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 3cyv_1_A DATA FIRST_RESID 3 DATA SEQUENCE ELKNDRYLRA LLRQPVDVTP VWMMRQAGRY LPEYKATRAQ AGDFMSLCKN DATA SEQUENCE AELACEVTLQ PLRRYPLDAA ILFSDILTVP DAMGLGLYFE AGEGPRFTSP DATA SEQUENCE VTCKADVDKL PIPDPEDELG YVMNAVRTIR HELKGEVPLI GFSGSPWTLA DATA SEQUENCE TYMVEGGSSK AFTVIKKMMY ADPQALHALL DKLAKSVTLY LNAQIKAGAQ DATA SEQUENCE AVMIFDTWGG VLTGRDYQQF SLYYMHKIVD GLLRENDGRR VPVTLFTKGG DATA SEQUENCE GQWLEAMAET GCDALGLDWT TDIADARRRV GNKVALQGNM DPSMLYAPPA DATA SEQUENCE RIEEEVATIL AGFGHGEGHV FNLGHGIHQD VPPEHAGVFV EAVHRLSEQY DATA SEQUENCE HR 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 3 E HA 0.000 nan 4.350 nan 0.000 0.291 3 E C 0.000 176.598 176.600 -0.004 0.000 1.382 3 E CA 0.000 56.399 56.400 -0.002 0.000 0.976 3 E CB 0.000 29.698 29.700 -0.003 0.000 0.812 4 L N 3.941 125.164 121.223 0.001 0.000 2.371 4 L HA 0.351 4.691 4.340 0.000 0.000 0.272 4 L C 0.231 177.102 176.870 0.003 0.000 1.124 4 L CA 0.017 54.859 54.840 0.004 0.000 0.816 4 L CB 0.703 42.768 42.059 0.010 0.000 1.129 4 L HN 0.634 nan 8.230 nan 0.000 0.448 5 K N 1.724 122.126 120.400 0.003 0.000 2.286 5 K HA 0.121 4.442 4.320 0.000 0.000 0.203 5 K C 0.471 177.074 176.600 0.004 0.000 1.078 5 K CA 0.094 56.382 56.287 0.001 0.000 0.957 5 K CB -0.012 32.487 32.500 -0.002 0.000 1.018 5 K HN 0.408 nan 8.250 nan 0.000 0.484 6 N N 1.627 120.334 118.700 0.012 0.000 2.430 6 N HA -0.026 4.714 4.740 0.000 0.000 0.265 6 N C -0.541 174.987 175.510 0.031 0.000 1.100 6 N CA 0.471 53.533 53.050 0.020 0.000 0.961 6 N CB 1.292 39.798 38.487 0.032 0.000 1.075 6 N HN 0.036 nan 8.380 nan 0.000 0.478 7 D N 3.109 123.521 120.400 0.020 0.000 2.431 7 D HA 0.157 4.797 4.640 0.000 0.000 0.235 7 D C 1.607 177.926 176.300 0.032 0.000 0.980 7 D CA 0.255 54.266 54.000 0.020 0.000 0.912 7 D CB 0.417 41.216 40.800 -0.001 0.000 1.056 7 D HN 0.485 nan 8.370 nan 0.000 0.494 8 R N -0.113 120.401 120.500 0.023 0.000 2.288 8 R HA -0.322 4.019 4.340 0.000 0.000 0.239 8 R C 2.134 178.482 176.300 0.081 0.000 1.109 8 R CA 2.265 58.382 56.100 0.028 0.000 0.896 8 R CB -1.176 29.139 30.300 0.025 0.000 0.967 8 R HN 0.298 nan 8.270 nan 0.000 0.420 9 Y N 1.166 121.475 120.300 0.014 0.000 2.014 9 Y HA -0.293 4.257 4.550 0.000 0.000 0.272 9 Y C 2.185 178.098 175.900 0.022 0.000 1.164 9 Y CA 1.972 60.092 58.100 0.033 0.000 1.114 9 Y CB -0.769 37.706 38.460 0.024 0.000 0.961 9 Y HN 0.036 nan 8.280 nan 0.000 0.489 10 L N 0.646 121.778 121.223 -0.152 0.000 2.043 10 L HA -0.240 4.100 4.340 0.000 0.000 0.212 10 L C 2.573 179.354 176.870 -0.149 0.000 1.075 10 L CA 1.729 56.438 54.840 -0.218 0.000 0.752 10 L CB -1.059 40.959 42.059 -0.068 0.000 0.891 10 L HN 0.251 nan 8.230 nan 0.000 0.432 11 R N -0.836 119.619 120.500 -0.076 0.000 2.061 11 R HA -0.053 4.287 4.340 0.000 0.000 0.230 11 R C 2.205 178.480 176.300 -0.042 0.000 1.140 11 R CA 1.389 57.462 56.100 -0.045 0.000 0.940 11 R CB -1.055 29.230 30.300 -0.025 0.000 0.839 11 R HN 0.367 nan 8.270 nan 0.000 0.429 12 A N 1.968 124.766 122.820 -0.037 0.000 1.892 12 A HA -0.170 4.150 4.320 0.000 0.000 0.218 12 A C 2.398 179.966 177.584 -0.026 0.000 1.188 12 A CA 1.469 53.504 52.037 -0.004 0.000 0.631 12 A CB -0.843 18.163 19.000 0.010 0.000 0.822 12 A HN 0.214 nan 8.150 nan 0.000 0.447 13 L N -1.121 120.028 121.223 -0.123 0.000 2.127 13 L HA -0.152 4.189 4.340 0.000 0.000 0.211 13 L C 1.849 178.682 176.870 -0.062 0.000 1.089 13 L CA 0.915 55.681 54.840 -0.125 0.000 0.757 13 L CB -0.399 41.494 42.059 -0.276 0.000 0.899 13 L HN 0.371 nan 8.230 nan 0.000 0.434 14 L N -0.841 120.348 121.223 -0.058 0.000 2.629 14 L HA 0.101 4.441 4.340 0.000 0.000 0.230 14 L C 0.675 177.550 176.870 0.009 0.000 1.151 14 L CA -0.058 54.766 54.840 -0.026 0.000 0.924 14 L CB -0.103 41.935 42.059 -0.034 0.000 1.137 14 L HN 0.178 nan 8.230 nan 0.000 0.457 15 R N 0.018 120.538 120.500 0.033 0.000 3.641 15 R HA -0.201 4.140 4.340 0.000 0.000 0.286 15 R C -0.262 176.079 176.300 0.067 0.000 1.153 15 R CA 0.577 56.720 56.100 0.073 0.000 0.775 15 R CB -1.879 28.464 30.300 0.071 0.000 1.215 15 R HN 0.493 nan 8.270 nan 0.000 0.474 16 Q N 0.984 120.812 119.800 0.047 0.000 2.256 16 Q HA 0.361 4.701 4.340 0.000 0.000 0.257 16 Q C -2.101 173.930 176.000 0.052 0.000 0.936 16 Q CA -2.365 53.462 55.803 0.040 0.000 0.903 16 Q CB 1.341 30.087 28.738 0.014 0.000 1.263 16 Q HN -0.052 nan 8.270 nan 0.000 0.440 17 P HA -0.114 nan 4.420 nan 0.000 0.264 17 P C -0.748 176.549 177.300 -0.005 0.000 1.173 17 P CA 0.391 63.531 63.100 0.067 0.000 0.761 17 P CB 0.410 32.148 31.700 0.064 0.000 0.794 18 V N -0.861 119.000 119.914 -0.089 0.000 3.114 18 V HA 0.337 4.458 4.120 0.000 0.000 0.308 18 V C 1.052 176.919 176.094 -0.379 0.000 1.168 18 V CA -0.781 61.383 62.300 -0.226 0.000 1.015 18 V CB 2.005 33.671 31.823 -0.263 0.000 1.050 18 V HN 0.511 nan 8.190 nan 0.000 0.433 19 D N 0.867 121.110 120.400 -0.262 0.000 2.162 19 D HA 0.021 4.661 4.640 0.000 0.000 0.203 19 D C 0.658 176.827 176.300 -0.218 0.000 0.967 19 D CA 0.925 54.818 54.000 -0.179 0.000 0.840 19 D CB 0.429 41.169 40.800 -0.100 0.000 0.972 19 D HN 0.414 nan 8.370 nan 0.000 0.482 20 V N -0.224 119.504 119.914 -0.309 0.000 3.159 20 V HA 0.278 4.398 4.120 0.000 0.000 0.308 20 V C -0.202 175.797 176.094 -0.159 0.000 1.190 20 V CA -0.986 61.235 62.300 -0.131 0.000 1.037 20 V CB 2.134 33.883 31.823 -0.123 0.000 1.060 20 V HN -0.028 nan 8.190 nan 0.000 0.437 21 T N 4.825 119.461 114.554 0.136 0.000 2.913 21 T HA 0.343 4.693 4.350 0.000 0.000 0.297 21 T C -2.477 172.272 174.700 0.082 0.000 1.029 21 T CA -0.517 61.676 62.100 0.155 0.000 1.104 21 T CB 1.198 70.187 68.868 0.202 0.000 0.964 21 T HN 0.544 nan 8.240 nan 0.000 0.532 22 P HA 0.533 nan 4.420 nan 0.000 0.282 22 P C -1.341 176.059 177.300 0.167 0.000 1.259 22 P CA -0.589 62.602 63.100 0.153 0.000 0.826 22 P CB 1.145 32.962 31.700 0.195 0.000 1.064 23 V N -1.387 118.662 119.914 0.226 0.000 3.049 23 V HA 0.824 4.944 4.120 0.000 0.000 0.309 23 V C -0.912 175.357 176.094 0.290 0.000 1.148 23 V CA -0.727 61.676 62.300 0.171 0.000 0.990 23 V CB 2.432 34.247 31.823 -0.014 0.000 1.039 23 V HN 0.936 nan 8.190 nan 0.000 0.430 24 W N 2.435 123.770 121.300 0.057 0.000 3.700 24 W HA 0.723 5.383 4.660 0.000 0.000 0.279 24 W C -2.670 173.872 176.519 0.039 0.000 1.270 24 W CA -1.079 56.273 57.345 0.011 0.000 1.216 24 W CB 1.342 30.739 29.460 -0.106 0.000 1.292 24 W HN 0.659 nan 8.180 nan 0.000 0.557 25 M N 4.303 123.985 119.600 0.136 0.000 2.364 25 M HA 0.409 4.889 4.480 0.000 0.000 0.334 25 M C 0.149 176.402 176.300 -0.079 0.000 1.107 25 M CA -0.956 54.247 55.300 -0.162 0.000 0.988 25 M CB 2.260 34.753 32.600 -0.178 0.000 1.673 25 M HN 0.300 nan 8.290 