.536 177.749 176.300 -0.145 0.000 1.137 285 R CA 2.056 58.021 56.100 -0.225 0.000 0.951 285 R CB -0.917 29.272 30.300 -0.185 0.000 0.851 285 R HN 0.432 nan 8.270 nan 0.000 0.434 286 D N -0.402 119.896 120.400 -0.170 0.000 2.312 286 D HA -0.049 4.592 4.640 0.001 0.000 0.211 286 D C 0.479 176.659 176.300 -0.201 0.000 0.964 286 D CA 0.846 54.744 54.000 -0.171 0.000 0.877 286 D CB 0.025 40.718 40.800 -0.179 0.000 0.924 286 D HN 0.369 nan 8.370 nan 0.000 0.515 287 N N -0.852 117.693 118.700 -0.259 0.000 2.159 287 N HA 0.104 4.845 4.740 0.001 0.000 0.217 287 N C 0.905 176.382 175.510 -0.054 0.000 1.223 287 N CA 0.430 53.346 53.050 -0.222 0.000 0.896 287 N CB 1.954 40.158 38.487 -0.472 0.000 1.064 287 N HN 0.068 nan 8.380 nan 0.000 0.518 288 G N 1.737 110.561 108.800 0.040 0.000 2.176 288 G HA2 -0.260 3.700 3.960 0.001 0.000 0.252 288 G HA3 -0.260 3.700 3.960 0.001 0.000 0.252 288 G C -0.202 174.768 174.900 0.118 0.000 1.024 288 G CA 0.013 45.204 45.100 0.152 0.000 0.755 288 G HN 0.222 nan 8.290 nan 0.000 0.507 289 L N 0.058 121.387 121.223 0.178 0.000 2.312 289 L HA 0.540 4.880 4.340 0.001 0.000 0.281 289 L C 1.218 178.201 176.870 0.188 0.000 1.070 289 L CA -1.001 53.917 54.840 0.131 0.000 0.805 289 L CB 1.172 43.307 42.059 0.127 0.000 1.174 289 L HN 0.086 nan 8.230 nan 0.000 0.434 290 L N 3.731 124.972 121.223 0.030 0.000 2.439 290 L HA 0.184 4.524 4.340 0.001 0.000 0.269 290 L C -0.355 176.468 176.870 -0.079 0.000 1.179 290 L CA -0.179 54.660 54.840 -0.002 0.000 0.828 290 L CB 0.851 42.823 42.059 -0.144 0.000 1.106 290 L HN 0.404 nan 8.230 nan 0.000 0.467 291 L N 2.893 124.038 121.223 -0.130 0.000 2.345 291 L HA 0.331 4.672 4.340 0.001 0.000 0.274 291 L C -0.506 176.182 176.870 -0.302 0.000 0.999 291 L CA -0.247 54.495 54.840 -0.163 0.000 0.849 291 L CB 0.994 43.003 42.059 -0.083 0.000 1.220 291 L HN 0.448 nan 8.230 nan 0.000 0.422 292 H N 5.313 124.079 119.070 -0.508 0.000 2.620 292 H HA 0.511 5.067 4.556 0.001 0.000 0.313 292 H C -0.762 174.432 175.328 -0.222 0.000 1.075 292 H CA -0.379 55.319 56.048 -0.584 0.000 1.397 292 H CB 0.693 29.775 29.762 -1.133 0.000 1.446 292 H HN 0.495 nan 8.280 nan 0.000 0.493 293 I N 5.896 126.109 120.570 -0.594 0.000 2.339 293 I HA 0.110 4.281 4.170 0.001 0.000 0.290 293 I C 0.229 176.178 176.117 -0.280 0.000 0.994 293 I CA -0.362 60.742 61.300 -0.326 0.000 1.191 293 I CB 0.774 38.567 38.000 -0.345 0.000 1.343 293 I HN 0.720 nan 8.210 nan 0.000 0.458 294 H N 7.467 126.454 119.070 -0.138 0.000 2.467 294 H HA 0.329 4.886 4.556 0.001 0.000 0.331 294 H C 0.314 175.609 175.328 -0.056 0.000 1.120 294 H CA -0.426 55.508 56.048 -0.190 0.000 1.270 294 H CB 1.457 31.134 29.762 -0.142 0.000 1.466 294 H HN 0.577 nan 8.280 nan 0.000 0.504 295 R N 2.967 123.296 120.500 -0.285 0.000 2.586 295 R HA 0.436 4.776 4.340 0.001 0.000 0.306 295 R C 0.113 176.431 176.300 0.030 0.000 1.079 295 R CA -0.502 55.602 56.100 0.006 0.000 1.083 295 R CB 0.045 30.309 30.300 -0.061 0.000 1.306 295 R HN 0.366 nan 8.270 nan 0.000 0.567 296 A N 1.518 124.468 122.820 0.216 0.000 2.603 296 A HA 0.028 4.348 4.320 0.001 0.000 0.235 296 A C 0.990 178.582 177.584 0.014 0.000 1.035 296 A CA 0.963 53.104 52.037 0.173 0.000 0.755 296 A CB -0.157 18.903 19.000 0.100 0.000 0.954 296 A HN 0.860 nan 8.150 nan 0.000 0.511 297 M N 0.225 119.825 119.600 -0.000 0.000 2.995 297 M HA -0.307 4.173 4.480 0.001 0.000 0.207 297 M C 1.091 177.342 176.300 -0.081 0.000 0.593 297 M CA 1.895 57.154 55.300 -0.068 0.000 0.791 297 M CB -2.024 30.516 32.600 -0.100 0.000 2.827 297 M HN 1.286 nan 8.290 nan 0.000 0.293 298 H N -0.734 118.274 119.070 -0.103 0.000 2.353 298 H HA 0.147 4.704 4.556 0.001 0.000 0.298 298 H C 1.705 177.001 175.328 -0.055 0.000 1.103 298 H CA 2.143 58.155 56.048 -0.060 0.000 1.293 298 H CB -0.558 29.192 29.762 -0.020 0.000 1.372 298 H HN 0.495 nan 8.280 nan 0.000 0.501 299 A N 1.071 123.347 122.820 -0.906 0.000 2.168 299 A HA 0.019 4.339 4.320 0.001 0.000 0.215 299 A C 2.458 179.880 177.584 -0.271 0.000 1.152 299 A CA 0.991 52.639 52.037 -0.648 0.000 0.716 299 A CB -0.644 17.970 19.000 -0.644 0.000 0.794 299 A HN 0.371 nan 8.150 nan 0.000 0.465 300 V N -0.241 119.558 119.914 -0.193 0.000 2.515 300 V HA -0.224 3.896 4.120 0.001 0.000 0.250 300 V C 2.213 178.274 176.094 -0.054 0.000 1.058 300 V CA 2.059 64.300 62.300 -0.098 0.000 1.064 300 V CB -0.482 31.295 31.823 -0.077 0.000 0.675 300 V HN 0.621 nan 8.190 nan 0.000 0.461 301 I N 0.626 121.163 120.570 -0.054 0.000 2.731 301 I HA -0.019 4.151 4.170 0.001 0.000 0.260 301 I C 1.687 177.808 176.117 0.006 0.000 1.138 301 I CA 1.139 62.434 61.300 -0.010 0.000 1.461 301 I CB -0.078 37.928 38.000 0.011 0.000 1.128 301 I HN 0.461 nan 8.210 nan 0.000 0.438 302 D N -0.503 119.884 120.400 -0.023 0.000 2.469 302 D HA -0.024 4.616 4.640 0.001 0.000 0.213 302 D C 1.814 178.089 176.300 -0.042 0.000 1.135 302 D CA -0.060 53.935 54.000 -0.009 0.000 0.834 302 D CB 0.049 40.879 40.800 0.049 0.000 1.009 302 D HN -0.067 nan 8.370 nan 0.000 0.507 303 R N 0.299 120.767 120.500 -0.053 0.000 2.062 303 R HA 0.064 4.404 4.340 0.001 0.000 0.226 303 R C 0.475 176.785 176.300 0.015 0.000 1.125 303 R CA 1.093 57.167 56.100 -0.043 0.000 0.966 303 R CB -0.177 30.080 30.300 -0.073 0.000 0.861 303 R HN 0.036 nan 8.270 nan 0.000 0.433 304 Q N 0.671 120.497 119.800 0.042 0.000 2.288 304 Q HA 0.055 4.395 4.340 0.001 0.000 0.254 304 Q C 0.384 176.447 176.000 0.105 0.000 0.932 304 Q CA 0.136 55.983 55.803 0.073 0.000 0.902 304 Q CB 1.264 30.054 28.738 0.087 0.000 1.203 304 Q HN 0.252 nan 8.270 nan 0.000 0.415 305 R N 2.317 122.878 120.500 0.103 0.000 2.115 305 R HA -0.140 4.201 4.340 0.001 0.000 0.230 305 R C 1.263 177.633 176.300 0.116 0.000 1.111 305 R CA 1.601 57.772 56.100 0.117 0.000 0.976 305 R CB 0.292 30.651 30.300 0.098 0.000 0.870 305 R HN 0.647 nan 8.270 nan 0.000 0.445 306 N N -1.157 117.615 118.700 0.120 0.000 2.392 306 N HA -0.096 4.644 4.740 0.001 0.000 0.177 306 N C -0.390 175.238 175.510 0.196 0.000 1.066 306 N CA 0.644 53.771 53.050 0.129 0.000 0.895 306 N CB 0.111 38.661 38.487 0.105 0.000 0.988 306 N HN 0.256 nan 8.380 nan 0.000 0.457 307 H N -1.485 117.649 119.070 0.108 0.000 3.029 307 H HA 0.573 5.129 4.556 0.001 0.000 0.358 307 H C 0.064 175.495 175.328 0.173 0.000 1.129 307 H CA 0.372 56.514 56.048 0.157 0.000 1.230 307 H CB 1.425 31.268 29.762 0.134 0.000 1.827 307 H HN 0.341 nan 8.280 nan 0.000 0.530 308 G N 2.401 111.137 108.800 -0.107 0.000 2.255 308 G HA2 -0.016 3.944 3.960 0.001 0.000 0.216 308 G HA3 -0.016 3.944 3.960 0.001 0.000 0.216 308 G C -1.546 173.376 174.900 0.036 0.000 1.307 308 G CA -0.335 44.755 45.100 -0.016 0.000 1.162 308 G HN 0.642 nan 8.290 nan 0.000 0.494 309 I N 0.993 121.570 120.570 0.012 0.000 2.499 309 I HA 0.344 4.514 4.170 0.001 0.000 0.288 309 I C 0.254 176.432 176.117 0.101 0.000 1.048 309 I CA -0.894 60.426 61.300 0.034 0.000 1.062 309 I CB 1.975 39.953 38.000 -0.037 0.000 1.238 309 I HN 0.671 nan 8.210 nan 0.000 0.426 310 H N 4.811 123.911 119.070 0.049 0.000 2.790 310 H HA -0.000 4.556 4.556 0.001 0.000 0.358 310 H C 0.520 175.926 175.328 0.130 0.000 1.103 310 H CA 0.607 56.721 56.048 0.110 0.000 1.426 310 H CB 1.029 30.856 29.762 0.107 0.000 1.424 310 H HN 0.658 nan 8.280 nan 0.000 0.599 311 F N 5.234 125.021 119.950 -0.271 0.000 2.154 311 F HA -0.253 4.274 4.527 0.001 0.000 0.301 311 F C 2.648 178.405 175.800 -0.071 0.000 1.087 311 F CA 1.958 59.846 58.000 -0.188 0.000 1.274 311 F CB -0.148 38.590 39.000 -0.436 0.000 1.009 311 F HN 0.700 nan 8.300 nan 0.000 0.485 312 R N -0.259 120.309 120.500 0.113 0.000 2.139 312 R HA -0.144 4.197 4.340 0.001 0.000 0.243 312 R C 1.776 178.055 176.300 -0.036 0.000 1.145 312 R CA 2.017 58.139 56.100 0.038 0.000 0.976 312 R CB -1.438 29.065 30.300 0.338 0.000 0.866 312 R HN 0.313 nan 8.270 nan 0.000 0.449 313 V N 1.715 121.645 119.914 0.027 0.000 2.407 313 V HA -0.123 3.998 4.120 0.001 0.000 0.245 313 V C 2.427 178.573 176.094 0.088 0.000 1.041 313 V CA 1.339 63.665 62.300 0.044 0.000 1.040 313 V CB -0.331 31.501 31.823 0.015 0.000 0.671 313 V HN 0.273 nan 8.190 nan 0.000 0.455 314 L N 0.208 121.450 121.223 0.032 0.000 2.191 314 L HA -0.118 4.222 4.340 0.001 0.000 0.212 314 L C 2.622 179.446 176.870 -0.077 0.000 1.103 314 L CA 1.389 56.310 54.840 0.134 0.000 0.769 314 L CB -0.730 41.424 42.059 0.159 0.000 0.908 314 L HN 0.364 nan 8.230 nan 0.000 0.438 315 A N -0.023 122.489 122.820 -0.514 0.000 1.898 315 A HA -0.124 4.196 4.320 0.001 0.000 0.214 315 A C 2.352 179.832 177.584 -0.174 0.000 1.183 315 A CA 1.016 52.741 52.037 -0.521 0.000 0.622 315 A CB -0.174 18.359 19.000 -0.777 0.000 0.824 315 A HN 0.235 nan 8.150 nan 0.000 0.444 316 K N -0.090 120.301 120.400 -0.016 0.000 2.026 316 K HA -0.102 4.218 4.320 0.001 0.000 0.208 316 K C 2.346 179.004 176.600 0.098 0.000 1.048 316 K CA 1.172 57.574 56.287 0.193 0.000 0.929 316 K CB -0.385 32.256 32.500 0.235 0.000 0.713 316 K HN 0.412 nan 8.250 nan 0.000 0.439 317 A N 2.086 124.949 122.820 0.072 0.000 1.917 317 A HA -0.202 4.119 4.320 0.001 0.000 0.219 317 A C 2.077 179.663 177.584 0.004 0.000 1.182 317 A CA 1.335 53.361 52.037 -0.019 0.000 0.633 317 A CB -0.678 18.309 19.000 -0.021 0.000 0.819 317 A HN 0.279 nan 8.150 nan 0.000 0.448 318 L N -0.581 120.663 121.223 0.036 0.000 2.056 318 L HA -0.125 4.215 4.340 0.001 0.000 0.207 318 L C 2.509 179.258 176.870 -0.202 0.000 1.078 318 L CA 2.301 57.047 54.840 -0.157 0.000 0.749 318 L CB -0.837 40.884 42.059 -0.564 0.000 0.901 318 L HN 0.554 nan 8.230 nan 0.000 0.433 319 R N -0.533 119.833 120.500 -0.224 0.000 2.091 319 R HA -0.196 4.144 4.340 0.001 0.000 0.238 319 R C 2.325 178.478 176.300 -0.246 0.000 1.136 319 R CA 1.859 57.773 56.100 -0.310 0.000 0.959 319 R CB -0.116 29.848 30.300 -0.561 0.000 0.856 319 R HN 0.353 nan 8.270 nan 0.000 0.437 320 M N -0.891 118.579 119.600 -0.218 0.000 2.099 320 M HA -0.129 4.351 4.480 0.001 0.000 0.262 320 M C 2.510 178.721 176.300 -0.147 0.000 1.067 320 M CA 1.815 56.899 55.300 -0.359 0.000 1.124 320 M CB -0.225 31.872 32.600 -0.838 0.000 1.353 320 M HN 0.144 nan 8.290 nan 0.000 0.410 321 S N -0.288 115.373 115.700 -0.066 0.000 2.382 321 S HA 0.074 4.545 4.470 0.001 0.000 0.228 321 S C 0.840 175.469 174.600 0.049 0.000 1.027 321 S CA 1.197 59.453 58.200 0.092 0.000 0.991 321 S CB -0.350 62.989 63.200 0.232 0.000 0.823 321 S HN 0.664 nan 8.310 nan 0.000 0.469 322 G N -1.521 107.255 108.800 -0.040 0.000 3.088 322 G HA2 0.425 4.385 3.960 0.001 0.000 0.620 322 G HA3 0.425 4.385 3.960 0.001 0.000 0.620 322 G C -0.309 174.518 174.900 -0.122 0.000 1.375 322 G CA -0.455 44.600 45.100 -0.075 0.000 1.016 322 G HN 1.088 nan 8.290 nan 0.000 0.590 323 G N 0.777 109.486 108.800 -0.151 0.000 2.658 323 G HA2 0.574 4.534 3.960 0.001 0.000 0.301 323 G HA3 0.574 4.534 3.960 0.001 0.000 0.301 323 G C -0.128 174.688 174.900 -0.140 0.000 1.481 323 G CA 0.167 45.165 45.100 -0.170 0.000 0.931 323 G HN 0.339 nan 8.290 nan 0.000 0.573 324 D N -0.021 120.311 120.400 -0.112 0.000 2.271 324 D HA 0.065 4.706 4.640 0.001 0.000 0.206 324 D C 0.361 176.735 176.300 0.123 0.000 0.967 324 D CA 1.081 55.068 54.000 -0.022 0.000 0.867 324 D CB 0.330 41.114 40.800 -0.026 0.000 0.960 324 D HN 0.579 nan 8.370 nan 0.000 0.509 325 H N -0.641 118.287 119.070 -0.236 0.000 2.637 325 H HA 0.509 5.065 4.556 0.001 0.000 0.363 325 H C -1.133 173.976 175.328 -0.365 0.000 1.131 325 H CA -1.010 54.866 56.048 -0.286 0.000 1.183 325 H CB 2.684 32.246 29.762 -0.334 0.000 1.637 325 H HN -0.115 nan 8.280 nan 0.000 0.531 326 L N 2.351 123.475 121.223 -0.164 0.000 2.431 326 L HA 0.245 4.586 4.340 0.001 0.000 0.266 326 L C -0.723 176.104 176.870 -0.073 0.000 0.978 326 L CA -0.445 54.300 54.840 -0.157 0.000 0.822 326 L CB 1.625 43.601 42.059 -0.139 0.000 1.310 326 L HN 0.699 nan 8.230 nan 0.000 0.409 327 H N 2.486 121.431 119.070 -0.207 0.000 2.928 327 H HA 0.160 4.716 4.556 0.001 0.000 0.338 327 H C 0.306 175.550 175.328 -0.139 0.000 1.047 327 H CA 0.871 56.797 56.048 -0.202 0.000 1.435 327 H CB 1.078 30.641 29.762 -0.332 0.000 1.428 327 H HN 0.787 nan 8.280 nan 0.000 0.590 328 S N 1.822 117.517 115.700 -0.009 0.000 2.578 328 S HA 0.291 4.762 4.470 0.001 0.000 0.228 328 S C 0.990 175.704 174.600 0.191 0.000 1.022 328 S CA 0.113 58.445 58.200 0.220 0.000 0.967 328 S CB 1.078 64.516 63.200 0.398 0.000 0.914 328 S HN 1.071 nan 8.310 nan 0.000 0.515 329 G N 1.188 109.987 108.800 -0.002 0.000 2.712 329 G HA2 -0.084 3.876 3.960 0.001 0.000 0.683 329 G HA3 -0.084 3.876 3.960 0.001 0.000 0.683 329 G C 0.261 175.218 174.900 0.095 0.000 1.320 329 G CA 0.172 45.288 45.100 0.026 0.000 0.847 329 G HN 0.999 nan 8.290 nan 0.000 0.553 330 T N -3.219 111.368 114.554 0.055 0.000 2.959 330 T HA 0.442 4.793 4.350 0.001 0.000 0.254 330 T C 1.879 176.637 174.700 0.098 0.000 1.003 330 T CA 1.334 63.477 62.100 0.071 0.000 0.950 330 T CB 0.398 69.203 68.868 -0.104 0.000 1.090 330 T HN 2.296 nan 8.240 nan 0.000 0.503 331 V N 0.949 120.899 119.914 0.060 0.000 0.456 331 V HA -0.345 3.776 4.120 0.001 0.000 0.092 331 V C 2.138 178.239 176.094 0.013 0.000 2.503 331 V CA 2.068 64.386 62.300 0.030 0.000 3.694 331 V