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 2v3d_1_A DATA FIRST_RESID -1 DATA SEQUENCE EFARPcIPKS FGYSSVVcVc NATYcDSFDX XXXPALGTFS RYESTRSGRR DATA SEQUENCE MELSMGPIQA NHTGTGLLLT LQPEQKFQKV KGFGGAMTDA AALNILALSP DATA SEQUENCE PAQNLLLKSY FSEEGIGYNI IRVPMASCDF SIRTYTYADT PDDFQLHNFS DATA SEQUENCE LPEEDTKLKI PLIHRALQLA QRPVSLLASP WTSPTWLKTN GAVNGKGSLK DATA SEQUENCE GQPGDIYHQT WARYFVKFLD AYAEHKLQFW AVTAENEPSA GLLSGYPFQC DATA SEQUENCE LGFTPEHQRD FIARDLGPTL ANSTHHNVRL LMLDDQRLLL PHWAKVVLTD DATA SEQUENCE PEAAKYVHGI AVHWYLDFLA PAKATLGETH RLFPNTMLFA SEACVGSKFW DATA SEQUENCE EQSVRLGSWD RGMQYSHSII TNLLYHVVGW TDWNLALNPE GGPNWVRNFV DATA SEQUENCE DSPIIVDITK DTFYKQPMFY HLGHFSKFIP EGSQRVGLVA SQKNDLDAVA DATA SEQUENCE LMHPDGSAVV VVLNRSSKDV PLTIKDPAVG FLETISPGYS IHTYLWHRQL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f -1 E HA 0.000 nan 4.350 nan 0.000 0.291 -1 E C 0.000 176.413 176.600 -0.311 0.000 1.382 -1 E CA 0.000 56.323 56.400 -0.129 0.000 0.976 -1 E CB 0.000 29.716 29.700 0.026 0.000 0.812 0 F N 1.567 121.532 119.950 0.025 0.000 2.426 0 F HA 0.720 5.292 4.527 0.075 0.000 0.348 0 F C 0.884 176.685 175.800 0.002 0.000 1.124 0 F CA -0.440 57.568 58.000 0.014 0.000 1.008 0 F CB 2.136 41.132 39.000 -0.005 0.000 1.139 0 F HN 0.639 nan 8.300 nan 0.000 0.452 1 A N 5.192 128.116 122.820 0.173 0.000 2.548 1 A HA 0.409 4.774 4.320 0.075 0.000 0.247 1 A C 0.134 177.764 177.584 0.076 0.000 1.067 1 A CA 0.042 52.140 52.037 0.102 0.000 0.757 1 A CB 0.052 19.115 19.000 0.104 0.000 0.996 1 A HN 0.865 nan 8.150 nan 0.000 0.504 2 R N 3.275 123.766 120.500 -0.014 0.000 2.538 2 R HA 0.435 4.820 4.340 0.075 0.000 0.292 2 R C -2.871 173.430 176.300 0.002 0.000 1.008 2 R CA -1.706 54.374 56.100 -0.033 0.000 0.896 2 R CB 2.496 32.634 30.300 -0.270 0.000 1.187 2 R HN 0.570 nan 8.270 nan 0.000 0.440 3 P HA 0.027 nan 4.420 nan 0.000 0.274 3 P C 0.042 177.416 177.300 0.123 0.000 1.246 3 P CA -0.544 62.597 63.100 0.068 0.000 0.795 3 P CB 0.703 32.438 31.700 0.058 0.000 1.006 4 c N 3.078 121.702 118.600 0.039 0.000 2.538 4 c HA 0.071 4.686 4.570 0.075 0.000 0.408 4 c C 0.726 174.838 174.090 0.037 0.000 1.421 4 c CA -0.361 55.993 56.329 0.041 0.000 1.642 4 c CB -1.973 40.513 42.510 -0.041 0.000 2.553 4 c HN 0.257 nan 8.230 nan 0.000 0.604 5 I N 9.741 130.331 120.570 0.033 0.000 2.269 5 I HA 0.267 4.482 4.170 0.075 0.000 0.293 5 I C -1.570 174.536 176.117 -0.018 0.000 1.106 5 I CA -2.409 58.854 61.300 -0.061 0.000 1.248 5 I CB 0.221 38.114 38.000 -0.177 0.000 1.444 5 I HN 0.575 nan 8.210 nan 0.000 0.497 6 P HA 0.303 nan 4.420 nan 0.000 0.278 6 P C -0.637 176.650 177.300 -0.022 0.000 1.238 6 P CA -0.550 62.547 63.100 -0.005 0.000 0.794 6 P CB 1.743 33.429 31.700 -0.023 0.000 0.955 7 K N 0.878 121.277 120.400 -0.001 0.000 2.525 7 K HA 0.423 4.788 4.320 0.075 0.000 0.254 7 K C -1.149 175.382 176.600 -0.115 0.000 0.934 7 K CA -0.564 55.662 56.287 -0.102 0.000 0.802 7 K CB 1.852 34.277 32.500 -0.125 0.000 1.295 7 K HN 0.349 nan 8.250 nan 0.000 0.433 8 S N 2.917 118.475 115.700 -0.237 0.000 2.489 8 S HA 0.511 5.025 4.470 0.075 0.000 0.291 8 S C -0.478 173.871 174.600 -0.419 0.000 1.151 8 S CA -0.530 57.565 58.200 -0.175 0.000 1.082 8 S CB 0.320 63.443 63.200 -0.129 0.000 1.019 8 S HN 0.529 nan 8.310 nan 0.000 0.492 9 F N 2.486 122.394 119.950 -0.069 0.000 2.698 9 F HA 0.383 4.955 4.527 0.075 0.000 0.304 9 F C 1.637 177.257 175.800 -0.300 0.000 1.108 9 F CA 0.108 58.044 58.000 -0.106 0.000 1.263 9 F CB 0.727 39.724 39.000 -0.005 0.000 1.013 9 F HN 0.891 nan 8.300 nan 0.000 0.532 10 G N -0.662 108.025 108.800 -0.188 0.000 2.157 10 G HA2 -0.306 3.699 3.960 0.075 0.000 0.239 10 G HA3 -0.306 3.699 3.960 0.075 0.000 0.239 10 G C 0.020 174.625 174.900 -0.492 0.000 0.982 10 G CA -0.270 44.621 45.100 -0.349 0.000 0.650 10 G HN 0.367 nan 8.290 nan 0.000 0.527 11 Y N 0.522 120.868 120.300 0.076 0.000 2.534 11 Y HA 0.471 5.066 4.550 0.075 0.000 0.338 11 Y C 2.211 178.144 175.900 0.055 0.000 1.279 11 Y CA 0.039 58.180 58.100 0.068 0.000 1.436 11 Y CB 0.555 39.066 38.460 0.084 0.000 1.573 11 Y HN 0.198 nan 8.280 nan 0.000 0.567 12 S N -1.297 114.549 115.700 0.244 0.000 2.442 12 S HA -0.029 4.486 4.470 0.075 0.000 0.236 12 S C 0.689 175.345 174.600 0.093 0.000 1.007 12 S CA 0.953 59.226 58.200 0.121 0.000 0.965 12 S CB -0.158 63.110 63.200 0.113 0.000 0.773 12 S HN 0.474 nan 8.310 nan 0.000 0.504 13 S N -0.629 115.177 115.700 0.177 0.000 2.819 13 S HA 0.669 5.183 4.470 0.075 0.000 0.299 13 S C -0.920 173.784 174.600 0.173 0.000 1.192 13 S CA -0.282 58.006 58.200 0.147 0.000 0.847 13 S CB 1.105 64.459 63.200 0.256 0.000 1.224 13 S HN 0.752 nan 8.310 nan 0.000 0.537 14 V N 0.969 120.975 119.914 0.154 0.000 2.834 14 V HA 0.930 5.095 4.120 0.075 0.000 0.313 14 V C 0.252 176.473 176.094 0.213 0.000 1.060 14 V CA -0.481 61.907 62.300 0.146 0.000 0.989 14 V CB 0.937 32.800 31.823 0.066 0.000 1.041 14 V HN 0.898 nan 8.190 nan 0.000 0.459 15 V N -0.156 119.894 119.914 0.226 0.000 2.973 15 V HA 0.662 4.827 4.120 0.075 0.000 0.314 15 V C 0.116 176.342 176.094 0.219 0.000 1.066 15 V CA -0.538 61.916 62.300 0.257 0.000 1.021 15 V CB 1.181 33.166 31.823 0.269 0.000 1.076 15 V HN 1.083 nan 8.190 nan 0.000 0.462 16 c N 2.391 121.137 118.600 0.243 0.000 2.303 16 c HA 0.676 5.291 4.570 0.075 0.000 0.326 16 c C 0.245 174.416 174.090 0.135 0.000 1.285 16 c CA -0.648 55.780 56.329 0.165 0.000 1.675 16 c CB 0.183 42.798 42.510 0.176 0.000 2.289 16 c HN 0.756 nan 8.230 nan 0.000 0.512 17 V N 3.070 123.043 119.914 0.100 0.000 2.432 17 V HA 0.396 4.561 4.120 0.075 0.000 0.275 17 V C 0.230 176.225 176.094 -0.165 0.000 1.043 17 V CA -0.128 62.191 62.300 0.032 0.000 0.925 17 V CB 0.533 32.423 31.823 0.111 0.000 0.985 17 V HN 1.064 nan 8.190 nan 0.000 0.466 18 c N 5.111 123.417 118.600 -0.489 0.000 2.707 18 c HA 0.850 5.465 4.570 0.075 0.000 0.313 18 c C 0.133 173.873 174.090 -0.584 0.000 1.209 18 c CA -0.691 55.252 56.329 -0.644 0.000 1.635 18 c CB 1.626 43.301 42.510 -1.392 0.000 2.206 18 c HN 1.096 nan 8.230 nan 0.000 0.485 19 N N 0.092 118.630 118.700 -0.269 0.000 3.506 19 N HA 0.523 5.308 4.740 0.075 0.000 0.331 19 N C 0.374 175.898 175.510 0.023 0.000 1.631 19 N CA -0.125 52.864 53.050 -0.102 0.000 0.786 19 N CB 0.059 38.508 38.487 -0.065 0.000 2.023 19 N HN 0.521 nan 8.380 nan 0.000 0.621 20 A N -1.037 121.809 122.820 0.044 0.000 2.024 20 A HA -0.073 4.292 4.320 0.075 0.000 0.220 20 A C 1.486 179.103 177.584 0.055 0.000 1.164 20 A CA 2.712 54.785 52.037 0.059 0.000 0.643 20 A CB -1.310 17.715 19.000 0.042 0.000 0.806 20 A HN 0.919 nan 8.150 nan 0.000 0.451 21 T N -6.611 107.976 114.554 0.055 0.000 3.043 21 T HA 0.386 4.781 4.350 0.075 0.000 0.272 21 T C -0.158 174.603 174.700 0.102 0.000 0.990 21 T CA -0.143 61.994 62.100 0.062 0.000 0.897 21 T CB -0.107 68.794 68.868 0.054 0.000 1.111 21 T HN 0.303 nan 8.240 nan 0.000 0.529 22 Y N 0.177 120.447 120.300 -0.050 0.000 2.433 22 Y HA 0.599 5.194 4.550 0.075 0.000 0.337 22 Y C -1.496 174.338 175.900 -0.110 0.000 1.026 22 Y CA -1.369 56.691 58.100 -0.067 0.000 1.037 22 Y CB 1.893 40.307 38.460 -0.077 0.000 1.245 22 Y HN 0.314 nan 8.280 nan 0.000 0.443 23 c N 6.569 124.928 118.600 -0.401 0.000 2.985 23 c HA 0.374 4.989 4.570 0.075 0.000 0.314 23 c C -1.305 172.542 174.090 -0.405 0.000 1.215 23 c CA -0.833 55.342 56.329 -0.257 0.000 1.414 23 c CB 0.836 43.277 42.510 -0.115 0.000 1.842 23 c HN 0.931 nan 8.230 nan 0.000 0.477 24 D N 2.995 123.296 120.400 -0.166 0.000 2.443 24 D HA 0.407 5.092 4.640 0.075 0.000 0.239 24 D C -0.123 176.079 176.300 -0.164 0.000 1.136 24 D CA 0.395 54.313 54.000 -0.136 0.000 0.879 24 D CB 1.123 41.917 40.800 -0.009 0.000 1.195 24 D HN 0.812 nan 8.370 nan 0.000 0.443 25 S N 0.024 115.599 115.700 -0.208 0.000 2.672 25 S HA 0.643 5.158 4.470 0.075 0.000 0.271 25 S C -1.116 173.330 174.600 -0.258 0.000 1.171 25 S CA -1.071 57.028 58.200 -0.169 0.000 0.817 25 S CB 0.780 63.961 63.200 -0.032 0.000 1.150 25 S HN 0.373 nan 8.310 nan 0.000 0.478 26 F N 1.299 121.294 119.950 0.074 0.000 2.470 26 F HA 0.508 5.080 4.527 0.075 0.000 0.329 26 F C 0.990 176.827 175.800 0.061 0.000 1.072 26 F CA -0.635 57.419 58.000 0.091 0.000 0.989 26 F CB 0.835 39.890 39.000 0.092 0.000 1.193 26 F HN 0.539 nan 8.300 nan 0.000 0.481 33 A N 1.530 124.403 122.820 0.090 0.000 2.567 33 A HA 0.491 4.856 4.320 0.075 0.000 0.240 33 A C 1.000 178.652 177.584 0.114 0.000 1.053 33 A CA 0.396 52.492 52.037 0.099 0.000 0.755 33 A CB -0.269 18.762 19.000 0.051 0.000 0.978 33 A HN 1.028 nan 8.150 nan 0.000 0.507 34 L N 2.037 123.346 121.223 0.143 0.000 2.473 34 L HA 0.593 4.978 4.340 0.075 0.000 0.268 34 L C 1.125 178.045 176.870 0.084 0.000 1.215 34 L CA -0.012 54.912 54.840 0.140 0.000 0.823 34 L CB -0.227 41.919 42.059 0.146 0.000 1.099 34 L HN 1.320 nan 8.230 nan 0.000 0.483 35 G N 1.311 110.155 108.800 0.072 0.000 3.161 35 G HA2 0.500 4.505 3.960 0.075 0.000 0.293 35 G HA3 0.500 4.505 3.960 0.075 0.000 0.293 35 G C 0.381 175.317 174.900 0.061 0.000 0.893 35 G CA 0.580 45.732 45.100 0.087 0.000 1.756 35 G HN 1.375 nan 8.290 nan 0.000 0.549 36 T N -0.713 113.877 114.554 0.060 0.000 2.940 36 T HA 0.762 5.157 4.350 0.075 0.000 0.288 36 T C -0.253 174.498 174.700 0.085 0.000 1.033 36 T CA -0.989 61.104 62.100 -0.011 0.000 1.033 36 T CB 1.722 70.538 68.868 -0.087 0.000 1.079 36 T HN 0.426 nan 8.240 nan 0.000 0.496 37 F N -0.311 119.645 119.950 0.011 0.000 2.523 37 F HA 0.854 5.427 4.527 0.078 0.000 0.329 37 F C -0.304 175.513 175.800 0.028 0.000 1.061 37 F CA -1.192 56.849 58.000 0.069 0.000 0.967 37 F CB 1.196 40.233 39.000 0.061 0.000 1.218 37 F HN 0.545 nan 8.300 nan 0.000 0.480 38 S N 1.540 117.384 115.700 0.241 0.000 2.525 38 S HA 0.550 5.065 4.470 0.075 0.000 0.290 38 S C -0.774 173.893 174.600 0.110 0.000 1.152 38 S CA -0.853 57.360 58.200 0.022 0.000 1.072 38 S CB 1.293 64.446 63.200 -0.078 0.000 1.027 38 S HN 0.716 nan 8.310 nan 0.000 0.500 39 R N 1.974 122.383 120.500 -0.151 0.000 2.513 39 R HA 0.395 4.780 4.340 0.075 0.000 0.301 39 R C -1.964 174.012 176.300 -0.540 0.000 0.968 39 R CA -0.470 55.421 56.100 -0.348 0.000 0.872 39 R CB 0.866 31.021 30.300 -0.241 0.000 1.177 39 R HN 0.664 nan 8.270 nan 0.000 0.444 40 Y N 1.959 122.037 120.300 -0.370 0.000 2.335 40 Y HA 0.261 4.856 4.550 0.074 0.000 0.338 40 Y C 0.015 175.880 175.900 -0.060 0.000 0.977 40 Y CA -0.419 57.572 58.100 -0.182 0.000 1.114 40 Y CB 1.823 40.144 38.460 -0.231 0.000 1.182 40 Y HN 0.537 nan 8.280 nan 0.000 0.463 41 E N 2.104 122.367 120.200 0.106 0.000 2.210 41 E HA 0.624 5.019 4.350 0.075 0.000 0.266 41 E C -1.403 175.385 176.600 0.313 0.000 0.883 41 E CA -0.598 55.884 56.400 0.137 0.000 0.761 41 E CB 1.209 30.830 29.700 -0.132 0.000 1.156 41 E HN 0.553 nan 8.360 nan 0.000 0.412 42 S N 2.205 118.137 115.700 0.387 0.000 2.500 42 S HA 0.553 5.068 4.470 0.075 0.000 0.301 42 S C -0.791 174.019 174.600 0.351 0.000 1.092 42 S CA -0.750 57.679 58.200 0.382 0.000 1.030 42 S CB 1.720 65.230 63.200 0.515 0.000 1.031 42 S HN 0.652 nan 8.310 nan 0.000 0.483 43 T N -0.806 113.822 114.554 0.124 0.000 2.907 43 T HA 0.495 4.890 4.350 0.075 0.000 0.292 43 T C 0.805 174.922 174.700 -0.970 0.000 1.043 43 T CA -0.981 60.990 62.100 -0.215 0.000 1.003 43 T CB 1.661 70.463 68.868 -0.111 0.000 1.084 43 T HN 0.469 nan 8.240 nan 0.000 0.483 44 R N 0.951 120.522 120.500 -1.548 0.000 2.117 44 R HA -0.140 4.245 4.340 0.075 0.000 0.243 44 R C 2.365 178.307 176.300 -0.598 0.000 1.143 44 R CA 2.205 57.389 56.100 -1.527 0.000 0.968 44 R CB -0.656 28.913 30.300 -1.219 0.000 0.863 44 R HN 0.836 nan 8.270 nan 0.000 0.444 45 S N -1.753 113.723 115.700 -0.375 0.000 2.469 45 S HA -0.001 4.514 4.470 0.075 0.000 0.238 45 S C 1.342 175.855 174.600 -0.145 0.000 0.998 45 S CA 1.018 59.104 58.200 -0.190 0.000 0.957 45 S CB 0.343 63.474 63.200 -0.116 0.000 0.764 45 S HN 0.623 nan 8.310 nan 0.000 0.514 46 G N 0.367 109.068 108.800 -0.165 0.000 2.318 46 G HA2 -0.124 3.881 3.960 0.075 0.000 0.172 46 G HA3 -0.124 3.881 3.960 0.075 0.000 0.172 46 G C 0.022 174.885 174.900 -0.062 0.000 1.002 46 G CA -0.583 44.463 45.100 -0.090 0.000 0.697 46 G HN 0.488 nan 8.290 nan 0.000 0.483 47 R N 0.714 121.184 120.500 -0.049 0.000 2.537 47 R HA 0.468 4.853 4.340 0.075 0.000 0.280 47 R C -0.162 176.147 176.300 0.015 0.000 1.058 47 R CA 0.092 56.188 56.100 -0.007 0.000 1.057 47 R CB 0.363 30.678 30.300 0.025 0.000 0.973 47 R HN -0.007 nan 8.270 nan 0.000 0.438 48 R N 4.118 124.604 120.500 -0.023 0.000 2.407 48 R HA 0.173 4.558 4.340 0.075 0.000 0.298 48 R C -0.049 176.291 176.300 0.066 0.000 1.166 48 R CA -0.483 55.547 56.100 -0.117 0.000 1.006 48 R CB 1.026 31.064 30.300 -0.437 0.000 1.145 48 R HN 0.806 nan 8.270 nan 0.000 0.538 49 M N 0.714 120.476 119.600 0.271 0.000 2.206 49 M HA -0.254 4.270 4.480 0.075 0.000 0.197 49 M C -0.512 176.053 176.300 0.443 0.000 0.375 49 M CA 1.302 56.848 55.300 0.410 0.000 0.410 49 M CB -1.247 31.679 32.600 0.544 0.000 1.204 49 M HN 0.402 nan 8.290 nan 0.000 0.932 50 E N 0.840 121.178 120.200 0.230 0.000 2.338 50 E HA 0.386 4.781 4.350 0.075 0.000 0.272 50 E C -0.283 176.309 176.600 -0.014 0.000 1.029 50 E CA -0.653 55.816 56.400 0.114 0.000 0.872 50 E CB 1.224 30.945 29.700 0.035 0.000 1.015 50 E HN 0.260 nan 8.360 nan 0.000 0.417 51 L N 2.704 123.863 121.223 -0.106 0.000 2.312 51 L HA 0.274 4.658 4.340 0.075 0.000 0.281 51 L C -0.454 176.259 176.870 -0.262 0.000 1.070 51 L CA 0.335 54.934 54.840 -0.402 0.000 0.805 51 L CB 0.967 42.801 42.059 -0.376 0.000 1.174 51 L HN 0.628 nan 8.230 nan 0.000 0.434 52 S N 3.948 119.463 115.700 -0.309 0.000 2.671 52 S HA 0.906 5.421 4.470 0.075 0.000 0.277 52 S C -0.730 173.719 174.600 -0.252 0.000 1.165 52 S CA -0.923 57.148 58.200 -0.215 0.000 0.822 52 S CB 1.654 64.761 63.200 -0.156 0.000 1.150 52 S HN 0.763 nan 8.310 nan 0.000 0.479 53 M N -0.162 119.281 119.600 -0.262 0.000 2.572 53 M HA 0.977 5.502 4.480 0.075 0.000 0.299 53 M C -0.355 175.592 176.300 -0.589 0.000 1.205 53 M CA -0.306 54.749 55.300 -0.407 0.000 0.876 53 M CB 1.489 33.914 32.600 -0.290 0.000 1.728 53 M HN 1.027 nan 8.290 nan 0.000 0.458 54 G N 0.382 108.468 108.800 -1.190 0.000 2.694 54 G HA2 0.855 4.860 3.960 0.075 0.000 0.290 54 G HA3 0.855 4.860 3.960 0.075 0.000 0.290 54 G C -3.343 171.092 174.900 -0.775 0.000 1.386 54 G CA -1.648 42.802 45.100 -1.084 0.000 0.872 54 G HN 0.664 nan 8.290 nan 0.000 0.475 55 P HA 0.426 nan 4.420 nan 0.000 0.282 55 P C -0.539 176.842 177.300 0.135 0.000 1.249 55 P CA -0.408 62.658 63.100 -0.056 0.000 0.806 55 P CB 1.903 33.595 31.700 -0.013 0.000 0.984 56 I N 3.168 123.805 120.570 0.110 0.000 2.304 56 I HA 0.121 4.336 4.170 0.075 0.000 0.291 56 I C 1.010 177.172 176.117 0.075 0.000 1.018 56 I CA -0.550 60.800 61.300 0.084 0.000 1.260 56 I CB 0.766 38.767 38.000 0.001 0.000 1.390 56 I HN 0.178 nan 8.210 nan 0.000 0.475 57 Q N 5.456 125.324 119.800 0.113 0.000 2.260 57 Q HA 0.366 4.751 4.340 0.075 0.000 0.242 57 Q C 0.766 176.888 176.000 0.204 0.000 0.932 57 Q CA -0.432 55.451 55.803 0.133 0.000 0.891 57 Q CB 1.289 30.100 28.738 0.122 0.000 1.222 57 Q HN 0.761 nan 8.270 nan 0.000 0.453 58 A N 2.974 125.889 122.820 0.158 0.000 1.930 58 A HA -0.101 4.264 4.320 0.075 0.000 0.217 58 A C 0.305 178.073 177.584 0.307 0.000 1.175 58 A CA 1.220 53.364 52.037 0.179 0.000 0.627 58 A CB -0.157 18.904 19.000 0.101 0.000 0.815 58 A HN 0.835 nan 8.150 nan 0.000 0.443 59 N N -1.922 116.895 118.700 0.195 0.000 2.453 59 N HA 0.542 5.327 4.740 0.075 0.000 0.290 59 N C -0.859 174.443 175.510 -0.346 0.000 1.250 59 N CA -0.654 52.410 53.050 0.023 0.000 0.815 59 N CB 1.178 39.646 38.487 -0.032 0.000 1.381 59 N HN 0.390 nan 8.380 nan 0.000 0.510 60 H N -0.364 118.163 119.070 -0.906 0.000 2.974 60 H HA 0.472 5.062 4.556 0.058 0.000 0.366 60 H C -1.749 173.277 175.328 -0.503 0.000 1.155 60 H CA -0.501 55.023 56.048 -0.873 0.000 1.186 60 H CB 1.637 30.444 29.762 -1.591 0.000 1.799 60 H HN 0.594 nan 8.280 nan 0.000 0.541 61 T N 2.568 116.559 114.554 -0.938 0.000 2.886 61 T HA 0.666 5.060 4.350 0.075 0.000 0.292 61 T C -0.200 174.023 174.700 -0.796 0.000 1.012 61 T CA -0.175 61.492 62.100 -0.722 0.000 0.982 61 T CB 1.775 70.434 68.868 -0.348 0.000 1.018 61 T HN 0.964 nan 8.240 nan 0.000 0.451 62 G N 0.655 109.140 108.800 -0.525 0.000 2.350 62 G HA2 0.355 4.360 3.960 0.075 0.000 0.304 62 G HA3 0.355 4.360 3.960 0.075 0.000 0.304 62 G C 0.107 174.955 174.900 -0.086 0.000 1.421 62 G CA -0.045 44.905 45.100 -0.249 0.000 0.934 62 G HN 0.905 nan 8.290 nan 0.000 0.632 63 T N -1.816 112.722 114.554 -0.025 0.000 3.054 63 T HA 0.529 4.924 4.350 0.075 0.000 0.255 63 T C 1.332 176.052 174.700 0.033 0.000 1.035 63 T CA 1.132 63.238 62.100 0.009 0.000 0.941 63 T CB 0.443 69.308 68.868 -0.005 0.000 1.026 63 T HN 1.528 nan 8.240 nan 0.000 0.533 64 G N 1.844 110.675 108.800 0.052 0.000 2.683 64 G HA2 0.452 4.457 3.960 0.075 0.000 0.260 64 G HA3 0.452 4.457 3.960 0.075 0.000 0.260 64 G C -0.197 174.728 174.900 0.043 0.000 1.238 64 G CA -0.826 44.301 45.100 0.045 0.000 0.934 64 G HN 0.467 nan 8.290 nan 0.000 0.534 65 L N -0.492 120.740 121.223 0.015 0.000 2.540 65 L HA 0.403 4.788 4.340 0.075 0.000 0.276 65 L C -0.285 