nan 0.000 0.441 26 M N 2.142 121.543 119.600 -0.331 0.000 2.238 26 M HA 0.113 4.593 4.480 0.000 0.000 0.350 26 M C 0.231 176.521 176.300 -0.016 0.000 1.321 26 M CA 0.587 55.839 55.300 -0.079 0.000 1.097 26 M CB 0.114 32.634 32.600 -0.134 0.000 1.713 26 M HN 0.604 nan 8.290 nan 0.000 0.455 27 R N 1.160 121.707 120.500 0.079 0.000 3.332 27 R HA -0.194 4.147 4.340 0.000 0.000 0.263 27 R C 0.853 177.194 176.300 0.068 0.000 1.053 27 R CA 1.007 57.125 56.100 0.029 0.000 0.705 27 R CB -1.776 28.488 30.300 -0.061 0.000 1.166 27 R HN 0.815 nan 8.270 nan 0.000 0.427 28 Q N -1.447 118.456 119.800 0.172 0.000 2.435 28 Q HA 0.156 4.496 4.340 0.000 0.000 0.207 28 Q C 0.500 176.721 176.000 0.369 0.000 0.956 28 Q CA 1.151 57.119 55.803 0.275 0.000 0.917 28 Q CB 0.545 29.456 28.738 0.289 0.000 0.997 28 Q HN 0.406 nan 8.270 nan 0.000 0.497 29 A N 1.142 124.114 122.820 0.253 0.000 2.880 29 A HA 0.662 4.982 4.320 0.000 0.000 0.328 29 A C -0.056 177.478 177.584 -0.084 0.000 1.440 29 A CA -0.029 52.130 52.037 0.203 0.000 1.068 29 A CB 0.149 19.366 19.000 0.362 0.000 1.163 29 A HN 0.371 nan 8.150 nan 0.000 0.510 30 G N -0.214 108.386 108.800 -0.333 0.000 2.727 30 G HA2 0.460 4.420 3.960 0.000 0.000 0.289 30 G HA3 0.460 4.420 3.960 0.000 0.000 0.289 30 G C 0.278 174.694 174.900 -0.806 0.000 1.418 30 G CA -0.794 43.859 45.100 -0.745 0.000 0.818 30 G HN 0.414 nan 8.290 nan 0.000 0.486 31 R N -0.964 119.256 120.500 -0.467 0.000 2.200 31 R HA -0.143 4.197 4.340 0.000 0.000 0.234 31 R C 2.124 178.475 176.300 0.085 0.000 1.127 31 R CA 2.017 58.120 56.100 0.005 0.000 0.989 31 R CB -0.556 29.801 30.300 0.096 0.000 0.869 31 R HN 0.707 nan 8.270 nan 0.000 0.459 32 Y N -0.528 119.741 120.300 -0.052 0.000 2.465 32 Y HA -0.025 4.525 4.550 0.000 0.000 0.289 32 Y C 0.325 176.259 175.900 0.056 0.000 1.150 32 Y CA 0.155 58.263 58.100 0.013 0.000 1.293 32 Y CB -0.124 38.331 38.460 -0.008 0.000 0.977 32 Y HN -0.102 nan 8.280 nan 0.000 0.556 33 L N 4.103 125.018 121.223 -0.513 0.000 2.255 33 L HA 0.207 4.547 4.340 0.000 0.000 0.289 33 L C -1.200 175.626 176.870 -0.073 0.000 1.046 33 L CA -2.178 52.424 54.840 -0.396 0.000 0.816 33 L CB 1.324 43.117 42.059 -0.443 0.000 1.197 33 L HN -0.029 nan 8.230 nan 0.000 0.427 34 P HA -0.256 nan 4.420 nan 0.000 0.216 34 P C 0.989 178.287 177.300 -0.004 0.000 1.154 34 P CA 1.490 64.589 63.100 -0.002 0.000 0.865 34 P CB 0.131 31.824 31.700 -0.010 0.000 0.789 35 E N -0.297 119.887 120.200 -0.027 0.000 2.265 35 E HA -0.221 4.129 4.350 0.000 0.000 0.196 35 E C 2.159 178.733 176.600 -0.042 0.000 0.996 35 E CA 0.969 57.345 56.400 -0.040 0.000 0.832 35 E CB -1.400 28.269 29.700 -0.051 0.000 0.756 35 E HN 0.362 nan 8.360 nan 0.000 0.491 36 Y N 2.126 122.356 120.300 -0.116 0.000 2.184 36 Y HA -0.020 4.530 4.550 0.000 0.000 0.290 36 Y C 2.200 178.046 175.900 -0.089 0.000 1.129 36 Y CA 1.787 59.815 58.100 -0.119 0.000 1.144 36 Y CB -0.037 38.353 38.460 -0.116 0.000 0.995 36 Y HN -0.161 nan 8.280 nan 0.000 0.513 37 K N 0.257 120.703 120.400 0.078 0.000 2.218 37 K HA -0.209 4.111 4.320 0.000 0.000 0.205 37 K C 2.186 178.717 176.600 -0.114 0.000 1.046 37 K CA 1.000 57.297 56.287 0.016 0.000 0.933 37 K CB -0.299 32.255 32.500 0.090 0.000 0.728 37 K HN 0.484 nan 8.250 nan 0.000 0.454 38 A N 0.715 123.464 122.820 -0.118 0.000 1.832 38 A HA -0.123 4.198 4.320 0.000 0.000 0.214 38 A C 2.228 179.710 177.584 -0.169 0.000 1.204 38 A CA 1.873 53.842 52.037 -0.113 0.000 0.606 38 A CB -1.029 17.921 19.000 -0.083 0.000 0.849 38 A HN 0.209 nan 8.150 nan 0.000 0.445 39 T N -0.460 113.957 114.554 -0.227 0.000 2.737 39 T HA -0.202 4.148 4.350 0.000 0.000 0.269 39 T C 1.991 176.507 174.700 -0.307 0.000 1.040 39 T CA 1.757 63.704 62.100 -0.255 0.000 1.142 39 T CB -0.293 68.399 68.868 -0.294 0.000 0.861 39 T HN 0.536 nan 8.240 nan 0.000 0.456 40 R N 0.720 120.962 120.500 -0.429 0.000 2.152 40 R HA 0.025 4.365 4.340 0.000 0.000 0.232 40 R C 2.359 178.555 176.300 -0.174 0.000 1.117 40 R CA 1.188 57.068 56.100 -0.367 0.000 0.981 40 R CB -0.264 29.777 30.300 -0.431 0.000 0.870 40 R HN 0.387 nan 8.270 nan 0.000 0.451 41 A N 0.098 122.833 122.820 -0.142 0.000 2.072 41 A HA -0.060 4.260 4.320 0.000 0.000 0.216 41 A C 1.809 179.349 177.584 -0.073 0.000 1.156 41 A CA 0.581 52.572 52.037 -0.077 0.000 0.701 41 A CB -0.053 18.911 19.000 -0.060 0.000 0.816 41 A HN 0.432 nan 8.150 nan 0.000 0.458 42 Q N -0.571 119.170 119.800 -0.098 0.000 2.187 42 Q HA 0.022 4.362 4.340 0.000 0.000 0.199 42 Q C 2.292 178.246 176.000 -0.076 0.000 0.957 42 Q CA 1.104 56.858 55.803 -0.081 0.000 0.857 42 Q CB -0.265 28.418 28.738 -0.093 0.000 0.929 42 Q HN 0.653 nan 8.270 nan 0.000 0.453 43 A N 0.090 122.852 122.820 -0.097 0.000 1.968 43 A HA 0.171 4.491 4.320 0.000 0.000 0.217 43 A C 1.637 179.193 177.584 -0.047 0.000 1.169 43 A CA 1.566 53.554 52.037 -0.081 0.000 0.638 43 A CB -0.358 18.573 19.000 -0.116 0.000 0.812 43 A HN 0.492 nan 8.150 nan 0.000 0.446 44 G N -0.331 108.447 108.800 -0.036 0.000 4.024 44 G HA2 -0.201 3.760 3.960 0.000 0.000 0.206 44 G HA3 -0.201 3.760 3.960 0.000 0.000 0.206 44 G C -0.073 174.841 174.900 0.023 0.000 1.608 44 G CA 0.491 45.587 45.100 -0.007 0.000 1.221 44 G HN 1.098 nan 8.290 nan 0.000 0.623 45 D N -0.017 120.411 120.400 0.046 0.000 2.477 45 D HA 0.607 5.247 4.640 0.000 0.000 0.234 45 D C 0.932 177.317 176.300 0.142 0.000 1.048 45 D CA -0.583 53.485 54.000 0.114 0.000 0.959 45 D CB 1.171 42.054 40.800 0.138 0.000 1.408 45 D HN 0.304 nan 8.370 nan 0.000 0.496 46 F N 0.770 120.760 119.950 0.067 0.000 2.126 46 F HA -0.196 4.332 4.527 0.001 0.000 0.299 46 F C 2.348 178.209 175.800 0.102 0.000 1.096 46 F CA 1.916 59.953 58.000 0.062 0.000 1.255 46 F CB -0.124 38.844 39.000 -0.053 0.000 0.997 46 F HN 0.325 nan 8.300 nan 0.000 0.479 47 M N 0.302 120.102 119.600 0.332 0.000 2.089 47 M HA -0.262 4.218 4.480 0.000 0.000 0.257 47 M C 2.203 178.538 176.300 0.058 0.000 1.071 47 M CA 2.359 57.829 55.300 0.283 0.000 1.096 47 M CB -0.994 31.794 32.600 0.314 0.000 1.330 47 M HN 0.075 nan 8.290 nan 0.000 0.403 48 S N -0.041 115.672 115.700 0.022 0.000 2.436 48 S HA 0.029 4.499 4.470 0.000 0.000 0.228 48 S C 1.859 176.421 174.600 -0.064 0.000 1.014 48 S CA 0.847 59.025 58.200 -0.037 0.000 0.950 48 S CB -0.464 62.720 63.200 -0.026 0.000 0.784 48 S HN 0.595 nan 8.310 nan 0.000 0.504 49 L N 0.715 121.879 121.223 -0.099 0.000 2.083 49 L HA -0.146 4.194 4.340 0.000 0.000 0.209 49 L C 2.433 179.279 176.870 -0.040 0.000 1.083 49 L CA 1.281 56.037 54.840 -0.139 0.000 0.752 49 L CB -0.342 41.562 42.059 -0.257 0.000 0.899 49 L HN 0.463 nan 8.230 nan 0.000 0.433 50 C N -0.015 119.249 119.300 -0.060 0.000 2.456 50 C HA -0.061 4.399 4.460 0.000 0.000 