CB -2.076 29.748 31.823 0.002 0.000 0.970 331 V HN 0.702 nan 8.190 nan 0.000 1.019 332 V N -1.314 118.581 119.914 -0.032 0.000 3.590 332 V HA 0.634 4.754 4.120 0.001 0.000 0.265 332 V C 1.375 177.380 176.094 -0.149 0.000 1.239 332 V CA 1.306 63.566 62.300 -0.066 0.000 1.117 332 V CB -0.133 31.633 31.823 -0.095 0.000 0.818 332 V HN 0.908 nan 8.190 nan 0.000 0.451 333 G N 1.342 110.006 108.800 -0.227 0.000 2.494 333 G HA2 0.242 4.202 3.960 0.001 0.000 0.270 333 G HA3 0.242 4.202 3.960 0.001 0.000 0.270 333 G C 0.794 175.409 174.900 -0.475 0.000 1.423 333 G CA 0.071 44.965 45.100 -0.344 0.000 1.055 333 G HN 0.511 nan 8.290 nan 0.000 0.536 334 K N -1.243 118.637 120.400 -0.867 0.000 2.362 334 K HA 0.084 4.404 4.320 0.001 0.000 0.200 334 K C 0.216 176.613 176.600 -0.337 0.000 1.046 334 K CA 0.570 56.308 56.287 -0.914 0.000 0.952 334 K CB -0.281 31.692 32.500 -0.879 0.000 0.753 334 K HN 0.183 nan 8.250 nan 0.000 0.466 335 L N 1.734 122.821 121.223 -0.226 0.000 2.334 335 L HA 0.304 4.644 4.340 0.001 0.000 0.273 335 L C -0.163 176.672 176.870 -0.059 0.000 1.013 335 L CA -1.028 53.739 54.840 -0.121 0.000 0.816 335 L CB 1.846 43.850 42.059 -0.093 0.000 1.278 335 L HN 0.082 nan 8.230 nan 0.000 0.431 336 E N 0.990 121.170 120.200 -0.034 0.000 2.414 336 E HA 0.428 4.779 4.350 0.001 0.000 0.263 336 E C -0.288 176.336 176.600 0.039 0.000 1.000 336 E CA 0.089 56.496 56.400 0.011 0.000 0.914 336 E CB 0.668 30.372 29.700 0.006 0.000 0.948 336 E HN 0.747 nan 8.360 nan 0.000 0.444 337 G N 4.255 113.095 108.800 0.066 0.000 2.078 337 G HA2 0.003 3.963 3.960 0.001 0.000 0.297 337 G HA3 0.003 3.963 3.960 0.001 0.000 0.297 337 G C -1.128 173.822 174.900 0.083 0.000 1.370 337 G CA -0.719 44.443 45.100 0.103 0.000 1.222 337 G HN 0.478 nan 8.290 nan 0.000 0.586 338 E N 2.272 122.531 120.200 0.097 0.000 2.373 338 E HA 0.136 4.486 4.350 0.001 0.000 0.267 338 E C 1.389 177.995 176.600 0.009 0.000 1.032 338 E CA -0.549 55.889 56.400 0.063 0.000 0.889 338 E CB 1.096 30.846 29.700 0.083 0.000 0.984 338 E HN 0.585 nan 8.360 nan 0.000 0.425 339 R N 3.253 123.742 120.500 -0.019 0.000 2.097 339 R HA -0.185 4.155 4.340 0.001 0.000 0.236 339 R C 1.484 177.717 176.300 -0.113 0.000 1.135 339 R CA 1.709 57.763 56.100 -0.076 0.000 0.934 339 R CB 0.030 30.294 30.300 -0.060 0.000 0.846 339 R HN 0.512 nan 8.270 nan 0.000 0.431 340 E N 0.144 120.301 120.200 -0.071 0.000 2.051 340 E HA -0.138 4.213 4.350 0.001 0.000 0.192 340 E C 2.146 178.688 176.600 -0.096 0.000 0.991 340 E CA 1.084 57.437 56.400 -0.079 0.000 0.799 340 E CB -0.447 29.226 29.700 -0.045 0.000 0.748 340 E HN 0.203 nan 8.360 nan 0.000 0.449 341 V N 1.525 121.411 119.914 -0.047 0.000 2.332 341 V HA -0.265 3.855 4.120 0.001 0.000 0.248 341 V C 2.349 178.277 176.094 -0.278 0.000 1.055 341 V CA 2.243 64.540 62.300 -0.004 0.000 1.038 341 V CB -0.792 31.151 31.823 0.201 0.000 0.651 341 V HN 0.314 nan 8.190 nan 0.000 0.450 342 T N 0.244 114.539 114.554 -0.433 0.000 2.708 342 T HA -0.143 4.207 4.350 0.001 0.000 0.266 342 T C 1.877 176.103 174.700 -0.791 0.000 1.037 342 T CA 1.510 63.021 62.100 -0.981 0.000 1.146 342 T CB -0.328 68.288 68.868 -0.420 0.000 0.865 342 T HN 0.308 nan 8.240 nan 0.000 0.435 343 L N 0.705 121.673 121.223 -0.425 0.000 2.127 343 L HA -0.075 4.265 4.340 0.001 0.000 0.211 343 L C 2.885 179.630 176.870 -0.208 0.000 1.089 343 L CA 1.265 55.930 54.840 -0.292 0.000 0.757 343 L CB -0.891 41.044 42.059 -0.208 0.000 0.899 343 L HN 0.379 nan 8.230 nan 0.000 0.434 344 G N 0.700 109.376 108.800 -0.207 0.000 2.404 344 G HA2 -0.285 3.675 3.960 0.001 0.000 0.214 344 G HA3 -0.285 3.675 3.960 0.001 0.000 0.214 344 G C 1.284 176.206 174.900 0.037 0.000 1.189 344 G CA 0.784 45.845 45.100 -0.066 0.000 0.789 344 G HN 0.456 nan 8.290 nan 0.000 0.533 345 F N 0.926 120.957 119.950 0.136 0.000 2.407 345 F HA 0.190 4.717 4.527 0.001 0.000 0.299 345 F C 2.178 178.061 175.800 0.139 0.000 1.097 345 F CA 0.020 58.114 58.000 0.157 0.000 1.422 345 F CB -0.959 38.171 39.000 0.217 0.000 1.067 345 F HN -0.007 nan 8.300 nan 0.000 0.539 346 V N 1.374 121.378 119.914 0.150 0.000 2.343 346 V HA -0.271 3.850 4.120 0.001 0.000 0.247 346 V C 2.159 178.331 176.094 0.131 0.000 1.051 346 V CA 2.355 64.767 62.300 0.187 0.000 1.036 346 V CB -0.714 31.164 31.823 0.092 0.000 0.654 346 V HN 0.241 nan 8.190 nan 0.000 0.451 347 D N 0.010 120.462 120.400 0.087 0.000 2.117 347 D HA -0.124 4.516 4.640 0.001 0.000 0.197 347 D C 2.086 178.472 176.300 0.144 0.000 0.987 347 D CA 1.177 55.233 54.000 0.093 0.000 0.829 347 D CB -0.260 40.584 40.800 0.072 0.000 0.961 347 D HN 0.341 nan 8.370 nan 0.000 0.460 348 L N -0.236 121.109 121.223 0.203 0.000 2.201 348 L HA -0.092 4.249 4.340 0.001 0.000 0.212 348 L C 2.437 179.402 176.870 0.159 0.000 1.105 348 L CA 0.675 55.703 54.840 0.312 0.000 0.775 348 L CB -0.218 42.047 42.059 0.342 0.000 0.913 348 L HN 0.042 nan 8.230 nan 0.000 0.440 349 M N -1.317 118.324 119.600 0.067 0.000 2.236 349 M HA -0.107 4.373 4.480 0.001 0.000 0.266 349 M C 2.302 178.497 176.300 -0.176 0.000 1.070 349 M CA 1.605 56.850 55.300 -0.092 0.000 1.137 349 M CB -0.069 32.545 32.600 0.023 0.000 1.378 349 M HN 0.107 nan 8.290 nan 0.000 0.426 350 R N -0.480 119.983 120.500 -0.062 0.000 2.146 350 R HA 0.081 4.422 4.340 0.001 0.000 0.206 350 R C 0.001 176.272 176.300 -0.049 0.000 1.049 350 R CA 0.361 56.429 56.100 -0.053 0.000 1.029 350 R CB 0.180 30.489 30.300 0.015 0.000 0.949 350 R HN 0.263 nan 8.270 nan 0.000 0.471 351 D N 0.163 120.569 120.400 0.011 0.000 2.348 351 D HA 0.002 4.642 4.640 0.001 0.000 0.249 351 D C 0.264 176.654 176.300 0.150 0.000 1.110 351 D CA -0.055 53.998 54.000 0.088 0.000 0.967 351 D CB 1.232 42.114 40.800 0.137 0.000 1.139 351 D HN -0.081 nan 8.370 nan 0.000 0.466 352 D N -1.066 119.455 120.400 0.203 0.000 2.213 352 D HA -0.105 4.535 4.640 0.001 0.000 0.205 352 D C -0.573 175.985 176.300 0.430 0.000 0.961 352 D CA 0.717 54.894 54.000 0.294 0.000 0.853 352 D CB 0.266 41.192 40.800 0.210 0.000 0.967 352 D HN 0.309 nan 8.370 nan 0.000 0.496 353 Y N -0.113 120.307 120.300 0.200 0.000 2.361 353 Y HA 0.448 4.999 4.550 0.001 0.000 0.328 353 Y C -1.653 174.324 175.900 0.128 0.000 1.044 353 Y CA -0.977 57.208 58.100 0.142 0.000 1.085 353 Y CB 1.635 40.146 38.460 0.086 0.000 1.194 353 Y HN -0.319 nan 8.280 nan 0.000 0.438 354 V N 5.894 125.706 119.914 -0.169 0.000 2.443 354 V HA 0.332 4.452 4.120 0.001 0.000 0.293 354 V C -0.472 175.508 176.094 -0.191 0.000 1.021 354 V CA -1.049 61.211 62.300 -0.066 0.000 0.848 354 V CB 1.494 33.343 31.823 0.044 0.000 0.998 354 V HN 