176.570 176.870 -0.025 0.000 1.212 65 L CA -0.018 54.821 54.840 -0.001 0.000 0.893 65 L CB 0.569 42.621 42.059 -0.011 0.000 1.138 65 L HN 0.342 nan 8.230 nan 0.000 0.491 66 L N 6.109 127.319 121.223 -0.021 0.000 2.385 66 L HA 0.566 4.951 4.340 0.075 0.000 0.273 66 L C -1.384 175.464 176.870 -0.037 0.000 0.990 66 L CA -0.267 54.541 54.840 -0.053 0.000 0.821 66 L CB 1.590 43.638 42.059 -0.018 0.000 1.279 66 L HN 0.564 nan 8.230 nan 0.000 0.412 67 L N 4.867 126.052 121.223 -0.063 0.000 2.294 67 L HA 0.509 4.894 4.340 0.075 0.000 0.283 67 L C -0.435 176.409 176.870 -0.044 0.000 1.015 67 L CA -0.406 54.407 54.840 -0.044 0.000 0.831 67 L CB 1.604 43.631 42.059 -0.053 0.000 1.217 67 L HN 0.584 nan 8.230 nan 0.000 0.420 68 T N 4.121 118.667 114.554 -0.014 0.000 2.756 68 T HA 0.337 4.732 4.350 0.075 0.000 0.290 68 T C -0.088 174.620 174.700 0.015 0.000 0.985 68 T CA -0.436 61.656 62.100 -0.013 0.000 0.955 68 T CB 1.366 70.236 68.868 0.003 0.000 0.930 68 T HN 0.237 nan 8.240 nan 0.000 0.451 69 L N 4.036 125.275 121.223 0.027 0.000 2.490 69 L HA 0.136 4.521 4.340 0.075 0.000 0.274 69 L C 0.281 177.180 176.870 0.048 0.000 1.201 69 L CA 0.773 55.653 54.840 0.065 0.000 0.869 69 L CB 0.326 42.458 42.059 0.122 0.000 1.123 69 L HN 0.618 nan 8.230 nan 0.000 0.484 70 Q N 6.895 126.732 119.800 0.062 0.000 2.700 70 Q HA 0.254 4.639 4.340 0.075 0.000 0.249 70 Q C -1.822 174.205 176.000 0.045 0.000 1.033 70 Q CA -1.553 54.281 55.803 0.052 0.000 0.804 70 Q CB 1.118 29.896 28.738 0.067 0.000 1.164 70 Q HN 0.533 nan 8.270 nan 0.000 0.500 71 P HA -0.140 nan 4.420 nan 0.000 0.223 71 P C 0.502 177.799 177.300 -0.006 0.000 1.151 71 P CA 1.050 64.161 63.100 0.017 0.000 0.787 71 P CB 0.558 32.269 31.700 0.017 0.000 0.788 72 E N -0.658 119.533 120.200 -0.014 0.000 2.478 72 E HA 0.030 4.425 4.350 0.075 0.000 0.194 72 E C 0.653 177.201 176.600 -0.086 0.000 1.045 72 E CA 0.470 56.847 56.400 -0.038 0.000 0.868 72 E CB -0.222 29.463 29.700 -0.025 0.000 0.885 72 E HN 0.378 nan 8.360 nan 0.000 0.505 73 Q N 1.532 121.273 119.800 -0.098 0.000 2.377 73 Q HA 0.200 4.585 4.340 0.075 0.000 0.249 73 Q C -0.196 175.546 176.000 -0.430 0.000 1.005 73 Q CA -0.029 55.625 55.803 -0.247 0.000 0.912 73 Q CB 1.079 29.749 28.738 -0.113 0.000 1.223 73 Q HN -0.128 nan 8.270 nan 0.000 0.459 74 K N 3.198 123.257 120.400 -0.568 0.000 2.244 74 K HA 0.518 4.883 4.320 0.075 0.000 0.260 74 K C -0.261 175.980 176.600 -0.599 0.000 0.951 74 K CA -0.323 55.730 56.287 -0.389 0.000 0.826 74 K CB 1.239 33.635 32.500 -0.173 0.000 1.108 74 K HN 0.273 nan 8.250 nan 0.000 0.433 75 F N 0.345 120.323 119.950 0.045 0.000 3.084 75 F HA 0.191 4.760 4.527 0.070 0.000 0.232 75 F C 1.084 176.929 175.800 0.075 0.000 1.511 75 F CA -0.675 57.365 58.000 0.066 0.000 0.942 75 F CB -0.121 38.897 39.000 0.029 0.000 1.935 75 F HN 0.318 nan 8.300 nan 0.000 0.403 76 Q N 2.261 122.244 119.800 0.306 0.000 2.354 76 Q HA 0.209 4.594 4.340 0.075 0.000 0.244 76 Q C -1.161 174.926 176.000 0.145 0.000 0.969 76 Q CA -0.192 55.729 55.803 0.197 0.000 0.885 76 Q CB 1.001 29.846 28.738 0.177 0.000 1.241 76 Q HN 0.378 nan 8.270 nan 0.000 0.461 77 K N 1.446 121.916 120.400 0.117 0.000 2.174 77 K HA 0.349 4.714 4.320 0.075 0.000 0.275 77 K C -0.492 176.150 176.600 0.071 0.000 1.015 77 K CA -0.735 55.604 56.287 0.088 0.000 0.933 77 K CB 1.528 34.073 32.500 0.074 0.000 1.025 77 K HN 0.464 nan 8.250 nan 0.000 0.463 78 V N 3.515 123.457 119.914 0.047 0.000 2.530 78 V HA 0.009 4.174 4.120 0.075 0.000 0.282 78 V C 1.371 177.434 176.094 -0.051 0.000 1.048 78 V CA -0.032 62.267 62.300 -0.003 0.000 0.997 78 V CB 1.228 33.066 31.823 0.026 0.000 0.987 78 V HN 0.735 nan 8.190 nan 0.000 0.477 79 K N 3.562 123.906 120.400 -0.093 0.000 2.099 79 K HA 0.375 4.739 4.320 0.075 0.000 0.203 79 K C 0.668 177.106 176.600 -0.270 0.000 1.047 79 K CA 1.418 57.596 56.287 -0.183 0.000 0.963 79 K CB -0.006 32.383 32.500 -0.185 0.000 0.759 79 K HN 1.004 nan 8.250 nan 0.000 0.451 80 G N -1.969 106.607 108.800 -0.373 0.000 2.352 80 G HA2 0.260 4.265 3.960 0.075 0.000 0.283 80 G HA3 0.260 4.265 3.960 0.075 0.000 0.283 80 G C -1.539 172.886 174.900 -0.792 0.000 1.308 80 G CA -0.836 43.997 45.100 -0.445 0.000 0.892 80 G HN 0.022 nan 8.290 nan 0.000 0.504 81 F N -0.317 119.582 119.950 -0.084 0.000 2.601 81 F HA 0.840 5.412 4.527 0.074 0.000 0.309 81 F C 0.776 176.317 175.800 -0.432 0.000 1.089 81 F CA 0.481 58.373 58.000 -0.180 0.000 0.940 81 F CB 2.402 41.322 39.000 -0.133 0.000 1.273 81 F HN 1.315 nan 8.300 nan 0.000 0.450 82 G N 0.000 108.497 108.800 -0.505 0.000 2.393 82 G HA2 0.576 4.581 3.960 0.075 0.000 0.264 82 G HA3 0.576 4.581 3.960 0.075 0.000 0.264 82 G C -1.259 173.216 174.900 -0.708 0.000 1.221 82 G CA 0.014 44.454 45.100 -1.100 0.000 0.912 82 G HN 1.120 nan 8.290 nan 0.000 0.483 83 G N -1.606 107.002 108.800 -0.321 0.000 2.663 83 G HA2 0.793 4.798 3.960 0.075 0.000 0.299 83 G HA3 0.793 4.798 3.960 0.075 0.000 0.299 83 G C -1.234 173.712 174.900 0.076 0.000 1.372 83 G CA 0.493 45.555 45.100 -0.064 0.000 0.781 83 G HN 1.801 nan 8.290 nan 0.000 0.491 84 A N -0.357 122.521 122.820 0.097 0.000 2.318 84 A HA 0.652 5.017 4.320 0.075 0.000 0.324 84 A C -0.288 177.319 177.584 0.038 0.000 1.170 84 A CA -0.638 51.485 52.037 0.143 0.000 0.810 84 A CB 1.420 20.594 19.000 0.290 0.000 1.198 84 A HN 0.723 nan 8.150 nan 0.000 0.484 85 M N 3.894 123.551 119.600 0.095 0.000 3.396 85 M HA 0.210 4.735 4.480 0.075 0.000 0.255 85 M C 0.677 176.998 176.300 0.036 0.000 1.398 85 M CA -0.159 55.181 55.300 0.068 0.000 1.554 85 M CB -0.849 31.820 32.600 0.114 0.000 1.070 85 M HN 0.771 nan 8.290 nan 0.000 0.587 86 T N -1.649 112.847 114.554 -0.097 0.000 2.726 86 T HA 0.214 4.609 4.350 0.075 0.000 0.294 86 T C 0.844 175.520 174.700 -0.040 0.000 1.013 86 T CA -0.595 61.421 62.100 -0.140 0.000 0.996 86 T CB 0.624 69.259 68.868 -0.388 0.000 1.016 86 T HN 0.455 nan 8.240 nan 0.000 0.529 87 D N 0.716 121.116 120.400 0.001 0.000 2.123 87 D HA -0.068 4.617 4.640 0.075 0.000 0.196 87 D C 2.336 178.659 176.300 0.039 0.000 0.992 87 D CA 1.692 55.724 54.000 0.054 0.000 0.833 87 D CB -0.813 40.047 40.800 0.099 0.000 0.954 87 D HN 0.722 nan 8.370 nan 0.000 0.455 88 A N 0.983 123.824 122.820 0.035 0.000 1.898 88 A HA -0.010 4.355 4.320 0.075 0.000 0.216 88 A C 2.320 179.906 177.584 0.003 0.000 1.181 88 A CA 2.163 54.240 52.037 0.066 0.000 0.620 88 A CB -0.724 18.397 19.000 0.202 0.000 0.819 88 A HN 0.234 nan 8.150 nan 0.000 0.442 89 A N 0.001 122.779 122.820 -0.069 0.000 1.877 89 A HA 0.139 4.504 4.320 0.075 0.000 0.216 89 A C 2.546 180.127 177.584 -0.006 0.000 1.186 89 A CA 2.265 54.266 52.037 -0.058 0.000 0.620 89 A CB -1.179 17.762 19.000 -0.099 0.000 0.822 89 A HN 1.096 nan 8.150 nan 0.000 0.443 90 A N -0.240 122.585 122.820 0.007 0.000 1.892 90 A HA -0.129 4.235 4.320 0.075 0.000 0.218 90 A C 2.209 179.804 177.584 0.019 0.000 1.188 90 A CA 1.710 53.761 52.037 0.023 0.000 0.631 90 A CB -0.741 18.281 19.000 0.037 0.000 0.822 90 A HN 0.487 nan 8.150 nan 0.000 0.447 91 L N -0.312 120.924 121.223 0.023 0.000 2.046 91 L HA -0.224 4.161 4.340 0.075 0.000 0.208 91 L C 2.474 179.354 176.870 0.017 0.000 1.077 91 L CA 1.349 56.203 54.840 0.023 0.000 0.747 91 L CB -0.658 41.422 42.059 0.035 0.000 0.896 91 L HN 0.427 nan 8.230 nan 0.000 0.432 92 N N 0.339 119.048 118.700 0.014 0.000 2.084 92 N HA -0.160 4.625 4.740 0.075 0.000 0.190 92 N C 1.935 177.438 175.510 -0.012 0.000 1.030 92 N CA 1.544 54.597 53.050 0.005 0.000 0.849 92 N CB -0.201 38.289 38.487 0.005 0.000 1.012 92 N HN 0.332 nan 8.380 nan 0.000 0.423 93 I N 1.191 121.751 120.570 -0.017 0.000 2.208 93 I HA -0.237 3.978 4.170 0.075 0.000 0.245 93 I C 1.952 178.053 176.117 -0.026 0.000 1.097 93 I CA 0.998 62.274 61.300 -0.040 0.000 1.363 93 I CB -0.219 37.771 38.000 -0.017 0.000 1.051 93 I HN 0.045 nan 8.210 nan 0.000 0.413 94 L N 0.343 121.562 121.223 -0.006 0.000 2.478 94 L HA -0.010 4.375 4.340 0.075 0.000 0.223 94 L C 2.572 179.444 176.870 0.003 0.000 1.140 94 L CA 0.429 55.269 54.840 0.000 0.000 0.842 94 L CB -0.463 41.600 42.059 0.006 0.000 0.953 94 L HN 0.196 nan 8.230 nan 0.000 0.452 95 A N -0.129 122.693 122.820 0.004 0.000 2.119 95 A HA 0.072 4.437 4.320 0.075 0.000 0.217 95 A C 1.163 178.753 177.584 0.011 0.000 1.153 95 A CA 0.362 52.404 52.037 0.009 0.000 0.692 95 A CB -0.310 18.697 19.000 0.011 0.000 0.799 95 A HN 0.251 nan 8.150 nan 0.000 0.458 96 L N 0.804 122.031 121.223 0.007 0.000 2.453 96 L HA 0.214 4.599 4.340 0.075 0.000 0.261 96 L C 1.145 178.028 176.870 0.021 0.000 1.179 96 L CA -0.370 54.482 54.840 0.021 0.000 0.813 96 L CB 0.915 42.986 42.059 0.020 0.000 1.110 96 L HN 0.363 nan 8.230 nan 0.000 0.466 97 S N 1.046 116.765 115.700 0.031 0.000 2.572 97 S HA 0.139 4.654 4.470 0.075 0.000 0.279 97 S C -1.856 172.761 174.600 0.029 0.000 1.341 97 S CA -1.000 57.216 58.200 0.027 0.000 1.043 97 S CB 0.913 64.130 63.200 0.030 0.000 0.887 97 S HN 0.411 nan 8.310 nan 0.000 0.516 98 P HA -0.049 nan 4.420 nan 0.000 0.216 98 P C -1.550 175.769 177.300 0.030 0.000 1.153 98 P CA 1.373 64.486 63.100 0.021 0.000 0.858 98 P CB -1.124 30.587 31.700 0.017 0.000 0.789 99 P HA -0.146 nan 4.420 nan 0.000 0.215 99 P C 1.464 178.809 177.300 0.074 0.000 1.153 99 P CA 1.971 65.100 63.100 0.048 0.000 0.853 99 P CB -0.624 31.102 31.700 0.043 0.000 0.788 100 A N -0.446 122.429 122.820 0.092 0.000 1.930 100 A HA -0.242 4.122 4.320 0.075 0.000 0.217 100 A C 2.227 179.869 177.584 0.097 0.000 1.175 100 A CA 1.437 53.581 52.037 0.179 0.000 0.627 100 A CB -1.259 17.860 19.000 0.199 0.000 0.815 100 A HN 0.176 nan 8.150 nan 0.000 0.443 101 Q N -0.154 119.656 119.800 0.016 0.000 2.061 101 Q HA -0.208 4.177 4.340 0.075 0.000 0.204 101 Q C 1.836 177.817 176.000 -0.032 0.000 0.984 101 Q CA 1.595 57.370 55.803 -0.046 0.000 0.846 101 Q CB -0.287 28.443 28.738 -0.013 0.000 0.902 101 Q HN 0.627 nan 8.270 nan 0.000 0.421 102 N N 0.592 119.303 118.700 0.017 0.000 2.120 102 N HA -0.123 4.662 4.740 0.075 0.000 0.188 102 N C 1.835 177.375 175.510 0.050 0.000 1.024 102 N CA 1.038 54.111 53.050 0.037 0.000 0.852 102 N CB -0.241 38.272 38.487 0.044 0.000 1.003 102 N HN 0.230 nan 8.380 nan 0.000 0.424 103 L N 0.563 121.834 121.223 0.080 0.000 2.141 103 L HA -0.065 4.320 4.340 0.075 0.000 0.209 103 L C 2.379 179.300 176.870 0.085 0.000 1.094 103 L CA 0.532 55.455 54.840 0.139 0.000 0.763 103 L CB -0.368 41.836 42.059 0.241 0.000 0.908 103 L HN 0.149 nan 8.230 nan 0.000 0.437 104 L N -0.225 120.874 121.223 -0.207 0.000 2.005 104 L HA -0.207 4.178 4.340 0.075 0.000 0.207 104 L C 2.508 179.273 176.870 -0.175 0.000 1.072 104 L CA 1.367 55.842 54.840 -0.608 0.000 0.744 104 L CB -0.084 41.339 42.059 -1.060 0.000 0.895 104 L HN 0.164 nan 8.230 nan 0.000 0.433 105 L N -0.178 121.047 121.223 0.004 0.000 2.042 105 L HA -0.256 4.129 4.340 0.075 0.000 0.210 105 L C 2.663 179.697 176.870 0.274 0.000 1.076 105 L CA 1.524 56.512 54.840 0.247 0.000 0.749 105 L CB -0.536 41.638 42.059 0.192 0.000 0.893 105 L HN 0.261 nan 8.230 nan 0.000 0.432 106 K N -0.442 120.043 120.400 0.142 0.000 2.057 106 K HA -0.105 4.260 4.320 0.075 0.000 0.206 106 K C 2.310 178.967 176.600 0.096 0.000 1.050 106 K CA 1.373 57.740 56.287 0.133 0.000 0.935 106 K CB -0.145 32.414 32.500 0.099 0.000 0.715 106 K HN 0.121 nan 8.250 nan 0.000 0.439 107 S N 0.429 116.148 115.700 0.031 0.000 2.381 107 S HA -0.213 4.302 4.470 0.075 0.000 0.230 107 S C 1.807 176.415 174.600 0.014 0.000 1.052 107 S CA 1.574 59.770 58.200 -0.006 0.000 1.068 107 S CB -0.366 62.679 63.200 -0.260 0.000 0.918 107 S HN 0.341 nan 8.310 nan 0.000 0.448 108 Y N -1.166 119.031 120.300 -0.171 0.000 2.231 108 Y HA 0.080 4.675 4.550 0.074 0.000 0.294 108 Y C 1.710 177.169 175.900 -0.734 0.000 1.120 108 Y CA 0.739 58.397 58.100 -0.737 0.000 1.141 108 Y CB 0.010 37.793 38.460 -1.129 0.000 1.022 108 Y HN 0.208 nan 8.280 nan 0.000 0.523 109 F N -1.839 118.185 119.950 0.123 0.000 2.704 109 F HA 0.166 4.738 4.527 0.075 0.000 0.304 109 F C 1.088 176.930 175.800 0.070 0.000 1.094 109 F CA -0.194 57.873 58.000 0.111 0.000 1.275 109 F CB 0.429 39.497 39.000 0.113 0.000 1.073 109 F HN -0.253 nan 8.300 nan 0.000 0.586 110 S N 0.002 115.810 115.700 0.181 0.000 2.654 110 S HA 0.157 4.672 4.470 0.075 0.000 0.283 110 S C 1.269 175.905 174.600 0.060 0.000 1.180 110 S CA -0.573 57.701 58.200 0.123 0.000 1.021 110 S CB 0.906 64.175 63.200 0.115 0.000 1.018 110 S HN 0.080 nan 8.310 nan 0.000 0.532 111 E N 1.824 122.046 120.200 0.038 0.000 2.338 111 E HA -0.081 4.314 4.350 0.075 0.000 0.197 111 E C 1.234 177.837 176.600 0.005 0.000 1.007 111 E CA 0.858 57.249 56.400 -0.015 0.000 0.849 111 E CB -0.052 29.643 29.700 -0.008 0.000 0.774 111 E HN 0.715 nan 8.360 nan 0.000 0.506 112 E N 0.130 120.374 120.200 0.074 0.000 2.427 112 E HA 0.046 4.441 4.350 0.075 0.000 0.196 112 E C 1.306 178.063 176.600 0.262 0.000 1.028 112 E CA 0.494 56.987 56.400 0.154 0.000 0.864 112 E CB 0.324 30.096 29.700 0.120 0.000 0.813 112 E HN 0.128 nan 8.360 nan 0.000 0.514 113 G N 1.492 110.395 108.800 0.171 0.000 3.410 113 G HA2 0.305 4.310 3.960 0.075 0.000 0.189 113 G HA3 0.305 4.310 3.960 0.075 0.000 0.189 113 G C 0.766 175.698 174.900 0.052 0.000 1.404 113 G CA -0.345 44.883 45.100 0.213 0.000 0.898 113 G HN 0.197 nan 8.290 nan 0.000 0.650 114 I N -2.304 118.210 120.570 -0.094 0.000 3.974 114 I HA 0.498 4.713 4.170 0.075 0.000 0.334 114 I C 1.147 177.126 176.117 -0.230 0.000 1.437 114 I CA 0.337 61.457 61.300 -0.300 0.000 1.113 114 I CB 0.511 38.214 38.000 -0.494 0.000 1.063 114 I HN 0.754 nan 8.210 nan 0.000 0.400 115 G N 1.547 110.273 108.800 -0.122 0.000 2.305 115 G HA2 -0.325 3.680 3.960 0.075 0.000 0.287 115 G HA3 -0.325 3.680 3.960 0.075 0.000 0.287 115 G C 0.042 175.017 174.900 0.124 0.000 1.036 115 G CA -0.001 45.089 45.100 -0.017 0.000 0.887 115 G HN 0.665 nan 8.290 nan 0.000 0.505 116 Y N 0.186 120.430 120.300 -0.095 0.000 2.903 116 Y HA -0.038 4.556 4.550 0.074 0.000 0.338 116 Y C 1.707 177.684 175.900 0.128 0.000 1.265 116 Y CA 0.612 58.682 58.100 -0.050 0.000 1.532 116 Y CB 0.491 38.728 38.460 -0.372 0.000 1.293 116 Y HN 0.506 nan 8.280 nan 0.000 0.609 117 N N 3.138 121.962 118.700 0.206 0.000 2.184 117 N HA 0.177 4.962 4.740 0.075 0.000 0.234 117 N C -0.895 174.647 175.510 0.054 0.000 1.282 117 N CA 0.156 53.287 53.050 0.134 0.000 0.877 117 N CB 0.405 38.917 38.487 0.043 0.000 1.184 117 N HN 0.470 nan 8.380 nan 0.000 0.510 118 I N 1.243 121.855 120.570 0.069 0.000 2.582 118 I HA 0.474 4.689 4.170 0.075 0.000 0.292 118 I C -0.895 175.306 176.117 0.140 0.000 1.066 118 I CA -0.850 60.481 61.300 0.051 0.000 1.053 118 I CB 2.349 40.363 38.000 0.022 0.000 1.241 118 I HN -0.154 nan 8.210 nan 0.000 0.421 119 I N 5.425 126.093 120.570 0.164 0.000 2.478 119 I HA 0.419 4.634 4.170 0.075 0.000 0.287 119 I C -0.244 176.008 176.117 0.225 0.000 1.042 119 I CA -0.572 60.843 61.300 0.192 0.000 1.067 119 I CB 2.014 40.098 38.000 0.140 0.000 1.233 119 I HN 0.512 nan 8.210 nan 0.000 0.431 120 R N 5.425 126.075 120.500 0.251 0.000 2.297 120 R HA 0.657 5.042 4.340 0.075 0.000 0.308 120 R C -1.399 175.100 176.300 0.330 0.000 1.029 120 R CA -0.373 55.919 56.100 0.321 0.000 0.929 120 R CB 1.266 31.770 30.300 0.341 0.000 1.046 120 R HN 0.466 nan 8.270 nan 0.000 0.461 121 V N 7.376 127.516 119.914 0.375 0.000 2.376 121 V HA 0.329 4.494 4.120 0.075 0.000 0.287 121 V C -2.225 174.047 176.094 0.296 0.000 1.015 121 V CA -2.197 60.316 62.300 0.355 0.000 0.834 121 V CB 1.552 33.658 31.823 0.471 0.000 1.001 121 V HN 0.835 nan 8.190 nan 0.000 0.428 122 P HA 0.223 nan 4.420 nan 0.000 0.268 122 P C -0.307 177.031 177.300 0.064 0.000 1.205 122 P CA -0.013 63.203 63.100 0.195 0.000 0.771 122 P CB 0.424 32.063 31.700 -0.101 0.000 0.858 123 M N 3.046 122.603 119.600 -0.072 0.000 2.261 123 M HA 0.430 4.954 4.480 0.075 0.000 0.349 123 M C 0.672 176.810 176.300 -0.270 0.000 1.305 123 M CA 0.208 55.332 55.300 -0.293 0.000 1.240 123 M CB -0.502 31.749 32.600 -0.581 0.000 1.394 123 M HN 0.602 nan 8.290 nan 0.000 0.438 124 A N 1.712 124.306 122.820 -0.378 0.000 5.805 124 A HA -0.169 4.196 4.320 0.075 0.000 0.256 124 A C 0.267 177.545 177.584 -0.511 0.000 2.214 124 A CA 0.412 52.084 52.037 -0.607 0.000 0.709 124 A CB -1.741 16.663 19.000 -0.992 0.000 1.038 124 A HN 0.886 nan 8.150 nan 0.000 0.350 125 S N -0.079 115.076 115.700 -0.908 0.000 2.584 125 S HA 0.621 5.136 4.470 0.075 0.000 0.273 125 S C 0.473 174.824 174.600 -0.415 0.000 1.311 125 S CA 0.197 57.935 58.200 -0.771 0.000 1.034 125 S CB 0.614 63.164 63.200 -1.083 0.000 0.939 125 S HN 2.479 nan 8.310 nan 0.000 0.513 126 C N 0.908 119.977 119.300 -0.384 0.000 3.277 126 C HA 0.655 5.160 4.460 0.075 0.000 0.367 126 C C 1.499 176.456 174.990 -0.054 0.000 1.949 126 C CA -0.004 58.759 59.018 -0.424 0.000 1.428 126 C CB 0.578 27.486 27.740 -1.387 0.000 2.409 126 C HN 0.880 nan 8.230 nan 0.000 0.460 127 D N 0.641 120.907 120.400 -0.223 0.000 2.178 127 D HA -0.153 4.532 4.640 0.075 0.000 0.201 127 D C 0.723 176.763 176.300 -0.433 0.000 0.980 127 D CA 1.273 54.960 54.000 -0.522 0.000 0.842 127 D CB -0.524 39.371 40.800 -1.508 0.000 0.948 127 D HN 0.607 nan 8.370 nan 0.000 0.472 128 F N 1.197 