0.279 50 C C 2.462 177.556 174.990 0.173 0.000 1.427 50 C CA 0.471 59.531 59.018 0.071 0.000 1.778 50 C CB -0.821 26.871 27.740 -0.080 0.000 1.842 50 C HN 0.396 nan 8.230 nan 0.000 0.531 51 K N 0.110 120.529 120.400 0.033 0.000 2.361 51 K HA 0.092 4.412 4.320 0.000 0.000 0.194 51 K C 0.346 176.961 176.600 0.026 0.000 1.032 51 K CA -0.078 56.174 56.287 -0.057 0.000 1.048 51 K CB -0.038 32.241 32.500 -0.368 0.000 0.842 51 K HN 0.367 nan 8.250 nan 0.000 0.526 52 N N 1.138 119.853 118.700 0.025 0.000 2.420 52 N HA 0.117 4.857 4.740 0.000 0.000 0.249 52 N C 0.388 175.927 175.510 0.049 0.000 1.033 52 N CA -0.001 53.059 53.050 0.017 0.000 0.944 52 N CB 1.557 40.031 38.487 -0.023 0.000 1.113 52 N HN 0.051 nan 8.380 nan 0.000 0.502 53 A N 4.389 127.246 122.820 0.061 0.000 1.883 53 A HA -0.183 4.137 4.320 0.000 0.000 0.217 53 A C 1.788 179.396 177.584 0.040 0.000 1.186 53 A CA 1.517 53.593 52.037 0.065 0.000 0.624 53 A CB -0.293 18.743 19.000 0.060 0.000 0.822 53 A HN 0.737 nan 8.150 nan 0.000 0.444 54 E N 0.256 120.467 120.200 0.019 0.000 2.038 54 E HA -0.151 4.199 4.350 0.000 0.000 0.195 54 E C 1.931 178.524 176.600 -0.013 0.000 1.000 54 E CA 1.469 57.872 56.400 0.005 0.000 0.803 54 E CB -0.390 29.306 29.700 -0.006 0.000 0.750 54 E HN 0.632 nan 8.360 nan 0.000 0.448 55 L N 0.116 121.319 121.223 -0.033 0.000 2.109 55 L HA -0.043 4.297 4.340 0.000 0.000 0.207 55 L C 2.421 179.237 176.870 -0.091 0.000 1.086 55 L CA 0.833 55.626 54.840 -0.079 0.000 0.760 55 L CB -0.523 41.472 42.059 -0.107 0.000 0.910 55 L HN 0.149 nan 8.230 nan 0.000 0.437 56 A N -0.596 122.212 122.820 -0.020 0.000 1.902 56 A HA -0.278 4.043 4.320 0.000 0.000 0.217 56 A C 2.511 180.139 177.584 0.074 0.000 1.181 56 A CA 1.893 53.967 52.037 0.062 0.000 0.623 56 A CB -1.185 17.922 19.000 0.178 0.000 0.818 56 A HN 0.581 nan 8.150 nan 0.000 0.443 57 C N -0.594 118.738 119.300 0.053 0.000 2.473 57 C HA -0.087 4.373 4.460 0.000 0.000 0.279 57 C C 2.684 177.690 174.990 0.025 0.000 1.250 57 C CA 1.795 60.846 59.018 0.054 0.000 1.713 57 C CB -0.897 26.870 27.740 0.045 0.000 2.066 57 C HN 0.732 nan 8.230 nan 0.000 0.474 58 E N 1.041 121.235 120.200 -0.009 0.000 2.108 58 E HA -0.230 4.120 4.350 0.000 0.000 0.203 58 E C 1.984 178.565 176.600 -0.033 0.000 1.022 58 E CA 3.128 59.511 56.400 -0.029 0.000 0.823 58 E CB -0.662 29.004 29.700 -0.057 0.000 0.744 58 E HN 0.691 nan 8.360 nan 0.000 0.456 59 V N -2.008 117.865 119.914 -0.068 0.000 2.626 59 V HA -0.106 4.014 4.120 0.000 0.000 0.252 59 V C 2.033 178.164 176.094 0.062 0.000 1.067 59 V CA 2.079 64.352 62.300 -0.045 0.000 1.081 59 V CB -0.966 30.725 31.823 -0.220 0.000 0.686 59 V HN 0.235 nan 8.190 nan 0.000 0.468 60 T N 0.904 115.506 114.554 0.081 0.000 2.985 60 T HA 0.133 4.483 4.350 0.000 0.000 0.266 60 T C 1.643 176.393 174.700 0.084 0.000 1.076 60 T CA 1.359 63.533 62.100 0.125 0.000 1.135 60 T CB -0.132 68.816 68.868 0.133 0.000 0.890 60 T HN 0.356 nan 8.240 nan 0.000 0.480 61 L N 1.012 122.266 121.223 0.051 0.000 2.307 61 L HA 0.194 4.534 4.340 0.000 0.000 0.211 61 L C 2.460 179.343 176.870 0.022 0.000 1.099 61 L CA 1.109 55.968 54.840 0.032 0.000 0.816 61 L CB -0.654 41.413 42.059 0.014 0.000 0.952 61 L HN 0.227 nan 8.230 nan 0.000 0.455 62 Q N -0.061 119.751 119.800 0.021 0.000 2.112 62 Q HA -0.207 4.133 4.340 0.000 0.000 0.206 62 Q C -0.468 175.532 176.000 -0.000 0.000 0.987 62 Q CA 1.775 57.576 55.803 -0.003 0.000 0.858 62 Q CB -1.326 27.412 28.738 -0.000 0.000 0.905 62 Q HN 0.422 nan 8.270 nan 0.000 0.420 63 P HA -0.134 nan 4.420 nan 0.000 0.217 63 P C 1.123 178.493 177.300 0.117 0.000 1.150 63 P CA 1.070 64.281 63.100 0.184 0.000 0.832 63 P CB -0.057 31.816 31.700 0.289 0.000 0.787 64 L N -1.645 119.625 121.223 0.077 0.000 2.362 64 L HA -0.070 4.270 4.340 0.000 0.000 0.219 64 L C 1.977 178.838 176.870 -0.015 0.000 1.134 64 L CA 1.057 55.928 54.840 0.051 0.000 0.807 64 L CB -0.446 41.639 42.059 0.043 0.000 0.927 64 L HN -0.155 nan 8.230 nan 0.000 0.447 65 R N -0.797 119.665 120.500 -0.064 0.000 2.317 65 R HA 0.080 4.420 4.340 0.000 0.000 0.208 65 R C 1.871 178.061 176.300 -0.184 0.000 0.914 65 R CA 0.381 56.424 56.100 -0.095 0.000 1.060 65 R CB 0.090 30.344 30.300 -0.077 0.000 1.015 65 R HN 0.220 nan 8.270 nan 0.000 0.498 66 R N -1.855 118.440 120.500 -0.343 0.000 2.215 66 R HA 0.227 4.568 4.340 0.000 0.000 0.190 66 R C -0.489 175.407 176.300 -0.673 0.000 0.968 66 R CA 0.421 56.117 56.100 -0.673 0.000 1.122 66 R CB 0.640 30.186 30.300 -1.256 0.000 1.151 66 R HN 0.042 nan 8.270 nan 0.000 0.582 67 Y N 0.434 120.768 120.300 0.056 0.000 2.338 67 Y HA 0.407 4.957 4.550 0.000 0.000 0.333 67 Y C -2.402 173.530 175.900 0.054 0.000 0.968 67 Y CA -3.267 54.866 58.100 0.055 0.000 1.123 67 Y CB 1.397 39.904 38.460 0.078 0.000 1.165 67 Y HN -0.169 nan 8.280 nan 0.000 0.452 68 P HA 0.114 nan 4.420 nan 0.000 0.256 68 P C -0.720 176.687 177.300 0.179 0.000 1.688 68 P CA 0.273 63.460 63.100 0.145 0.000 1.162 68 P CB -0.019 31.765 31.700 0.140 0.000 1.870 69 L N 2.167 123.496 121.223 0.177 0.000 2.371 69 L HA 0.180 4.521 4.340 0.000 0.000 0.272 69 L C 1.464 178.426 176.870 0.154 0.000 1.124 69 L CA -0.013 54.934 54.840 0.179 0.000 0.816 69 L CB 0.706 42.887 42.059 0.204 0.000 1.129 69 L HN 0.235 nan 8.230 nan 0.000 0.448 70 D N 2.438 122.945 120.400 0.178 0.000 2.378 70 D HA 0.118 4.758 4.640 0.000 0.000 0.227 70 D C 0.286 176.593 176.300 0.011 0.000 1.012 70 D CA 0.447 54.525 54.000 0.129 0.000 0.905 70 D CB 0.487 41.398 40.800 0.185 0.000 0.895 70 D HN 0.544 nan 8.370 nan 0.000 0.532 71 A N 0.159 122.927 122.820 -0.087 0.000 2.599 71 A HA 0.627 4.947 4.320 0.000 0.000 0.294 71 A C -1.620 175.774 177.584 -0.316 0.000 1.055 71 A CA -0.538 51.293 52.037 -0.345 0.000 0.683 71 A CB 1.549 19.961 19.000 -0.980 0.000 1.278 71 A HN 0.056 nan 8.150 nan 0.000 0.412 72 A N 0.880 123.515 122.820 -0.309 0.000 2.365 72 A HA 0.824 5.144 4.320 0.000 0.000 0.318 72 A C -0.859 176.551 177.584 -0.290 0.000 1.091 72 A CA -0.398 51.516 52.037 -0.205 0.000 0.763 72 A CB 0.955 19.914 19.000 -0.068 0.000 1.248 72 A HN 1.510 nan 8.150 nan 0.000 0.442 73 I N 3.360 123.799 120.570 -0.219 0.000 2.389 73 I HA 0.394 4.564 4.170 0.000 0.000 0.288 73 I C -0.012 176.131 176.117 0.043 0.000 0.999 73 I CA -1.309 59.893 61.300 -0.164 0.000 1.129 73 I CB 1.169 38.996 38.000 -0.287 0.000 1.288 73 I HN 0.817 nan 8.210 nan 0.000 0.444 74 L N 4.996 126.291 121.223 0.120 0.000 2.573 74 L HA 0.106 4.447 4.340 0.000 0.000 0.290 74 L C -0.839 176.207 176.870 0.294 0.000 1.247 74 L CA 0.209 55.166 54.840 0.195 0.000 0.876 74 L CB 0.071 42.228 42.059 0.164 0.000 1.123 74 L HN 0.612 nan 8.230 nan 0.000 0.505 75 F N 4.369 124.419 119.950 