0.669 nan 8.190 nan 0.000 0.424 355 E N 2.926 123.085 120.200 -0.067 0.000 2.373 355 E HA 0.121 4.471 4.350 0.001 0.000 0.267 355 E C 0.089 176.669 176.600 -0.033 0.000 1.032 355 E CA -0.446 55.929 56.400 -0.043 0.000 0.889 355 E CB 1.125 30.854 29.700 0.049 0.000 0.984 355 E HN 0.561 nan 8.360 nan 0.000 0.425 356 K N 2.209 122.592 120.400 -0.027 0.000 2.543 356 K HA -0.167 4.153 4.320 0.001 0.000 0.279 356 K C -0.604 175.970 176.600 -0.043 0.000 1.001 356 K CA 0.818 57.089 56.287 -0.027 0.000 1.088 356 K CB 0.259 32.750 32.500 -0.015 0.000 0.863 356 K HN 0.330 nan 8.250 nan 0.000 0.488 357 D N 3.925 124.282 120.400 -0.073 0.000 2.351 357 D HA 0.152 4.792 4.640 0.001 0.000 0.235 357 D C 0.257 176.474 176.300 -0.138 0.000 1.331 357 D CA -0.490 53.462 54.000 -0.081 0.000 0.959 357 D CB 0.591 41.361 40.800 -0.048 0.000 1.432 357 D HN 0.475 nan 8.370 nan 0.000 0.544 358 R N 0.744 121.135 120.500 -0.182 0.000 2.152 358 R HA -0.056 4.285 4.340 0.001 0.000 0.232 358 R C 1.734 177.913 176.300 -0.202 0.000 1.117 358 R CA 1.109 57.043 56.100 -0.278 0.000 0.981 358 R CB -0.532 29.603 30.300 -0.275 0.000 0.870 358 R HN 0.477 nan 8.270 nan 0.000 0.451 359 S N -0.009 115.616 115.700 -0.125 0.000 2.561 359 S HA 0.025 4.495 4.470 0.001 0.000 0.225 359 S C 1.428 175.984 174.600 -0.074 0.000 0.977 359 S CA 0.357 58.505 58.200 -0.086 0.000 0.926 359 S CB 0.069 63.232 63.200 -0.062 0.000 0.769 359 S HN 0.240 nan 8.310 nan 0.000 0.533 360 R N -0.007 120.443 120.500 -0.083 0.000 2.543 360 R HA 0.314 4.654 4.340 0.001 0.000 0.323 360 R C 1.162 177.429 176.300 -0.055 0.000 1.002 360 R CA 0.315 56.378 56.100 -0.062 0.000 1.106 360 R CB 0.499 30.767 30.300 -0.054 0.000 1.280 360 R HN 0.496 nan 8.270 nan 0.000 0.549 361 G N 1.854 110.590 108.800 -0.106 0.000 2.148 361 G HA2 -0.272 3.689 3.960 0.001 0.000 0.254 361 G HA3 -0.272 3.689 3.960 0.001 0.000 0.254 361 G C 0.159 175.036 174.900 -0.039 0.000 0.981 361 G CA -0.116 44.923 45.100 -0.103 0.000 0.670 361 G HN 0.272 nan 8.290 nan 0.000 0.528 362 I N 0.976 121.500 120.570 -0.078 0.000 2.294 362 I HA 0.295 4.466 4.170 0.001 0.000 0.295 362 I C 1.311 177.373 176.117 -0.091 0.000 1.098 362 I CA -0.786 60.513 61.300 -0.002 0.000 1.277 362 I CB 0.310 38.313 38.000 0.006 0.000 1.434 362 I HN 0.080 nan 8.210 nan 0.000 0.498 363 Y N 5.118 125.299 120.300 -0.197 0.000 2.475 363 Y HA 0.144 4.694 4.550 0.001 0.000 0.289 363 Y C 0.298 175.852 175.900 -0.578 0.000 1.121 363 Y CA 0.596 58.436 58.100 -0.432 0.000 1.257 363 Y CB 0.020 38.068 38.460 -0.687 0.000 1.026 363 Y HN 0.306 nan 8.280 nan 0.000 0.555 364 F N -1.726 118.318 119.950 0.157 0.000 2.576 364 F HA 0.380 4.907 4.527 0.001 0.000 0.313 364 F C 0.235 176.015 175.800 -0.034 0.000 1.078 364 F CA -1.783 56.258 58.000 0.069 0.000 0.921 364 F CB 1.014 40.046 39.000 0.053 0.000 1.232 364 F HN -0.500 nan 8.300 nan 0.000 0.459 365 T N 1.788 116.418 114.554 0.127 0.000 2.870 365 T HA 0.237 4.587 4.350 0.001 0.000 0.300 365 T C -0.440 174.154 174.700 -0.177 0.000 0.989 365 T CA -0.016 62.034 62.100 -0.083 0.000 1.139 365 T CB 0.527 69.328 68.868 -0.112 0.000 0.920 365 T HN 0.406 nan 8.240 nan 0.000 0.537 366 Q N 2.882 122.491 119.800 -0.320 0.000 2.341 366 Q HA 0.319 4.660 4.340 0.001 0.000 0.268 366 Q C -1.397 174.278 176.000 -0.542 0.000 1.013 366 Q CA -0.658 54.892 55.803 -0.422 0.000 0.798 366 Q CB 1.147 29.656 28.738 -0.382 0.000 1.253 366 Q HN 0.489 nan 8.270 nan 0.000 0.457 367 D N 3.863 123.996 120.400 -0.445 0.000 2.349 367 D HA 0.260 4.900 4.640 0.001 0.000 0.232 367 D C -1.089 175.103 176.300 -0.181 0.000 1.071 367 D CA -0.195 53.708 54.000 -0.160 0.000 0.832 367 D CB 0.427 41.272 40.800 0.075 0.000 1.086 367 D HN 0.472 nan 8.370 nan 0.000 0.504 371 M N 3.822 123.492 119.600 0.117 0.000 2.252 371 M HA 0.202 4.682 4.480 0.001 0.000 0.348 371 M C -2.539 173.737 176.300 -0.041 0.000 1.334 371 M CA -0.952 54.377 55.300 0.049 0.000 1.071 371 M CB 0.295 32.952 32.600 0.094 0.000 1.763 371 M HN -0.130 nan 8.290 nan 0.000 0.452 372 P HA 0.098 nan 4.420 nan 0.000 0.268 372 P C -0.448 176.757 177.300 -0.160 0.000 1.208 372 P CA -0.108 62.948 63.100 -0.073 0.000 0.777 372 P CB 0.292 31.963 31.700 -0.049 0.000 0.875 373 G N 0.920 109.643 108.800 -0.128 0.000 2.503 373 G HA2 0.407 4.368 3.960 0.001 0.000 0.257 373 G HA3 0.407 4.368 3.960 0.001 0.000 0.257 373 G C -0.654 174.162 174.900 -0.140 0.000 1.214 373 G CA -0.386 44.611 45.100 -0.171 0.000 0.839 373 G HN 0.360 nan 8.290 nan 0.000 0.559 374 V N 2.482 122.294 119.914 -0.171 0.000 2.481 374 V HA 0.333 4.453 4.120 0.001 0.000 0.286 374 V C 0.410 176.456 176.094 -0.080 0.000 1.042 374 V CA -0.691 61.533 62.300 -0.126 0.000 0.928 374 V CB 1.585 33.302 31.823 -0.176 0.000 0.986 374 V HN 0.820 nan 8.190 nan 0.000 0.462 375 M N 9.103 128.667 119.600 -0.061 0.000 2.143 375 M HA 0.374 4.855 4.480 0.001 0.000 0.348 375 M C -2.375 173.831 176.300 -0.157 0.000 1.375 375 M CA -1.394 53.837 55.300 -0.114 0.000 1.124 375 M CB 0.918 33.399 32.600 -0.197 0.000 1.669 375 M HN 0.358 nan 8.290 nan 0.000 0.469 376 P HA 0.092 nan 4.420 nan 0.000 0.271 376 P C -1.249 175.880 177.300 -0.284 0.000 1.216 376 P CA -0.212 62.828 63.100 -0.101 0.000 0.776 376 P CB 0.667 32.400 31.700 0.055 0.000 0.881 377 V N 2.748 122.464 119.914 -0.331 0.000 2.376 377 V HA 0.463 4.583 4.120 0.001 0.000 0.287 377 V C 0.385 176.161 176.094 -0.530 0.000 1.015 377 V CA -0.840 61.182 62.300 -0.463 0.000 0.834 377 V CB 1.269 32.791 31.823 -0.503 0.000 1.001 377 V HN 0.684 nan 8.190 nan 0.000 0.428 378 A N 3.863 126.320 122.820 -0.606 0.000 2.269 378 A HA 0.797 5.118 4.320 0.001 0.000 0.302 378 A C 0.125 177.449 177.584 -0.435 0.000 1.266 378 A CA -0.127 51.580 52.037 -0.551 0.000 0.894 378 A CB 0.835 19.375 19.000 -0.767 0.000 1.147 378 A HN 0.863 nan 8.150 nan 0.000 0.537 379 S N 1.747 117.260 115.700 -0.312 0.000 2.533 379 S HA 0.744 5.214 4.470 0.001 0.000 0.271 379 S C -0.528 173.976 174.600 -0.160 0.000 1.143 379 S CA 0.378 58.435 58.200 -0.238 0.000 0.891 379 S CB 1.272 64.408 63.200 -0.107 0.000 1.105 379 S HN 2.565 nan 8.310 nan 0.000 0.468 380 G N 1.811 110.501 108.800 -0.182 0.000 3.071 380 G HA2 0.450 4.411 3.960 0.001 0.000 0.620 380 G HA3 0.450 4.411 3.960 0.001 0.000 0.620 380 G C 0.801 175.552 174.900 -0.247 0.000 1.204 380 G CA 0.264 45.265 45.100 -0.164 0.000 1.200 380 G HN 2.133 nan 8.290 nan 0.000 0.530 381 G N 0.329 109.007 108.800 -0.204 0.000 2.198 381 G HA2 -0.025 3.935 3.960 0.001 0.000 0.260 381 G HA3 -0.025 3.935 3.960 0.001 0.000 0.260 381 G C 0.588 175.462 174.900 -0.044 0.000 