121.043 119.950 -0.174 0.000 2.833 128 F HA 0.276 4.848 4.527 0.075 0.000 0.327 128 F C 0.341 176.078 175.800 -0.105 0.000 1.184 128 F CA -0.055 57.845 58.000 -0.167 0.000 1.328 128 F CB 0.065 38.854 39.000 -0.352 0.000 1.440 128 F HN -0.251 nan 8.300 nan 0.000 0.569 129 S N 0.333 116.071 115.700 0.064 0.000 2.569 129 S HA 0.444 4.959 4.470 0.075 0.000 0.280 129 S C 0.833 175.510 174.600 0.128 0.000 1.111 129 S CA -0.732 57.519 58.200 0.084 0.000 0.887 129 S CB 1.824 65.023 63.200 -0.002 0.000 1.095 129 S HN 0.394 nan 8.310 nan 0.000 0.476 130 I N -1.147 119.486 120.570 0.104 0.000 3.860 130 I HA 0.445 4.660 4.170 0.075 0.000 0.319 130 I C 0.604 176.740 176.117 0.032 0.000 1.279 130 I CA 0.209 61.570 61.300 0.101 0.000 1.220 130 I CB 0.145 38.198 38.000 0.087 0.000 1.027 130 I HN 0.284 nan 8.210 nan 0.000 0.428 131 R N 1.824 122.324 120.500 0.001 0.000 2.750 131 R HA 0.449 4.834 4.340 0.075 0.000 0.281 131 R C -0.708 175.508 176.300 -0.140 0.000 0.972 131 R CA -0.358 55.722 56.100 -0.033 0.000 0.912 131 R CB 1.785 32.131 30.300 0.077 0.000 1.187 131 R HN 0.258 nan 8.270 nan 0.000 0.464 132 T N 1.325 115.689 114.554 -0.316 0.000 2.749 132 T HA 0.552 4.946 4.350 0.075 0.000 0.287 132 T C -0.839 173.773 174.700 -0.146 0.000 0.970 132 T CA -0.455 61.359 62.100 -0.476 0.000 0.980 132 T CB 0.604 68.969 68.868 -0.838 0.000 0.924 132 T HN 0.561 nan 8.240 nan 0.000 0.456 133 Y N -0.283 119.886 120.300 -0.218 0.000 2.604 133 Y HA 0.719 5.314 4.550 0.075 0.000 0.331 133 Y C -0.349 175.464 175.900 -0.146 0.000 1.158 133 Y CA -1.102 56.915 58.100 -0.139 0.000 1.056 133 Y CB 0.804 39.204 38.460 -0.101 0.000 1.330 133 Y HN 0.855 nan 8.280 nan 0.000 0.457 134 T N -2.364 112.186 114.554 -0.007 0.000 2.841 134 T HA 0.425 4.820 4.350 0.075 0.000 0.276 134 T C -0.308 174.462 174.700 0.116 0.000 1.003 134 T CA -0.629 61.439 62.100 -0.053 0.000 0.995 134 T CB 0.946 69.825 68.868 0.019 0.000 1.260 134 T HN 0.779 nan 8.240 nan 0.000 0.581 135 Y N -0.257 120.141 120.300 0.162 0.000 2.490 135 Y HA 0.499 5.094 4.550 0.075 0.000 0.281 135 Y C 1.561 177.306 175.900 -0.257 0.000 1.174 135 Y CA -0.376 57.544 58.100 -0.300 0.000 1.295 135 Y CB 0.439 38.248 38.460 -1.084 0.000 1.062 135 Y HN 0.755 nan 8.280 nan 0.000 0.522 136 A N -0.258 122.750 122.820 0.313 0.000 3.410 136 A HA 0.246 4.611 4.320 0.075 0.000 0.276 136 A C -0.191 177.707 177.584 0.524 0.000 0.995 136 A CA -0.447 51.855 52.037 0.441 0.000 0.934 136 A CB -0.196 19.230 19.000 0.711 0.000 1.191 136 A HN 0.121 nan 8.150 nan 0.000 0.511 137 D N 0.436 121.044 120.400 0.348 0.000 2.317 137 D HA -0.009 4.676 4.640 0.075 0.000 0.211 137 D C 0.420 176.896 176.300 0.293 0.000 0.966 137 D CA 1.008 55.211 54.000 0.338 0.000 0.876 137 D CB 0.221 41.133 40.800 0.187 0.000 0.927 137 D HN 0.409 nan 8.370 nan 0.000 0.519 138 T N 3.578 118.240 114.554 0.180 0.000 2.829 138 T HA 0.130 4.525 4.350 0.075 0.000 0.293 138 T C -2.376 172.093 174.700 -0.384 0.000 0.970 138 T CA -1.021 61.059 62.100 -0.034 0.000 1.168 138 T CB 1.118 69.969 68.868 -0.028 0.000 0.911 138 T HN -0.039 nan 8.240 nan 0.000 0.535 139 P HA 0.116 nan 4.420 nan 0.000 0.266 139 P C 0.151 176.701 177.300 -1.251 0.000 1.195 139 P CA 0.099 62.600 63.100 -0.999 0.000 0.768 139 P CB 0.279 31.762 31.700 -0.362 0.000 0.838 140 D N -0.394 118.860 120.400 -1.910 0.000 2.945 140 D HA -0.196 4.489 4.640 0.075 0.000 0.225 140 D C -0.066 175.551 176.300 -1.138 0.000 1.158 140 D CA 1.075 54.298 54.000 -1.295 0.000 0.805 140 D CB -1.790 38.791 40.800 -0.365 0.000 1.098 140 D HN 0.471 nan 8.370 nan 0.000 0.426 141 D N -0.638 118.881 120.400 -1.469 0.000 2.845 141 D HA 0.132 4.817 4.640 0.075 0.000 0.235 141 D C 1.055 177.264 176.300 -0.152 0.000 1.158 141 D CA -0.353 53.330 54.000 -0.529 0.000 0.990 141 D CB -0.772 39.876 40.800 -0.253 0.000 1.094 141 D HN 0.126 nan 8.370 nan 0.000 0.486 142 F N 0.229 120.205 119.950 0.042 0.000 2.202 142 F HA -0.138 4.434 4.527 0.075 0.000 0.301 142 F C 2.290 178.171 175.800 0.135 0.000 1.082 142 F CA 0.771 58.901 58.000 0.216 0.000 1.313 142 F CB 0.085 39.160 39.000 0.124 0.000 1.024 142 F HN 0.243 nan 8.300 nan 0.000 0.495 143 Q N -0.087 119.775 119.800 0.103 0.000 2.403 143 Q HA 0.144 4.529 4.340 0.075 0.000 0.203 143 Q C 1.007 176.970 176.000 -0.062 0.000 0.932 143 Q CA 0.248 56.008 55.803 -0.072 0.000 0.945 143 Q CB 0.025 28.555 28.738 -0.348 0.000 1.045 143 Q HN 0.507 nan 8.270 nan 0.000 0.511 144 L N 0.924 122.192 121.223 0.075 0.000 3.717 144 L HA -0.270 4.115 4.340 0.075 0.000 0.411 144 L C 0.722 177.751 176.870 0.265 0.000 1.233 144 L CA -0.116 54.876 54.840 0.254 0.000 0.917 144 L CB -1.672 40.576 42.059 0.315 0.000 1.902 144 L HN 0.303 nan 8.230 nan 0.000 0.894 145 H N 0.013 119.192 119.070 0.182 0.000 2.421 145 H HA 0.003 4.604 4.556 0.075 0.000 0.298 145 H C 1.750 177.169 175.328 0.152 0.000 1.087 145 H CA 1.792 57.923 56.048 0.138 0.000 1.330 145 H CB 0.073 29.891 29.762 0.094 0.000 1.388 145 H HN 0.537 nan 8.280 nan 0.000 0.526 146 N N 0.095 118.966 118.700 0.286 0.000 2.235 146 N HA -0.041 4.744 4.740 0.075 0.000 0.209 146 N C -0.092 175.566 175.510 0.247 0.000 1.122 146 N CA -0.184 52.998 53.050 0.219 0.000 0.845 146 N CB -0.016 38.562 38.487 0.152 0.000 1.004 146 N HN 0.137 nan 8.380 nan 0.000 0.499 147 F N 3.050 123.099 119.950 0.165 0.000 2.578 147 F HA 0.044 4.615 4.527 0.075 0.000 0.381 147 F C 0.593 176.446 175.800 0.087 0.000 1.069 147 F CA -0.038 58.044 58.000 0.136 0.000 1.231 147 F CB 0.432 39.481 39.000 0.081 0.000 1.086 147 F HN -0.047 nan 8.300 nan 0.000 0.564 148 S N 5.926 121.463 115.700 -0.273 0.000 2.547 148 S HA 0.538 5.053 4.470 0.075 0.000 0.270 148 S C -1.234 173.183 174.600 -0.305 0.000 1.150 148 S CA -1.279 56.845 58.200 -0.126 0.000 0.850 148 S CB 1.025 64.230 63.200 0.008 0.000 1.118 148 S HN 0.692 nan 8.310 nan 0.000 0.461 149 L N 2.680 123.770 121.223 -0.222 0.000 2.360 149 L HA 0.437 4.822 4.340 0.075 0.000 0.276 149 L C -1.644 175.190 176.870 -0.060 0.000 1.121 149 L CA -1.385 53.334 54.840 -0.202 0.000 0.845 149 L CB 0.051 41.977 42.059 -0.221 0.000 1.143 149 L HN 0.591 nan 8.230 nan 0.000 0.452 150 P HA 0.182 nan 4.420 nan 0.000 0.306 150 P C 0.078 177.327 177.300 -0.086 0.000 1.309 150 P CA -0.517 62.535 63.100 -0.079 0.000 0.759 150 P CB 0.890 32.468 31.700 -0.202 0.000 1.314 151 E N -0.461 119.674 120.200 -0.107 0.000 2.265 151 E HA -0.182 4.213 4.350 0.075 0.000 0.196 151 E C 1.593 178.153 176.600 -0.066 0.000 0.996 151 E CA 1.050 57.403 56.400 -0.078 0.000 0.832 151 E CB -0.118 29.541 29.700 -0.069 0.000 0.756 151 E HN 0.451 nan 8.360 nan 0.000 0.491 152 E N 0.884 121.029 120.200 -0.092 0.000 2.118 152 E HA -0.195 4.200 4.350 0.075 0.000 0.195 152 E C 1.266 177.905 176.600 0.065 0.000 0.992 152 E CA 1.652 58.045 56.400 -0.013 0.000 0.804 152 E CB 0.002 29.695 29.700 -0.013 0.000 0.741 152 E HN 0.313 nan 8.360 nan 0.000 0.458 153 D N -1.283 119.162 120.400 0.074 0.000 2.146 153 D HA -0.084 4.601 4.640 0.075 0.000 0.209 153 D C 2.013 178.235 176.300 -0.129 0.000 0.973 153 D CA 1.822 55.851 54.000 0.047 0.000 0.860 153 D CB -0.257 40.600 40.800 0.095 0.000 1.015 153 D HN 0.240 nan 8.370 nan 0.000 0.465 154 T N -1.072 113.385 114.554 -0.162 0.000 2.904 154 T HA -0.029 4.366 4.350 0.075 0.000 0.267 154 T C 1.593 176.248 174.700 -0.074 0.000 1.059 154 T CA 0.803 62.791 62.100 -0.187 0.000 1.137 154 T CB -0.037 68.774 68.868 -0.094 0.000 0.879 154 T HN 0.004 nan 8.240 nan 0.000 0.467 155 K N 0.054 120.428 120.400 -0.045 0.000 2.348 155 K HA 0.379 4.744 4.320 0.075 0.000 0.194 155 K C 1.859 178.453 176.600 -0.010 0.000 1.052 155 K CA 0.111 56.386 56.287 -0.020 0.000 1.004 155 K CB 0.319 32.808 32.500 -0.019 0.000 0.873 155 K HN 0.333 nan 8.250 nan 0.000 0.523 156 L N 0.312 121.531 121.223 -0.007 0.000 2.630 156 L HA 0.093 4.478 4.340 0.075 0.000 0.180 156 L C 2.011 178.896 176.870 0.025 0.000 1.221 156 L CA 0.368 55.216 54.840 0.012 0.000 0.853 156 L CB -0.444 41.628 42.059 0.021 0.000 1.172 156 L HN -0.084 nan 8.230 nan 0.000 0.508 157 K N 0.684 121.113 120.400 0.049 0.000 2.025 157 K HA -0.080 4.285 4.320 0.075 0.000 0.207 157 K C 2.014 178.641 176.600 0.044 0.000 1.049 157 K CA 1.375 57.712 56.287 0.083 0.000 0.933 157 K CB -0.140 32.470 32.500 0.184 0.000 0.714 157 K HN 0.149 nan 8.250 nan 0.000 0.438 158 I N 0.945 121.499 120.570 -0.026 0.000 2.142 158 I HA -0.208 4.007 4.170 0.075 0.000 0.240 158 I C -1.005 175.129 176.117 0.028 0.000 1.078 158 I CA 1.219 62.460 61.300 -0.100 0.000 1.343 158 I CB -0.801 37.002 38.000 -0.329 0.000 1.046 158 I HN 0.083 nan 8.210 nan 0.000 0.405 159 P HA -0.145 nan 4.420 nan 0.000 0.218 159 P C 1.879 179.213 177.300 0.057 0.000 1.149 159 P CA 1.365 64.516 63.100 0.085 0.000 0.817 159 P CB 0.038 31.760 31.700 0.036 0.000 0.785 160 L N -1.448 119.786 121.223 0.020 0.000 2.056 160 L HA -0.143 4.241 4.340 0.075 0.000 0.207 160 L C 2.375 179.207 176.870 -0.063 0.000 1.078 160 L CA 1.313 56.150 54.840 -0.005 0.000 0.749 160 L CB -0.712 41.352 42.059 0.008 0.000 0.901 160 L HN -0.070 nan 8.230 nan 0.000 0.433 161 I N -1.191 119.331 120.570 -0.080 0.000 2.179 161 I HA -0.327 3.888 4.170 0.075 0.000 0.242 161 I C 2.638 178.627 176.117 -0.213 0.000 1.088 161 I CA 1.064 62.256 61.300 -0.180 0.000 1.357 161 I CB -0.577 37.332 38.000 -0.153 0.000 1.051 161 I HN 0.311 nan 8.210 nan 0.000 0.409 162 H N 1.167 120.181 119.070 -0.093 0.000 2.319 162 H HA -0.168 4.433 4.556 0.075 0.000 0.297 162 H C 2.512 177.787 175.328 -0.089 0.000 1.097 162 H CA 1.687 57.687 56.048 -0.081 0.000 1.285 162 H CB -0.245 29.485 29.762 -0.053 0.000 1.368 162 H HN 0.327 nan 8.280 nan 0.000 0.495 163 R N 0.222 120.743 120.500 0.036 0.000 2.096 163 R HA -0.061 4.324 4.340 0.075 0.000 0.235 163 R C 2.619 178.874 176.300 -0.075 0.000 1.127 163 R CA 1.029 57.124 56.100 -0.008 0.000 0.968 163 R CB -0.221 30.080 30.300 0.002 0.000 0.861 163 R HN 0.234 nan 8.270 nan 0.000 0.440 164 A N 1.337 124.022 122.820 -0.225 0.000 1.877 164 A HA -0.142 4.222 4.320 0.075 0.000 0.216 164 A C 2.178 179.582 177.584 -0.301 0.000 1.186 164 A CA 1.213 52.952 52.037 -0.496 0.000 0.620 164 A CB -0.605 17.614 19.000 -1.302 0.000 0.822 164 A HN 0.182 nan 8.150 nan 0.000 0.443 165 L N -0.834 120.254 121.223 -0.224 0.000 2.042 165 L HA -0.238 4.147 4.340 0.075 0.000 0.210 165 L C 2.899 179.756 176.870 -0.023 0.000 1.076 165 L CA 1.283 56.062 54.840 -0.102 0.000 0.749 165 L CB -0.591 41.418 42.059 -0.083 0.000 0.893 165 L HN 0.416 nan 8.230 nan 0.000 0.432 166 Q N -0.055 119.742 119.800 -0.005 0.000 2.124 166 Q HA -0.134 4.250 4.340 0.075 0.000 0.202 166 Q C 2.345 178.364 176.000 0.032 0.000 0.977 166 Q CA 1.405 57.220 55.803 0.020 0.000 0.850 166 Q CB -0.177 28.575 28.738 0.023 0.000 0.901 166 Q HN 0.552 nan 8.270 nan 0.000 0.429 167 L N 0.096 121.344 121.223 0.042 0.000 2.156 167 L HA 0.017 4.402 4.340 0.075 0.000 0.208 167 L C 1.078 178.010 176.870 0.103 0.000 1.095 167 L CA 0.152 55.042 54.840 0.083 0.000 0.770 167 L CB -0.325 41.812 42.059 0.129 0.000 0.914 167 L HN -0.053 nan 8.230 nan 0.000 0.439 168 A N -0.268 122.616 122.820 0.106 0.000 2.440 168 A HA 0.114 4.479 4.320 0.075 0.000 0.251 168 A C 0.806 178.434 177.584 0.073 0.000 1.089 168 A CA -0.279 51.833 52.037 0.125 0.000 0.779 168 A CB 0.548 19.631 19.000 0.140 0.000 1.022 168 A HN 0.194 nan 8.150 nan 0.000 0.492 169 Q N 1.063 120.901 119.800 0.065 0.000 2.376 169 Q HA 0.040 4.425 4.340 0.075 0.000 0.206 169 Q C 0.299 176.318 176.000 0.032 0.000 0.921 169 Q CA 0.806 56.634 55.803 0.041 0.000 0.911 169 Q CB 0.132 28.890 28.738 0.033 0.000 1.032 169 Q HN 0.765 nan 8.270 nan 0.000 0.510 170 R N 1.706 122.229 120.500 0.039 0.000 2.441 170 R HA 0.265 4.650 4.340 0.075 0.000 0.284 170 R C -2.227 174.087 176.300 0.023 0.000 1.070 170 R CA -1.698 54.417 56.100 0.025 0.000 1.047 170 R CB -0.166 30.152 30.300 0.030 0.000 1.016 170 R HN -0.066 nan 8.270 nan 0.000 0.477 171 P HA 0.004 nan 4.420 nan 0.000 0.268 171 P C -0.765 176.525 177.300 -0.017 0.000 1.204 171 P CA -0.070 63.024 63.100 -0.011 0.000 0.768 171 P CB 0.598 32.284 31.700 -0.024 0.000 0.842 172 V N 3.243 123.146 119.914 -0.017 0.000 2.427 172 V HA 0.272 4.437 4.120 0.075 0.000 0.286 172 V C 0.368 176.431 176.094 -0.053 0.000 1.034 172 V CA -0.164 62.127 62.300 -0.014 0.000 0.893 172 V CB 1.533 33.355 31.823 -0.001 0.000 0.982 172 V HN 0.465 nan 8.190 nan 0.000 0.452 173 S N 5.749 121.404 115.700 -0.075 0.000 2.429 173 S HA 0.643 5.158 4.470 0.075 0.000 0.302 173 S C -0.357 174.278 174.600 0.059 0.000 1.115 173 S CA -0.493 57.675 58.200 -0.053 0.000 1.095 173 S CB 0.696 63.688 63.200 -0.346 0.000 0.987 173 S HN 0.494 nan 8.310 nan 0.000 0.474 174 L N 3.560 124.814 121.223 0.052 0.000 2.334 174 L HA 0.610 4.995 4.340 0.075 0.000 0.277 174 L C -0.592 176.511 176.870 0.389 0.000 1.075 174 L CA -0.894 53.955 54.840 0.015 0.000 0.804 174 L CB 0.703 42.378 42.059 -0.641 0.000 1.174 174 L HN 0.395 nan 8.230 nan 0.000 0.438 175 L N 2.982 124.498 121.223 0.488 0.000 2.381 175 L HA 0.796 5.181 4.340 0.075 0.000 0.274 175 L C -0.453 176.691 176.870 0.457 0.000 0.988 175 L CA -0.213 54.907 54.840 0.466 0.000 0.824 175 L CB 1.528 43.825 42.059 0.396 0.000 1.263 175 L HN 0.679 nan 8.230 nan 0.000 0.410 176 A N 3.261 126.230 122.820 0.249 0.000 2.324 176 A HA 0.907 5.272 4.320 0.075 0.000 0.330 176 A C -0.705 176.864 177.584 -0.026 0.000 1.165 176 A CA -0.431 51.603 52.037 -0.005 0.000 0.813 176 A CB 1.029 19.705 19.000 -0.540 0.000 1.197 176 A HN 0.707 nan 8.150 nan 0.000 0.484 177 S N 3.132 118.853 115.700 0.035 0.000 2.614 177 S HA 0.694 5.209 4.470 0.075 0.000 0.288 177 S C -3.039 171.638 174.600 0.129 0.000 1.137 177 S CA -0.920 57.313 58.200 0.054 0.000 0.992 177 S CB 2.182 65.434 63.200 0.086 0.000 1.026 177 S HN 0.657 nan 8.310 nan 0.000 0.486 178 P HA 0.293 nan 4.420 nan 0.000 0.290 178 P C 0.037 177.505 177.300 0.280 0.000 1.275 178 P CA -0.689 62.505 63.100 0.157 0.000 0.841 178 P CB 1.224 32.953 31.700 0.048 0.000 1.042 179 W N 0.558 121.872 121.300 0.023 0.000 2.678 179 W HA 0.047 4.752 4.660 0.075 0.000 0.282 179 W C 0.757 177.261 176.519 -0.025 0.000 1.137 179 W CA 0.605 57.981 57.345 0.053 0.000 1.515 179 W CB 0.322 29.863 29.460 0.135 0.000 1.101 179 W HN 0.247 nan 8.180 nan 0.000 0.564 180 T N 0.140 114.772 114.554 0.129 0.000 2.906 180 T HA 0.320 4.715 4.350 0.075 0.000 0.295 180 T C -0.091 174.386 174.700 -0.371 0.000 1.061 180 T CA -0.449 61.563 62.100 -0.147 0.000 1.000 180 T CB 1.511 70.305 68.868 -0.122 0.000 1.103 180 T HN -0.045 nan 8.240 nan 0.000 0.486 181 S N 4.008 119.181 115.700 -0.877 0.000 2.624 181 S HA 0.581 5.095 4.470 0.075 0.000 0.263 181 S C -2.638 171.535 174.600 -0.712 0.000 1.287 181 S CA -1.077 56.351 58.200 -1.287 0.000 0.990 181 S CB 0.061 62.088 63.200 -1.955 0.000 0.950 181 S HN 0.557 nan 8.310 nan 0.000 0.561 182 P HA 0.007 nan 4.420 nan 0.000 0.264 182 P C 1.191 178.096 177.300 -0.659 0.000 1.173 182 P CA 0.349 63.094 63.100 -0.592 0.000 0.761 182 P CB 0.168 31.284 31.700 -0.974 0.000 0.794 183 T N -1.037 113.304 114.554 -0.355 0.000 2.962 183 T HA -0.129 4.266 4.350 0.075 0.000 0.270 183 T C 1.301 175.898 174.700 -0.171 0.000 1.088 183 T CA 0.604 62.567 62.100 -0.228 0.000 1.127 183 T CB -0.726 68.093 68.868 -0.081 0.000 0.883 183 T HN 0.589 nan 8.240 nan 0.000 0.493 184 W N 1.052 122.286 121.300 -0.109 0.000 3.077 184 W HA 0.329 5.034 4.660 0.075 0.000 0.245 184 W C 0.739 177.218 176.519 -0.067 0.000 1.316 184 W CA -0.429 56.868 57.345 -0.081 0.000 1.537 184 W CB -0.796 28.618 29.460 -0.078 0.000 1.131 184 W HN 0.261 nan 8.180 nan 0.000 0.695 185 L N 0.776 121.728 121.223 -0.452 0.000 2.607 185 L HA 0.206 4.591 4.340 0.075 0.000 0.228 185 L C 0.627 177.234 176.870 -0.437 0.000 1.123 185 L CA 0.560 55.169 54.840 -0.386 0.000 0.890 185 L CB -0.178 41.508 42.059 -0.621 0.000 1.103 185 L HN -0.273 nan 8.230 nan 0.000 0.468 186 K N -0.386 119.783 120.400 -0.385 0.000 2.221 186 K HA 0.224 4.589 4.320 0.075 0.000 0.258 186 K C 1.190 177.623 176.600 -0.278 0.000 0.944 186 K CA -0.046 56.015 56.287 -0.377 0.000 0.823 186 K CB 1.895 34.181 32.500 -0.357 0.000 1.113 186 K HN -0.067 nan 8.250 nan 0.000 0.431 187 T N -1.190 113.198 114.554 -0.277 0.000 2.778 187 T HA -0.206 4.189 4.350 0.075 0.000 0.269 187 T C 1.197 175.812 174.700 -0.142 0.000 1.050 187 T CA 1.748 63.727 62.100 -0.202 0.000 1.137 187 T CB -0.240 68.517 68.868 -0.184 0.000 0.860 187 T HN 0.687 nan 8.240 nan 0.000 0.468 188 N N 1.172 119.787 118.700 -0.142 0.000 2.236 188 N HA 0.179 4.964 4.740 0.075 0.000 0.196 188 N C 1.519 176.981 175.510 -0.079 0.000 1.114 188 N CA 0.625 53.616 53.050 -0.098 0.000 0.859 188 N CB -0.398 38.033 38.487 -0.094 0.000 0.982 188 N HN 0.662 nan 8.380 nan 0.000 0.493 189 G N -0.110 108.633 108.800 -0.094 0.000 2.225 189 G HA2 -0.058 3.947 3.960 0.075 0.000 0.267 189 G HA3 -0.058 3.947 3.960 0.075 0.000 0.267 189 G C 0.040 174.909 174.900 -0.052 0.000 1.024 189 G CA 0.543 45.607 45.100 -0.059 0.000 0.784 189 G HN 0.911 nan 8.290 nan 0.000 0.507 190 A N -1.778 120.996 122.820 -0.076 0.000 2.587 190 A HA 0.881 5.246 4.320 0.075 0.000 0.293 190 A C 1.134 178.675 177.584 -0.071 