0.166 0.000 2.421 75 F HA 0.546 5.073 4.527 0.000 0.000 0.358 75 F C 0.417 176.352 175.800 0.225 0.000 1.115 75 F CA 0.552 58.658 58.000 0.176 0.000 1.160 75 F CB 0.869 39.941 39.000 0.120 0.000 1.123 75 F HN 0.866 nan 8.300 nan 0.000 0.508 76 S N 3.828 119.349 115.700 -0.298 0.000 2.757 76 S HA 0.377 4.847 4.470 0.000 0.000 0.285 76 S C -2.101 172.534 174.600 0.057 0.000 1.196 76 S CA -0.744 57.398 58.200 -0.097 0.000 0.856 76 S CB 1.182 64.410 63.200 0.046 0.000 1.212 76 S HN 0.716 nan 8.310 nan 0.000 0.516 77 D N -0.115 120.388 120.400 0.172 0.000 2.527 77 D HA 0.507 5.147 4.640 0.000 0.000 0.233 77 D C 1.298 177.721 176.300 0.205 0.000 1.063 77 D CA -0.614 53.533 54.000 0.244 0.000 0.880 77 D CB 0.947 41.939 40.800 0.320 0.000 1.457 77 D HN 0.427 nan 8.370 nan 0.000 0.475 78 I N 1.608 122.303 120.570 0.209 0.000 2.286 78 I HA -0.149 4.022 4.170 0.000 0.000 0.248 78 I C 1.217 177.350 176.117 0.026 0.000 1.115 78 I CA 0.642 62.014 61.300 0.120 0.000 1.392 78 I CB -0.193 37.840 38.000 0.055 0.000 1.065 78 I HN 0.516 nan 8.210 nan 0.000 0.418 79 L N 0.825 122.081 121.223 0.056 0.000 2.713 79 L HA 0.001 4.342 4.340 0.000 0.000 0.245 79 L C 2.126 179.044 176.870 0.079 0.000 1.169 79 L CA 0.828 55.705 54.840 0.060 0.000 0.962 79 L CB -1.684 40.412 42.059 0.061 0.000 1.161 79 L HN 0.212 nan 8.230 nan 0.000 0.427 80 T N 0.433 114.992 114.554 0.008 0.000 2.674 80 T HA -0.126 4.225 4.350 0.000 0.000 0.265 80 T C 2.079 176.695 174.700 -0.141 0.000 1.039 80 T CA 1.911 63.986 62.100 -0.042 0.000 1.150 80 T CB 0.178 68.936 68.868 -0.184 0.000 0.864 80 T HN 0.328 nan 8.240 nan 0.000 0.427 81 V N 1.022 120.752 119.914 -0.306 0.000 2.295 81 V HA -0.067 4.053 4.120 0.000 0.000 0.246 81 V C -0.495 175.541 176.094 -0.097 0.000 1.049 81 V CA 1.307 63.437 62.300 -0.283 0.000 1.024 81 V CB -2.394 29.229 31.823 -0.335 0.000 0.648 81 V HN 0.360 nan 8.190 nan 0.000 0.447 82 P HA -0.084 nan 4.420 nan 0.000 0.221 82 P C 1.288 178.668 177.300 0.133 0.000 1.150 82 P CA 1.761 64.873 63.100 0.019 0.000 0.800 82 P CB -0.074 31.665 31.700 0.064 0.000 0.787 83 D N 0.016 120.513 120.400 0.162 0.000 2.178 83 D HA -0.090 4.551 4.640 0.000 0.000 0.202 83 D C 1.419 177.789 176.300 0.117 0.000 0.974 83 D CA 0.908 55.009 54.000 0.169 0.000 0.841 83 D CB -0.583 40.296 40.800 0.131 0.000 0.953 83 D HN -0.024 nan 8.370 nan 0.000 0.478 84 A N -0.352 122.512 122.820 0.072 0.000 2.359 84 A HA 0.219 4.539 4.320 0.000 0.000 0.240 84 A C 1.211 178.814 177.584 0.030 0.000 1.306 84 A CA -0.084 51.987 52.037 0.056 0.000 0.898 84 A CB -0.543 18.477 19.000 0.033 0.000 0.956 84 A HN 0.278 nan 8.150 nan 0.000 0.497 85 M N -0.899 118.721 119.600 0.032 0.000 2.496 85 M HA 0.229 4.709 4.480 0.000 0.000 0.330 85 M C 0.978 177.287 176.300 0.015 0.000 1.133 85 M CA 0.452 55.755 55.300 0.006 0.000 0.964 85 M CB 0.545 33.127 32.600 -0.030 0.000 1.401 85 M HN 0.568 nan 8.290 nan 0.000 0.520 86 G N 1.769 110.596 108.800 0.045 0.000 2.298 86 G HA2 -0.237 3.723 3.960 0.000 0.000 0.287 86 G HA3 -0.237 3.723 3.960 0.000 0.000 0.287 86 G C 0.117 175.058 174.900 0.068 0.000 1.075 86 G CA -0.002 45.130 45.100 0.052 0.000 0.960 86 G HN 0.487 nan 8.290 nan 0.000 0.502 87 L N -0.256 121.041 121.223 0.123 0.000 2.664 87 L HA 0.520 4.861 4.340 0.000 0.000 0.233 87 L C 1.704 178.753 176.870 0.298 0.000 1.113 87 L CA 0.953 55.893 54.840 0.166 0.000 0.896 87 L CB 0.507 42.578 42.059 0.020 0.000 1.163 87 L HN 1.310 nan 8.230 nan 0.000 0.497 88 G N 1.748 110.695 108.800 0.244 0.000 2.828 88 G HA2 -0.175 3.785 3.960 0.000 0.000 0.262 88 G HA3 -0.175 3.785 3.960 0.000 0.000 0.262 88 G C -0.997 173.966 174.900 0.105 0.000 1.033 88 G CA -0.222 44.999 45.100 0.200 0.000 1.248 88 G HN 0.074 nan 8.290 nan 0.000 0.551 89 L N 3.486 124.654 121.223 -0.092 0.000 2.333 89 L HA 0.938 5.278 4.340 0.000 0.000 0.280 89 L C -0.448 176.208 176.870 -0.358 0.000 1.004 89 L CA -1.752 52.712 54.840 -0.626 0.000 0.820 89 L CB 1.112 42.666 42.059 -0.841 0.000 1.247 89 L HN 0.650 nan 8.230 nan 0.000 0.416 90 Y N 2.394 122.379 120.300 -0.525 0.000 2.545 90 Y HA 0.648 5.198 4.550 -0.000 0.000 0.348 90 Y C -1.276 174.358 175.900 -0.443 0.000 1.002 90 Y CA -2.087 55.803 58.100 -0.350 0.000 1.039 90 Y CB 0.946 39.308 38.460 -0.163 0.000 1.271 90 Y HN 0.418 nan 8.280 nan 0.000 0.467 91 F N 2.418 122.414 119.950 0.077 0.000 2.318 91 F HA 0.297 4.825 4.527 0.000 0.000 0.356 91 F C 0.092 175.931 175.800 0.065 0.000 1.109 91 F CA -0.712 57.298 58.000 0.018 0.000 1.234 91 F CB 0.748 39.777 39.000 0.048 0.000 1.545 91 F HN 0.454 nan 8.300 nan 0.000 0.534 92 E N 2.288 122.617 120.200 0.214 0.000 2.238 92 E HA 0.050 4.400 4.350 0.000 0.000 0.264 92 E C 1.011 177.694 176.600 0.137 0.000 1.136 92 E CA -0.060 56.445 56.400 0.174 0.000 0.929 92 E CB 1.252 31.042 29.700 0.151 0.000 1.010 92 E HN 0.696 nan 8.360 nan 0.000 0.440 93 A N 3.644 126.540 122.820 0.127 0.000 2.285 93 A HA -0.131 4.189 4.320 0.000 0.000 0.214 93 A C 1.570 179.197 177.584 0.071 0.000 1.188 93 A CA 1.701 53.793 52.037 0.091 0.000 0.707 93 A CB -0.138 18.916 19.000 0.089 0.000 0.771 93 A HN 0.649 nan 8.150 nan 0.000 0.488 94 G N -1.316 107.528 108.800 0.073 0.000 2.534 94 G HA2 0.134 4.094 3.960 0.000 0.000 0.220 94 G HA3 0.134 4.094 3.960 0.000 0.000 0.220 94 G C 1.161 176.095 174.900 0.057 0.000 1.699 94 G CA 0.631 45.767 45.100 0.059 0.000 0.769 94 G HN 0.413 nan 8.290 nan 0.000 0.632 95 E N -0.157 120.077 120.200 0.057 0.000 1.983 95 E HA 0.260 4.610 4.350 0.000 0.000 0.208 95 E C 1.132 177.759 176.600 0.045 0.000 1.006 95 E CA 1.340 57.767 56.400 0.044 0.000 0.872 95 E CB -0.209 29.517 29.700 0.043 0.000 0.806 95 E HN 0.486 nan 8.360 nan 0.000 0.510 96 G N -1.142 107.683 108.800 0.042 0.000 2.317 96 G HA2 0.168 4.128 3.960 0.000 0.000 0.293 96 G HA3 0.168 4.128 3.960 0.000 0.000 0.293 96 G C -2.928 171.960 174.900 -0.019 0.000 1.287 96 G CA -1.003 44.130 45.100 0.055 0.000 0.850 96 G HN 0.073 nan 8.290 nan 0.000 0.515 97 P HA 0.368 nan 4.420 nan 0.000 0.266 97 P C -0.293 176.753 177.300 -0.423 0.000 1.215 97 P CA 0.329 63.245 63.100 -0.308 0.000 0.763 97 P CB 0.624 32.271 31.700 -0.089 0.000 0.806 98 R N 3.044 123.046 120.500 -0.831 0.000 2.807 98 R HA 0.657 4.997 4.340 0.000 0.000 0.276 98 R C -1.365 174.288 176.300 -1.078 0.000 0.979 98 R CA -0.721 54.882 56.100 -0.829 0.000 0.928 98 R CB 1.055 30.846 30.300 -0.848 0.000 1.191 98 R HN 0.210 nan 8.270 nan 0.000 0.471 99 F N 0.625 120.355 119.950 -0.368 0.000 2.518 99 F HA 0.245 4.772 4.527 -0.000 0.000 0.323 99 F C 1.163 176.935 175.800 -0.048 0.000 1.129 99 F CA -0.523 57.364 58.000 -0.187 0.000 0.920 99 F CB 2.548 41.477 39.000 -0.119 0.000 1.160 99 F HN 0.630 nan 8.300 