1.025 381 G CA 1.053 46.028 45.100 -0.209 0.000 0.769 381 G HN 2.241 nan 8.290 nan 0.000 0.507 382 I N -2.112 118.422 120.570 -0.060 0.000 2.577 382 I HA 0.954 5.125 4.170 0.001 0.000 0.305 382 I C 0.248 176.605 176.117 0.401 0.000 0.986 382 I CA -1.346 60.007 61.300 0.089 0.000 1.189 382 I CB 1.640 39.533 38.000 -0.179 0.000 1.355 382 I HN 0.349 nan 8.210 nan 0.000 0.476 383 H N 1.339 120.790 119.070 0.635 0.000 2.947 383 H HA 0.460 5.016 4.556 0.001 0.000 0.290 383 H C 0.613 176.058 175.328 0.195 0.000 1.430 383 H CA -0.435 55.751 56.048 0.230 0.000 1.189 383 H CB 0.561 30.184 29.762 -0.232 0.000 1.875 383 H HN 0.333 nan 8.280 nan 0.000 0.568 384 V N -2.917 117.122 119.914 0.207 0.000 2.453 384 V HA -0.240 3.880 4.120 0.001 0.000 0.252 384 V C 1.311 177.387 176.094 -0.031 0.000 1.068 384 V CA 1.833 64.112 62.300 -0.036 0.000 1.070 384 V CB -1.242 30.488 31.823 -0.154 0.000 0.664 384 V HN 0.771 nan 8.190 nan 0.000 0.461 385 W N -0.374 121.028 121.300 0.170 0.000 2.519 385 W HA 0.069 4.729 4.660 0.001 0.000 0.266 385 W C 2.579 179.048 176.519 -0.084 0.000 1.253 385 W CA 0.992 58.351 57.345 0.024 0.000 1.274 385 W CB -0.454 29.048 29.460 0.070 0.000 1.114 385 W HN 0.333 nan 8.180 nan 0.000 0.596 386 H N -0.733 118.430 119.070 0.156 0.000 2.547 386 H HA 0.002 4.558 4.556 0.001 0.000 0.272 386 H C 1.875 177.291 175.328 0.147 0.000 0.989 386 H CA 0.983 57.092 56.048 0.101 0.000 1.214 386 H CB -0.369 29.401 29.762 0.012 0.000 1.389 386 H HN 0.177 nan 8.280 nan 0.000 0.577 387 M N 1.434 121.181 119.600 0.245 0.000 2.080 387 M HA -0.068 4.412 4.480 0.001 0.000 0.260 387 M C -0.950 175.448 176.300 0.163 0.000 1.068 387 M CA 1.582 57.002 55.300 0.201 0.000 1.109 387 M CB -0.839 31.818 32.600 0.095 0.000 1.342 387 M HN 0.055 nan 8.290 nan 0.000 0.405 388 P HA -0.077 nan 4.420 nan 0.000 0.215 388 P C 1.167 178.540 177.300 0.121 0.000 1.157 388 P CA 2.235 65.405 63.100 0.115 0.000 0.868 388 P CB -0.354 31.414 31.700 0.114 0.000 0.788 389 A N -0.752 122.155 122.820 0.144 0.000 1.940 389 A HA -0.178 4.143 4.320 0.001 0.000 0.219 389 A C 2.226 179.889 177.584 0.131 0.000 1.176 389 A CA 1.537 53.648 52.037 0.124 0.000 0.631 389 A CB -1.706 17.381 19.000 0.145 0.000 0.814 389 A HN 0.110 nan 8.150 nan 0.000 0.446 390 L N -0.679 120.659 121.223 0.192 0.000 2.027 390 L HA -0.140 4.200 4.340 0.001 0.000 0.206 390 L C 2.483 179.524 176.870 0.285 0.000 1.074 390 L CA 1.060 56.067 54.840 0.280 0.000 0.745 390 L CB -0.516 41.695 42.059 0.252 0.000 0.898 390 L HN 0.238 nan 8.230 nan 0.000 0.433 391 V N -0.494 119.533 119.914 0.188 0.000 2.515 391 V HA -0.231 3.889 4.120 0.001 0.000 0.250 391 V C 2.528 178.686 176.094 0.107 0.000 1.058 391 V CA 1.619 64.008 62.300 0.148 0.000 1.064 391 V CB -0.503 31.384 31.823 0.106 0.000 0.675 391 V HN 0.469 nan 8.190 nan 0.000 0.461 392 E N 0.350 120.597 120.200 0.077 0.000 2.072 392 E HA -0.146 4.204 4.350 0.001 0.000 0.190 392 E C 2.184 178.767 176.600 -0.029 0.000 0.982 392 E CA 1.280 57.696 56.400 0.028 0.000 0.803 392 E CB -0.046 29.669 29.700 0.025 0.000 0.755 392 E HN 0.597 nan 8.360 nan 0.000 0.453 393 I N -0.194 120.328 120.570 -0.081 0.000 2.163 393 I HA -0.255 3.915 4.170 0.001 0.000 0.240 393 I C 2.025 177.899 176.117 -0.405 0.000 1.081 393 I CA 1.216 62.323 61.300 -0.322 0.000 1.353 393 I CB -0.208 37.455 38.000 -0.561 0.000 1.054 393 I HN 0.038 nan 8.210 nan 0.000 0.407 394 F N 0.196 120.142 119.950 -0.005 0.000 2.446 394 F HA 0.319 4.846 4.527 0.001 0.000 0.292 394 F C 1.608 177.409 175.800 0.001 0.000 1.096 394 F CA 0.649 58.644 58.000 -0.008 0.000 1.438 394 F CB -0.675 38.317 39.000 -0.014 0.000 1.107 394 F HN 0.159 nan 8.300 nan 0.000 0.546 395 G N 0.707 109.606 108.800 0.165 0.000 2.693 395 G HA2 -0.280 3.680 3.960 0.001 0.000 0.226 395 G HA3 -0.280 3.680 3.960 0.001 0.000 0.226 395 G C 0.160 175.130 174.900 0.117 0.000 1.354 395 G CA 0.061 45.228 45.100 0.111 0.000 0.873 395 G HN 0.139 nan 8.290 nan 0.000 0.562 396 D N 0.413 120.863 120.400 0.084 0.000 2.178 396 D HA 0.047 4.687 4.640 0.001 0.000 0.202 396 D C 1.018 177.356 176.300 0.064 0.000 0.974 396 D CA 1.314 55.358 54.000 0.072 0.000 0.841 396 D CB -0.125 40.715 40.800 0.067 0.000 0.953 396 D HN 0.373 nan 8.370 nan 0.000 0.478 397 D N 0.686 121.127 120.400 0.069 0.000 2.608 397 D HA 0.470 5.111 4.640 0.001 0.000 0.224 397 D C -0.379 175.939 176.300 0.029 0.000 1.123 397 D CA 0.136 54.165 54.000 0.048 0.000 1.030 397 D CB 0.056 40.887 40.800 0.053 0.000 1.093 397 D HN 0.042 nan 8.370 nan 0.000 0.497 398 A N 0.271 123.081 122.820 -0.017 0.000 2.601 398 A HA 0.527 4.847 4.320 0.001 0.000 0.291 398 A C -1.256 176.240 177.584 -0.147 0.000 1.075 398 A CA -0.780 51.187 52.037 -0.117 0.000 0.671 398 A CB 1.388 20.301 19.000 -0.144 0.000 1.277 398 A HN 0.375 nan 8.150 nan 0.000 0.417 399 C N 1.653 120.810 119.300 -0.239 0.000 2.379 399 C HA 0.801 5.262 4.460 0.001 0.000 0.323 399 C C -0.899 173.957 174.990 -0.224 0.000 1.262 399 C CA -0.589 58.334 59.018 -0.157 0.000 1.581 399 C CB -0.718 26.947 27.740 -0.125 0.000 2.221 399 C HN 0.678 nan 8.230 nan 0.000 0.497 400 L N 6.232 127.377 121.223 -0.129 0.000 2.305 400 L HA 0.529 4.870 4.340 0.001 0.000 0.284 400 L C -0.163 176.565 176.870 -0.237 0.000 1.013 400 L CA -0.135 54.574 54.840 -0.218 0.000 0.819 400 L CB 1.202 43.238 42.059 -0.038 0.000 1.227 400 L HN 0.650 nan 8.230 nan 0.000 0.417 401 Q N 3.267 122.778 119.800 -0.482 0.000 2.316 401 Q HA 0.548 4.889 4.340 0.001 0.000 0.264 401 Q C -1.521 174.127 176.000 -0.586 0.000 0.987 401 Q CA -0.459 55.139 55.803 -0.342 0.000 0.852 401 Q CB 2.513 31.141 28.738 -0.183 0.000 1.287 401 Q HN 0.423 nan 8.270 nan 0.000 0.448 402 F N 0.998 120.930 119.950 -0.031 0.000 2.532 402 F HA 0.343 4.870 4.527 0.001 0.000 0.365 402 F C 0.861 176.648 175.800 -0.022 0.000 1.112 402 F CA -0.659 57.322 58.000 -0.033 0.000 1.082 402 F CB 1.259 40.244 39.000 -0.026 0.000 1.319 402 F HN 0.742 nan 8.300 nan 0.000 0.457 403 G N 1.539 110.387 108.800 0.082 0.000 2.654 403 G HA2 0.031 3.991 3.960 0.001 0.000 0.215 403 G HA3 0.031 3.991 3.960 0.001 0.000 0.215 403 G C 1.777 176.731 174.900 0.090 0.000 1.310 403 G CA 0.630 45.770 45.100 0.067 0.000 0.866 403 G HN 0.737 nan 8.290 nan 0.000 0.558 404 G N 0.590 109.434 108.800 0.073 0.000 2.450 404 G HA2 0.071 4.031 3.960 0.001 0.000 0.220 404 G HA3 0.071 4.031 3.960 0.001 0.000 0.220 404 G C 1.651 176.594 174.900 0.072 0.000 1.130 404 G CA 1.333 46.491 45.100 0.096 0.000 0.760 404 G HN 0.705 nan 8.290 nan 0.000 0.557 405 G N -0.763 108.022 108.800 -0.024 0.000 2.679 405 G HA2 0.145 