0.000 1.087 190 A CA 0.311 52.318 52.037 -0.051 0.000 0.692 190 A CB 1.076 20.064 19.000 -0.021 0.000 1.291 190 A HN 1.501 nan 8.150 nan 0.000 0.407 191 V N -0.976 118.916 119.914 -0.037 0.000 2.719 191 V HA 0.087 4.252 4.120 0.075 0.000 0.252 191 V C 0.606 176.722 176.094 0.036 0.000 1.065 191 V CA 1.708 63.988 62.300 -0.034 0.000 1.086 191 V CB -1.486 30.320 31.823 -0.029 0.000 0.700 191 V HN 0.935 nan 8.190 nan 0.000 0.467 192 N N 0.242 118.988 118.700 0.077 0.000 3.002 192 N HA 0.685 5.470 4.740 0.075 0.000 0.331 192 N C 0.347 175.877 175.510 0.033 0.000 1.384 192 N CA 0.149 53.259 53.050 0.100 0.000 0.780 192 N CB 0.766 39.357 38.487 0.174 0.000 1.492 192 N HN 0.898 nan 8.380 nan 0.000 0.608 193 G N -0.624 108.202 108.800 0.044 0.000 2.828 193 G HA2 -0.193 3.812 3.960 0.075 0.000 0.463 193 G HA3 -0.193 3.812 3.960 0.075 0.000 0.463 193 G C -0.910 173.978 174.900 -0.021 0.000 1.394 193 G CA -0.198 44.910 45.100 0.013 0.000 0.862 193 G HN 0.899 nan 8.290 nan 0.000 0.540 194 K N 0.455 120.834 120.400 -0.036 0.000 2.383 194 K HA 0.553 4.918 4.320 0.075 0.000 0.286 194 K C 0.508 177.046 176.600 -0.104 0.000 1.051 194 K CA 0.488 56.733 56.287 -0.071 0.000 0.974 194 K CB -0.005 32.463 32.500 -0.054 0.000 0.968 194 K HN 1.893 nan 8.250 nan 0.000 0.475 195 G N 1.837 110.547 108.800 -0.150 0.000 2.443 195 G HA2 0.241 4.246 3.960 0.075 0.000 0.303 195 G HA3 0.241 4.246 3.960 0.075 0.000 0.303 195 G C -1.317 173.415 174.900 -0.281 0.000 1.613 195 G CA -0.545 44.440 45.100 -0.192 0.000 0.879 195 G HN 0.662 nan 8.290 nan 0.000 0.632 196 S N 0.484 115.996 115.700 -0.312 0.000 2.806 196 S HA 0.828 5.343 4.470 0.075 0.000 0.315 196 S C 0.107 174.413 174.600 -0.490 0.000 1.127 196 S CA -0.978 56.948 58.200 -0.457 0.000 0.918 196 S CB 1.105 64.111 63.200 -0.324 0.000 1.240 196 S HN 0.764 nan 8.310 nan 0.000 0.552 197 L N 1.450 122.297 121.223 -0.625 0.000 2.485 197 L HA 0.257 4.642 4.340 0.075 0.000 0.275 197 L C 0.706 177.345 176.870 -0.385 0.000 1.207 197 L CA -0.221 54.258 54.840 -0.602 0.000 0.855 197 L CB 0.192 41.746 42.059 -0.841 0.000 1.114 197 L HN 0.675 nan 8.230 nan 0.000 0.485 198 K N 1.637 121.736 120.400 -0.502 0.000 2.276 198 K HA 0.359 4.724 4.320 0.075 0.000 0.259 198 K C 0.760 177.216 176.600 -0.240 0.000 1.001 198 K CA 0.578 56.540 56.287 -0.543 0.000 0.927 198 K CB 0.433 32.249 32.500 -1.140 0.000 0.969 198 K HN 0.822 nan 8.250 nan 0.000 0.490 199 G N 0.622 109.381 108.800 -0.068 0.000 2.539 199 G HA2 -0.230 3.775 3.960 0.075 0.000 0.256 199 G HA3 -0.230 3.775 3.960 0.075 0.000 0.256 199 G C -1.052 173.940 174.900 0.153 0.000 1.233 199 G CA -0.422 44.783 45.100 0.174 0.000 0.936 199 G HN 0.468 nan 8.290 nan 0.000 0.571 200 Q N 0.023 119.878 119.800 0.092 0.000 2.416 200 Q HA 0.542 4.927 4.340 0.075 0.000 0.281 200 Q C -2.685 172.907 176.000 -0.680 0.000 1.067 200 Q CA -1.611 54.045 55.803 -0.246 0.000 0.809 200 Q CB 1.744 30.387 28.738 -0.159 0.000 1.418 200 Q HN 0.387 nan 8.270 nan 0.000 0.411 201 P HA 0.001 nan 4.420 nan 0.000 0.264 201 P C 0.710 177.911 177.300 -0.165 0.000 1.179 201 P CA 1.718 64.501 63.100 -0.528 0.000 0.763 201 P CB 0.324 31.983 31.700 -0.069 0.000 0.806 202 G N 1.037 109.842 108.800 0.008 0.000 2.195 202 G HA2 -0.191 3.814 3.960 0.075 0.000 0.246 202 G HA3 -0.191 3.814 3.960 0.075 0.000 0.246 202 G C 0.094 175.036 174.900 0.071 0.000 0.984 202 G CA 0.364 45.489 45.100 0.041 0.000 0.633 202 G HN 0.731 nan 8.290 nan 0.000 0.525 203 D N -0.303 120.167 120.400 0.117 0.000 2.529 203 D HA 0.510 5.195 4.640 0.075 0.000 0.273 203 D C 1.734 178.125 176.300 0.152 0.000 1.197 203 D CA -0.559 53.518 54.000 0.127 0.000 1.070 203 D CB 0.333 41.223 40.800 0.151 0.000 1.134 203 D HN 0.200 nan 8.370 nan 0.000 0.590 204 I N -0.635 119.921 120.570 -0.023 0.000 2.264 204 I HA -0.309 3.906 4.170 0.075 0.000 0.248 204 I C 1.591 177.755 176.117 0.079 0.000 1.111 204 I CA 1.220 62.452 61.300 -0.113 0.000 1.382 204 I CB -0.073 37.646 38.000 -0.469 0.000 1.060 204 I HN 0.349 nan 8.210 nan 0.000 0.418 205 Y N 0.065 120.537 120.300 0.287 0.000 2.145 205 Y HA -0.298 4.297 4.550 0.075 0.000 0.286 205 Y C 2.596 178.646 175.900 0.250 0.000 1.145 205 Y CA 1.977 60.264 58.100 0.312 0.000 1.148 205 Y CB -0.825 37.736 38.460 0.168 0.000 0.981 205 Y HN 0.253 nan 8.280 nan 0.000 0.507 206 H N -0.343 118.981 119.070 0.422 0.000 2.353 206 H HA -0.144 4.457 4.556 0.075 0.000 0.300 206 H C 2.076 177.693 175.328 0.482 0.000 1.090 206 H CA 1.669 57.994 56.048 0.461 0.000 1.327 206 H CB -0.200 29.835 29.762 0.455 0.000 1.383 206 H HN 0.342 nan 8.280 nan 0.000 0.508 207 Q N -0.196 119.868 119.800 0.440 0.000 2.119 207 Q HA -0.101 4.284 4.340 0.075 0.000 0.201 207 Q C 2.095 178.297 176.000 0.337 0.000 0.972 207 Q CA 1.662 57.651 55.803 0.311 0.000 0.847 207 Q CB -0.364 28.492 28.738 0.196 0.000 0.903 207 Q HN 0.477 nan 8.270 nan 0.000 0.433 208 T N 0.884 115.678 114.554 0.400 0.000 2.746 208 T HA -0.157 4.238 4.350 0.075 0.000 0.267 208 T C 1.196 176.191 174.700 0.492 0.000 1.039 208 T CA 0.899 63.264 62.100 0.443 0.000 1.142 208 T CB -0.354 68.852 68.868 0.563 0.000 0.866 208 T HN 0.498 nan 8.240 nan 0.000 0.444 209 W N 1.700 123.158 121.300 0.263 0.000 2.381 209 W HA -0.120 4.585 4.660 0.075 0.000 0.301 209 W C 2.537 179.364 176.519 0.512 0.000 1.205 209 W CA 0.870 58.363 57.345 0.246 0.000 1.285 209 W CB -0.255 29.228 29.460 0.038 0.000 1.133 209 W HN 0.290 nan 8.180 nan 0.000 0.521 210 A N 1.049 124.136 122.820 0.445 0.000 1.908 210 A HA -0.229 4.136 4.320 0.075 0.000 0.218 210 A C 1.932 179.605 177.584 0.147 0.000 1.181 210 A CA 2.240 54.371 52.037 0.158 0.000 0.627 210 A CB -1.165 17.858 19.000 0.040 0.000 0.818 210 A HN 0.230 nan 8.150 nan 0.000 0.445 211 R N -2.368 118.253 120.500 0.201 0.000 2.148 211 R HA -0.090 4.294 4.340 0.075 0.000 0.227 211 R C 2.043 178.433 176.300 0.149 0.000 1.103 211 R CA 1.185 57.376 56.100 0.153 0.000 0.983 211 R CB -1.523 28.872 30.300 0.158 0.000 0.874 211 R HN 0.875 nan 8.270 nan 0.000 0.451 212 Y N -0.094 120.254 120.300 0.079 0.000 2.207 212 Y HA -0.238 4.357 4.550 0.075 0.000 0.287 212 Y C 1.784 177.632 175.900 -0.086 0.000 1.156 212 Y CA 1.815 59.931 58.100 0.026 0.000 1.182 212 Y CB -0.285 38.246 38.460 0.119 0.000 0.979 212 Y HN 0.145 nan 8.280 nan 0.000 0.521 213 F N -0.880 119.039 119.950 -0.051 0.000 2.126 213 F HA -0.261 4.311 4.527 0.075 0.000 0.299 213 F C 2.355 178.086 175.800 -0.115 0.000 1.096 213 F CA 1.689 59.623 58.000 -0.111 0.000 1.255 213 F CB -0.996 37.874 39.000 -0.216 0.000 0.997 213 F HN -0.124 nan 8.300 nan 0.000 0.479 214 V N -0.135 119.826 119.914 0.078 0.000 2.427 214 V HA -0.252 3.913 4.120 0.075 0.000 0.248 214 V C 2.397 178.411 176.094 -0.133 0.000 1.051 214 V CA 1.574 63.878 62.300 0.007 0.000 1.048 214 V CB -0.505 31.361 31.823 0.072 0.000 0.666 214 V HN 0.251 nan 8.190 nan 0.000 0.456 215 K N -0.652 119.559 120.400 -0.314 0.000 2.057 215 K HA -0.170 4.195 4.320 0.075 0.000 0.206 215 K C 2.131 178.281 176.600 -0.750 0.000 1.050 215 K CA 1.659 57.511 56.287 -0.725 0.000 0.935 215 K CB -0.450 31.223 32.500 -1.378 0.000 0.715 215 K HN 0.480 nan 8.250 nan 0.000 0.439 216 F N 2.209 121.775 119.950 -0.641 0.000 2.095 216 F HA -0.204 4.367 4.527 0.075 0.000 0.298 216 F C 1.931 177.617 175.800 -0.190 0.000 1.104 216 F CA 1.377 59.258 58.000 -0.198 0.000 1.232 216 F CB -0.358 38.550 39.000 -0.155 0.000 0.987 216 F HN -0.110 nan 8.300 nan 0.000 0.475 217 L N -0.137 120.854 121.223 -0.387 0.000 2.093 217 L HA -0.196 4.189 4.340 0.075 0.000 0.208 217 L C 2.217 178.867 176.870 -0.366 0.000 1.085 217 L CA 1.267 55.760 54.840 -0.578 0.000 0.755 217 L CB -0.896 40.603 42.059 -0.933 0.000 0.904 217 L HN 0.070 nan 8.230 nan 0.000 0.435 218 D N 0.410 120.701 120.400 -0.181 0.000 2.104 218 D HA -0.195 4.490 4.640 0.075 0.000 0.194 218 D C 2.232 178.547 176.300 0.024 0.000 0.994 218 D CA 1.695 55.730 54.000 0.058 0.000 0.830 218 D CB -0.057 40.758 40.800 0.025 0.000 0.959 218 D HN 0.327 nan 8.370 nan 0.000 0.452 219 A N -0.185 122.616 122.820 -0.030 0.000 1.898 219 A HA -0.188 4.177 4.320 0.075 0.000 0.216 219 A C 2.121 179.767 177.584 0.104 0.000 1.181 219 A CA 1.037 53.111 52.037 0.061 0.000 0.620 219 A CB -0.967 18.099 19.000 0.110 0.000 0.819 219 A HN 0.210 nan 8.150 nan 0.000 0.442 220 Y N -0.033 120.141 120.300 -0.211 0.000 2.242 220 Y HA -0.069 4.526 4.550 0.075 0.000 0.291 220 Y C 2.878 178.803 175.900 0.042 0.000 1.137 220 Y CA 0.777 58.808 58.100 -0.115 0.000 1.181 220 Y CB -0.498 37.851 38.460 -0.184 0.000 0.989 220 Y HN 0.330 nan 8.280 nan 0.000 0.527 221 A N -0.080 122.841 122.820 0.169 0.000 1.972 221 A HA -0.200 4.164 4.320 0.075 0.000 0.219 221 A C 2.006 179.648 177.584 0.097 0.000 1.169 221 A CA 1.696 53.823 52.037 0.150 0.000 0.635 221 A CB -0.586 18.533 19.000 0.198 0.000 0.810 221 A HN 0.533 nan 8.150 nan 0.000 0.446 222 E N -0.760 119.486 120.200 0.077 0.000 2.204 222 E HA -0.160 4.235 4.350 0.075 0.000 0.195 222 E C 0.846 177.369 176.600 -0.129 0.000 0.990 222 E CA 1.024 57.410 56.400 -0.024 0.000 0.821 222 E CB -0.182 29.489 29.700 -0.048 0.000 0.750 222 E HN 0.750 nan 8.360 nan 0.000 0.477 223 H N -0.137 118.912 119.070 -0.035 0.000 2.507 223 H HA 0.188 4.789 4.556 0.075 0.000 0.294 223 H C -0.061 175.335 175.328 0.113 0.000 1.064 223 H CA 0.043 56.081 56.048 -0.016 0.000 1.138 223 H CB 0.486 30.172 29.762 -0.128 0.000 1.515 223 H HN -0.064 nan 8.280 nan 0.000 0.547 224 K N 0.393 120.886 120.400 0.155 0.000 3.192 224 K HA -0.147 4.218 4.320 0.075 0.000 0.278 224 K C -0.920 175.768 176.600 0.146 0.000 1.164 224 K CA 0.242 56.625 56.287 0.159 0.000 0.816 224 K CB -1.716 30.883 32.500 0.165 0.000 1.256 224 K HN 0.316 nan 8.250 nan 0.000 0.497 225 L N 0.919 122.192 121.223 0.083 0.000 2.362 225 L HA 0.427 4.812 4.340 0.075 0.000 0.275 225 L C 0.045 176.935 176.870 0.034 0.000 0.998 225 L CA -0.970 53.856 54.840 -0.023 0.000 0.820 225 L CB 1.763 43.784 42.059 -0.063 0.000 1.270 225 L HN -0.006 nan 8.230 nan 0.000 0.415 226 Q N 2.498 122.266 119.800 -0.052 0.000 2.345 226 Q HA 0.544 4.929 4.340 0.075 0.000 0.268 226 Q C -1.221 174.707 176.000 -0.119 0.000 1.054 226 Q CA -0.609 55.210 55.803 0.026 0.000 0.835 226 Q CB 2.923 31.696 28.738 0.059 0.000 1.339 226 Q HN 0.313 nan 8.270 nan 0.000 0.447 227 F N 0.397 120.373 119.950 0.043 0.000 2.422 227 F HA 0.186 4.758 4.527 0.075 0.000 0.333 227 F C 0.997 176.850 175.800 0.089 0.000 1.095 227 F CA -0.687 57.349 58.000 0.060 0.000 1.038 227 F CB 0.931 39.941 39.000 0.016 0.000 1.156 227 F HN 0.725 nan 8.300 nan 0.000 0.483 228 W N 3.713 125.050 121.300 0.062 0.000 2.407 228 W HA 0.377 5.082 4.660 0.075 0.000 0.305 228 W C -0.163 176.359 176.519 0.005 0.000 1.196 228 W CA 1.151 58.495 57.345 -0.002 0.000 1.311 228 W CB -0.071 29.357 29.460 -0.054 0.000 1.135 228 W HN 0.441 nan 8.180 nan 0.000 0.514 229 A N 0.081 122.685 122.820 -0.360 0.000 2.609 229 A HA 0.601 4.966 4.320 0.075 0.000 0.291 229 A C -1.277 176.164 177.584 -0.239 0.000 1.096 229 A CA -0.221 51.415 52.037 -0.669 0.000 0.684 229 A CB 0.939 18.978 19.000 -1.602 0.000 1.282 229 A HN 0.578 nan 8.150 nan 0.000 0.412 230 V N -1.274 118.499 119.914 -0.236 0.000 2.914 230 V HA 0.946 5.111 4.120 0.075 0.000 0.314 230 V C -0.001 176.030 176.094 -0.106 0.000 1.084 230 V CA 0.065 62.305 62.300 -0.101 0.000 0.963 230 V CB 1.345 33.182 31.823 0.023 0.000 1.025 230 V HN 1.664 nan 8.190 nan 0.000 0.432 231 T N 0.254 114.790 114.554 -0.029 0.000 2.927 231 T HA 0.729 5.124 4.350 0.075 0.000 0.281 231 T C 1.072 175.799 174.700 0.045 0.000 0.998 231 T CA -0.040 62.037 62.100 -0.039 0.000 1.019 231 T CB 1.663 70.501 68.868 -0.050 0.000 1.061 231 T HN 1.604 nan 8.240 nan 0.000 0.518 232 A N 0.374 123.172 122.820 -0.037 0.000 2.119 232 A HA 0.372 4.737 4.320 0.075 0.000 0.216 232 A C 0.780 178.410 177.584 0.078 0.000 1.152 232 A CA 0.998 53.011 52.037 -0.041 0.000 0.708 232 A CB -0.721 18.187 19.000 -0.152 0.000 0.805 232 A HN 1.000 nan 8.150 nan 0.000 0.460 233 E N -1.568 118.630 120.200 -0.003 0.000 2.857 233 E HA 0.131 4.526 4.350 0.075 0.000 0.309 233 E C -1.335 175.141 176.600 -0.207 0.000 1.113 233 E CA -0.379 56.009 56.400 -0.020 0.000 0.906 233 E CB -0.230 29.438 29.700 -0.053 0.000 1.191 233 E HN 0.166 nan 8.360 nan 0.000 0.449 234 N N 3.131 121.610 118.700 -0.368 0.000 2.468 234 N HA 0.099 4.884 4.740 0.075 0.000 0.265 234 N C -0.751 174.433 175.510 -0.544 0.000 1.199 234 N CA 0.755 53.412 53.050 -0.656 0.000 0.928 234 N CB 0.378 37.936 38.487 -1.549 0.000 1.059 234 N HN 0.564 nan 8.380 nan 0.000 0.467 235 E N 1.856 121.738 120.200 -0.531 0.000 2.202 235 E HA -0.194 4.201 4.350 0.075 0.000 0.169 235 E C -1.674 174.707 176.600 -0.365 0.000 1.536 235 E CA 0.087 56.203 56.400 -0.474 0.000 0.664 235 E CB -0.541 28.923 29.700 -0.394 0.000 1.064 235 E HN 0.686 nan 8.360 nan 0.000 0.327 236 P HA -0.242 nan 4.420 nan 0.000 0.219 236 P C 1.528 178.801 177.300 -0.045 0.000 1.146 236 P CA 1.764 64.851 63.100 -0.023 0.000 0.808 236 P CB 0.057 31.861 31.700 0.174 0.000 0.779 237 S N 0.204 115.815 115.700 -0.148 0.000 2.419 237 S HA -0.112 4.403 4.470 0.075 0.000 0.233 237 S C 2.212 176.673 174.600 -0.231 0.000 1.016 237 S CA 1.098 59.235 58.200 -0.106 0.000 0.974 237 S CB -1.338 61.781 63.200 -0.134 0.000 0.786 237 S HN 0.151 nan 8.310 nan 0.000 0.492 238 A N 1.902 124.465 122.820 -0.428 0.000 1.908 238 A HA 0.143 4.507 4.320 0.075 0.000 0.218 238 A C 2.357 179.523 177.584 -0.697 0.000 1.181 238 A CA 1.558 53.089 52.037 -0.843 0.000 0.627 238 A CB -1.713 16.424 19.000 -1.438 0.000 0.818 238 A HN 0.722 nan 8.150 nan 0.000 0.445 239 G N -0.724 107.812 108.800 -0.440 0.000 2.776 239 G HA2 0.111 4.116 3.960 0.075 0.000 0.209 239 G HA3 0.111 4.116 3.960 0.075 0.000 0.209 239 G C 1.167 175.949 174.900 -0.197 0.000 1.145 239 G CA 0.615 45.536 45.100 -0.298 0.000 0.791 239 G HN 0.475 nan 8.290 nan 0.000 0.530 240 L N -0.472 120.655 121.223 -0.160 0.000 2.591 240 L HA 0.337 4.722 4.340 0.075 0.000 0.228 240 L C 0.366 177.197 176.870 -0.065 0.000 1.133 240 L CA -0.276 54.513 54.840 -0.085 0.000 0.880 240 L CB 0.078 42.119 42.059 -0.030 0.000 1.033 240 L HN 0.096 nan 8.230 nan 0.000 0.450 241 L N 0.228 121.406 121.223 -0.076 0.000 2.287 241 L HA 0.319 4.704 4.340 0.075 0.000 0.287 241 L C 0.552 177.432 176.870 0.018 0.000 1.022 241 L CA -0.296 54.538 54.840 -0.011 0.000 0.814 241 L CB 1.538 43.614 42.059 0.029 0.000 1.217 241 L HN -0.069 nan 8.230 nan 0.000 0.420 242 S N 4.348 120.051 115.700 0.006 0.000 2.575 242 S HA 0.356 4.871 4.470 0.075 0.000 0.295 242 S C 1.309 175.914 174.600 0.008 0.000 1.267 242 S CA 0.617 58.817 58.200 -0.000 0.000 1.074 242 S CB -0.282 62.913 63.200 -0.008 0.000 0.829 242 S HN 1.772 nan 8.310 nan 0.000 0.497 243 G N 3.311 112.111 108.800 -0.000 0.000 2.168 243 G HA2 -0.325 3.679 3.960 0.075 0.000 0.263 243 G HA3 -0.325 3.679 3.960 0.075 0.000 0.263 243 G C 0.028 174.906 174.900 -0.037 0.000 0.977 243 G CA 0.370 45.458 45.100 -0.021 0.000 0.659 243 G HN 1.138 nan 8.290 nan 0.000 0.533 244 Y N 2.211 122.437 120.300 -0.124 0.000 2.865 244 Y HA 0.203 4.798 4.550 0.075 0.000 0.338 244 Y C -0.102 175.672 175.900 -0.210 0.000 1.269 244 Y CA -0.184 57.801 58.100 -0.192 0.000 1.585 244 Y CB 0.871 39.190 38.460 -0.235 0.000 1.224 244 Y HN 0.123 nan 8.280 nan 0.000 0.554 245 P HA -0.070 nan 4.420 nan 0.000 0.229 245 P C -0.531 176.631 177.300 -0.231 0.000 1.160 245 P CA 1.098 63.956 63.100 -0.403 0.000 0.777 245 P CB -0.036 31.433 31.700 -0.384 0.000 0.814 246 F N -2.617 117.203 119.950 -0.216 0.000 2.922 246 F HA 0.673 5.244 4.527 0.075 0.000 0.345 246 F C -0.493 175.513 175.800 0.343 0.000 1.209 246 F CA -2.009 56.032 58.000 0.068 0.000 1.018 246 F CB -0.362 38.576 39.000 -0.104 0.000 1.472 246 F HN -0.492 nan 8.300 nan 0.000 0.521 247 Q N 1.093 121.345 119.800 0.753 0.000 2.269 247 Q HA 0.406 4.791 4.340 0.075 0.000 0.300 247 Q C -0.305 175.924 176.000 0.382 0.000 1.070 247 Q CA 0.661 56.752 55.803 0.480 0.000 0.957 247 Q CB 0.270 29.268 28.738 0.434 0.000 1.131 247 Q HN 0.859 nan 8.270 nan 0.000 0.377 248 C N 0.427 119.797 119.300 0.117 0.000 3.320 248 C HA 0.883 5.388 4.460 0.075 0.000 0.335 248 C C -1.699 173.196 174.990 -0.159 0.000 1.430 248 C CA -1.244 57.733 59.018 -0.069 0.000 1.271 248 C CB 0.797 28.375 27.740 -0.270 0.000 1.609 248 C HN 0.797 nan 8.230 nan 0.000 0.457 249 L N 1.612 122.706 121.223 -0.214 0.000 2.676 249 L HA 0.683 5.067 4.340 0.075 0.000 0.262 249 L C 0.092 176.780 176.870 -0.303 0.000 0.965 249 L CA 0.463 55.119 54.840 -0.307 0.000 0.920 249 L CB 1.144 43.008 42.059 -0.326 0.000 1.260 249 L HN 1.400 nan 8.230 nan 0.000 0.422 250 G N 3.489 112.046 108.800 -0.405 0.000 2.364 250 G HA2 0.475 4.480 3.960 0.075 0.000 0.267 250 G HA3 0.475 4.480 3.960 0.075 0.000 0.267 250 G C -1.125 173.483 174.900 -0.487 0.000 1.233 250 G CA 0.025 44.944 45.100 -0.302 0.000 0.885 250 G HN 0.376 nan 8.290 nan 0.000 0.490 251 F N 0.833 120.723 119.950 -0.100 0.000 2.557 251 F HA 0.358 4.930 4.527 0.075 0.000 0.316 251 F C 0.959 176.828 175.800 0.115 0.000 1.141 251 F CA -0.858 57.103 58.000 -0.066 0.000 0.922 251 F CB 2.077 41.019 39.000 -0.097 0.000 1.194 251 F