nan 0.000 0.440 100 T N -2.370 112.338 114.554 0.257 0.000 2.985 100 T HA -0.043 4.307 4.350 0.000 0.000 0.266 100 T C 0.939 175.720 174.700 0.135 0.000 1.076 100 T CA 0.725 62.948 62.100 0.204 0.000 1.135 100 T CB 0.027 69.015 68.868 0.201 0.000 0.890 100 T HN 0.365 nan 8.240 nan 0.000 0.480 101 S N 2.556 118.339 115.700 0.140 0.000 2.060 101 S HA 0.458 4.928 4.470 0.000 0.000 0.156 101 S C -2.975 171.622 174.600 -0.005 0.000 1.690 101 S CA -1.532 56.704 58.200 0.058 0.000 1.238 101 S CB 0.052 63.280 63.200 0.046 0.000 1.150 101 S HN 0.061 nan 8.310 nan 0.000 0.437 102 P HA 0.068 nan 4.420 nan 0.000 0.268 102 P C -0.573 176.659 177.300 -0.113 0.000 1.204 102 P CA -0.255 62.781 63.100 -0.107 0.000 0.768 102 P CB 0.612 32.276 31.700 -0.060 0.000 0.842 103 V N 4.086 123.903 119.914 -0.162 0.000 2.458 103 V HA -0.046 4.074 4.120 0.000 0.000 0.287 103 V C 1.360 177.398 176.094 -0.093 0.000 1.009 103 V CA 1.131 63.359 62.300 -0.119 0.000 1.091 103 V CB -0.254 31.488 31.823 -0.135 0.000 0.960 103 V HN 0.693 nan 8.190 nan 0.000 0.476 104 T N 3.710 118.225 114.554 -0.065 0.000 3.031 104 T HA 0.055 4.405 4.350 0.000 0.000 0.236 104 T C 0.806 175.481 174.700 -0.042 0.000 1.005 104 T CA 1.041 63.110 62.100 -0.052 0.000 1.230 104 T CB 0.280 69.125 68.868 -0.037 0.000 0.913 104 T HN 0.886 nan 8.240 nan 0.000 0.419 105 C N 0.726 120.008 119.300 -0.031 0.000 3.018 105 C HA 0.664 5.124 4.460 0.000 0.000 0.393 105 C C 1.796 176.777 174.990 -0.015 0.000 2.195 105 C CA -0.823 58.183 59.018 -0.020 0.000 1.696 105 C CB 0.870 28.603 27.740 -0.012 0.000 2.455 105 C HN 0.096 nan 8.230 nan 0.000 0.478 106 K N 0.530 120.927 120.400 -0.004 0.000 2.026 106 K HA -0.044 4.276 4.320 0.000 0.000 0.208 106 K C 2.328 178.929 176.600 0.000 0.000 1.048 106 K CA 2.062 58.351 56.287 0.004 0.000 0.929 106 K CB -1.193 31.314 32.500 0.013 0.000 0.713 106 K HN 0.817 nan 8.250 nan 0.000 0.439 107 A N 2.172 124.991 122.820 -0.002 0.000 1.873 107 A HA -0.242 4.078 4.320 0.000 0.000 0.218 107 A C 1.828 179.408 177.584 -0.008 0.000 1.193 107 A CA 2.306 54.342 52.037 -0.002 0.000 0.629 107 A CB -0.727 18.271 19.000 -0.003 0.000 0.826 107 A HN 0.273 nan 8.150 nan 0.000 0.447 108 D N -0.527 119.863 120.400 -0.016 0.000 2.203 108 D HA -0.131 4.509 4.640 0.000 0.000 0.199 108 D C 1.990 178.273 176.300 -0.029 0.000 0.997 108 D CA 1.618 55.602 54.000 -0.027 0.000 0.863 108 D CB -0.332 40.444 40.800 -0.040 0.000 0.928 108 D HN 0.298 nan 8.370 nan 0.000 0.458 109 V N 1.008 120.910 119.914 -0.021 0.000 2.379 109 V HA -0.127 3.994 4.120 0.000 0.000 0.243 109 V C 1.906 177.998 176.094 -0.004 0.000 1.035 109 V CA 1.367 63.657 62.300 -0.016 0.000 1.035 109 V CB -0.340 31.479 31.823 -0.006 0.000 0.673 109 V HN 0.064 nan 8.190 nan 0.000 0.457 110 D N 0.505 120.906 120.400 0.003 0.000 2.178 110 D HA -0.168 4.473 4.640 0.000 0.000 0.201 110 D C 2.060 178.363 176.300 0.004 0.000 0.980 110 D CA 1.175 55.180 54.000 0.008 0.000 0.842 110 D CB -0.078 40.728 40.800 0.010 0.000 0.948 110 D HN 0.303 nan 8.370 nan 0.000 0.472 111 K N 0.049 120.448 120.400 -0.001 0.000 2.366 111 K HA 0.044 4.364 4.320 0.000 0.000 0.198 111 K C 0.388 176.985 176.600 -0.005 0.000 1.044 111 K CA -0.233 56.053 56.287 -0.002 0.000 0.973 111 K CB -0.160 32.338 32.500 -0.004 0.000 0.767 111 K HN 0.001 nan 8.250 nan 0.000 0.475 112 L N 2.874 124.090 121.223 -0.011 0.000 2.513 112 L HA 0.076 4.416 4.340 0.000 0.000 0.272 112 L C -2.217 174.649 176.870 -0.006 0.000 1.187 112 L CA -1.459 53.371 54.840 -0.017 0.000 0.895 112 L CB 0.050 42.092 42.059 -0.028 0.000 1.147 112 L HN 0.082 nan 8.230 nan 0.000 0.483 113 P HA 0.324 nan 4.420 nan 0.000 0.290 113 P C -0.822 176.479 177.300 0.002 0.000 1.283 113 P CA -0.617 62.484 63.100 0.003 0.000 0.869 113 P CB 1.371 33.074 31.700 0.006 0.000 1.100 114 I N 4.291 124.867 120.570 0.010 0.000 2.322 114 I HA 0.196 4.366 4.170 0.000 0.000 0.292 114 I C -1.554 174.570 176.117 0.012 0.000 1.060 114 I CA -1.948 59.359 61.300 0.012 0.000 1.309 114 I CB 0.788 38.801 38.000 0.022 0.000 1.415 114 I HN 0.164 nan 8.210 nan 0.000 0.492 115 P HA 0.055 nan 4.420 nan 0.000 0.275 115 P C -0.780 176.532 177.300 0.019 0.000 1.227 115 P CA -0.317 62.788 63.100 0.007 0.000 0.781 115 P CB 1.135 32.828 31.700 -0.012 0.000 0.906 116 D N 4.432 124.848 120.400 0.026 0.000 2.336 116 D HA 0.042 4.683 4.640 0.000 0.000 0.249 116 D C -1.155 175.168 176.300 0.038 0.000 1.213 116 D CA -2.003 52.016 54.000 0.033 0.000 0.870 116 D CB 1.113 41.931 40.800 0.030 0.000 1.076 116 D HN 0.172 nan 8.370 nan 0.000 0.483 117 P HA -0.219 nan 4.420 nan 0.000 0.215 117 P C 1.067 178.389 177.300 0.036 0.000 1.163 117 P CA 1.188 64.334 63.100 0.077 0.000 0.894 117 P CB 0.527 32.291 31.700 0.107 0.000 0.791 118 E N -0.489 119.727 120.200 0.027 0.000 2.204 118 E HA -0.126 4.224 4.350 0.000 0.000 0.194 118 E C 1.822 178.440 176.600 0.031 0.000 0.989 118 E CA 0.837 57.249 56.400 0.019 0.000 0.824 118 E CB -0.766 28.943 29.700 0.015 0.000 0.756 118 E HN 0.247 nan 8.360 nan 0.000 0.477 119 D N -0.073 120.349 120.400 0.036 0.000 2.162 119 D HA -0.082 4.558 4.640 0.000 0.000 0.252 119 D C 1.309 177.650 176.300 0.067 0.000 1.095 119 D CA 0.782 54.809 54.000 0.045 0.000 0.928 119 D CB 0.078 40.900 40.800 0.038 0.000 0.989 119 D HN 0.016 nan 8.370 nan 0.000 0.401 120 E N -0.160 120.079 120.200 0.066 0.000 2.265 120 E HA -0.024 4.326 4.350 0.000 0.000 0.196 120 E C 1.356 178.040 176.600 0.140 0.000 0.996 120 E CA 0.534 56.993 56.400 0.098 0.000 0.832 120 E CB 0.037 29.781 29.700 0.073 0.000 0.756 120 E HN 0.302 nan 8.360 nan 0.000 0.491 121 L N -0.275 120.971 121.223 0.040 0.000 2.910 121 L HA 0.295 4.636 4.340 0.000 0.000 0.252 121 L C 1.647 178.399 176.870 -0.197 0.000 1.195 121 L CA -0.285 54.472 54.840 -0.138 0.000 1.003 121 L CB 0.618 42.598 42.059 -0.132 0.000 1.328 121 L HN 0.146 nan 8.230 nan 0.000 0.540 122 G N -0.044 108.753 108.800 -0.006 0.000 2.653 122 G HA2 -0.269 3.691 3.960 0.000 0.000 0.212 122 G HA3 -0.269 3.691 3.960 0.000 0.000 0.212 122 G C 1.128 176.052 174.900 0.039 0.000 1.138 122 G CA 0.583 45.692 45.100 0.015 0.000 0.782 122 G HN 0.608 nan 8.290 nan 0.000 0.535 123 Y N -0.385 119.941 120.300 0.044 0.000 2.476 123 Y HA 0.204 4.754 4.550 0.000 0.000 0.283 123 Y C 2.230 178.156 175.900 0.045 0.000 1.109 123 Y CA 0.472 58.595 58.100 0.038 0.000 1.246 123 Y CB -0.548 37.933 38.460 0.034 0.000 1.068 123 Y HN 0.055 nan 8.280 nan 0.000 0.552 124 V N -2.522 117.128 119.914 -0.440 0.000 2.871 124 V HA -0.087 4.033 4.120 0.000 0.000 0.256 124 V C 1.874 177.902 176.094 -0.109 0.000 1.082 124 V CA 0.981 63.148 62.300 -0.221 0.000 1.105 124 V CB -0.511 31.155 31.823 -0.261 0.000 0.713 124 V