4.106 3.960 0.001 0.000 0.212 405 G HA3 0.145 4.106 3.960 0.001 0.000 0.212 405 G C 1.411 176.384 174.900 0.122 0.000 1.137 405 G CA 1.548 46.538 45.100 -0.184 0.000 0.787 405 G HN 0.414 nan 8.290 nan 0.000 0.534 406 T N 0.137 114.810 114.554 0.198 0.000 3.182 406 T HA 0.095 4.445 4.350 0.001 0.000 0.244 406 T C 1.881 176.709 174.700 0.213 0.000 0.981 406 T CA -0.143 62.073 62.100 0.192 0.000 1.182 406 T CB -0.043 68.895 68.868 0.117 0.000 1.043 406 T HN 0.043 nan 8.240 nan 0.000 0.424 407 L N 1.703 123.027 121.223 0.168 0.000 2.622 407 L HA 0.275 4.616 4.340 0.001 0.000 0.233 407 L C 2.176 179.170 176.870 0.207 0.000 1.156 407 L CA 0.780 55.708 54.840 0.145 0.000 0.866 407 L CB -0.263 41.846 42.059 0.084 0.000 0.980 407 L HN 0.378 nan 8.230 nan 0.000 0.448 408 G N -3.139 105.862 108.800 0.334 0.000 3.126 408 G HA2 -0.069 3.892 3.960 0.001 0.000 0.224 408 G HA3 -0.069 3.892 3.960 0.001 0.000 0.224 408 G C 0.551 175.664 174.900 0.355 0.000 1.142 408 G CA -0.297 45.052 45.100 0.415 0.000 0.759 408 G HN 0.276 nan 8.290 nan 0.000 0.550 409 H N 2.036 121.258 119.070 0.253 0.000 2.928 409 H HA 0.069 4.625 4.556 0.001 0.000 0.338 409 H C -1.080 174.208 175.328 -0.067 0.000 1.047 409 H CA -1.005 55.035 56.048 -0.015 0.000 1.435 409 H CB 2.000 31.779 29.762 0.027 0.000 1.428 409 H HN 0.016 nan 8.280 nan 0.000 0.590 410 P HA -0.126 nan 4.420 nan 0.000 0.222 410 P C 0.666 178.207 177.300 0.402 0.000 1.147 410 P CA 1.064 64.166 63.100 0.002 0.000 0.790 410 P CB 0.097 31.692 31.700 -0.175 0.000 0.780 411 W N 0.298 121.799 121.300 0.336 0.000 3.220 411 W HA 0.504 5.164 4.660 0.001 0.000 0.328 411 W C 1.117 177.664 176.519 0.047 0.000 1.205 411 W CA 0.368 57.804 57.345 0.151 0.000 1.773 411 W CB -0.700 28.829 29.460 0.114 0.000 1.086 411 W HN 0.052 nan 8.180 nan 0.000 0.622 412 G N 1.072 110.033 108.800 0.268 0.000 2.610 412 G HA2 -0.298 3.662 3.960 0.001 0.000 0.304 412 G HA3 -0.298 3.662 3.960 0.001 0.000 0.304 412 G C 0.662 175.584 174.900 0.036 0.000 1.309 412 G CA -0.132 45.041 45.100 0.121 0.000 0.906 412 G HN -0.010 nan 8.290 nan 0.000 0.521 413 N N 0.002 118.705 118.700 0.004 0.000 2.142 413 N HA 0.056 4.796 4.740 0.001 0.000 0.186 413 N C 2.693 178.149 175.510 -0.089 0.000 1.023 413 N CA 2.491 55.523 53.050 -0.030 0.000 0.852 413 N CB -0.640 37.823 38.487 -0.040 0.000 0.998 413 N HN 1.058 nan 8.380 nan 0.000 0.424 414 A N 1.495 124.249 122.820 -0.109 0.000 1.858 414 A HA -0.031 4.289 4.320 0.001 0.000 0.216 414 A C -0.219 177.275 177.584 -0.149 0.000 1.190 414 A CA 1.317 53.273 52.037 -0.135 0.000 0.617 414 A CB -1.528 17.390 19.000 -0.136 0.000 0.827 414 A HN 0.209 nan 8.150 nan 0.000 0.443 415 P HA -0.081 nan 4.420 nan 0.000 0.217 415 P C 1.750 178.705 177.300 -0.575 0.000 1.150 415 P CA 1.656 64.570 63.100 -0.311 0.000 0.832 415 P CB -0.396 31.160 31.700 -0.241 0.000 0.787 416 G N 0.467 108.933 108.800 -0.556 0.000 2.491 416 G HA2 -0.314 3.647 3.960 0.001 0.000 0.218 416 G HA3 -0.314 3.647 3.960 0.001 0.000 0.218 416 G C 1.695 176.528 174.900 -0.113 0.000 1.180 416 G CA 1.250 46.208 45.100 -0.237 0.000 0.774 416 G HN 0.340 nan 8.290 nan 0.000 0.562 417 A N 1.089 123.843 122.820 -0.109 0.000 1.902 417 A HA 0.271 4.592 4.320 0.001 0.000 0.217 417 A C 2.852 180.375 177.584 -0.100 0.000 1.181 417 A CA 2.370 54.355 52.037 -0.086 0.000 0.623 417 A CB -0.882 18.072 19.000 -0.078 0.000 0.818 417 A HN 0.913 nan 8.150 nan 0.000 0.443 418 A N -0.074 122.677 122.820 -0.115 0.000 1.908 418 A HA 0.103 4.423 4.320 0.001 0.000 0.218 418 A C 2.503 180.034 177.584 -0.087 0.000 1.181 418 A CA 2.250 54.233 52.037 -0.091 0.000 0.627 418 A CB -1.031 17.914 19.000 -0.091 0.000 0.818 418 A HN 1.077 nan 8.150 nan 0.000 0.445 419 A N 0.295 123.046 122.820 -0.115 0.000 1.877 419 A HA -0.242 4.079 4.320 0.001 0.000 0.216 419 A C 1.904 179.414 177.584 -0.124 0.000 1.186 419 A CA 1.902 53.883 52.037 -0.093 0.000 0.620 419 A CB -0.887 18.096 19.000 -0.029 0.000 0.822 419 A HN 0.702 nan 8.150 nan 0.000 0.443 420 N N -1.217 117.376 118.700 -0.179 0.000 2.188 420 N HA -0.157 4.583 4.740 0.001 0.000 0.184 420 N C 1.937 177.344 175.510 -0.171 0.000 1.018 420 N CA 1.321 54.184 53.050 -0.311 0.000 0.858 420 N CB -0.130 38.073 38.487 -0.474 0.000 0.989 420 N HN 0.425 nan 8.380 nan 0.000 0.426 421 R N 0.985 121.427 120.500 -0.097 0.000 2.092 421 R HA 0.023 4.363 4.340 0.001 0.000 0.231 421 R C 1.652 177.944 176.300 -0.013 0.000 1.119 421 R CA 0.942 57.017 56.100 -0.043 0.000 0.970 421 R CB -0.614 29.667 30.300 -0.032 0.000 0.864 421 R HN 0.026 nan 8.270 nan 0.000 0.440 422 V N 0.680 120.594 119.914 0.000 0.000 2.307 422 V HA -0.148 3.972 4.120 0.001 0.000 0.245 422 V C 2.328 178.436 176.094 0.023 0.000 1.045 422 V CA 1.834 64.173 62.300 0.065 0.000 1.024 422 V CB -0.892 31.015 31.823 0.141 0.000 0.651 422 V HN 0.521 nan 8.190 nan 0.000 0.449 423 A N 0.110 122.909 122.820 -0.036 0.000 1.865 423 A HA -0.254 4.067 4.320 0.001 0.000 0.217 423 A C 2.195 179.762 177.584 -0.028 0.000 1.191 423 A CA 2.370 54.371 52.037 -0.060 0.000 0.623 423 A CB -0.749 18.175 19.000 -0.126 0.000 0.826 423 A HN 0.478 nan 8.150 nan 0.000 0.444 424 L N 0.034 121.244 121.223 -0.022 0.000 1.990 424 L HA -0.211 4.129 4.340 0.001 0.000 0.213 424 L C 2.209 179.087 176.870 0.015 0.000 1.072 424 L CA 2.718 57.568 54.840 0.016 0.000 0.755 424 L CB -0.680 41.398 42.059 0.031 0.000 0.889 424 L HN 0.543 nan 8.230 nan 0.000 0.432 425 E N -0.440 119.764 120.200 0.006 0.000 2.106 425 E HA -0.167 4.183 4.350 0.001 0.000 0.192 425 E C 2.159 178.750 176.600 -0.016 0.000 0.984 425 E CA 0.938 57.339 56.400 0.001 0.000 0.806 425 E CB -0.281 29.421 29.700 0.003 0.000 0.750 425 E HN 0.696 nan 8.360 nan 0.000 0.458 426 A N 0.939 123.746 122.820 -0.021 0.000 1.877 426 A HA -0.197 4.124 4.320 0.001 0.000 0.216 426 A C 2.448 180.018 177.584 -0.024 0.000 1.186 426 A CA 1.218 53.230 52.037 -0.042 0.000 0.620 426 A CB -0.865 18.112 19.000 -0.038 0.000 0.822 426 A HN 0.345 nan 8.150 nan 0.000 0.443 427 C N -1.058 118.240 119.300 -0.004 0.000 2.429 427 C HA -0.075 4.385 4.460 0.001 0.000 0.277 427 C C 3.055 178.055 174.990 0.016 0.000 1.262 427 C CA 1.527 60.553 59.018 0.014 0.000 1.733 427 C CB -1.517 26.243 27.740 0.034 0.000 2.010 427 C HN 0.655 nan 8.230 nan 0.000 0.483 428 T N 0.232 114.796 114.554 0.017 0.000 2.708 428 T HA -0.274 4.077 4.350 0.001 0.000 0.266 428 T C 1.838 176.541 174.700 0.005 0.000 1.037 428 T CA 1.825 63.936 62.100 0.019 0.000 1.146 428 T CB -0.420 68.461 68.868 0.022 0.000 0.865 428 T HN 0.678 nan 8.240 nan 0.000 0.435 429 Q N 0.745 120.538 