HN 0.636 nan 8.300 nan 0.000 0.443 252 T N 0.078 114.771 114.554 0.232 0.000 2.802 252 T HA 0.153 4.548 4.350 0.075 0.000 0.305 252 T C -1.697 172.814 174.700 -0.314 0.000 1.053 252 T CA -1.279 60.857 62.100 0.061 0.000 1.058 252 T CB 1.038 69.919 68.868 0.021 0.000 0.988 252 T HN 0.399 nan 8.240 nan 0.000 0.539 253 P HA -0.033 nan 4.420 nan 0.000 0.221 253 P C 0.946 177.883 177.300 -0.604 0.000 1.150 253 P CA 1.001 63.194 63.100 -1.512 0.000 0.800 253 P CB 0.127 30.707 31.700 -1.867 0.000 0.787 254 E N -1.120 118.880 120.200 -0.332 0.000 2.107 254 E HA -0.169 4.226 4.350 0.075 0.000 0.191 254 E C 2.201 178.804 176.600 0.006 0.000 0.982 254 E CA 0.929 57.240 56.400 -0.149 0.000 0.809 254 E CB -1.047 28.592 29.700 -0.102 0.000 0.756 254 E HN 0.504 nan 8.360 nan 0.000 0.459 255 H N -0.017 119.031 119.070 -0.036 0.000 2.326 255 H HA -0.112 4.489 4.556 0.075 0.000 0.301 255 H C 2.248 177.732 175.328 0.260 0.000 1.081 255 H CA 1.409 57.536 56.048 0.131 0.000 1.334 255 H CB 0.293 30.164 29.762 0.181 0.000 1.385 255 H HN 0.137 nan 8.280 nan 0.000 0.504 256 Q N 0.831 120.785 119.800 0.256 0.000 2.061 256 Q HA -0.221 4.164 4.340 0.075 0.000 0.204 256 Q C 2.578 178.612 176.000 0.057 0.000 0.984 256 Q CA 1.710 57.555 55.803 0.069 0.000 0.846 256 Q CB -0.123 28.585 28.738 -0.049 0.000 0.902 256 Q HN 0.362 nan 8.270 nan 0.000 0.421 257 R N 0.029 120.511 120.500 -0.030 0.000 2.112 257 R HA -0.217 4.168 4.340 0.075 0.000 0.242 257 R C 1.352 177.662 176.300 0.016 0.000 1.137 257 R CA 2.237 58.309 56.100 -0.047 0.000 0.944 257 R CB -0.336 29.904 30.300 -0.099 0.000 0.857 257 R HN 0.410 nan 8.270 nan 0.000 0.435 258 D N -0.392 120.053 120.400 0.076 0.000 2.183 258 D HA -0.130 4.555 4.640 0.075 0.000 0.203 258 D C 1.589 177.977 176.300 0.147 0.000 0.969 258 D CA 0.738 54.787 54.000 0.081 0.000 0.842 258 D CB -0.363 40.474 40.800 0.060 0.000 0.957 258 D HN 0.210 nan 8.370 nan 0.000 0.484 259 F N 1.750 121.775 119.950 0.124 0.000 2.102 259 F HA -0.130 4.442 4.527 0.075 0.000 0.298 259 F C 2.096 177.892 175.800 -0.006 0.000 1.105 259 F CA 1.051 59.146 58.000 0.158 0.000 1.239 259 F CB -0.489 38.703 39.000 0.320 0.000 0.991 259 F HN -0.154 nan 8.300 nan 0.000 0.474 260 I N 0.236 120.651 120.570 -0.259 0.000 2.179 260 I HA -0.324 3.890 4.170 0.075 0.000 0.242 260 I C 2.703 178.648 176.117 -0.288 0.000 1.088 260 I CA 1.357 62.418 61.300 -0.399 0.000 1.357 260 I CB -0.969 36.903 38.000 -0.213 0.000 1.051 260 I HN 0.250 nan 8.210 nan 0.000 0.409 261 A N 0.671 123.435 122.820 -0.095 0.000 1.902 261 A HA -0.191 4.173 4.320 0.075 0.000 0.217 261 A C 2.386 179.936 177.584 -0.057 0.000 1.181 261 A CA 1.660 53.707 52.037 0.016 0.000 0.623 261 A CB -0.453 18.568 19.000 0.034 0.000 0.818 261 A HN 0.355 nan 8.150 nan 0.000 0.443 262 R N -1.512 118.936 120.500 -0.086 0.000 2.175 262 R HA 0.084 4.468 4.340 0.075 0.000 0.202 262 R C 0.851 177.086 176.300 -0.107 0.000 1.018 262 R CA 1.124 57.189 56.100 -0.058 0.000 1.029 262 R CB 0.093 30.392 30.300 -0.003 0.000 0.959 262 R HN 0.524 nan 8.270 nan 0.000 0.480 263 D N -0.284 119.996 120.400 -0.200 0.000 3.208 263 D HA -0.029 4.655 4.640 0.075 0.000 0.281 263 D C 1.637 177.654 176.300 -0.473 0.000 1.328 263 D CA 0.078 53.956 54.000 -0.203 0.000 1.102 263 D CB -0.204 40.641 40.800 0.075 0.000 1.267 263 D HN -0.073 nan 8.370 nan 0.000 0.405 264 L N 2.055 122.731 121.223 -0.911 0.000 2.005 264 L HA 0.078 4.463 4.340 0.075 0.000 0.207 264 L C 2.241 178.650 176.870 -0.768 0.000 1.072 264 L CA 2.294 56.545 54.840 -0.983 0.000 0.744 264 L CB -1.090 40.114 42.059 -1.424 0.000 0.895 264 L HN 0.113 nan 8.230 nan 0.000 0.433 265 G N -0.181 108.088 108.800 -0.885 0.000 2.514 265 G HA2 -0.230 3.775 3.960 0.075 0.000 0.217 265 G HA3 -0.230 3.775 3.960 0.075 0.000 0.217 265 G C -0.695 173.412 174.900 -1.321 0.000 1.198 265 G CA 1.018 45.308 45.100 -1.349 0.000 0.780 265 G HN 0.395 nan 8.290 nan 0.000 0.565 266 P HA -0.009 nan 4.420 nan 0.000 0.217 266 P C 1.964 179.111 177.300 -0.254 0.000 1.150 266 P CA 1.573 64.402 63.100 -0.451 0.000 0.832 266 P CB -0.237 31.316 31.700 -0.245 0.000 0.787 267 T N -0.045 114.346 114.554 -0.272 0.000 2.737 267 T HA -0.071 4.324 4.350 0.075 0.000 0.265 267 T C 1.798 176.426 174.700 -0.120 0.000 1.038 267 T CA 1.067 63.073 62.100 -0.156 0.000 1.144 267 T CB -0.920 67.864 68.868 -0.140 0.000 0.866 267 T HN 0.049 nan 8.240 nan 0.000 0.434 268 L N 0.788 121.900 121.223 -0.184 0.000 2.046 268 L HA -0.089 4.296 4.340 0.075 0.000 0.208 268 L C 3.021 179.888 176.870 -0.005 0.000 1.077 268 L CA 1.229 56.015 54.840 -0.090 0.000 0.747 268 L CB -0.637 41.330 42.059 -0.155 0.000 0.896 268 L HN 0.242 nan 8.230 nan 0.000 0.432 269 A N -0.121 122.679 122.820 -0.032 0.000 1.972 269 A HA -0.231 4.134 4.320 0.075 0.000 0.219 269 A C 1.930 179.542 177.584 0.047 0.000 1.169 269 A CA 2.013 54.093 52.037 0.071 0.000 0.635 269 A CB -0.599 18.490 19.000 0.148 0.000 0.810 269 A HN 0.461 nan 8.150 nan 0.000 0.446 270 N N -0.384 118.320 118.700 0.007 0.000 2.322 270 N HA 0.027 4.811 4.740 0.075 0.000 0.194 270 N C 0.381 175.898 175.510 0.011 0.000 1.126 270 N CA 0.693 53.740 53.050 -0.004 0.000 0.845 270 N CB -0.056 38.422 38.487 -0.014 0.000 0.976 270 N HN 0.506 nan 8.380 nan 0.000 0.475 271 S N -2.336 113.391 115.700 0.045 0.000 2.747 271 S HA 0.238 4.753 4.470 0.075 0.000 0.300 271 S C 1.381 176.003 174.600 0.037 0.000 1.121 271 S CA -0.101 58.117 58.200 0.031 0.000 0.995 271 S CB 0.747 63.989 63.200 0.071 0.000 1.113 271 S HN 0.216 nan 8.310 nan 0.000 0.547 272 T N -1.678 112.794 114.554 -0.137 0.000 3.025 272 T HA -0.066 4.329 4.350 0.075 0.000 0.270 272 T C 0.712 175.203 174.700 -0.348 0.000 1.126 272 T CA 0.937 62.912 62.100 -0.208 0.000 1.105 272 T CB -0.800 67.868 68.868 -0.333 0.000 0.884 272 T HN 0.759 nan 8.240 nan 0.000 0.522 273 H N 0.979 120.049 119.070 -0.000 0.000 2.568 273 H HA 0.179 4.780 4.556 0.075 0.000 0.302 273 H C 1.503 176.761 175.328 -0.116 0.000 1.065 273 H CA 0.466 56.470 56.048 -0.073 0.000 1.140 273 H CB -0.486 29.261 29.762 -0.025 0.000 1.474 273 H HN 0.847 nan 8.280 nan 0.000 0.545 274 H N -0.772 118.314 119.070 0.027 0.000 2.518 274 H HA -0.022 4.579 4.556 0.075 0.000 0.289 274 H C 1.215 176.547 175.328 0.007 0.000 1.051 274 H CA 0.874 56.929 56.048 0.012 0.000 1.280 274 H CB 0.080 29.841 29.762 -0.002 0.000 1.380 274 H HN 0.061 nan 8.280 nan 0.000 0.566 275 N N 0.820 119.274 118.700 -0.410 0.000 2.463 275 N HA 0.011 4.796 4.740 0.075 0.000 0.181 275 N C -0.177 175.261 175.510 -0.120 0.000 1.078 275 N CA 0.250 53.184 53.050 -0.195 0.000 0.902 275 N CB 0.422 38.780 38.487 -0.215 0.000 0.970 275 N HN 0.182 nan 8.380 nan 0.000 0.451 276 V N 3.488 123.348 119.914 -0.091 0.000 2.529 276 V HA -0.000 4.164 4.120 0.075 0.000 0.292 276 V C 0.813 176.790 176.094 -0.195 0.000 1.028 276 V CA -0.226 62.012 62.300 -0.102 0.000 1.074 276 V CB 0.415 32.222 31.823 -0.026 0.000 0.958 276 V HN 0.105 nan 8.190 nan 0.000 0.481 277 R N 3.525 123.803 120.500 -0.369 0.000 2.594 277 R HA 0.357 4.742 4.340 0.075 0.000 0.272 277 R C -0.451 175.652 176.300 -0.330 0.000 1.074 277 R CA -0.716 55.129 56.100 -0.424 0.000 1.105 277 R CB 0.376 30.225 30.300 -0.752 0.000 1.008 277 R HN 0.510 nan 8.270 nan 0.000 0.472 278 L N 3.393 124.497 121.223 -0.199 0.000 2.280 278 L HA 0.382 4.767 4.340 0.075 0.000 0.287 278 L C -0.975 175.810 176.870 -0.141 0.000 1.023 278 L CA -0.150 54.582 54.840 -0.181 0.000 0.819 278 L CB 0.894 42.856 42.059 -0.163 0.000 1.212 278 L HN 0.419 nan 8.230 nan 0.000 0.420 279 L N 6.113 127.233 121.223 -0.173 0.000 2.295 279 L HA 0.549 4.934 4.340 0.075 0.000 0.285 279 L C 0.362 177.171 176.870 -0.102 0.000 1.035 279 L CA -0.638 54.127 54.840 -0.124 0.000 0.806 279 L CB 1.556 43.530 42.059 -0.142 0.000 1.214 279 L HN 0.753 nan 8.230 nan 0.000 0.426 280 M N 2.078 121.632 119.600 -0.077 0.000 2.513 280 M HA 0.527 5.052 4.480 0.075 0.000 0.291 280 M C 0.578 176.835 176.300 -0.072 0.000 1.190 280 M CA -0.335 54.928 55.300 -0.062 0.000 0.960 280 M CB 1.552 34.134 32.600 -0.031 0.000 1.517 280 M HN 0.497 nan 8.290 nan 0.000 0.499 281 L N 0.235 121.415 121.223 -0.072 0.000 3.838 281 L HA -0.340 4.045 4.340 0.075 0.000 0.053 281 L C 0.311 176.955 176.870 -0.376 0.000 4.244 281 L CA 2.969 57.649 54.840 -0.267 0.000 0.724 281 L CB -1.840 40.072 42.059 -0.245 0.000 3.466 281 L HN 1.183 nan 8.230 nan 0.000 0.932 282 D N 0.502 120.718 120.400 -0.307 0.000 2.689 282 D HA -0.089 4.596 4.640 0.075 0.000 0.237 282 D C -0.392 175.407 176.300 -0.835 0.000 1.148 282 D CA 1.439 55.205 54.000 -0.390 0.000 0.656 282 D CB -0.775 39.867 40.800 -0.263 0.000 1.050 282 D HN 0.726 nan 8.370 nan 0.000 0.426 283 D N -0.930 119.017 120.400 -0.756 0.000 2.677 283 D HA 0.174 4.859 4.640 0.075 0.000 0.298 283 D C -0.492 175.560 176.300 -0.414 0.000 1.250 283 D CA -0.443 53.123 54.000 -0.723 0.000 0.888 283 D CB 0.723 41.108 40.800 -0.692 0.000 1.397 283 D HN -0.109 nan 8.370 nan 0.000 0.461 284 Q N 0.774 120.417 119.800 -0.261 0.000 2.315 284 Q HA 0.065 4.450 4.340 0.075 0.000 0.289 284 Q C 1.106 177.022 176.000 -0.141 0.000 1.044 284 Q CA 0.327 56.068 55.803 -0.103 0.000 0.920 284 Q CB 0.292 28.997 28.738 -0.054 0.000 1.214 284 Q HN 0.517 nan 8.270 nan 0.000 0.392 285 R N 1.547 122.002 120.500 -0.075 0.000 2.237 285 R HA -0.145 4.240 4.340 0.075 0.000 0.219 285 R C 1.646 177.907 176.300 -0.066 0.000 1.080 285 R CA 1.265 57.325 56.100 -0.068 0.000 0.995 285 R CB -0.714 29.567 30.300 -0.031 0.000 0.875 285 R HN 0.498 nan 8.270 nan 0.000 0.462 286 L N -0.522 120.654 121.223 -0.078 0.000 2.261 286 L HA -0.026 4.359 4.340 0.075 0.000 0.216 286 L C 1.705 178.554 176.870 -0.035 0.000 1.114 286 L CA 1.474 56.274 54.840 -0.068 0.000 0.777 286 L CB -0.490 41.512 42.059 -0.095 0.000 0.910 286 L HN 0.113 nan 8.230 nan 0.000 0.440 287 L N -0.410 120.766 121.223 -0.078 0.000 2.551 287 L HA 0.126 4.511 4.340 0.075 0.000 0.228 287 L C 0.728 177.660 176.870 0.104 0.000 1.153 287 L CA 0.102 54.915 54.840 -0.045 0.000 0.851 287 L CB -0.262 41.538 42.059 -0.432 0.000 0.959 287 L HN 0.255 nan 8.230 nan 0.000 0.451 288 L N 0.517 121.775 121.223 0.059 0.000 2.334 288 L HA 0.286 4.670 4.340 0.075 0.000 0.275 288 L C -1.410 175.531 176.870 0.119 0.000 1.036 288 L CA -1.583 53.324 54.840 0.111 0.000 0.807 288 L CB 1.222 43.322 42.059 0.069 0.000 1.231 288 L HN -0.214 nan 8.230 nan 0.000 0.438 289 P HA -0.044 nan 4.420 nan 0.000 0.249 289 P C 0.962 178.401 177.300 0.233 0.000 1.229 289 P CA 0.525 63.744 63.100 0.198 0.000 0.788 289 P CB 0.069 31.892 31.700 0.205 0.000 1.072 290 H N -0.515 118.652 119.070 0.162 0.000 2.319 290 H HA -0.176 4.425 4.556 0.075 0.000 0.297 290 H C 1.407 176.833 175.328 0.165 0.000 1.097 290 H CA 2.175 58.316 56.048 0.155 0.000 1.285 290 H CB -0.766 29.088 29.762 0.152 0.000 1.368 290 H HN 0.030 nan 8.280 nan 0.000 0.495 291 W N 0.409 121.647 121.300 -0.103 0.000 2.388 291 W HA 0.012 4.717 4.660 0.075 0.000 0.294 291 W C 2.854 179.242 176.519 -0.219 0.000 1.212 291 W CA 1.872 59.106 57.345 -0.186 0.000 1.271 291 W CB -0.757 28.648 29.460 -0.091 0.000 1.126 291 W HN 0.381 nan 8.180 nan 0.000 0.535 292 A N 0.156 123.003 122.820 0.045 0.000 1.898 292 A HA -0.203 4.162 4.320 0.075 0.000 0.216 292 A C 1.952 179.299 177.584 -0.395 0.000 1.181 292 A CA 1.838 53.749 52.037 -0.210 0.000 0.620 292 A CB -0.612 18.296 19.000 -0.153 0.000 0.819 292 A HN 0.275 nan 8.150 nan 0.000 0.442 293 K N -0.397 119.943 120.400 -0.099 0.000 2.032 293 K HA -0.097 4.268 4.320 0.075 0.000 0.209 293 K C 1.887 178.396 176.600 -0.150 0.000 1.048 293 K CA 1.536 57.827 56.287 0.008 0.000 0.927 293 K CB -0.461 32.109 32.500 0.116 0.000 0.712 293 K HN 0.290 nan 8.250 nan 0.000 0.441 294 V N 0.987 120.729 119.914 -0.287 0.000 2.287 294 V HA -0.231 3.934 4.120 0.075 0.000 0.248 294 V C 2.249 178.197 176.094 -0.244 0.000 1.053 294 V CA 1.631 63.743 62.300 -0.313 0.000 1.027 294 V CB -0.336 31.178 31.823 -0.516 0.000 0.646 294 V HN 0.105 nan 8.190 nan 0.000 0.447 295 V N -0.569 119.189 119.914 -0.259 0.000 2.346 295 V HA -0.090 4.075 4.120 0.075 0.000 0.244 295 V C 2.070 178.038 176.094 -0.209 0.000 1.037 295 V CA 1.523 63.700 62.300 -0.206 0.000 1.029 295 V CB -0.381 31.343 31.823 -0.166 0.000 0.663 295 V HN 0.424 nan 8.190 nan 0.000 0.454 296 L N 0.691 121.717 121.223 -0.330 0.000 2.492 296 L HA -0.012 4.373 4.340 0.075 0.000 0.223 296 L C 2.280 179.057 176.870 -0.154 0.000 1.132 296 L CA 1.316 55.940 54.840 -0.360 0.000 0.850 296 L CB -0.648 40.921 42.059 -0.817 0.000 0.966 296 L HN 0.530 nan 8.230 nan 0.000 0.454 297 T N -5.039 109.467 114.554 -0.080 0.000 3.107 297 T HA -0.007 4.388 4.350 0.075 0.000 0.249 297 T C 0.546 175.239 174.700 -0.012 0.000 1.096 297 T CA -0.296 61.822 62.100 0.031 0.000 1.012 297 T CB -0.180 68.733 68.868 0.075 0.000 0.977 297 T HN 0.014 nan 8.240 nan 0.000 0.527 298 D N 2.829 123.200 120.400 -0.049 0.000 2.396 298 D HA 0.245 4.930 4.640 0.075 0.000 0.225 298 D C -1.379 174.893 176.300 -0.046 0.000 1.121 298 D CA -2.685 51.289 54.000 -0.044 0.000 0.853 298 D CB 1.942 42.711 40.800 -0.053 0.000 1.043 298 D HN 0.011 nan 8.370 nan 0.000 0.500 299 P HA -0.145 nan 4.420 nan 0.000 0.218 299 P C 1.039 178.292 177.300 -0.078 0.000 1.148 299 P CA 0.735 63.802 63.100 -0.054 0.000 0.822 299 P CB 0.439 32.113 31.700 -0.044 0.000 0.784 300 E N -0.264 119.906 120.200 -0.050 0.000 2.106 300 E HA -0.051 4.344 4.350 0.075 0.000 0.192 300 E C 2.317 178.930 176.600 0.021 0.000 0.984 300 E CA 1.162 57.547 56.400 -0.025 0.000 0.806 300 E CB -1.136 28.575 29.700 0.018 0.000 0.750 300 E HN 0.412 nan 8.360 nan 0.000 0.458 301 A N 0.767 123.593 122.820 0.009 0.000 1.898 301 A HA 0.282 4.647 4.320 0.075 0.000 0.214 301 A C 2.515 180.088 177.584 -0.017 0.000 1.183 301 A CA 1.346 53.406 52.037 0.039 0.000 0.622 301 A CB -0.785 18.202 19.000 -0.021 0.000 0.824 301 A HN 0.448 nan 8.150 nan 0.000 0.444 302 A N 1.361 124.133 122.820 -0.079 0.000 1.948 302 A HA -0.232 4.133 4.320 0.075 0.000 0.220 302 A C 2.043 179.546 177.584 -0.135 0.000 1.177 302 A CA 2.098 54.074 52.037 -0.102 0.000 0.636 302 A CB -0.644 18.303 19.000 -0.088 0.000 0.815 302 A HN 0.725 nan 8.150 nan 0.000 0.449 303 K N -1.787 118.467 120.400 -0.243 0.000 2.360 303 K HA -0.123 4.242 4.320 0.075 0.000 0.201 303 K C 1.190 177.531 176.600 -0.432 0.000 1.046 303 K CA 1.661 57.725 56.287 -0.371 0.000 0.945 303 K CB -0.435 31.754 32.500 -0.519 0.000 0.750 303 K HN 0.609 nan 8.250 nan 0.000 0.464 304 Y N 0.857 121.112 120.300 -0.076 0.000 2.458 304 Y HA 0.191 4.785 4.550 0.075 0.000 0.254 304 Y C 0.404 176.248 175.900 -0.092 0.000 1.120 304 Y CA -0.823 57.221 58.100 -0.093 0.000 1.282 304 Y CB 1.012 39.389 38.460 -0.137 0.000 1.109 304 Y HN -0.208 nan 8.280 nan 0.000 0.526 305 V N 0.860 120.792 119.914 0.029 0.000 2.406 305 V HA 0.018 4.183 4.120 0.075 0.000 0.272 305 V C 0.646 176.750 176.094 0.016 0.000 1.043 305 V CA -0.228 62.067 62.300 -0.008 0.000 0.915 305 V CB 1.089 32.877 31.823 -0.058 0.000 0.988 305 V HN 0.319 nan 8.190 nan 0.000 0.466 306 H N 3.742 122.767 119.070 -0.074 0.000 2.465 306 H HA 0.429 5.030 4.556 0.075 0.000 0.289 306 H C 0.716 176.026 175.328 -0.030 0.000 1.022 306 H CA 0.985 57.000 56.048 -0.056 0.000 1.340 306 H CB 0.639 30.346 29.762 -0.092 0.000 1.437 306 H HN 0.763 nan 8.280 nan 0.000 0.539 307 G N -0.659 108.074 108.800 -0.112 0.000 2.608 307 G HA2 0.448 4.453 3.960 0.075 0.000 0.291 307 G HA3 0.448 4.453 3.960 0.075 0.000 0.291 307 G C -1.685 173.191 174.900 -0.041 0.000 1.425 307 G CA -0.719 44.311 45.100 -0.116 0.000 0.787 307 G HN 0.135 nan 8.290 nan 0.000 0.484 308 I N 1.046 121.622 120.570 0.011 0.000 2.418 308 I HA 0.574 4.789 4.170 0.075 0.000 0.287 308 I C 0.450 176.613 176.117 0.076 0.000 1.008 308 I CA -0.773 60.537 61.300 0.017 0.000 1.104 308 I CB 2.017 40.027 38.000 0.016 0.000 1.264 308 I HN 0.641 nan 8.210 nan 0.000 0.438 309 A N 6.698 129.549 122.820 0.051 0.000 2.301 309 A HA 0.785 5.150 4.320 0.075 0.000 0.298 309 A C -0.300 177.289 177.584 0.007 0.000 1.185 309 A CA -0.462 51.646 52.037 0.118 0.000 0.830 309 A CB 0.863 19.939 19.000 0.126 0.000 1.112 309 A HN 0.615 nan 8.150 nan 0.000 0.508 310 V N 0.794 120.723 119.914 0.025 0.000 2.823 310 V HA 0.637 4.802 4.120 0.075 0.000 0.312 310 V C -0.442 175.704 176.094 0.086 0.000 1.072 310 V CA -0.767 61.521 62.300 -0.020 0.000 0.937 310 V CB 1.213 33.019 31.823 -0.028 0.000 1.013 310 V HN 0.940 nan 8.190 nan 0.000 0.430 311 H N 2.847 121.835 119.070 -0.138 0.000 2.567 311 H HA 0.342 4.943 4.556 0.075 0.000 0.345 311 H C -0.409 174.890 175.328 -0.048 0.000 1.169 311 H CA -0.346 55.624 56.048 -0.131 0.000 1.227 311 H CB 2.195 31.980 29.762 0.039 0.000 1.607 311 H HN 0.980 nan 8.280 nan 0.000 0.534 312 W N 2.634 123.699 121.300 -0.392 0.000 3.220 312 W HA 0.067 4.772 4.660 0.074 0.000 0.328 312 W C -0.163 176.237 176.519 -0.199 0.000 1.205 312 W CA -0.401 56.760 57.345 -0.307 0.000 1.773 312 W CB -1.068 28.171 29.460 -0.368 0.000 1.086 312 W HN 0.652 nan 8.180 nan 0.000 0.622 313 Y N 1.529 121.958 120.300 0.215 0.000 2.293 313 Y HA -0.013 4.583 4.550 0.076 0.000 0.291 313 Y C 1.923 177.848 175.900 0.042 0.000 1.137 