HN 0.345 nan 8.190 nan 0.000 0.473 125 M N 1.013 120.552 119.600 -0.101 0.000 2.288 125 M HA 0.060 4.540 4.480 0.000 0.000 0.266 125 M C 1.877 178.165 176.300 -0.019 0.000 1.072 125 M CA 1.186 56.448 55.300 -0.063 0.000 1.132 125 M CB -1.550 31.021 32.600 -0.049 0.000 1.386 125 M HN 0.445 nan 8.290 nan 0.000 0.432 126 N N 1.097 119.803 118.700 0.011 0.000 2.106 126 N HA -0.015 4.725 4.740 0.000 0.000 0.188 126 N C 1.769 177.301 175.510 0.038 0.000 1.029 126 N CA 1.777 54.847 53.050 0.034 0.000 0.848 126 N CB -0.214 38.313 38.487 0.066 0.000 1.007 126 N HN 0.328 nan 8.380 nan 0.000 0.423 127 A N 0.306 123.158 122.820 0.053 0.000 1.883 127 A HA -0.136 4.184 4.320 0.000 0.000 0.217 127 A C 2.358 179.969 177.584 0.046 0.000 1.186 127 A CA 1.650 53.726 52.037 0.065 0.000 0.624 127 A CB -1.044 18.013 19.000 0.095 0.000 0.822 127 A HN 0.108 nan 8.150 nan 0.000 0.444 128 V N 0.064 119.990 119.914 0.020 0.000 2.252 128 V HA -0.360 3.760 4.120 0.000 0.000 0.249 128 V C 2.643 178.749 176.094 0.020 0.000 1.056 128 V CA 2.512 64.817 62.300 0.008 0.000 1.022 128 V CB -0.927 30.878 31.823 -0.030 0.000 0.641 128 V HN 0.546 nan 8.190 nan 0.000 0.445 129 R N -0.390 120.119 120.500 0.015 0.000 2.091 129 R HA -0.164 4.176 4.340 0.000 0.000 0.238 129 R C 2.437 178.764 176.300 0.045 0.000 1.136 129 R CA 2.081 58.194 56.100 0.021 0.000 0.959 129 R CB -0.753 29.549 30.300 0.003 0.000 0.856 129 R HN 0.588 nan 8.270 nan 0.000 0.437 130 T N 1.342 115.922 114.554 0.044 0.000 2.643 130 T HA -0.102 4.248 4.350 0.000 0.000 0.264 130 T C 1.946 176.699 174.700 0.088 0.000 1.045 130 T CA 1.338 63.476 62.100 0.063 0.000 1.155 130 T CB -0.225 68.674 68.868 0.051 0.000 0.863 130 T HN 0.145 nan 8.240 nan 0.000 0.420 131 I N 0.577 121.188 120.570 0.067 0.000 2.194 131 I HA -0.225 3.945 4.170 0.000 0.000 0.246 131 I C 2.998 179.147 176.117 0.054 0.000 1.093 131 I CA 1.211 62.546 61.300 0.058 0.000 1.355 131 I CB -0.380 37.652 38.000 0.053 0.000 1.046 131 I HN 0.078 nan 8.210 nan 0.000 0.413 132 R N 0.255 120.790 120.500 0.058 0.000 2.083 132 R HA -0.236 4.104 4.340 0.000 0.000 0.237 132 R C 2.308 178.649 176.300 0.068 0.000 1.137 132 R CA 1.896 58.027 56.100 0.052 0.000 0.951 132 R CB -0.862 29.468 30.300 0.051 0.000 0.851 132 R HN 0.451 nan 8.270 nan 0.000 0.434 133 H N 0.150 119.223 119.070 0.004 0.000 2.491 133 H HA -0.044 4.512 4.556 0.000 0.000 0.290 133 H C 1.626 176.956 175.328 0.004 0.000 1.050 133 H CA 1.579 57.629 56.048 0.004 0.000 1.309 133 H CB 0.317 30.081 29.762 0.004 0.000 1.392 133 H HN 0.119 nan 8.280 nan 0.000 0.554 134 E N 0.093 120.323 120.200 0.049 0.000 2.060 134 E HA 0.000 4.350 4.350 0.000 0.000 0.189 134 E C 2.101 178.681 176.600 -0.033 0.000 0.974 134 E CA 0.507 56.909 56.400 0.003 0.000 0.808 134 E CB -0.213 29.511 29.700 0.039 0.000 0.768 134 E HN 0.444 nan 8.360 nan 0.000 0.453 135 L N 0.886 122.100 121.223 -0.015 0.000 2.450 135 L HA -0.152 4.188 4.340 0.000 0.000 0.225 135 L C 0.251 177.097 176.870 -0.040 0.000 1.145 135 L CA 0.602 55.431 54.840 -0.018 0.000 0.801 135 L CB -0.450 41.605 42.059 -0.007 0.000 0.924 135 L HN 0.118 nan 8.230 nan 0.000 0.447 136 K N 0.631 120.984 120.400 -0.077 0.000 3.356 136 K HA -0.266 4.054 4.320 0.000 0.000 0.270 136 K C 1.171 177.738 176.600 -0.055 0.000 0.901 136 K CA 0.708 56.936 56.287 -0.099 0.000 0.688 136 K CB -2.150 30.288 32.500 -0.104 0.000 1.460 136 K HN 0.645 nan 8.250 nan 0.000 0.458 137 G N 0.150 108.928 108.800 -0.037 0.000 2.228 137 G HA2 -0.434 3.526 3.960 0.000 0.000 0.270 137 G HA3 -0.434 3.526 3.960 0.000 0.000 0.270 137 G C 0.867 175.761 174.900 -0.010 0.000 0.976 137 G CA 1.040 46.129 45.100 -0.019 0.000 0.636 137 G HN 0.603 nan 8.290 nan 0.000 0.542 138 E N -0.699 119.494 120.200 -0.012 0.000 2.209 138 E HA 0.165 4.515 4.350 0.000 0.000 0.196 138 E C 0.659 177.264 176.600 0.007 0.000 0.993 138 E CA 1.419 57.818 56.400 -0.002 0.000 0.819 138 E CB 0.001 29.699 29.700 -0.003 0.000 0.745 138 E HN 0.524 nan 8.360 nan 0.000 0.477 139 V N 0.283 120.199 119.914 0.005 0.000 3.177 139 V HA 0.231 4.351 4.120 0.000 0.000 0.287 139 V C -2.668 173.428 176.094 0.003 0.000 1.465 139 V CA -1.585 60.720 62.300 0.009 0.000 1.020 139 V CB 2.456 34.280 31.823 0.002 0.000 1.152 139 V HN 0.062 nan 8.190 nan 0.000 0.448 140 P HA 0.280 nan 4.420 nan 0.000 0.275 140 P C -1.021 176.259 177.300 -0.033 0.000 1.228 140 P CA -0.222 62.895 63.100 0.028 0.000 0.786 140 P CB 1.229 33.002 31.700 0.121 0.000 0.927 141 L N 3.698 124.909 121.223 -0.019 0.000 2.275 141 L HA 0.339 4.679 4.340 0.000 0.000 0.288 141 L C -0.231 176.613 176.870 -0.043 0.000 1.046 141 L CA -1.000 53.812 54.840 -0.046 0.000 0.805 141 L CB 0.625 42.676 42.059 -0.013 0.000 1.193 141 L HN 0.193 nan 8.230 nan 0.000 0.426 142 I N 4.400 124.904 120.570 -0.110 0.000 2.353 142 I HA 0.388 4.558 4.170 0.000 0.000 0.293 142 I C 0.782 176.918 176.117 0.032 0.000 0.992 142 I CA -0.443 60.816 61.300 -0.067 0.000 1.268 142 I CB 0.790 38.636 38.000 -0.256 0.000 1.387 142 I HN 0.539 nan 8.210 nan 0.000 0.478 143 G N 5.716 114.554 108.800 0.063 0.000 2.389 143 G HA2 0.680 4.640 3.960 0.000 0.000 0.328 143 G HA3 0.680 4.640 3.960 0.000 0.000 0.328 143 G C -1.029 173.973 174.900 0.169 0.000 1.133 143 G CA -0.348 44.780 45.100 0.046 0.000 0.891 143 G HN 0.579 nan 8.290 nan 0.000 0.485 144 F N -0.043 119.911 119.950 0.006 0.000 2.650 144 F HA 0.885 5.412 4.527 0.000 0.000 0.320 144 F C -0.411 175.471 175.800 0.135 0.000 1.091 144 F CA -1.285 56.788 58.000 0.120 0.000 0.962 144 F CB 2.158 41.257 39.000 0.164 0.000 1.363 144 F HN 0.735 nan 8.300 nan 0.000 0.482 145 S N -0.017 115.843 115.700 0.268 0.000 2.597 145 S HA 0.603 5.073 4.470 0.000 0.000 0.274 145 S C -0.751 174.077 174.600 0.380 0.000 1.132 145 S CA -0.261 58.069 58.200 0.217 0.000 0.835 145 S CB 0.854 64.231 63.200 0.295 0.000 1.092 145 S HN 1.602 nan 8.310 nan 0.000 0.457 146 G N 1.634 110.603 108.800 0.281 0.000 2.599 146 G HA2 0.503 4.463 3.960 0.000 0.000 0.264 146 G HA3 0.503 4.463 3.960 0.000 0.000 0.264 146 G C 0.251 175.323 174.900 0.287 0.000 1.200 146 G CA 0.110 45.394 45.100 0.307 0.000 0.896 146 G HN 1.415 nan 8.290 nan 0.000 0.536 147 S N 0.757 116.639 115.700 0.303 0.000 2.652 147 S HA 0.358 4.828 4.470 0.000 0.000 0.270 147 S C -1.643 173.112 174.600 0.258 0.000 1.243 147 S CA -0.993 57.376 58.200 0.282 0.000 0.999 147 S CB 1.997 65.383 63.200 0.309 0.000 0.973 147 S HN 0.241 nan 8.310 nan 0.000 0.544 148 P HA -0.128 nan 4.420 nan 0.000 0.216 148 P C 0.938 178.352 177.300 0.191 0.000 1.154 148 P CA 1.254 64.455 63.100 0.169 0.000 0.865 148 P CB -0.063 31.721 31.700 0.140 0.000 0.789 149 W N 0.362 121.721 121.300 0.097 0.000 2.378 149 W HA -0.160 4.500 4.660 -0.000 0.000 0.313 149 W C 2.456 179.087 176.519 0.188 0.000 1.197 149 W CA 2.686 60.095 57.345 0.106 0.000 1.304 149 W CB -1.362 28.174 29.460 0.128 0.000 1.148 149 W HN -0.039 nan 8.180 nan 0.000 0.494 150 T N -0.942 113.781 114.554 0.282 0.000 2.849 150 T HA -0.247 4.103 4.350 0.000 0.000 0.270 150 T C 1.951 176.847 174.700 0.327 0.000 1.066 150 T CA 1.739 64.001 62.100 0.270 0.000 1.130 150 T CB -0.752 68.391 68.868 0.458 0.000 0.864 150 T HN 0.256 nan 8.240 nan 0.000 0.481 151 L N 0.817 122.179 121.223 0.233 0.000 2.044 151 L HA 0.122 4.462 4.340 0.000 0.000 0.205 151 L C 3.350 180.275 176.870 0.091 0.000 1.075 151 L CA 1.184 56.146 54.840 0.203 0.000 0.747 151 L CB -0.829 41.294 42.059 0.107 0.000 0.903 151 L HN 0.377 nan 8.230 nan 0.000 0.435 152 A N -0.759 122.032 122.820 -0.048 0.000 2.131 152 A HA -0.185 4.135 4.320 0.000 0.000 0.220 152 A C 2.290 179.740 177.584 -0.222 0.000 1.158 152 A CA 2.072 54.020 52.037 -0.147 0.000 0.665 152 A CB -0.742 18.159 19.000 -0.165 0.000 0.795 152 A HN 0.382 nan 8.150 nan 0.000 0.460 153 T N -1.133 113.258 114.554 -0.272 0.000 2.668 153 T HA -0.139 4.211 4.350 0.000 0.000 0.262 153 T C 1.672 176.243 174.700 -0.215 0.000 1.045 153 T CA 1.923 63.824 62.100 -0.331 0.000 1.152 153 T CB -0.443 68.210 68.868 -0.359 0.000 0.864 153 T HN 0.597 nan 8.240 nan 0.000 0.419 154 Y N 1.090 121.351 120.300 -0.066 0.000 2.224 154 Y HA -0.019 4.531 4.550 0.001 0.000 0.289 154 Y C 2.457 178.290 175.900 -0.111 0.000 1.146 154 Y CA 0.917 59.025 58.100 0.013 0.000 1.182 154 Y CB -0.642 37.939 38.460 0.201 0.000 0.983 154 Y HN 0.202 nan 8.280 nan 0.000 0.524 155 M N -1.336 118.188 119.600 -0.125 0.000 2.374 155 M HA -0.141 4.339 4.480 0.000 0.000 0.264 155 M C 1.629 177.755 176.300 -0.290 0.000 1.067 155 M CA 0.960 56.000 55.300 -0.433 0.000 1.103 155 M CB -0.175 32.212 32.600 -0.355 0.000 1.402 155 M HN 0.116 nan 8.290 nan 0.000 0.444 156 V N -0.997 118.799 119.914 -0.198 0.000 2.581 156 V HA -0.038 4.082 4.120 0.000 0.000 0.240 156 V C 2.163 178.169 176.094 -0.147 0.000 1.054 156 V CA 0.989 63.190 62.300 -0.165 0.000 1.076 156 V CB -0.333 31.393 31.823 -0.162 0.000 0.748 156 V HN 0.258 nan 8.190 nan 0.000 0.474 157 E N 0.660 120.754 120.200 -0.176 0.000 2.150 157 E HA -0.056 4.294 4.350 0.000 0.000 0.193 157 E C 1.944 178.474 176.600 -0.116 0.000 0.985 157 E CA 1.171 57.452 56.400 -0.198 0.000 0.814 157 E CB -0.281 29.209 29.700 -0.350 0.000 0.752 157 E HN 0.677 nan 8.360 nan 0.000 0.466 158 G N -0.288 108.495 108.800 -0.028 0.000 2.176 158 G HA2 -0.196 3.764 3.960 0.000 0.000 0.232 158 G HA3 -0.196 3.764 3.960 0.000 0.000 0.232 158 G C 0.609 175.626 174.900 0.195 0.000 0.986 158 G CA 0.548 45.724 45.100 0.127 0.000 0.643 158 G HN 0.771 nan 8.290 nan 0.000 0.522 159 G N -1.159 107.705 108.800 0.107 0.000 2.600 159 G HA2 0.591 4.551 3.960 0.000 0.000 0.103 159 G HA3 0.591 4.551 3.960 0.000 0.000 0.103 159 G C -0.431 174.382 174.900 -0.144 0.000 1.090 159 G CA 0.668 45.836 45.100 0.113 0.000 1.090 159 G HN 1.573 nan 8.290 nan 0.000 0.500 160 S N 0.178 115.768 115.700 -0.182 0.000 2.429 160 S HA 0.712 5.182 4.470 0.000 0.000 0.302 160 S C -0.213 174.059 174.600 -0.546 0.000 1.115 160 S CA -0.222 57.722 58.200 -0.428 0.000 1.095 160 S CB 1.599 64.734 63.200 -0.109 0.000 0.987 160 S HN 0.854 nan 8.310 nan 0.000 0.474 161 S N 1.272 116.395 115.700 -0.961 0.000 2.593 161 S HA 0.362 4.833 4.470 0.000 0.000 0.297 161 S C 1.034 175.044 174.600 -0.982 0.000 1.112 161 S CA -0.938 56.725 58.200 -0.896 0.000 1.043 161 S CB 0.747 63.347 63.200 -1.001 0.000 1.054 161 S HN 0.822 nan 8.310 nan 0.000 0.516 162 K N 1.770 121.848 120.400 -0.536 0.000 2.356 162 K HA 0.341 4.661 4.320 0.000 0.000 0.195 162 K C 0.981 177.460 176.600 -0.200 0.000 1.037 162 K CA 0.608 56.699 56.287 -0.328 0.000 1.014 162 K CB 0.174 32.578 32.500 -0.160 0.000 0.815 162 K HN 0.398 nan 8.250 nan 0.000 0.507 163 A N 0.560 123.237 122.820 -0.238 0.000 2.498 163 A HA 0.338 4.658 4.320 0.000 0.000 0.238 163 A C -0.014 177.646 177.584 0.127 0.000 1.225 163 A CA -0.493 51.545 52.037 0.001 0.000 0.978 163 A CB -0.107 18.883 19.000 -0.017 0.000 1.142 163 A HN 0.269 nan 8.150 nan 0.000 0.552 164 F N -0.274 119.553 119.950 -0.205 0.000 3.100 164 F HA -0.242 4.285 4.527 0.000 0.000 0.283 164 F C 1.697 177.413 175.800 -0.140 0.000 0.900 164 F CA 1.031 58.900 58.000 -0.219 0.000 1.010 164 F CB -2.516 36.361 39.000 -0.204 0.000 1.029 164 F HN 0.267 nan 8.300 nan 0.000 0.637 165 T N -1.370 113.164 114.554 -0.034 0.000 2.849 165 T HA -0.137 4.213 4.350 0.000 0.000 0.270 165 T C 1.723 176.402 174.700 -0.035 0.000 1.066 165 T CA 1.937 64.026 62.100 -0.019 0.000 1.130 165 T CB -0.032 68.810 68.868 -0.043 0.000 0.864 165 T HN 0.285 nan 8.240 nan 0.000 0.481 166 V N 1.249 121.120 119.914 -0.071 0.000 2.374 166 V HA 0.058 4.178 4.120 0.000 0.000 0.241 166 V C 2.450 178.490 176.094 -0.089 0.000 1.034 166 V CA 1.294 63.546 62.300 -0.079 0.000 1.037 166 V CB -0.565 31.197 31.823 -0.101 0.000 0.682 166 V HN 0.537 nan 8.190 nan 0.000 0.463 167 I N 0.218 120.728 120.570 -0.099 0.000 2.194 167 I HA -0.282 3.888 4.170 0.000 0.000 0.246 167 I C 2.419 178.439 176.117 -0.161 0.000 1.093 167 I CA 1.855 63.082 61.300 -0.122 0.000 1.355 167 I CB -0.790 37.135 38.000 -0.124 0.000 1.046 167 I HN 0.237 nan 8.210 nan 0.000 0.413 168 K N 1.192 121.500 120.400 -0.154 0.000 2.148 168 K HA -0.151 4.169 4.320 0.000 0.000 0.204 168 K C 2.222 178.676 176.600 -0.243 0.000 1.050 168 K CA 1.041 57.132 56.287 -0.326 0.000 0.942 168 K CB -0.181 32.197 32.500 -0.203 0.000 0.724 168 K HN 0.303 nan 8.250 nan 0.000 0.446 169 K N 1.216 121.564 120.400 -0.087 0.000 2.148 169 K HA -0.102 4.218 4.320 0.000 0.000 0.204 169 K C 2.127 178.700 176.600 -0.044 0.000 1.050 169 K CA 0.960 57.238 56.287 -0.016 0.000 0.942 169 K CB 0.056 32.549 32.500 -0.012 0.000 0.724 169 K HN 0.097 nan 8.250 nan 0.000 0.446 170 M N 0.371 119.910 119.600 -0.101 0.000 2.134 170 M HA -0.126 4.354 4.480 0.000 0.000 0.262 170 M C 2.284 178.497 176.300 -0.145 0.000 1.076 170 M CA 1.336 56.577 55.300 -0.099 0.000 1.143 170 M CB -0.090 32.444 32.600 -0.109 0.000 1.346 170 M HN 0.239 nan 8.290 nan 0.000 0.421 171 M N -0.329 119.089 119.600 -0.304 0.000 2.082 171 M HA -0.292 4.188 4.480 0.000 0.000 0.258 171 M C 1.331 177.466 176.300 -0.275 0.000 1.069 171 M CA 2.056 57.044 55.300 -0.520 0.000 1.102 171 M CB -0.431 31.598 32.600 -0.952 0.000 1.336 171 M HN 0.398 nan 8.290 nan 0.000 0.404 172 Y N -1.262 118.970 120.300 -0.112 0.000 2.511 172 Y HA 0.172 4.722 4.550 -0.000 0.000 0.279 172 Y C 1.927 177.820 175.900 -0.012 0.000 1.157 172 Y CA -0.056 58.018 58.100 -0.044 0.000 