119.800 -0.010 0.000 2.030 429 Q HA -0.166 4.175 4.340 0.001 0.000 0.204 429 Q C 2.555 178.544 176.000 -0.019 0.000 0.986 429 Q CA 1.741 57.530 55.803 -0.023 0.000 0.843 429 Q CB -0.378 28.330 28.738 -0.049 0.000 0.904 429 Q HN 0.529 nan 8.270 nan 0.000 0.420 430 A N 1.435 124.245 122.820 -0.018 0.000 1.892 430 A HA -0.264 4.057 4.320 0.001 0.000 0.218 430 A C 2.171 179.755 177.584 -0.000 0.000 1.188 430 A CA 1.776 53.806 52.037 -0.011 0.000 0.631 430 A CB -0.873 18.124 19.000 -0.006 0.000 0.822 430 A HN 0.480 nan 8.150 nan 0.000 0.447 431 R N 0.073 120.577 120.500 0.008 0.000 2.083 431 R HA -0.177 4.163 4.340 0.001 0.000 0.237 431 R C 1.891 178.197 176.300 0.009 0.000 1.137 431 R CA 1.977 58.085 56.100 0.013 0.000 0.951 431 R CB -0.593 29.720 30.300 0.022 0.000 0.851 431 R HN 0.756 nan 8.270 nan 0.000 0.434 432 N N 0.046 118.750 118.700 0.007 0.000 2.289 432 N HA -0.157 4.583 4.740 0.001 0.000 0.184 432 N C 1.089 176.598 175.510 -0.001 0.000 1.016 432 N CA 1.007 54.060 53.050 0.004 0.000 0.872 432 N CB -0.008 38.480 38.487 0.003 0.000 0.973 432 N HN 0.434 nan 8.380 nan 0.000 0.433 433 E N -0.405 119.792 120.200 -0.005 0.000 2.481 433 E HA 0.034 4.384 4.350 0.001 0.000 0.195 433 E C 0.951 177.549 176.600 -0.004 0.000 1.047 433 E CA 0.111 56.506 56.400 -0.008 0.000 0.867 433 E CB 0.335 30.027 29.700 -0.014 0.000 0.858 433 E HN 0.463 nan 8.360 nan 0.000 0.513 434 G N 1.661 110.461 108.800 0.000 0.000 2.179 434 G HA2 -0.223 3.737 3.960 0.001 0.000 0.220 434 G HA3 -0.223 3.737 3.960 0.001 0.000 0.220 434 G C 0.178 175.081 174.900 0.005 0.000 0.990 434 G CA -0.469 44.632 45.100 0.003 0.000 0.646 434 G HN 0.040 nan 8.290 nan 0.000 0.517 435 R N 0.739 121.242 120.500 0.005 0.000 2.594 435 R HA 0.319 4.659 4.340 0.001 0.000 0.272 435 R C -0.768 175.539 176.300 0.013 0.000 1.074 435 R CA -0.366 55.739 56.100 0.008 0.000 1.105 435 R CB 0.651 30.956 30.300 0.008 0.000 1.008 435 R HN 0.211 nan 8.270 nan 0.000 0.472 436 D N 3.063 123.472 120.400 0.016 0.000 2.380 436 D HA 0.074 4.714 4.640 0.001 0.000 0.230 436 D C 1.077 177.393 176.300 0.026 0.000 1.154 436 D CA -0.209 53.802 54.000 0.018 0.000 0.859 436 D CB 0.803 41.613 40.800 0.016 0.000 1.045 436 D HN 0.403 nan 8.370 nan 0.000 0.495 437 L N 3.093 124.334 121.223 0.029 0.000 2.275 437 L HA -0.113 4.227 4.340 0.001 0.000 0.215 437 L C 2.383 179.281 176.870 0.047 0.000 1.119 437 L CA 0.909 55.774 54.840 0.041 0.000 0.790 437 L CB -0.230 41.856 42.059 0.045 0.000 0.919 437 L HN 0.442 nan 8.230 nan 0.000 0.443 438 A N 1.348 124.189 122.820 0.036 0.000 1.902 438 A HA -0.226 4.094 4.320 0.001 0.000 0.217 438 A C 2.383 179.991 177.584 0.040 0.000 1.181 438 A CA 2.126 54.184 52.037 0.035 0.000 0.623 438 A CB -0.360 18.653 19.000 0.021 0.000 0.818 438 A HN 0.594 nan 8.150 nan 0.000 0.443 439 R N -1.370 119.151 120.500 0.036 0.000 2.221 439 R HA 0.243 4.583 4.340 0.001 0.000 0.195 439 R C 1.155 177.482 176.300 0.045 0.000 0.956 439 R CA 0.778 56.900 56.100 0.037 0.000 1.064 439 R CB -0.217 30.099 30.300 0.026 0.000 1.049 439 R HN 0.385 nan 8.270 nan 0.000 0.534 440 E N 1.096 121.322 120.200 0.044 0.000 2.465 440 E HA 0.091 4.441 4.350 0.001 0.000 0.191 440 E C 1.417 178.055 176.600 0.062 0.000 1.053 440 E CA 0.231 56.659 56.400 0.047 0.000 0.869 440 E CB 0.687 30.407 29.700 0.033 0.000 0.977 440 E HN 0.585 nan 8.360 nan 0.000 0.483 441 G N 1.558 110.403 108.800 0.076 0.000 2.514 441 G HA2 -0.319 3.641 3.960 0.001 0.000 0.217 441 G HA3 -0.319 3.641 3.960 0.001 0.000 0.217 441 G C 1.539 176.519 174.900 0.134 0.000 1.198 441 G CA 0.891 46.050 45.100 0.099 0.000 0.780 441 G HN 0.414 nan 8.290 nan 0.000 0.565 442 G N 0.602 109.506 108.800 0.173 0.000 2.442 442 G HA2 -0.193 3.768 3.960 0.001 0.000 0.219 442 G HA3 -0.193 3.768 3.960 0.001 0.000 0.219 442 G C 1.491 176.515 174.900 0.207 0.000 1.141 442 G CA 1.429 46.688 45.100 0.265 0.000 0.763 442 G HN 0.370 nan 8.290 nan 0.000 0.554 443 D N 0.219 120.693 120.400 0.125 0.000 2.117 443 D HA -0.074 4.567 4.640 0.001 0.000 0.198 443 D C 2.803 179.140 176.300 0.062 0.000 0.982 443 D CA 0.713 54.766 54.000 0.089 0.000 0.828 443 D CB -0.497 40.340 40.800 0.061 0.000 0.967 443 D HN 0.209 nan 8.370 nan 0.000 0.464 444 V N 1.741 121.684 119.914 0.048 0.000 2.287 444 V HA -0.223 3.897 4.120 0.001 0.000 0.248 444 V C 2.482 178.574 176.094 -0.004 0.000 1.053 444 V CA 1.037 63.348 62.300 0.018 0.000 1.027 444 V CB -0.276 31.557 31.823 0.016 0.000 0.646 444 V HN 0.163 nan 8.190 nan 0.000 0.447 445 I N -0.059 120.499 120.570 -0.019 0.000 2.226 445 I HA -0.198 3.973 4.170 0.001 0.000 0.245 445 I C 2.637 178.678 176.117 -0.127 0.000 1.100 445 I CA 1.647 62.863 61.300 -0.140 0.000 1.374 445 I CB -1.263 36.549 38.000 -0.313 0.000 1.057 445 I HN 0.315 nan 8.210 nan 0.000 0.413 446 R N 0.240 120.736 120.500 -0.006 0.000 2.096 446 R HA -0.109 4.231 4.340 0.001 0.000 0.235 446 R C 2.469 178.798 176.300 0.048 0.000 1.127 446 R CA 1.628 57.760 56.100 0.054 0.000 0.968 446 R CB -0.252 30.132 30.300 0.140 0.000 0.861 446 R HN 0.288 nan 8.270 nan 0.000 0.440 447 S N 0.579 116.305 115.700 0.043 0.000 2.382 447 S HA -0.140 4.331 4.470 0.001 0.000 0.228 447 S C 1.999 176.651 174.600 0.086 0.000 1.027 447 S CA 1.277 59.507 58.200 0.049 0.000 0.991 447 S CB -0.083 63.127 63.200 0.017 0.000 0.823 447 S HN 0.479 nan 8.310 nan 0.000 0.469 448 A N 0.326 123.188 122.820 0.071 0.000 1.929 448 A HA -0.061 4.259 4.320 0.001 0.000 0.216 448 A C 2.372 180.070 177.584 0.190 0.000 1.176 448 A CA 1.024 53.163 52.037 0.170 0.000 0.628 448 A CB -1.173 17.882 19.000 0.091 0.000 0.816 448 A HN 0.581 nan 8.150 nan 0.000 0.444 449 C N -0.347 118.980 119.300 0.046 0.000 2.388 449 C HA -0.139 4.322 4.460 0.001 0.000 0.277 449 C C 2.618 177.636 174.990 0.047 0.000 1.210 449 C CA 1.598 60.617 59.018 0.001 0.000 1.743 449 C CB -1.073 26.647 27.740 -0.033 0.000 2.047 449 C HN 0.627 nan 8.230 nan 0.000 0.458 450 K N -1.361 119.091 120.400 0.087 0.000 2.360 450 K HA -0.199 4.121 4.320 0.001 0.000 0.201 450 K C 1.574 178.258 176.600 0.140 0.000 1.046 450 K CA 1.576 57.920 56.287 0.095 0.000 0.940 450 K CB -0.107 32.452 32.500 0.097 0.000 0.748 450 K HN 0.818 nan 8.250 nan 0.000 0.465 451 W N -0.336 120.956 121.300 -0.013 0.000 2.777 451 W HA 0.205 4.865 4.660 0.001 0.000 0.260 451 W C 0.169 176.685 176.519 -0.005 0.000 1.194 451 W CA -0.108 57.232 57.345 -0.008 0.000 1.447 451 W CB 0.534 29.987 29.460 -0.012 0.000 1.009 451 W HN -0.260 nan 8.180 nan 0.000 0.613 452 S N 1.356 116.872 115.700 -0.308 0.000 2.474 452 S HA 0.337 4.808 4.470 0.001 0.000 