313 Y CA 1.406 59.535 58.100 0.047 0.000 1.202 313 Y CB -0.255 38.319 38.460 0.190 0.000 0.990 313 Y HN -0.171 nan 8.280 nan 0.000 0.537 314 L N -0.102 121.237 121.223 0.193 0.000 3.062 314 L HA 0.144 4.529 4.340 0.075 0.000 0.255 314 L C 0.508 177.356 176.870 -0.036 0.000 1.274 314 L CA -0.210 54.711 54.840 0.135 0.000 1.047 314 L CB 0.102 42.176 42.059 0.025 0.000 1.402 314 L HN 0.060 nan 8.230 nan 0.000 0.550 315 D N 1.258 121.665 120.400 0.011 0.000 2.190 315 D HA -0.249 4.436 4.640 0.075 0.000 0.200 315 D C 1.986 178.282 176.300 -0.006 0.000 0.992 315 D CA 1.525 55.513 54.000 -0.019 0.000 0.854 315 D CB -0.049 40.736 40.800 -0.026 0.000 0.936 315 D HN 0.526 nan 8.370 nan 0.000 0.462 316 F N -0.298 119.618 119.950 -0.056 0.000 2.250 316 F HA -0.090 4.481 4.527 0.074 0.000 0.301 316 F C 1.530 177.324 175.800 -0.009 0.000 1.077 316 F CA 0.742 58.726 58.000 -0.026 0.000 1.348 316 F CB -0.338 38.651 39.000 -0.018 0.000 1.040 316 F HN -0.112 nan 8.300 nan 0.000 0.509 317 L N 0.782 121.501 121.223 -0.842 0.000 2.611 317 L HA 0.375 4.759 4.340 0.075 0.000 0.229 317 L C 0.555 177.259 176.870 -0.276 0.000 1.137 317 L CA 0.601 55.080 54.840 -0.601 0.000 0.901 317 L CB -1.192 40.438 42.059 -0.715 0.000 1.098 317 L HN 0.418 nan 8.230 nan 0.000 0.456 318 A N 1.256 123.961 122.820 -0.191 0.000 2.984 318 A HA 0.541 4.906 4.320 0.075 0.000 0.320 318 A C -2.476 175.051 177.584 -0.096 0.000 1.142 318 A CA -0.878 51.086 52.037 -0.122 0.000 0.772 318 A CB 0.274 19.208 19.000 -0.109 0.000 1.195 318 A HN -0.116 nan 8.150 nan 0.000 0.459 319 P HA 0.082 nan 4.420 nan 0.000 0.264 319 P C 1.120 178.311 177.300 -0.181 0.000 1.183 319 P CA 0.789 63.828 63.100 -0.101 0.000 0.763 319 P CB 1.036 32.693 31.700 -0.072 0.000 0.807 320 A N 4.515 127.154 122.820 -0.303 0.000 1.933 320 A HA -0.205 4.160 4.320 0.075 0.000 0.218 320 A C 2.213 179.403 177.584 -0.657 0.000 1.175 320 A CA 1.693 53.429 52.037 -0.503 0.000 0.628 320 A CB -0.948 17.627 19.000 -0.708 0.000 0.814 320 A HN 0.585 nan 8.150 nan 0.000 0.444 321 K N -0.226 119.766 120.400 -0.680 0.000 2.032 321 K HA -0.122 4.243 4.320 0.075 0.000 0.209 321 K C 1.984 178.540 176.600 -0.074 0.000 1.048 321 K CA 1.351 57.462 56.287 -0.292 0.000 0.927 321 K CB -0.315 32.165 32.500 -0.034 0.000 0.712 321 K HN 0.371 nan 8.250 nan 0.000 0.441 322 A N 0.214 122.990 122.820 -0.075 0.000 2.119 322 A HA -0.069 4.296 4.320 0.075 0.000 0.217 322 A C 1.792 179.376 177.584 0.001 0.000 1.153 322 A CA 1.752 53.779 52.037 -0.017 0.000 0.692 322 A CB -0.377 18.609 19.000 -0.023 0.000 0.799 322 A HN 0.662 nan 8.150 nan 0.000 0.458 323 T N -3.113 111.426 114.554 -0.024 0.000 3.478 323 T HA 0.213 4.608 4.350 0.075 0.000 0.223 323 T C 1.769 176.501 174.700 0.053 0.000 0.958 323 T CA 0.489 62.594 62.100 0.009 0.000 1.324 323 T CB -0.701 68.151 68.868 -0.025 0.000 1.262 323 T HN 0.086 nan 8.240 nan 0.000 0.379 324 L N 1.510 122.752 121.223 0.033 0.000 2.012 324 L HA 0.083 4.468 4.340 0.075 0.000 0.210 324 L C 3.134 180.151 176.870 0.244 0.000 1.073 324 L CA 1.841 56.758 54.840 0.129 0.000 0.748 324 L CB -1.198 40.933 42.059 0.121 0.000 0.891 324 L HN 0.609 nan 8.230 nan 0.000 0.431 325 G N -0.497 108.441 108.800 0.229 0.000 2.402 325 G HA2 -0.291 3.714 3.960 0.075 0.000 0.216 325 G HA3 -0.291 3.714 3.960 0.075 0.000 0.216 325 G C 1.486 176.542 174.900 0.260 0.000 1.162 325 G CA 0.803 46.141 45.100 0.397 0.000 0.777 325 G HN 0.315 nan 8.290 nan 0.000 0.539 326 E N 0.463 120.759 120.200 0.160 0.000 2.072 326 E HA -0.061 4.334 4.350 0.075 0.000 0.191 326 E C 2.626 179.294 176.600 0.114 0.000 0.985 326 E CA 1.603 58.070 56.400 0.112 0.000 0.801 326 E CB -0.566 29.185 29.700 0.084 0.000 0.750 326 E HN 0.310 nan 8.360 nan 0.000 0.452 327 T N 0.168 114.821 114.554 0.166 0.000 2.708 327 T HA -0.187 4.208 4.350 0.075 0.000 0.266 327 T C 1.651 176.469 174.700 0.197 0.000 1.037 327 T CA 1.402 63.638 62.100 0.227 0.000 1.146 327 T CB -0.567 68.434 68.868 0.222 0.000 0.865 327 T HN 0.384 nan 8.240 nan 0.000 0.435 328 H N 1.459 120.582 119.070 0.088 0.000 2.319 328 H HA -0.062 4.539 4.556 0.075 0.000 0.299 328 H C 2.640 177.917 175.328 -0.086 0.000 1.092 328 H CA 1.814 57.842 56.048 -0.034 0.000 1.302 328 H CB -0.100 29.511 29.762 -0.252 0.000 1.373 328 H HN 0.230 nan 8.280 nan 0.000 0.497 329 R N 0.229 120.665 120.500 -0.107 0.000 2.083 329 R HA -0.122 4.263 4.340 0.075 0.000 0.237 329 R C 2.754 178.899 176.300 -0.258 0.000 1.137 329 R CA 1.640 57.650 56.100 -0.150 0.000 0.951 329 R CB -0.132 30.159 30.300 -0.016 0.000 0.851 329 R HN 0.324 nan 8.270 nan 0.000 0.434 330 L N -0.884 120.167 121.223 -0.287 0.000 2.072 330 L HA -0.024 4.361 4.340 0.075 0.000 0.205 330 L C 0.467 176.787 176.870 -0.917 0.000 1.079 330 L CA 0.877 55.343 54.840 -0.624 0.000 0.752 330 L CB 0.110 41.726 42.059 -0.738 0.000 0.906 330 L HN 0.101 nan 8.230 nan 0.000 0.436 331 F N -0.510 119.373 119.950 -0.113 0.000 2.523 331 F HA 0.293 4.865 4.527 0.075 0.000 0.322 331 F C -1.658 174.041 175.800 -0.167 0.000 1.361 331 F CA -1.521 56.415 58.000 -0.107 0.000 1.151 331 F CB 0.379 39.346 39.000 -0.056 0.000 1.391 331 F HN -0.141 nan 8.300 nan 0.000 0.566 332 P HA -0.079 nan 4.420 nan 0.000 0.230 332 P C 0.538 177.797 177.300 -0.069 0.000 1.158 332 P CA 1.086 63.962 63.100 -0.374 0.000 0.769 332 P CB 0.380 31.760 31.700 -0.532 0.000 0.807 333 N N -0.472 118.222 118.700 -0.010 0.000 2.398 333 N HA 0.021 4.806 4.740 0.075 0.000 0.188 333 N C -0.004 175.509 175.510 0.006 0.000 1.122 333 N CA 0.621 53.681 53.050 0.017 0.000 0.866 333 N CB 0.017 38.514 38.487 0.016 0.000 0.970 333 N HN 0.108 nan 8.380 nan 0.000 0.462 334 T N 2.518 117.088 114.554 0.026 0.000 2.874 334 T HA 0.307 4.702 4.350 0.075 0.000 0.321 334 T C 0.521 175.221 174.700 0.001 0.000 1.075 334 T CA -0.775 61.308 62.100 -0.028 0.000 0.966 334 T CB 0.702 69.564 68.868 -0.010 0.000 1.001 334 T HN 0.086 nan 8.240 nan 0.000 0.476 335 M N 3.051 122.608 119.600 -0.072 0.000 2.252 335 M HA 0.376 4.901 4.480 0.075 0.000 0.333 335 M C -0.831 175.527 176.300 0.096 0.000 1.111 335 M CA 0.277 55.596 55.300 0.032 0.000 1.140 335 M CB -0.218 32.382 32.600 -0.000 0.000 1.538 335 M HN 0.345 nan 8.290 nan 0.000 0.448 336 L N 3.213 124.537 121.223 0.169 0.000 2.295 336 L HA 0.683 5.068 4.340 0.075 0.000 0.285 336 L C -1.137 175.881 176.870 0.246 0.000 1.035 336 L CA -0.300 54.648 54.840 0.181 0.000 0.806 336 L CB 1.194 43.360 42.059 0.178 0.000 1.214 336 L HN 0.822 nan 8.230 nan 0.000 0.426 337 F N 2.655 122.637 119.950 0.053 0.000 2.573 337 F HA 0.656 5.228 4.527 0.075 0.000 0.316 337 F C -0.296 175.500 175.800 -0.006 0.000 1.148 337 F CA -0.713 57.316 58.000 0.049 0.000 0.940 337 F CB 1.425 40.502 39.000 0.128 0.000 1.214 337 F HN 0.435 nan 8.300 nan 0.000 0.448 338 A N 3.607 126.042 122.820 -0.641 0.000 2.350 338 A HA 0.460 4.825 4.320 0.075 0.000 0.293 338 A C 0.501 177.542 177.584 -0.905 0.000 1.231 338 A CA 0.340 51.986 52.037 -0.651 0.000 0.883 338 A CB -0.049 18.547 19.000 -0.672 0.000 1.133 338 A HN 1.006 nan 8.150 nan 0.000 0.533 339 S N 1.186 116.631 115.700 -0.426 0.000 2.512 339 S HA 0.273 4.788 4.470 0.075 0.000 0.216 339 S C 0.275 174.654 174.600 -0.369 0.000 1.006 339 S CA 0.159 58.264 58.200 -0.157 0.000 0.915 339 S CB 0.190 63.531 63.200 0.234 0.000 0.824 339 S HN 0.775 nan 8.310 nan 0.000 0.497 340 E N -0.140 119.633 120.200 -0.711 0.000 2.347 340 E HA 0.623 5.018 4.350 0.075 0.000 0.285 340 E C -1.973 173.971 176.600 -1.094 0.000 0.925 340 E CA -0.480 55.381 56.400 -0.898 0.000 0.779 340 E CB 1.984 30.964 29.700 -1.200 0.000 1.233 340 E HN 0.374 nan 8.360 nan 0.000 0.414 341 A N 2.100 124.249 122.820 -1.118 0.000 2.574 341 A HA 0.800 5.165 4.320 0.075 0.000 0.297 341 A C -1.180 175.959 177.584 -0.742 0.000 1.062 341 A CA -0.493 50.571 52.037 -1.622 0.000 0.686 341 A CB 0.879 18.302 19.000 -2.629 0.000 1.285 341 A HN 0.871 nan 8.150 nan 0.000 0.403 342 C N 0.284 119.426 119.300 -0.264 0.000 3.239 342 C HA 0.873 5.378 4.460 0.075 0.000 0.329 342 C C -0.237 175.190 174.990 0.728 0.000 1.252 342 C CA -0.199 59.029 59.018 0.350 0.000 1.323 342 C CB 0.600 28.634 27.740 0.491 0.000 1.663 342 C HN 1.990 nan 8.230 nan 0.000 0.487 343 V N 0.482 120.786 119.914 0.649 0.000 2.973 343 V HA 0.949 5.114 4.120 0.075 0.000 0.314 343 V C 1.008 177.289 176.094 0.312 0.000 1.066 343 V CA 0.607 63.224 62.300 0.527 0.000 1.021 343 V CB 0.786 32.849 31.823 0.401 0.000 1.076 343 V HN 2.929 nan 8.190 nan 0.000 0.462 344 G N 1.646 110.556 108.800 0.183 0.000 2.157 344 G HA2 -0.243 3.761 3.960 0.075 0.000 0.239 344 G HA3 -0.243 3.761 3.960 0.075 0.000 0.239 344 G C 0.858 175.798 174.900 0.066 0.000 0.982 344 G CA 1.065 46.213 45.100 0.081 0.000 0.650 344 G HN 2.031 nan 8.290 nan 0.000 0.527 345 S N -0.751 115.011 115.700 0.103 0.000 2.558 345 S HA 0.314 4.829 4.470 0.075 0.000 0.217 345 S C 1.027 175.561 174.600 -0.110 0.000 0.975 345 S CA 0.467 58.714 58.200 0.079 0.000 0.912 345 S CB 0.320 63.634 63.200 0.189 0.000 0.776 345 S HN 0.347 nan 8.310 nan 0.000 0.526 346 K N 1.982 122.167 120.400 -0.359 0.000 2.237 346 K HA 0.211 4.576 4.320 0.075 0.000 0.270 346 K C 1.005 177.174 176.600 -0.718 0.000 1.015 346 K CA -0.430 55.378 56.287 -0.799 0.000 0.949 346 K CB 0.280 31.747 32.500 -1.723 0.000 0.976 346 K HN 0.356 nan 8.250 nan 0.000 0.472 347 F N 0.438 120.118 119.950 -0.450 0.000 2.192 347 F HA -0.183 4.389 4.527 0.075 0.000 0.301 347 F C 1.632 177.424 175.800 -0.014 0.000 1.079 347 F CA 0.799 58.730 58.000 -0.115 0.000 1.303 347 F CB -0.770 38.262 39.000 0.052 0.000 1.024 347 F HN 0.705 nan 8.300 nan 0.000 0.494 348 W N 1.390 122.476 121.300 -0.357 0.000 3.003 348 W HA 0.356 5.061 4.660 0.074 0.000 0.257 348 W C -0.014 176.462 176.519 -0.072 0.000 1.308 348 W CA -0.502 56.735 57.345 -0.181 0.000 1.529 348 W CB -1.017 28.221 29.460 -0.371 0.000 1.115 348 W HN -0.049 nan 8.180 nan 0.000 0.659 349 E N 2.065 122.042 120.200 -0.373 0.000 2.301 349 E HA 0.044 4.439 4.350 0.075 0.000 0.275 349 E C -0.310 176.263 176.600 -0.046 0.000 1.030 349 E CA -0.746 55.539 56.400 -0.191 0.000 0.852 349 E CB 0.903 30.416 29.700 -0.312 0.000 1.060 349 E HN 0.086 nan 8.360 nan 0.000 0.401 350 Q N 1.813 121.615 119.800 0.004 0.000 2.274 350 Q HA -0.027 4.358 4.340 0.075 0.000 0.280 350 Q C 0.239 176.241 176.000 0.003 0.000 1.047 350 Q CA 0.050 55.863 55.803 0.016 0.000 0.907 350 Q CB 0.667 29.405 28.738 -0.000 0.000 1.171 350 Q HN 0.553 nan 8.270 nan 0.000 0.381 351 S N 2.464 118.192 115.700 0.046 0.000 2.343 351 S HA -0.069 4.446 4.470 0.075 0.000 0.219 351 S C 0.301 174.920 174.600 0.032 0.000 1.033 351 S CA 0.823 59.073 58.200 0.083 0.000 1.014 351 S CB 0.306 63.605 63.200 0.165 0.000 0.915 351 S HN 0.537 nan 8.310 nan 0.000 0.435 352 V N 1.997 121.899 119.914 -0.020 0.000 2.448 352 V HA 0.436 4.601 4.120 0.075 0.000 0.295 352 V C -0.303 175.683 176.094 -0.180 0.000 1.025 352 V CA -0.580 61.676 62.300 -0.073 0.000 0.859 352 V CB 1.528 33.309 31.823 -0.069 0.000 0.988 352 V HN 0.202 nan 8.190 nan 0.000 0.431 353 R N 4.688 125.022 120.500 -0.276 0.000 2.402 353 R HA 0.469 4.854 4.340 0.075 0.000 0.290 353 R C -0.875 175.172 176.300 -0.422 0.000 1.321 353 R CA -0.563 55.154 56.100 -0.639 0.000 1.283 353 R CB 1.047 30.889 30.300 -0.764 0.000 1.111 353 R HN 0.630 nan 8.270 nan 0.000 0.578 354 L N 2.313 123.402 121.223 -0.223 0.000 2.654 354 L HA 0.011 4.396 4.340 0.075 0.000 0.271 354 L C 1.274 178.251 176.870 0.177 0.000 1.169 354 L CA 0.889 55.666 54.840 -0.104 0.000 0.947 354 L CB 0.363 42.098 42.059 -0.541 0.000 1.232 354 L HN 0.996 nan 8.230 nan 0.000 0.486 355 G N 2.012 110.899 108.800 0.145 0.000 2.141 355 G HA2 -0.272 3.733 3.960 0.075 0.000 0.231 355 G HA3 -0.272 3.733 3.960 0.075 0.000 0.231 355 G C 0.370 175.417 174.900 0.244 0.000 0.984 355 G CA 0.146 45.391 45.100 0.243 0.000 0.660 355 G HN 0.653 nan 8.290 nan 0.000 0.525 356 S N -0.058 115.719 115.700 0.127 0.000 2.509 356 S HA 0.189 4.704 4.470 0.075 0.000 0.287 356 S C 1.282 175.973 174.600 0.153 0.000 1.248 356 S CA 0.549 58.812 58.200 0.105 0.000 1.089 356 S CB -0.092 63.081 63.200 -0.045 0.000 0.900 356 S HN 0.451 nan 8.310 nan 0.000 0.496 357 W N 4.481 125.794 121.300 0.021 0.000 2.418 357 W HA -0.125 4.579 4.660 0.073 0.000 0.292 357 W C 1.450 177.943 176.519 -0.044 0.000 1.213 357 W CA 1.519 58.869 57.345 0.010 0.000 1.283 357 W CB -0.386 29.076 29.460 0.005 0.000 1.119 357 W HN 0.945 nan 8.180 nan 0.000 0.542 358 D N 0.054 120.481 120.400 0.046 0.000 2.104 358 D HA -0.233 4.452 4.640 0.075 0.000 0.194 358 D C 2.208 178.446 176.300 -0.103 0.000 0.994 358 D CA 2.058 56.046 54.000 -0.020 0.000 0.830 358 D CB -0.081 40.737 40.800 0.030 0.000 0.959 358 D HN 0.014 nan 8.370 nan 0.000 0.452 359 R N -0.320 120.119 120.500 -0.100 0.000 2.075 359 R HA 0.012 4.397 4.340 0.075 0.000 0.232 359 R C 2.539 178.688 176.300 -0.252 0.000 1.126 359 R CA 1.130 57.173 56.100 -0.094 0.000 0.963 359 R CB -0.562 29.685 30.300 -0.089 0.000 0.858 359 R HN 0.258 nan 8.270 nan 0.000 0.435 360 G N 1.221 109.740 108.800 -0.468 0.000 2.514 360 G HA2 -0.312 3.693 3.960 0.075 0.000 0.217 360 G HA3 -0.312 3.693 3.960 0.075 0.000 0.217 360 G C 1.421 175.663 174.900 -1.095 0.000 1.198 360 G CA 1.105 45.654 45.100 -0.919 0.000 0.780 360 G HN 0.188 nan 8.290 nan 0.000 0.565 361 M N 0.002 119.052 119.600 -0.918 0.000 2.213 361 M HA -0.080 4.445 4.480 0.075 0.000 0.263 361 M C 2.749 179.037 176.300 -0.021 0.000 1.062 361 M CA 1.168 56.230 55.300 -0.397 0.000 1.105 361 M CB -0.324 32.181 32.600 -0.159 0.000 1.385 361 M HN 0.319 nan 8.290 nan 0.000 0.417 362 Q N -0.539 119.293 119.800 0.052 0.000 2.084 362 Q HA -0.189 4.196 4.340 0.075 0.000 0.202 362 Q C 1.919 178.243 176.000 0.539 0.000 0.978 362 Q CA 1.505 57.493 55.803 0.309 0.000 0.844 362 Q CB -0.181 28.782 28.738 0.373 0.000 0.898 362 Q HN 0.467 nan 8.270 nan 0.000 0.426 363 Y N 0.875 121.260 120.300 0.142 0.000 2.089 363 Y HA -0.256 4.338 4.550 0.074 0.000 0.282 363 Y C 2.908 178.665 175.900 -0.238 0.000 1.139 363 Y CA 1.471 59.530 58.100 -0.068 0.000 1.123 363 Y CB -0.917 37.449 38.460 -0.156 0.000 0.980 363 Y HN 0.190 nan 8.280 nan 0.000 0.493 364 S N -1.090 114.688 115.700 0.129 0.000 2.368 364 S HA -0.275 4.240 4.470 0.075 0.000 0.225 364 S C 1.894 176.557 174.600 0.105 0.000 1.030 364 S CA 1.473 59.781 58.200 0.180 0.000 0.999 364 S CB -1.041 62.485 63.200 0.543 0.000 0.844 364 S HN 0.645 nan 8.310 nan 0.000 0.459 365 H N 1.873 120.999 119.070 0.093 0.000 2.352 365 H HA -0.026 4.574 4.556 0.074 0.000 0.299 365 H C 2.373 177.733 175.328 0.053 0.000 1.097 365 H CA 1.929 58.029 56.048 0.087 0.000 1.311 365 H CB -0.736 29.087 29.762 0.101 0.000 1.377 365 H HN 0.449 nan 8.280 nan 0.000 0.504 366 S N -0.574 115.131 115.700 0.009 0.000 2.356 366 S HA -0.127 4.388 4.470 0.075 0.000 0.223 366 S C 2.263 176.742 174.600 -0.200 0.000 1.032 366 S CA 1.516 59.736 58.200 0.034 0.000 1.005 366 S CB -0.469 63.039 63.200 0.514 0.000 0.867 366 S HN 0.510 nan 8.310 nan 0.000 0.449 367 I N 1.152 121.351 120.570 -0.618 0.000 2.163 367 I HA -0.189 4.026 4.170 0.075 0.000 0.243 367 I C 2.274 178.088 176.117 -0.504 0.000 1.085 367 I CA 1.465 62.218 61.300 -0.912 0.000 1.347 367 I CB -0.462 36.546 38.000 -1.653 0.000 1.044 367 I HN 0.338 nan 8.210 nan 0.000 0.408 368 I N 0.341 120.700 120.570 -0.351 0.000 2.179 368 I HA -0.280 3.935 4.170 0.075 0.000 0.242 368 I C 2.564 178.620 176.117 -0.102 0.000 1.088 368 I CA 1.645 62.889 61.300 -0.093 0.000 1.357 368 I CB -0.632 37.408 38.000 0.067 0.000 1.051 368 I HN 0.244 nan 8.210 nan 0.000 0.409 369 T N 0.344 114.799 114.554 -0.164 0.000 2.746 369 T HA -0.152 4.243 4.350 0.075 0.000 0.267 369 T C 1.668 176.399 174.700 0.052 0.000 1.039 369 T CA 1.517 63.575 62.100 -0.070 0.000 1.142 369 T CB -0.498 68.249 68.868 -0.200 0.000 0.866 369 T HN 0.399 nan 8.240 nan 0.000 0.444 370 N N 0.976 119.682 118.700 0.009 0.000 2.043 370 N HA -0.062 4.723 4.740 0.075 0.000 0.193 370 N C 1.920 177.442 175.510 0.019 0.000 1.037 370 N CA 1.140 54.227 53.050 0.062 0.000 0.851 370 N CB -0.341 38.214 38.487 0.113 0.000 1.027 370 N HN 0.282 nan 8.380 nan 0.000 0.422 371 L N 1.261 122.463 121.223 -0.035 0.000 2.042 371 L HA -0.178 4.207 4.340 0.075 0.000 0.210 371 L C 2.226 178.985 176.870 -0.186 0.000 1.076 371 L CA 0.984 55.789 54.840 -0.058 0.000 0.749 371 L CB -0.436 41.621 42.059 -0.003 0.000 0.893 371 L HN 0.226 nan 8.230 nan 0.000 0.432 372 L N -1.772 119.319 121.223 -0.219 0.000 2.362 372 L HA -0.174 4.211 4.340 0.075 0.000 0.219 372 L C 0.801 177.171 176.870 -0.835 0.000 1.134 372 L CA 0.862 55.417 54.840 -0.475 0.000 0.807 372 L CB -0.162 41.666 42.059 -0.384 0.000 0.927 372 L HN 0.259 nan 8.230 nan 0.000 0.447 373 Y N -1.203 118.883 120.300 -0.357 0.000 2.736 373 Y HA 0.226 4.823 4.550 0.078 0.000 0.293 373 Y C 0.420 176.174 175.900 -0.244 0.000 1.062 373 Y CA -0.591 57.285 58.100 -0.374 0.000 1.247 373 Y CB -0.255 38.145 38.460 -0.100 0.000 1.200 373 Y HN 0.151 nan 8.280 nan 0.000 0.552 374 H N -3.152 115.860 119.070 -0.097 0.000 3.628 374 H HA -0.142 4.458 4.556 0.075 0.000 0.173 374 H C 0.101 175.431 175.328 0.003 0.000 0.941 374 H CA 0.499 56.475 56.048 -0.120 0.000 1.224 374 H CB -1.614 27.963 29.762 -0.308 0.000 0.992 374 H HN 0.073 nan 8.280 nan 0.000 0.383 375 V N 2.824 122.799 119.914 0.102 0.000 2.655 375 V HA 0.031 4.196 4.120 0.075 0.000 0.300 375 V C 2.048 178.182 176.094 0.068 0.000 1.044 375 V CA 0.789 63.147 62.300 0.097 0.000 1.095 375 V CB 1.513 33.378 31.823 0.069 0.000 0.952 375 V HN 0.343 nan 8.190 nan 0.000 0.485 376 V N 1.509 121.485 119.914 0.103 0.000 3.590 376 V HA 0.645 4.810 4.120 0.075 0.000 0.265 376 V C 0.719 176.793 176.094 -0.034 0.000 1.239 376 V CA 1.017 63.369 62.300 0.087 0.000 1.117 376 V CB -0.239 31.689 31.823 0.174 0.000 0.818 376 V HN 1.019 nan 8.190 nan 0.000 0.451 377 G N -1.537 107.178 108.800 -0.142 0.000 2.506 377 G HA2 0.465 4.470 3.960 0.075 0.000 0.292 377 G HA3 0.465 4.470 3.960 0.075 0.000 0.292 377 G C -2.647 171.868 174.900 -0.642 0.000 1.425 377 G CA -0.505 44.291 45.100 -0.507 0.000 0.788 377 G HN 0.341 nan 8.290 nan 0.000 0.490 378 W N 0.496 121.291 121.300 -0.841 0.000 3.439 378 W HA 0.612 5.318 4.660 0.076 0.000 0.323 378 W C -0.915 175.326 176.519 -0.463 0.000 1.174 378 W CA -0.420 56.563 57.345 -0.603 0.000 1.224 378 W CB 2.379 31.664 29.460 -0.291 0.000 1.348 378 W HN 0.580 nan 8.180 nan 0.000 0.498 379 T N 4.167 118.352 114.554 -0.615 0.000 2.840 379 T HA 0.147 4.542 4.350 0.075 0.000 0.287 379 T C -0.719 173.594 174.700 -0.645 0.000 0.991 379 T CA -0.506 61.345 62.100 -0.416 0.000 0.964 379 T CB 1.409 70.141 68.868 -0.227 0.000 0.954 379 T HN 0.370 nan 8.240 nan 0.000 0.438 380 D N 1.108 121.318 120.400 -0.316 0.000 2.371 380 D HA 0.166 4.851 4.640 0.075 0.000 0.242 380 D C 0.328 176.609 176.300 -0.032 0.000 1.218 380 D CA -0.526 53.345 54.000 -0.215 0.000 0.945 380 D CB 0.861 41.755 40.800 0.157 0.000 1.137 380 D HN 0.550 nan 8.370 nan 0.000 0.464 381 W N 1.163 122.338 121.300 -0.209 0.000 1.677 381 W HA 0.128 4.833 4.660 0.075 0.000 0.641 381 W C 0.222 176.682 176.519 -0.098 0.000 1.432 381 W CA -0.708 56.553 57.345 -0.139 0.000 1.360 381 W CB 0.037 29.427 29.460 -0.116 0.000 3.422 381 W HN 0.229 nan 8.180 nan 0.000 0.773 382 N N 2.710 121.063 118.700 -0.578 0.000 2.217 382 N HA -0.134 4.651 4.740 0.075 0.000 0.268 382 N C 0.829 176.238 175.510 -0.169 0.000 1.290 382 N CA 0.656 53.360 53.050 -0.577 0.000 0.831 382 N CB 0.757 38.745 38.487 -0.831 0.000 1.057 382 N HN 0.331 nan 8.380 nan 0.000 0.481 383 L N 1.117 122.286 121.223 -0.089 0.000 2.191 383 L HA -0.064 4.321 4.340 0.075 0.000 0.212 383 L C 1.025 178.002 176.870 0.179 0.000 1.103 383 L CA 0.869 55.731 54.840 0.036 0.000 0.769 383 L CB -0.137 41.922 42.059 0.001 0.000 0.908 383 L HN 0.611 nan 8.230 nan 0.000 0.438 384 A N -0.717 122.129 122.820 0.044 0.000 2.566 384 A HA 0.736 5.101 4.320 0.075 0.000 0.297 384 A C -1.175 176.394 177.584 -0.026 0.000 1.059 384 A CA -0.493 51.570 52.037 0.043 0.000 0.691 384 A CB 1.318 20.340 19.000 0.037 0.000 1.282 384 A HN -0.018 nan 8.150 nan 0.000 0.401 385 L N 0.964 122.186 121.223 -0.002 0.000 2.277 385 L HA 0.533 4.917 4.340 0.075 0.000 0.254 385 L C -0.035 176.849 176.870 0.023 0.000 1.044 385 L CA -1.258 53.585 54.840 0.004 0.000 0.842 385 L CB 2.187 44.248 42.059 0.004 0.000 1.422 385 L HN 0.983 nan 8.230 nan 0.000 0.422 386 N N -0.583 118.128 118.700 0.019 0.000 2.405 386 N HA 0.330 5.114 4.740 0.075 0.000 0.269 386 N C -2.437 173.059 175.510 -0.023 0.000 1.249 386 N CA -1.771 51.279 53.050 0.001 0.000 0.974 386 N CB -0.157 38.321 38.487 -0.015 0.000 1.204 386 N HN 0.150 nan 8.380 nan 0.000 0.565 387 P HA -0.088 nan 4.420 nan 0.000 0.225 387 P C 0.611 177.845 177.300 -0.109 0.000 1.148 387 P CA 1.083 64.149 63.100 -0.055 0.000 0.779 387 P CB 0.161 31.840 31.700 -0.035 0.000 0.780 388 E N -0.386 119.703 120.200 -0.184 0.000 2.385 388 E HA 0.068 4.463 4.350 0.075 0.000 0.194 388 E C 0.866 177.244 176.600 -0.369 0.000 1.013 388 E CA 0.634 56.824 56.400 -0.350 0.000 0.866 388 E CB -0.428 28.932 29.700 -0.567 0.000 0.832 388 E HN 0.107 nan 8.360 nan 0.000 0.500 389 G N -0.074 108.633 108.800 -0.156 0.000 2.140 389 G HA2 -0.161 3.844 3.960 0.075 0.000 0.211 389 G HA3 -0.161 3.844 3.960 0.075 0.000 0.211 389 G C 0.143 175.224 174.900 0.302 0.000 1.013 389 G CA -0.029 45.118 45.100 0.079 0.000 0.705 389 G HN 0.601 nan 8.290 nan 0.000 0.508 390 G N -0.769 108.109 108.800 0.130 0.000 3.222 390 G HA2 0.893 4.898 3.960 0.075 0.000 0.263 390 G HA3 0.893 4.898 3.960 0.075 0.000 0.263 390 G C -2.874 172.158 174.900 0.220 0.000 1.312 390 G CA -0.601 44.708 45.100 0.349 0.000 0.934 390 G HN 0.227 nan 8.290 nan 0.000 0.577 391 P HA 0.207 nan 4.420 nan 0.000 0.274 391 P C -1.088 176.342 177.300 0.217 0.000 1.246 391 P CA -0.303 62.944 63.100 0.245 0.000 0.795 391 P CB 1.326 33.118 31.700 0.153 0.000 1.006 392 N N 1.311 120.082 118.700 0.119 0.000 2.648 392 N HA 0.023 4.808 4.740 0.075 0.000 0.272 392 N C 0.768 176.136 175.510 -0.237 0.000 1.118 392 N CA -0.544 52.320 53.050 -0.310 0.000 0.973 392 N CB 0.809 38.791 38.487 -0.842 0.000 1.565 392 N HN 0.558 nan 8.380 nan 0.000 0.542 393 W N 4.103 125.241 121.300 -0.269 0.000 2.525 393 W HA 0.034 4.739 4.660 0.075 0.000 0.259 393 W C 0.445 176.845 176.519 -0.199 0.000 1.253 393 W CA 0.915 58.157 57.345 -0.170 0.000 1.262 393 W CB -0.727 28.663 29.460 -0.115 0.000 1.122 393 W HN 0.250 nan 8.180 nan 0.000 0.607 394 V N -1.101 118.252 119.914 -0.935 0.000 3.376 394 V HA 0.397 4.562 4.120 0.075 0.000 0.313 394 V C 1.123 176.798 176.094 -0.698 0.000 1.393 394 V CA -0.397 61.376 62.300 -0.879 0.000 1.125 394 V CB -0.827 30.366 31.823 -1.050 0.000 1.037 394 V HN 0.188 nan 8.190 nan 0.000 0.440 395 R N 0.758 120.776 120.500 -0.804 0.000 3.758 395 R HA -0.235 4.150 4.340 0.075 0.000 0.299 395 R C 0.592 176.081 176.300 -1.351 0.000 1.182 395 R CA 1.109 56.418 56.100 -1.317 0.000 0.809 395 R CB -2.523 27.355 30.300 -0.703 0.000 1.249 395 R HN 0.810 nan 8.270 nan 0.000 0.497 396 N N 1.133 119.228 118.700 -1.010 0.000 3.243 396 N HA 0.050 4.835 4.740 0.075 0.000 0.310 396 N C -0.452 174.815 175.510 -0.404 0.000 1.313 396 N CA -0.146 52.536 53.050 -0.613 0.000 1.204 396 N CB 0.084 38.245 38.487 -0.543 0.000 1.483 396 N HN 0.102 nan 8.380 nan 0.000 0.553 397 F N 0.634 120.551 119.950 -0.056 0.000 2.506 397 F HA 0.148 4.720 4.527 0.075 0.000 0.351 397 F C 1.110 177.031 175.800 0.201 0.000 1.136 397 F CA -0.568 57.493 58.000 0.103 0.000 1.298 397 F CB 0.733 39.768 39.000 0.059 0.000 1.145 397 F HN -0.062 nan 8.300 nan 0.000 0.593 398 V N -1.471 118.755 119.914 0.520 0.000 3.103 398 V HA 0.591 4.756 4.120 0.075 0.000 0.311 398 V C -1.287 174.937 176.094 0.216 0.000 1.322 398 V CA -0.911 61.594 62.300 0.341 0.000 1.063 398 V CB 1.850 33.912 31.823 0.398 0.000 1.090 398 V HN 0.583 nan 8.190 nan 0.000 0.462 399 D N 0.049 120.550 120.400 0.167 0.000 2.387 399 D HA 0.735 5.420 4.640 0.075 0.000 0.255 399 D C -0.807 175.545 176.300 0.087 0.000 1.081 399 D CA 0.146 54.204 54.000 0.096 0.000 0.994 399 D CB 2.051 42.891 40.800 0.067 0.000 1.127 399 D HN 0.930 nan 8.370 nan 0.000 0.513 400 S N 0.245 115.980 115.700 0.058 0.000 2.546 400 S HA 0.431 4.946 4.470 0.075 0.000 0.272 400 S C -2.289 172.370 174.600 0.098 0.000 1.140 400 S CA -1.235 57.011 58.200 0.078 0.000 0.920 400 S CB 1.757 64.978 63.200 0.036 0.000 1.083 400 S HN 0.108 nan 8.310 nan 0.000 0.476 401 P HA 0.079 nan 4.420 nan 0.000 0.220 401 P C -0.337 177.069 177.300 0.177 0.000 1.144 401 P CA 1.161 64.374 63.100 0.187 0.000 0.800 401 P CB 0.030 31.944 31.700 0.357 0.000 0.772 402 I N -0.352 120.322 120.570 0.172 0.000 2.436 402 I HA 0.255 4.470 4.170 0.075 0.000 0.289 402 I C -0.456 175.725 176.117 0.106 0.000 1.010 402 I CA -0.958 60.403 61.300 0.102 0.000 1.098 402 I CB 2.225 40.226 38.000 0.001 0.000 1.266 402 I HN -0.303 nan 8.210 nan 0.000 0.434 403 I N 6.846 127.502 120.570 0.143 0.000 2.406 403 I HA 0.340 4.555 4.170 0.075 0.000 0.290 403 I C -0.049 176.141 176.117 0.121 0.000 0.999 403 I CA -0.777 60.605 61.300 0.137 0.000 1.124 403 I CB 1.870 39.969 38.000 0.164 0.000 1.289 403 I HN 0.125 nan 8.210 nan 0.000 0.441 404 V N 5.467 125.420 119.914 0.064 0.000 2.407 404 V HA 0.252 4.417 4.120 0.075 0.000 0.278 404 V C 0.043 176.150 176.094 0.023 0.000 1.037 404 V CA -0.437 61.881 62.300 0.029 0.000 0.900 404 V CB 1.647 33.477 31.823 0.012 0.000 0.983 404 V HN 0.588 nan 8.190 nan 0.000 0.459 405 D N 4.131 124.518 120.400 -0.022 0.000 2.479 405 D HA 0.250 4.935 4.640 0.075 0.000 0.247 405 D C 0.961 177.268 176.300 0.013 0.000 1.119 405 D CA -0.263 53.753 54.000 0.026 0.000 0.922 405 D CB 1.107 41.941 40.800 0.058 0.000 1.014 405 D HN 0.531 nan 8.370 nan 0.000 0.510 406 I N 2.355 122.938 120.570 0.022 0.000 2.194 406 I HA -0.302 3.913 4.170 0.075 0.000 0.246 406 I C 1.943 178.073 176.117 0.023 0.000 1.093 406 I CA 1.706 63.018 61.300 0.020 0.000 1.355 406 I CB 0.187 38.199 38.000 0.019 0.000 1.046 406 I HN 0.372 nan 8.210 nan 0.000 0.413 407 T N -2.507 112.065 114.554 0.030 0.000 3.051 407 T HA -0.106 4.289 4.350 0.075 0.000 0.269 407 T C 1.447 176.166 174.700 0.032 0.000 1.127 407 T CA 0.910 63.029 62.100 0.032 0.000 1.107 407 T CB -0.250 68.640 68.868 0.038 0.000 0.898 407 T HN 0.439 nan 8.240 nan 0.000 0.517 408 K N 0.359 120.777 120.400 0.030 0.000 2.438 408 K HA 0.162 4.526 4.320 0.075 0.000 0.206 408 K C 0.081 176.682 176.600 0.002 0.000 1.081 408 K CA 0.152 56.453 56.287 0.023 0.000 1.053 408 K CB 0.437 32.964 32.500 0.044 0.000 0.908 408 K HN 0.164 nan 8.250 nan 0.000 0.556 409 D N 2.058 122.461 120.400 0.006 0.000 2.692 409 D HA -0.153 4.532 4.640 0.075 0.000 0.233 409 D C -1.192 175.108 176.300 -0.001 0.000 1.172 409 D CA 1.082 55.090 54.000 0.013 0.000 0.636 409 D CB -0.757 40.054 40.800 0.020 0.000 1.028 409 D HN 0.094 nan 8.370 nan 0.000 0.419 410 T N 0.559 115.081 114.554 -0.053 0.000 2.893 410 T HA 0.679 5.074 4.350 0.075 0.000 0.291 410 T C -0.272 174.301 174.700 -0.212 0.000 1.028 410 T CA -0.691 61.295 62.100 -0.189 0.000 0.995 410 T CB 1.060 69.761 68.868 -0.279 0.000 1.051 410 T HN 0.203 nan 8.240 nan 0.000 0.470 411 F N 0.002 119.706 119.950 -0.409 0.000 2.577 411 F HA 0.814 5.385 4.527 0.075 0.000 0.318 411 F C -1.596 173.905 175.800 -0.498 0.000 1.065 411 F CA -1.591 56.141 58.000 -0.448 0.000 0.929 411 F CB 1.094 39.956 39.000 -0.230 0.000 1.237 411 F HN 0.475 nan 8.300 nan 0.000 0.468 412 Y N 1.300 121.662 120.300 0.104 0.000 2.335 412 Y HA 0.458 5.052 4.550 0.075 0.000 0.338 412 Y C -0.326 175.600 175.900 0.045 0.000 0.977 412 Y CA -1.141 56.979 58.100 0.033 0.000 1.114 412 Y CB 1.858 40.343 38.460 0.040 0.000 1.182 412 Y HN 0.418 nan 8.280 nan 0.000 0.463 413 K N 4.572 125.053 120.400 0.135 0.000 2.234 413 K HA 0.280 4.645 4.320 0.075 0.000 0.277 413 K C -0.472 176.283 176.600 0.257 0.000 1.038 413 K CA -0.614 55.675 56.287 0.004 0.000 0.888 413 K CB 1.225 33.471 32.500 -0.424 0.000 1.091 413 K HN 0.664 nan 8.250 nan 0.000 0.467 414 Q N 2.308 122.251 119.800 0.238 0.000 2.256 414 Q HA 0.124 4.509 4.340 0.075 0.000 0.232 414 Q C -1.755 174.497 176.000 0.420 0.000 0.965 414 Q CA -2.002 53.968 55.803 0.277 0.000 0.908 414 Q CB 0.586 29.409 28.738 0.142 0.000 1.209 414 Q HN 0.227 nan 8.270 nan 0.000 0.489 415 P HA -0.226 nan 4.420 nan 0.000 0.217 415 P C 1.203 178.669 177.300 0.276 0.000 1.151 415 P CA 1.781 65.130 63.100 0.415 0.000 0.849 415 P CB 0.083 31.909 31.700 0.209 0.000 0.787 416 M N -2.922 116.685 119.600 0.012 0.000 2.144 416 M HA -0.213 4.312 4.480 0.075 0.000 0.260 416 M C 2.033 178.387 176.300 0.090 0.000 1.067 416 M CA 1.853 57.048 55.300 -0.175 0.000 1.095 416 M CB -0.934 31.324 32.600 -0.569 0.000 1.365 416 M HN -0.070 nan 8.290 nan 0.000 0.406 417 F N 0.281 120.225 119.950 -0.009 0.000 2.069 417 F HA -0.282 4.290 4.527 0.076 0.000 0.298 417 F C 1.910 177.613 175.800 -0.162 0.000 1.113 417 F CA 1.762 59.679 58.000 -0.139 0.000 1.214 417 F CB -0.474 38.269 39.000 -0.429 0.000 0.978 417 F HN 0.014 nan 8.300 nan 0.000 0.474 418 Y N -0.719 119.766 120.300 0.309 0.000 2.263 418 Y HA -0.183 4.411 4.550 0.074 0.000 0.292 418 Y C 2.803 178.827 175.900 0.208 0.000 1.130 418 Y CA 1.694 59.939 58.100 0.242 0.000 1.179 418 Y CB -1.045 37.638 38.460 0.370 0.000 0.998 418 Y HN 0.157 nan 8.280 nan 0.000 0.532 419 H N -0.335 118.891 119.070 0.259 0.000 2.352 419 H HA -0.191 4.410 4.556 0.075 0.000 0.299 419 H C 2.338 177.806 175.328 0.234 0.000 1.097 419 H CA 1.885 58.043 56.048 0.184 0.000 1.311 419 H CB -0.358 29.423 29.762 0.032 0.000 1.377 419 H HN 0.340 nan 8.280 nan 0.000 0.504 420 L N 0.041 121.412 121.223 0.247 0.000 2.056 420 L HA -0.087 4.298 4.340 0.075 0.000 0.207 420 L C 2.781 179.656 176.870 0.009 0.000 1.078 420 L CA 1.059 55.980 54.840 0.133 0.000 0.749 420 L CB -0.493 41.676 42.059 0.183 0.000 0.901 420 L HN 0.279 nan 8.230 nan 0.000 0.433 421 G N -1.835 106.869 108.800 -0.160 0.000 2.450 421 G HA2 -0.283 3.722 3.960 0.075 0.000 0.220 421 G HA3 -0.283 3.722 3.960 0.075 0.000 0.220 421 G C 1.344 176.071 174.900 -0.287 0.000 1.130 421 G CA 0.489 45.396 45.100 -0.322 0.000 0.760 421 G HN 0.460 nan 8.290 nan 0.000 0.557 422 H N -0.760 118.219 119.070 -0.152 0.000 2.518 422 H HA -0.028 4.572 4.556 0.074 0.000 0.289 422 H C 1.884 176.958 175.328 -0.423 0.000 1.051 422 H CA 1.196 57.128 56.048 -0.195 0.000 1.280 422 H CB 0.083 29.658 29.762 -0.312 0.000 1.380 422 H HN 0.498 nan 8.280 nan 0.000 0.566 423 F N -0.243 119.588 119.950 -0.198 0.000 2.390 423 F HA -0.063 4.509 4.527 0.074 0.000 0.281 423 F C 2.844 178.243 175.800 -0.667 0.000 1.016 423 F CA 0.631 58.346 58.000 -0.474 0.000 1.286 423 F CB -0.615 37.865 39.000 -0.868 0.000 1.134 423 F HN -0.001 nan 8.300 nan 0.000 0.597 424 S N 0.525 115.891 115.700 -0.557 0.000 2.383 424 S HA -0.263 4.252 4.470 0.075 0.000 0.229 424 S C 1.970 176.401 174.600 -0.282 0.000 1.030 424 S CA 1.539 59.531 58.200 -0.347 0.000 1.002 424 S CB -0.654 62.521 63.200 -0.042 0.000 0.829 424 S HN 0.375 nan 8.310 nan 0.000 0.467 425 K N 0.131 120.187 120.400 -0.574 0.000 2.217 425 K HA 0.097 4.462 4.320 0.075 0.000 0.202 425 K C 0.719 176.813 176.600 -0.844 0.000 1.051 425 K CA 1.101 56.849 56.287 -0.898 0.000 0.952 425 K CB -0.113 31.432 32.500 -1.591 0.000 0.736 425 K HN 0.578 nan 8.250 nan 0.000 0.453 426 F N -0.382 119.451 119.950 -0.195 0.000 2.706 426 F HA 0.305 4.878 4.527 0.077 0.000 0.313 426 F C 0.136 175.955 175.800 0.032 0.000 1.096 426 F CA -0.562 57.384 58.000 -0.091 0.000 1.219 426 F CB 0.946 39.861 39.000 -0.141 0.000 1.051 426 F HN -0.192 nan 8.300 nan 0.000 0.568 427 I N 2.170 122.795 120.570 0.093 0.000 2.668 427 I HA 0.278 4.493 4.170 0.075 0.000 0.276 427 I C -2.577 173.584 176.117 0.073 0.000 1.139 427 I CA -2.025 59.354 61.300 0.131 0.000 1.133 427 I CB 0.574 38.759 38.000 0.307 0.000 1.327 427 I HN -0.243 nan 8.210 nan 0.000 0.520 428 P HA -0.011 nan 4.420 nan 0.000 0.269 428 P C 0.000 177.272 177.300 -0.047 0.000 1.215 428 P CA -0.195 62.839 63.100 -0.109 0.000 0.780 428 P CB 0.563 32.126 31.700 -0.229 0.000 0.898 429 E N 1.070 121.246 120.200 -0.039 0.000 2.608 429 E HA 0.111 4.506 4.350 0.075 0.000 0.259 429 E C 1.087 177.662 176.600 -0.042 0.000 0.951 429 E CA 1.119 57.486 56.400 -0.056 0.000 0.945 429 E CB -0.614 29.035 29.700 -0.085 0.000 0.916 429 E HN 0.756 nan 8.360 nan 0.000 0.477 430 G N 2.970 111.757 108.800 -0.022 0.000 2.195 430 G HA2 -0.276 3.729 3.960 0.075 0.000 0.246 430 G HA3 -0.276 3.729 3.960 0.075 0.000 0.246 430 G C 0.258 175.168 174.900 0.017 0.000 0.984 430 G CA 0.151 45.251 45.100 0.001 0.000 0.633 430 G HN 0.602 nan 8.290 nan 0.000 0.525 431 S N 0.102 115.810 115.700 0.014 0.000 2.573 431 S HA 0.438 4.953 4.470 0.075 0.000 0.277 431 S C 0.215 174.861 174.600 0.076 0.000 1.346 431 S CA 0.532 58.763 58.200 0.052 0.000 1.034 431 S CB 1.505 64.747 63.200 0.070 0.000 0.879 431 S HN 0.666 nan 8.310 nan 0.000 0.528 432 Q N 1.251 121.106 119.800 0.091 0.000 2.321 432 Q HA 0.383 4.768 4.340 0.075 0.000 0.270 432 Q C -0.488 175.586 176.000 0.124 0.000 1.032 432 Q CA -0.885 54.978 55.803 0.100 0.000 0.784 432 Q CB 1.106 29.891 28.738 0.078 0.000 1.264 432 Q HN 0.656 nan 8.270 nan 0.000 0.448 433 R N 2.403 122.996 120.500 0.155 0.000 2.537 433 R HA 0.325 4.710 4.340 0.075 0.000 0.280 433 R C -0.661 175.809 176.300 0.284 0.000 1.058 433 R CA -0.031 56.177 56.100 0.180 0.000 1.057 433 R CB 0.499 30.879 30.300 0.133 0.000 0.973 433 R HN 0.432 nan 8.270 nan 0.000 0.438 434 V N 1.100 121.165 119.914 0.251 0.000 3.155 434 V HA 0.788 4.952 4.120 0.075 0.000 0.313 434 V C 0.366 176.666 176.094 0.342 0.000 1.162 434 V CA -0.656 61.811 62.300 0.277 0.000 1.048 434 V CB 1.429 33.320 31.823 0.113 0.000 1.092 434 V HN 0.894 nan 8.190 nan 0.000 0.447 435 G N 0.319 109.332 108.800 0.354 0.000 2.491 435 G HA2 0.514 4.518 3.960 0.075 0.000 0.242 435 G HA3 0.514 4.518 3.960 0.075 0.000 0.242 435 G C -1.089 173.891 174.900 0.133 0.000 1.266 435 G CA -0.085 45.196 45.100 0.302 0.000 0.844 435 G HN 1.161 nan 8.290 nan 0.000 0.571 436 L N 2.383 123.652 121.223 0.076 0.000 2.580 436 L HA 0.521 4.906 4.340 0.075 0.000 0.266 436 L C -0.254 176.629 176.870 0.022 0.000 0.955 436 L CA -0.732 54.133 54.840 0.043 0.000 0.886 436 L CB 2.066 44.144 42.059 0.032 0.000 