0.321 452 S C -1.729 172.722 174.600 -0.248 0.000 1.080 452 S CA -1.547 56.330 58.200 -0.538 0.000 1.106 452 S CB 1.453 64.430 63.200 -0.372 0.000 0.984 452 S HN -0.109 nan 8.310 nan 0.000 0.464 453 P HA 0.025 nan 4.420 nan 0.000 0.220 453 P C 0.838 178.039 177.300 -0.165 0.000 1.152 453 P CA 0.754 63.822 63.100 -0.054 0.000 0.812 453 P CB 0.224 31.998 31.700 0.123 0.000 0.792 454 E N -0.387 119.730 120.200 -0.139 0.000 2.051 454 E HA -0.160 4.190 4.350 0.001 0.000 0.192 454 E C 1.831 178.318 176.600 -0.188 0.000 0.991 454 E CA 0.852 57.116 56.400 -0.226 0.000 0.799 454 E CB -1.265 28.361 29.700 -0.122 0.000 0.748 454 E HN 0.099 nan 8.360 nan 0.000 0.449 455 L N 0.423 121.552 121.223 -0.158 0.000 2.056 455 L HA -0.030 4.310 4.340 0.001 0.000 0.207 455 L C 2.026 178.777 176.870 -0.198 0.000 1.078 455 L CA 1.970 56.723 54.840 -0.145 0.000 0.749 455 L CB -0.964 41.031 42.059 -0.107 0.000 0.901 455 L HN 0.115 nan 8.230 nan 0.000 0.433 456 A N -0.302 122.403 122.820 -0.192 0.000 1.883 456 A HA -0.192 4.129 4.320 0.001 0.000 0.217 456 A C 2.480 179.910 177.584 -0.256 0.000 1.186 456 A CA 2.159 54.093 52.037 -0.172 0.000 0.624 456 A CB -1.293 17.640 19.000 -0.112 0.000 0.822 456 A HN 0.573 nan 8.150 nan 0.000 0.444 457 A N -0.345 122.213 122.820 -0.437 0.000 1.940 457 A HA 0.102 4.422 4.320 0.001 0.000 0.219 457 A C 2.494 179.657 177.584 -0.701 0.000 1.176 457 A CA 2.344 53.980 52.037 -0.668 0.000 0.631 457 A CB -0.972 17.248 19.000 -1.300 0.000 0.814 457 A HN 1.108 nan 8.150 nan 0.000 0.446 458 A N -1.219 121.261 122.820 -0.567 0.000 1.897 458 A HA -0.112 4.208 4.320 0.001 0.000 0.215 458 A C 2.293 179.764 177.584 -0.189 0.000 1.181 458 A CA 1.519 53.298 52.037 -0.430 0.000 0.620 458 A CB -1.222 17.761 19.000 -0.028 0.000 0.821 458 A HN 0.591 nan 8.150 nan 0.000 0.443 459 C N -0.740 118.472 119.300 -0.145 0.000 2.425 459 C HA -0.079 4.382 4.460 0.001 0.000 0.277 459 C C 2.678 177.835 174.990 0.278 0.000 1.280 459 C CA 1.186 60.248 59.018 0.073 0.000 1.744 459 C CB -0.979 26.690 27.740 -0.119 0.000 1.989 459 C HN 0.632 nan 8.230 nan 0.000 0.491 460 E N 0.620 120.814 120.200 -0.009 0.000 2.072 460 E HA -0.135 4.215 4.350 0.001 0.000 0.191 460 E C 2.214 178.720 176.600 -0.156 0.000 0.985 460 E CA 1.183 57.549 56.400 -0.057 0.000 0.801 460 E CB -0.067 29.558 29.700 -0.125 0.000 0.750 460 E HN 0.467 nan 8.360 nan 0.000 0.452 461 V N -0.169 119.525 119.914 -0.366 0.000 2.453 461 V HA -0.170 3.950 4.120 0.001 0.000 0.247 461 V C 1.487 177.299 176.094 -0.470 0.000 1.048 461 V CA 1.153 63.107 62.300 -0.578 0.000 1.049 461 V CB -0.283 30.897 31.823 -1.073 0.000 0.672 461 V HN 0.369 nan 8.190 nan 0.000 0.457 462 W N -0.247 120.985 121.300 -0.113 0.000 2.966 462 W HA 0.338 4.998 4.660 0.001 0.000 0.406 462 W C 1.825 178.212 176.519 -0.221 0.000 1.027 462 W CA -0.891 56.296 57.345 -0.264 0.000 1.930 462 W CB -0.267 28.834 29.460 -0.598 0.000 1.144 462 W HN 0.263 nan 8.180 nan 0.000 0.626 463 K N 1.227 121.652 120.400 0.042 0.000 2.032 463 K HA -0.190 4.131 4.320 0.001 0.000 0.209 463 K C 1.237 177.629 176.600 -0.347 0.000 1.048 463 K CA 1.553 57.685 56.287 -0.258 0.000 0.927 463 K CB 0.262 32.662 32.500 -0.166 0.000 0.712 463 K HN -0.103 nan 8.250 nan 0.000 0.441 464 E N 0.527 120.618 120.200 -0.182 0.000 2.489 464 E HA 0.008 4.359 4.350 0.001 0.000 0.193 464 E C 0.006 176.535 176.600 -0.119 0.000 1.057 464 E CA 0.169 56.473 56.400 -0.159 0.000 0.866 464 E CB 0.270 29.900 29.700 -0.117 0.000 0.916 464 E HN 0.247 nan 8.360 nan 0.000 0.500 465 I N 1.869 122.396 120.570 -0.071 0.000 2.312 465 I HA 0.209 4.380 4.170 0.001 0.000 0.291 465 I C 0.331 176.455 176.117 0.012 0.000 1.031 465 I CA -0.177 61.100 61.300 -0.039 0.000 1.293 465 I CB 0.272 38.293 38.000 0.036 0.000 1.403 465 I HN -0.262 nan 8.210 nan 0.000 0.484 466 K N 5.334 125.611 120.400 -0.205 0.000 2.482 466 K HA 0.609 4.929 4.320 0.001 0.000 0.257 466 K C -1.398 174.940 176.600 -0.437 0.000 0.969 466 K CA -0.535 55.669 56.287 -0.139 0.000 0.842 466 K CB 2.500 34.956 32.500 -0.074 0.000 1.359 466 K HN 0.164 nan 8.250 nan 0.000 0.441 467 F N 1.564 121.594 119.950 0.134 0.000 2.564 467 F HA 0.290 4.818 4.527 0.001 0.000 0.368 467 F C -0.533 175.310 175.800 0.072 0.000 1.127 467 F CA -0.498 57.589 58.000 0.144 0.000 1.170 467 F CB 1.352 40.477 39.000 0.209 0.000 1.397 467 F HN 0.306 nan 8.300 nan 0.000 0.493 468 E N 3.064 123.220 120.200 -0.074 0.000 2.186 468 E HA 0.536 4.886 4.350 0.001 0.000 0.255 468 E C -1.215 175.174 176.600 -0.351 0.000 0.881 468 E CA -0.387 55.950 56.400 -0.105 0.000 0.752 468 E CB 1.509 31.146 29.700 -0.104 0.000 1.176 468 E HN 0.270 nan 8.360 nan 0.000 0.421 469 F N 0.524 120.523 119.950 0.082 0.000 2.613 469 F HA 0.206 4.734 4.527 0.001 0.000 0.314 469 F C 0.136 175.968 175.800 0.052 0.000 1.075 469 F CA -1.253 56.786 58.000 0.066 0.000 0.945 469 F CB 1.437 40.482 39.000 0.075 0.000 1.310 469 F HN 0.234 nan 8.300 nan 0.000 0.467 470 D N 1.001 121.546 120.400 0.243 0.000 2.450 470 D HA 0.109 4.749 4.640 0.001 0.000 0.247 470 D C -0.403 175.976 176.300 0.133 0.000 1.162 470 D CA 0.338 54.425 54.000 0.146 0.000 0.879 470 D CB 0.735 41.602 40.800 0.113 0.000 1.163 470 D HN 0.433 nan 8.370 nan 0.000 0.472 471 T N 5.826 120.443 114.554 0.104 0.000 2.834 471 T HA 0.067 4.417 4.350 0.001 0.000 0.298 471 T C 1.439 176.184 174.700 0.075 0.000 0.966 471 T CA -0.715 61.438 62.100 0.090 0.000 1.141 471 T CB 0.708 69.626 68.868 0.083 0.000 0.905 471 T HN 0.306 nan 8.240 nan 0.000 0.535 472 I N 1.688 122.297 120.570 0.065 0.000 2.270 472 I HA 0.024 4.195 4.170 0.001 0.000 0.239 472 I C 1.371 177.529 176.117 0.068 0.000 1.080 472 I CA 0.795 62.128 61.300 0.055 0.000 1.383 472 I CB -0.788 37.231 38.000 0.033 0.000 1.097 472 I HN 0.583 nan 8.210 nan 0.000 0.420 473 D N 2.989 123.436 120.400 0.078 0.000 2.441 473 D HA 0.059 4.699 4.640 0.001 0.000 0.243 473 D C 0.111 176.493 176.300 0.136 0.000 1.257 473 D CA 0.298 54.367 54.000 0.114 0.000 1.027 473 D CB -0.017 40.852 40.800 0.115 0.000 1.084 473 D HN 0.078 nan 8.370 nan 0.000 0.514 474 K N 2.095 122.565 120.400 0.116 0.000 2.109 474 K HA 0.411 4.731 4.320 0.001 0.000 0.243 474 K C 0.499 177.168 176.600 0.114 0.000 1.006 474 K CA -0.958 55.390 56.287 0.103 0.000 0.917 474 K CB 1.321 33.865 32.500 0.072 0.000 1.081 474 K HN 0.301 nan 8.250 nan 0.000 0.468 475 L N 0.000 121.274 121.223 0.085 0.000 2.949 475 L HA 0.000 4.340 4.340 0.001 0.000 0.249 475 L CA 0.000 54.880 54.840 0.067 0.000 0.813 475 L CB 0.000 42.074 42.059 0.026 0.000 0.961 475 L HN 0.000 nan 8.230 nan 0.000 0.502