1.263 436 L HN 0.633 nan 8.230 nan 0.000 0.406 437 V N 1.876 121.805 119.914 0.024 0.000 2.715 437 V HA 1.045 5.210 4.120 0.075 0.000 0.310 437 V C 0.045 176.146 176.094 0.012 0.000 1.054 437 V CA -0.378 61.933 62.300 0.018 0.000 0.928 437 V CB 1.473 33.313 31.823 0.028 0.000 1.007 437 V HN 0.960 nan 8.190 nan 0.000 0.437 438 A N 2.392 125.218 122.820 0.011 0.000 2.324 438 A HA 0.701 5.066 4.320 0.075 0.000 0.330 438 A C 0.999 178.592 177.584 0.015 0.000 1.165 438 A CA 0.002 52.045 52.037 0.009 0.000 0.813 438 A CB 1.550 20.556 19.000 0.009 0.000 1.197 438 A HN 1.695 nan 8.150 nan 0.000 0.484 439 S N 0.791 116.500 115.700 0.016 0.000 2.496 439 S HA 0.097 4.612 4.470 0.075 0.000 0.224 439 S C 0.492 175.105 174.600 0.022 0.000 0.996 439 S CA 0.725 58.940 58.200 0.024 0.000 0.927 439 S CB -0.400 62.819 63.200 0.031 0.000 0.774 439 S HN 0.894 nan 8.310 nan 0.000 0.524 440 Q N -0.974 118.837 119.800 0.018 0.000 2.472 440 Q HA 0.648 5.033 4.340 0.075 0.000 0.281 440 Q C -1.027 174.983 176.000 0.016 0.000 0.997 440 Q CA -1.219 54.594 55.803 0.017 0.000 0.828 440 Q CB 1.022 29.769 28.738 0.016 0.000 1.443 440 Q HN 0.063 nan 8.270 nan 0.000 0.390 441 K N 1.290 121.701 120.400 0.018 0.000 2.524 441 K HA 0.247 4.612 4.320 0.075 0.000 0.279 441 K C -0.412 176.198 176.600 0.017 0.000 0.993 441 K CA 1.065 57.364 56.287 0.020 0.000 1.030 441 K CB -0.807 31.706 32.500 0.021 0.000 0.891 441 K HN 0.866 nan 8.250 nan 0.000 0.488 442 N N -1.158 117.554 118.700 0.019 0.000 2.825 442 N HA 0.379 5.164 4.740 0.075 0.000 0.253 442 N C -0.885 174.638 175.510 0.022 0.000 1.426 442 N CA -0.772 52.287 53.050 0.015 0.000 0.851 442 N CB 1.589 40.083 38.487 0.011 0.000 1.470 442 N HN 0.266 nan 8.380 nan 0.000 0.517 443 D N -0.171 120.239 120.400 0.017 0.000 2.363 443 D HA 0.218 4.903 4.640 0.075 0.000 0.214 443 D C -0.156 176.166 176.300 0.036 0.000 1.093 443 D CA 0.105 54.120 54.000 0.024 0.000 0.837 443 D CB 0.165 40.970 40.800 0.008 0.000 0.948 443 D HN 0.376 nan 8.370 nan 0.000 0.507 444 L N 0.980 122.225 121.223 0.036 0.000 2.375 444 L HA 0.254 4.639 4.340 0.075 0.000 0.271 444 L C 0.340 177.258 176.870 0.081 0.000 1.107 444 L CA -0.437 54.432 54.840 0.049 0.000 0.806 444 L CB 0.950 43.025 42.059 0.027 0.000 1.146 444 L HN -0.290 nan 8.230 nan 0.000 0.447 445 D N 2.236 122.705 120.400 0.114 0.000 2.233 445 D HA 0.606 5.291 4.640 0.075 0.000 0.240 445 D C -0.502 175.863 176.300 0.108 0.000 1.074 445 D CA 0.002 54.081 54.000 0.132 0.000 0.838 445 D CB 2.114 43.037 40.800 0.205 0.000 1.124 445 D HN 0.597 nan 8.370 nan 0.000 0.475 446 A N 1.655 124.524 122.820 0.082 0.000 2.486 446 A HA 0.669 5.034 4.320 0.075 0.000 0.300 446 A C -1.365 176.257 177.584 0.064 0.000 1.048 446 A CA -0.751 51.333 52.037 0.078 0.000 0.696 446 A CB 2.079 21.111 19.000 0.053 0.000 1.278 446 A HN 0.350 nan 8.150 nan 0.000 0.405 447 V N 0.796 120.764 119.914 0.089 0.000 2.932 447 V HA 0.843 5.008 4.120 0.075 0.000 0.307 447 V C -0.624 175.523 176.094 0.088 0.000 1.147 447 V CA 0.183 62.525 62.300 0.071 0.000 0.951 447 V CB 1.912 33.794 31.823 0.099 0.000 1.031 447 V HN 2.043 nan 8.190 nan 0.000 0.426 448 A N 6.346 129.207 122.820 0.067 0.000 2.342 448 A HA 0.985 5.350 4.320 0.075 0.000 0.323 448 A C -1.552 176.073 177.584 0.069 0.000 1.125 448 A CA -0.496 51.581 52.037 0.066 0.000 0.785 448 A CB 1.382 20.423 19.000 0.068 0.000 1.221 448 A HN 0.890 nan 8.150 nan 0.000 0.463 449 L N 1.079 122.331 121.223 0.049 0.000 2.359 449 L HA 0.678 5.063 4.340 0.075 0.000 0.256 449 L C -0.292 176.590 176.870 0.019 0.000 1.026 449 L CA -0.183 54.701 54.840 0.073 0.000 0.828 449 L CB 1.981 44.120 42.059 0.133 0.000 1.406 449 L HN 0.731 nan 8.230 nan 0.000 0.413 450 M N 0.493 120.125 119.600 0.054 0.000 2.253 450 M HA 0.423 4.948 4.480 0.075 0.000 0.314 450 M C -0.595 175.789 176.300 0.140 0.000 1.019 450 M CA -0.454 54.864 55.300 0.030 0.000 0.932 450 M CB 1.580 34.181 32.600 0.002 0.000 1.606 450 M HN 0.538 nan 8.290 nan 0.000 0.430 451 H N 2.805 121.857 119.070 -0.029 0.000 2.836 451 H HA -0.001 4.600 4.556 0.076 0.000 0.368 451 H C -1.581 173.755 175.328 0.013 0.000 1.164 451 H CA -1.116 54.935 56.048 0.005 0.000 1.425 451 H CB 0.456 30.223 29.762 0.009 0.000 1.414 451 H HN 0.430 nan 8.280 nan 0.000 0.614 452 P HA -0.206 nan 4.420 nan 0.000 0.217 452 P C 0.835 178.180 177.300 0.075 0.000 1.151 452 P CA 1.751 64.890 63.100 0.065 0.000 0.849 452 P CB 0.044 31.762 31.700 0.030 0.000 0.787 453 D N -2.204 118.261 120.400 0.108 0.000 2.363 453 D HA 0.051 4.736 4.640 0.075 0.000 0.226 453 D C 1.428 177.767 176.300 0.066 0.000 1.020 453 D CA 0.868 54.919 54.000 0.084 0.000 0.892 453 D CB -0.956 39.903 40.800 0.099 0.000 0.900 453 D HN 0.261 nan 8.370 nan 0.000 0.531 454 G N -0.163 108.677 108.800 0.067 0.000 2.194 454 G HA2 -0.280 3.725 3.960 0.075 0.000 0.236 454 G HA3 -0.280 3.725 3.960 0.075 0.000 0.236 454 G C 0.452 175.341 174.900 -0.018 0.000 0.987 454 G CA 0.367 45.482 45.100 0.026 0.000 0.635 454 G HN 0.855 nan 8.290 nan 0.000 0.520 455 S N 0.077 115.766 115.700 -0.018 0.000 2.600 455 S HA 0.792 5.307 4.470 0.075 0.000 0.265 455 S C 0.460 174.811 174.600 -0.414 0.000 1.325 455 S CA 0.618 58.719 58.200 -0.166 0.000 1.002 455 S CB 1.956 65.104 63.200 -0.087 0.000 0.921 455 S HN 1.932 nan 8.310 nan 0.000 0.554 456 A N 0.581 122.949 122.820 -0.752 0.000 2.320 456 A HA 0.767 5.132 4.320 0.075 0.000 0.334 456 A C -0.209 176.869 177.584 -0.844 0.000 1.147 456 A CA -0.598 50.871 52.037 -0.945 0.000 0.820 456 A CB 0.983 18.960 19.000 -1.704 0.000 1.218 456 A HN 1.861 nan 8.150 nan 0.000 0.482 457 V N -0.566 119.051 119.914 -0.495 0.000 2.686 457 V HA 0.801 4.966 4.120 0.075 0.000 0.306 457 V C -0.936 175.117 176.094 -0.069 0.000 1.065 457 V CA -0.683 61.485 62.300 -0.219 0.000 0.894 457 V CB 1.079 32.898 31.823 -0.007 0.000 1.004 457 V HN 0.701 nan 8.190 nan 0.000 0.424 458 V N 4.648 124.613 119.914 0.085 0.000 2.577 458 V HA 0.603 4.768 4.120 0.075 0.000 0.303 458 V C -0.220 175.989 176.094 0.191 0.000 1.042 458 V CA -0.513 61.889 62.300 0.171 0.000 0.872 458 V CB 2.001 33.980 31.823 0.260 0.000 0.998 458 V HN 0.844 nan 8.190 nan 0.000 0.423 459 V N 5.272 125.252 119.914 0.110 0.000 2.483 459 V HA 0.596 4.761 4.120 0.075 0.000 0.295 459 V C -0.305 175.850 176.094 0.101 0.000 1.035 459 V CA -0.612 61.707 62.300 0.033 0.000 0.896 459 V CB 1.908 33.571 31.823 -0.267 0.000 0.986 459 V HN 0.592 nan 8.190 nan 0.000 0.447 460 V N 5.808 125.791 119.914 0.115 0.000 2.443 460 V HA 0.457 4.622 4.120 0.075 0.000 0.293 460 V C -0.616 175.505 176.094 0.045 0.000 1.021 460 V CA -0.482 61.880 62.300 0.104 0.000 0.848 460 V CB 1.629 33.544 31.823 0.154 0.000 0.998 460 V HN 0.690 nan 8.190 nan 0.000 0.424 461 L N 4.777 126.046 121.223 0.078 0.000 2.296 461 L HA 0.664 5.048 4.340 0.075 0.000 0.286 461 L C -0.287 176.640 176.870 0.094 0.000 1.023 461 L CA 0.107 55.009 54.840 0.104 0.000 0.812 461 L CB 1.549 43.720 42.059 0.187 0.000 1.223 461 L HN 0.618 nan 8.230 nan 0.000 0.421 462 N N 4.110 122.860 118.700 0.084 0.000 2.558 462 N HA 0.319 5.104 4.740 0.075 0.000 0.242 462 N C 0.176 175.753 175.510 0.112 0.000 0.979 462 N CA -0.204 52.877 53.050 0.051 0.000 0.931 462 N CB 0.880 39.351 38.487 -0.027 0.000 1.122 462 N HN 0.665 nan 8.380 nan 0.000 0.508 463 R N 0.640 121.206 120.500 0.111 0.000 2.310 463 R HA 0.087 4.471 4.340 0.075 0.000 0.202 463 R C 0.466 176.816 176.300 0.084 0.000 0.933 463 R CA -0.002 56.205 56.100 0.178 0.000 1.054 463 R CB 0.144 30.522 30.300 0.131 0.000 0.985 463 R HN 0.573 nan 8.270 nan 0.000 0.489 464 S N -0.844 114.789 115.700 -0.113 0.000 2.713 464 S HA 0.143 4.658 4.470 0.075 0.000 0.283 464 S C 1.090 175.277 174.600 -0.689 0.000 1.161 464 S CA -0.615 57.444 58.200 -0.235 0.000 0.999 464 S CB 1.871 64.999 63.200 -0.121 0.000 1.039 464 S HN 0.110 nan 8.310 nan 0.000 0.548 465 S N -0.398 114.971 115.700 -0.552 0.000 2.558 465 S HA 0.209 4.724 4.470 0.075 0.000 0.217 465 S C 0.147 174.575 174.600 -0.286 0.000 0.975 465 S CA -0.164 57.687 58.200 -0.583 0.000 0.912 465 S CB -0.526 62.611 63.200 -0.105 0.000 0.776 465 S HN 0.662 nan 8.310 nan 0.000 0.526 466 K N 2.234 122.508 120.400 -0.210 0.000 2.183 466 K HA 0.375 4.739 4.320 0.075 0.000 0.274 466 K C -1.141 175.397 176.600 -0.103 0.000 1.009 466 K CA -0.566 55.653 56.287 -0.113 0.000 0.888 466 K CB 0.674 33.131 32.500 -0.071 0.000 1.078 466 K HN 0.061 nan 8.250 nan 0.000 0.459 467 D N 1.541 121.902 120.400 -0.066 0.000 2.424 467 D HA 0.080 4.765 4.640 0.075 0.000 0.244 467 D C -0.669 175.611 176.300 -0.034 0.000 1.134 467 D CA 0.024 53.997 54.000 -0.045 0.000 0.881 467 D CB 0.953 41.741 40.800 -0.020 0.000 1.191 467 D HN 0.007 nan 8.370 nan 0.000 0.445 468 V N 5.111 125.006 119.914 -0.032 0.000 2.357 468 V HA 0.270 4.435 4.120 0.075 0.000 0.281 468 V C -2.143 173.943 176.094 -0.013 0.000 1.015 468 V CA -1.580 60.706 62.300 -0.024 0.000 0.827 468 V CB 1.562 33.367 31.823 -0.030 0.000 1.018 468 V HN 0.437 nan 8.190 nan 0.000 0.432 469 P HA 0.463 nan 4.420 nan 0.000 0.272 469 P C -0.847 176.446 177.300 -0.011 0.000 1.223 469 P CA -0.109 62.993 63.100 0.004 0.000 0.784 469 P CB 1.507 33.214 31.700 0.012 0.000 0.923 470 L N -1.550 119.656 121.223 -0.028 0.000 2.775 470 L HA 0.739 5.124 4.340 0.075 0.000 0.263 470 L C -1.305 175.492 176.870 -0.121 0.000 1.017 470 L CA -0.622 54.179 54.840 -0.065 0.000 0.891 470 L CB 1.726 43.740 42.059 -0.074 0.000 1.482 470 L HN 0.149 nan 8.230 nan 0.000 0.410 471 T N 1.628 116.078 114.554 -0.173 0.000 2.863 471 T HA 0.716 5.111 4.350 0.075 0.000 0.285 471 T C -0.490 174.058 174.700 -0.253 0.000 1.009 471 T CA -0.266 61.681 62.100 -0.255 0.000 0.989 471 T CB 1.629 70.221 68.868 -0.460 0.000 1.004 471 T HN 0.530 nan 8.240 nan 0.000 0.455 472 I N 2.494 122.871 120.570 -0.321 0.000 2.378 472 I HA 0.430 4.645 4.170 0.075 0.000 0.291 472 I C 0.077 176.006 176.117 -0.312 0.000 0.992 472 I CA -0.814 60.294 61.300 -0.321 0.000 1.154 472 I CB 1.642 39.361 38.000 -0.469 0.000 1.315 472 I HN 0.369 nan 8.210 nan 0.000 0.448 473 K N 5.429 125.683 120.400 -0.244 0.000 2.265 473 K HA 0.262 4.627 4.320 0.075 0.000 0.267 473 K C -1.150 175.276 176.600 -0.289 0.000 0.994 473 K CA -0.506 55.535 56.287 -0.409 0.000 0.860 473 K CB 1.147 33.455 32.500 -0.320 0.000 1.099 473 K HN 0.451 nan 8.250 nan 0.000 0.448 474 D N 6.462 126.661 120.400 -0.336 0.000 2.414 474 D HA 0.202 4.887 4.640 0.075 0.000 0.232 474 D C -1.606 174.589 176.300 -0.175 0.000 1.070 474 D CA -2.488 51.456 54.000 -0.094 0.000 0.839 474 D CB 1.852 42.738 40.800 0.144 0.000 1.079 474 D HN 0.357 nan 8.370 nan 0.000 0.521 475 P HA -0.140 nan 4.420 nan 0.000 0.219 475 P C 0.993 178.258 177.300 -0.059 0.000 1.146 475 P CA 0.741 63.776 63.100 -0.108 0.000 0.808 475 P CB 0.328 31.999 31.700 -0.048 0.000 0.779 476 A N -0.386 122.428 122.820 -0.010 0.000 1.897 476 A HA -0.038 4.327 4.320 0.075 0.000 0.215 476 A C 2.228 179.824 177.584 0.021 0.000 1.181 476 A CA 1.929 53.980 52.037 0.023 0.000 0.620 476 A CB -0.980 18.058 19.000 0.065 0.000 0.821 476 A HN 0.147 nan 8.150 nan 0.000 0.443 477 V N -2.817 117.101 119.914 0.007 0.000 3.359 477 V HA 0.521 4.686 4.120 0.075 0.000 0.245 477 V C 1.245 177.296 176.094 -0.071 0.000 1.247 477 V CA 0.664 62.970 62.300 0.011 0.000 1.145 477 V CB -0.481 31.395 31.823 0.089 0.000 0.906 477 V HN 1.136 nan 8.190 nan 0.000 0.464 478 G N 0.312 108.989 108.800 -0.205 0.000 2.265 478 G HA2 0.017 4.022 3.960 0.075 0.000 0.246 478 G HA3 0.017 4.022 3.960 0.075 0.000 0.246 478 G C -1.316 173.269 174.900 -0.524 0.000 1.299 478 G CA -0.661 44.264 45.100 -0.292 0.000 1.117 478 G HN 0.076 nan 8.290 nan 0.000 0.485 479 F N -0.121 119.742 119.950 -0.145 0.000 2.480 479 F HA 0.775 5.314 4.527 0.020 0.000 0.329 479 F C 0.077 175.720 175.800 -0.261 0.000 1.091 479 F CA -0.804 57.069 58.000 -0.212 0.000 0.972 479 F CB 2.001 40.925 39.000 -0.127 0.000 1.150 479 F HN 0.293 nan 8.300 nan 0.000 0.467 480 L N 3.379 124.452 121.223 -0.249 0.000 2.298 480 L HA 0.389 4.774 4.340 0.075 0.000 0.284 480 L C -0.367 176.338 176.870 -0.275 0.000 1.013 480 L CA -0.569 54.029 54.840 -0.404 0.000 0.824 480 L CB 1.047 42.480 42.059 -1.043 0.000 1.221 480 L HN 0.424 nan 8.230 nan 0.000 0.418 481 E N 2.118 122.281 120.200 -0.060 0.000 2.167 481 E HA 0.546 4.941 4.350 0.075 0.000 0.284 481 E C -0.122 176.485 176.600 0.011 0.000 1.016 481 E CA -0.059 56.327 56.400 -0.024 0.000 0.817 481 E CB 2.146 31.877 29.700 0.051 0.000 1.080 481 E HN 0.563 nan 8.360 nan 0.000 0.397 482 T N 2.099 116.632 114.554 -0.035 0.000 2.618 482 T HA 0.615 5.010 4.350 0.075 0.000 0.293 482 T C -1.561 173.178 174.700 0.066 0.000 1.093 482 T CA -0.598 61.536 62.100 0.057 0.000 1.061 482 T CB 1.276 70.157 68.868 0.022 0.000 1.498 482 T HN 0.349 nan 8.240 nan 0.000 0.494 483 I N 1.724 122.381 120.570 0.145 0.000 2.692 483 I HA 0.530 4.745 4.170 0.075 0.000 0.293 483 I C -1.275 174.914 176.117 0.120 0.000 1.200 483 I CA -0.433 60.928 61.300 0.103 0.000 1.036 483 I CB 2.238 40.291 38.000 0.089 0.000 1.258 483 I HN 0.656 nan 8.210 nan 0.000 0.421 484 S N 8.875 124.571 115.700 -0.006 0.000 2.488 484 S HA 0.581 5.096 4.470 0.075 0.000 0.310 484 S C -2.562 171.978 174.600 -0.100 0.000 1.093 484 S CA -1.439 56.668 58.200 -0.154 0.000 1.129 484 S CB 0.505 63.626 63.200 -0.132 0.000 0.989 484 S HN 0.368 nan 8.310 nan 0.000 0.479 485 P HA 0.164 nan 4.420 nan 0.000 0.269 485 P C 0.438 177.701 177.300 -0.061 0.000 1.209 485 P CA 0.007 63.092 63.100 -0.024 0.000 0.776 485 P CB 0.284 32.008 31.700 0.039 0.000 0.876 486 G N 2.181 110.919 108.800 -0.103 0.000 2.287 486 G HA2 -0.078 3.927 3.960 0.075 0.000 0.235 486 G HA3 -0.078 3.927 3.960 0.075 0.000 0.235 486 G C -0.570 174.241 174.900 -0.147 0.000 1.258 486 G CA -0.077 44.871 45.100 -0.253 0.000 0.884 486 G HN 0.597 nan 8.290 nan 0.000 0.518 487 Y N -0.156 120.210 120.300 0.112 0.000 3.027 487 Y HA -0.242 4.354 4.550 0.076 0.000 0.195 487 Y C 1.230 177.275 175.900 0.242 0.000 1.381 487 Y CA 0.558 58.796 58.100 0.230 0.000 1.015 487 Y CB -2.013 36.456 38.460 0.016 0.000 1.329 487 Y HN 0.955 nan 8.280 nan 0.000 0.462 488 S N -0.142 115.765 115.700 0.345 0.000 2.632 488 S HA 0.893 5.408 4.470 0.075 0.000 0.289 488 S C -0.790 173.952 174.600 0.237 0.000 1.115 488 S CA -0.931 57.452 58.200 0.305 0.000 0.889 488 S CB 3.264 66.530 63.200 0.110 0.000 1.116 488 S HN 0.461 nan 8.310 nan 0.000 0.486 489 I N 0.980 121.632 120.570 0.137 0.000 2.569 489 I HA 0.523 4.738 4.170 0.075 0.000 0.290 489 I C -1.447 174.610 176.117 -0.101 0.000 1.088 489 I CA -0.579 60.633 61.300 -0.146 0.000 1.047 489 I CB 1.662 39.380 38.000 -0.471 0.000 1.237 489 I HN 0.896 nan 8.210 nan 0.000 0.421 490 H N 4.430 123.379 119.070 -0.202 0.000 2.572 490 H HA 0.463 5.063 4.556 0.074 0.000 0.359 490 H C -0.985 174.282 175.328 -0.101 0.000 1.134 490 H CA -0.981 54.982 56.048 -0.143 0.000 1.187 490 H CB 2.267 31.925 29.762 -0.173 0.000 1.597 490 H HN 0.418 nan 8.280 nan 0.000 0.524 491 T N 2.919 117.514 114.554 0.068 0.000 2.807 491 T HA 0.272 4.667 4.350 0.075 0.000 0.279 491 T C -0.959 173.577 174.700 -0.273 0.000 0.993 491 T CA -0.635 61.429 62.100 -0.061 0.000 0.970 491 T CB 0.523 69.317 68.868 -0.124 0.000 0.950 491 T HN 0.313 nan 8.240 nan 0.000 0.441 492 Y N 2.216 122.542 120.300 0.043 0.000 2.377 492 Y HA 0.676 5.275 4.550 0.082 0.000 0.339 492 Y C -0.060 175.913 175.900 0.122 0.000 1.011 492 Y CA -1.120 57.053 58.100 0.121 0.000 1.093 492 Y CB 1.265 39.819 38.460 0.157 0.000 1.201 492 Y HN 0.375 nan 8.280 nan 0.000 0.455 493 L N 3.377 124.781 121.223 0.301 0.000 2.408 493 L HA 0.612 4.997 4.340 0.075 0.000 0.268 493 L C -1.387 175.679 176.870 0.326 0.000 0.986 493 L CA -0.782 54.116 54.840 0.097 0.000 0.820 493 L CB 1.958 43.969 42.059 -0.080 0.000 1.303 493 L HN 0.823 nan 8.230 nan 0.000 0.411 494 W N 0.659 121.895 121.300 -0.108 0.000 3.363 494 W HA 0.504 5.207 4.660 0.071 0.000 0.306 494 W C -1.261 175.175 176.519 -0.138 0.000 1.253 494 W CA -0.784 56.506 57.345 -0.091 0.000 1.195 494 W CB 0.466 29.950 29.460 0.040 0.000 1.366 494 W HN 0.273 nan 8.180 nan 0.000 0.551 495 H N 2.484 121.655 119.070 0.168 0.000 2.683 495 H HA 0.324 4.924 4.556 0.074 0.000 0.339 495 H C 0.795 176.218 175.328 0.158 0.000 1.081 495 H CA 0.049 56.136 56.048 0.065 0.000 1.432 495 H CB 1.686 31.490 29.762 0.071 0.000 1.462 495 H HN 0.552 nan 8.280 nan 0.000 0.557 496 R N 1.698 122.319 120.500 0.201 0.000 2.362 496 R HA 0.041 4.426 4.340 0.075 0.000 0.227 496 R C -0.136 176.242 176.300 0.130 0.000 0.905 496 R CA 0.098 56.307 56.100 0.182 0.000 1.067 496 R CB 0.517 30.862 30.300 0.074 0.000 1.078 496 R HN 0.433 nan 8.270 nan 0.000 0.516 497 Q N 1.185 121.046 119.800 0.101 0.000 2.563 497 Q HA 0.478 4.862 4.340 0.075 0.000 0.232 497 Q C -0.577 175.451 176.000 0.046 0.000 1.106 497 Q CA -0.079 55.754 55.803 0.050 0.000 0.913 497 Q CB 1.478 30.222 28.738 0.009 0.000 1.175 497 Q HN 0.202 nan 8.270 nan 0.000 0.540 498 L N 0.000 121.257 121.223 0.057 0.000 2.949 498 L HA 0.000 4.385 4.340 0.075 0.000 0.249 498 L CA 0.000 nan 54.840 nan 0.000 0.813 498 L CB 0.000 nan 42.059 nan 0.000 0.961 498 L HN 0.000 nan 8.230 nan 0.000 0.502