1.300 172 Y CB 0.081 38.520 38.460 -0.035 0.000 1.052 172 Y HN 0.434 nan 8.280 nan 0.000 0.529 173 A N -1.349 121.538 122.820 0.112 0.000 2.340 173 A HA 0.127 4.447 4.320 0.000 0.000 0.213 173 A C 0.078 177.693 177.584 0.052 0.000 1.299 173 A CA 0.256 52.339 52.037 0.077 0.000 0.994 173 A CB 0.575 19.609 19.000 0.057 0.000 1.132 173 A HN 0.155 nan 8.150 nan 0.000 0.519 174 D N -0.661 119.759 120.400 0.034 0.000 3.100 174 D HA 0.193 4.833 4.640 0.000 0.000 0.350 174 D C -1.888 174.435 176.300 0.039 0.000 1.310 174 D CA -1.075 52.946 54.000 0.034 0.000 0.741 174 D CB 0.869 41.676 40.800 0.012 0.000 1.248 174 D HN 0.085 nan 8.370 nan 0.000 0.527 175 P HA -0.234 nan 4.420 nan 0.000 0.216 175 P C 1.247 178.659 177.300 0.186 0.000 1.150 175 P CA 1.227 64.413 63.100 0.143 0.000 0.843 175 P CB 0.489 32.352 31.700 0.273 0.000 0.787 176 Q N -0.132 119.784 119.800 0.194 0.000 2.124 176 Q HA -0.092 4.248 4.340 0.000 0.000 0.202 176 Q C 2.469 178.564 176.000 0.159 0.000 0.977 176 Q CA 1.761 57.688 55.803 0.206 0.000 0.850 176 Q CB -0.729 28.085 28.738 0.127 0.000 0.901 176 Q HN 0.244 nan 8.270 nan 0.000 0.429 177 A N 0.910 123.785 122.820 0.093 0.000 1.855 177 A HA -0.153 4.167 4.320 0.000 0.000 0.215 177 A C 2.043 179.655 177.584 0.046 0.000 1.191 177 A CA 1.148 53.218 52.037 0.055 0.000 0.613 177 A CB -0.691 18.322 19.000 0.021 0.000 0.829 177 A HN 0.352 nan 8.150 nan 0.000 0.442 178 L N -0.630 120.601 121.223 0.014 0.000 2.127 178 L HA -0.191 4.150 4.340 0.000 0.000 0.211 178 L C 2.226 179.119 176.870 0.037 0.000 1.089 178 L CA 2.144 56.973 54.840 -0.018 0.000 0.757 178 L CB -0.892 41.108 42.059 -0.098 0.000 0.899 178 L HN 0.505 nan 8.230 nan 0.000 0.434 179 H N -0.562 118.614 119.070 0.177 0.000 2.363 179 H HA 0.090 4.647 4.556 0.000 0.000 0.301 179 H C 2.186 177.571 175.328 0.096 0.000 1.074 179 H CA 1.208 57.355 56.048 0.165 0.000 1.354 179 H CB -0.459 29.410 29.762 0.179 0.000 1.397 179 H HN 0.464 nan 8.280 nan 0.000 0.516 180 A N 1.396 124.337 122.820 0.203 0.000 1.892 180 A HA -0.188 4.132 4.320 0.000 0.000 0.218 180 A C 2.528 180.158 177.584 0.078 0.000 1.188 180 A CA 1.825 53.935 52.037 0.122 0.000 0.631 180 A CB -0.917 18.132 19.000 0.081 0.000 0.822 180 A HN 0.309 nan 8.150 nan 0.000 0.447 181 L N -0.244 121.004 121.223 0.041 0.000 1.961 181 L HA -0.108 4.233 4.340 0.000 0.000 0.210 181 L C 2.352 179.197 176.870 -0.041 0.000 1.072 181 L CA 1.943 56.779 54.840 -0.007 0.000 0.749 181 L CB -0.748 41.291 42.059 -0.033 0.000 0.889 181 L HN 0.411 nan 8.230 nan 0.000 0.432 182 L N -0.279 120.876 121.223 -0.112 0.000 2.081 182 L HA -0.253 4.087 4.340 0.000 0.000 0.212 182 L C 2.379 179.064 176.870 -0.308 0.000 1.080 182 L CA 1.571 56.204 54.840 -0.345 0.000 0.754 182 L CB -0.804 40.802 42.059 -0.755 0.000 0.893 182 L HN 0.449 nan 8.230 nan 0.000 0.433 183 D N 0.253 120.642 120.400 -0.017 0.000 2.097 183 D HA -0.166 4.474 4.640 0.000 0.000 0.197 183 D C 2.158 178.556 176.300 0.164 0.000 0.984 183 D CA 1.210 55.382 54.000 0.287 0.000 0.826 183 D CB 0.132 41.130 40.800 0.331 0.000 0.973 183 D HN 0.143 nan 8.370 nan 0.000 0.460 184 K N 0.010 120.464 120.400 0.090 0.000 2.063 184 K HA -0.118 4.202 4.320 0.000 0.000 0.208 184 K C 2.384 179.017 176.600 0.055 0.000 1.048 184 K CA 0.649 56.974 56.287 0.063 0.000 0.928 184 K CB -0.271 32.248 32.500 0.033 0.000 0.713 184 K HN 0.261 nan 8.250 nan 0.000 0.442 185 L N 0.400 121.643 121.223 0.033 0.000 2.191 185 L HA -0.187 4.153 4.340 0.000 0.000 0.212 185 L C 2.512 179.431 176.870 0.081 0.000 1.103 185 L CA 0.795 55.655 54.840 0.033 0.000 0.769 185 L CB -0.467 41.596 42.059 0.006 0.000 0.908 185 L HN 0.214 nan 8.230 nan 0.000 0.438 186 A N 0.098 122.994 122.820 0.126 0.000 1.840 186 A HA -0.196 4.124 4.320 0.000 0.000 0.214 186 A C 2.304 179.966 177.584 0.130 0.000 1.198 186 A CA 1.420 53.564 52.037 0.178 0.000 0.608 186 A CB -0.348 18.837 19.000 0.309 0.000 0.839 186 A HN 0.222 nan 8.150 nan 0.000 0.443 187 K N 0.131 120.602 120.400 0.118 0.000 2.034 187 K HA -0.167 4.153 4.320 0.000 0.000 0.214 187 K C 2.441 179.089 176.600 0.079 0.000 1.051 187 K CA 1.807 58.147 56.287 0.088 0.000 0.931 187 K CB -0.313 32.232 32.500 0.076 0.000 0.715 187 K HN 0.476 nan 8.250 nan 0.000 0.446 188 S N 0.737 116.480 115.700 0.071 0.000 2.414 188 S HA -0.193 4.277 4.470 0.000 0.000 0.225 188 S C 1.970 176.631 174.600 0.101 0.000 1.041 188 S CA 1.643 59.880 58.200 0.062 0.000 1.114 188 S CB -0.704 62.512 63.200 0.027 0.000 1.064 188 S HN 0.297 nan 8.310 nan 0.000 0.420 189 V N 2.015 121.998 119.914 0.115 0.000 2.453 189 V HA -0.226 3.894 4.120 0.000 0.000 0.252 189 V C 2.085 178.287 176.094 0.181 0.000 1.068 189 V CA 2.541 64.959 62.300 0.196 0.000 1.070 189 V CB -1.265 30.668 31.823 0.183 0.000 0.664 189 V HN 0.607 nan 8.190 nan 0.000 0.461 190 T N 0.741 115.369 114.554 0.123 0.000 2.746 190 T HA -0.121 4.229 4.350 0.000 0.000 0.267 190 T C 1.762 176.504 174.700 0.072 0.000 1.039 190 T CA 2.065 64.216 62.100 0.086 0.000 1.142 190 T CB -0.293 68.616 68.868 0.069 0.000 0.866 190 T HN 0.487 nan 8.240 nan 0.000 0.444 191 L N -0.405 120.869 121.223 0.085 0.000 2.056 191 L HA -0.068 4.272 4.340 0.000 0.000 0.207 191 L C 2.404 179.329 176.870 0.091 0.000 1.078 191 L CA 1.345 56.228 54.840 0.072 0.000 0.749 191 L CB -0.581 41.522 42.059 0.073 0.000 0.901 191 L HN 0.241 nan 8.230 nan 0.000 0.433 192 Y N 0.848 121.137 120.300 -0.019 0.000 2.128 192 Y HA -0.260 4.290 4.550 0.000 0.000 0.284 192 Y C 2.289 178.157 175.900 -0.052 0.000 1.154 192 Y CA 1.516 59.588 58.100 -0.047 0.000 1.149 192 Y CB -0.349 38.078 38.460 -0.055 0.000 0.976 192 Y HN 0.005 nan 8.280 nan 0.000 0.505 193 L N -0.091 121.037 121.223 -0.157 0.000 2.109 193 L HA -0.214 4.126 4.340 0.000 0.000 0.207 193 L C 2.181 178.958 176.870 -0.156 0.000 1.086 193 L CA 1.134 55.833 54.840 -0.234 0.000 0.760 193 L CB -0.592 41.425 42.059 -0.069 0.000 0.910 193 L HN 0.237 nan 8.230 nan 0.000 0.437 194 N N 0.407 119.062 118.700 -0.076 0.000 2.166 194 N HA -0.140 4.600 4.740 0.000 0.000 0.186 194 N C 1.892 177.360 175.510 -0.070 0.000 1.019 194 N CA 1.469 54.489 53.050 -0.051 0.000 0.856 194 N CB -0.194 38.283 38.487 -0.016 0.000 0.993 194 N HN 0.288 nan 8.380 nan 0.000 0.426 195 A N 1.355 124.124 122.820 -0.085 0.000 1.908 195 A HA -0.205 4.115 4.320 0.000 0.000 0.218 195 A C 2.173 179.686 177.584 -0.119 0.000 1.181 195 A CA 1.405 53.392 52.037 -0.082 0.000 0.627 195 A CB -0.588 18.373 19.000 -0.064 0.000 0.818 195 A HN 0.378 nan 8.150 nan 0.000 0.445 196 Q N -0.554 119.125 119.800 -0.203 0.000 2.050 196 Q HA -0.131 4.209 4.340 0.000 0.000 0.202 196 Q C 2.041 177.977 176.000 -0.108 0.000 0.980 196 Q CA 1.392 57.079 55.803 -0.194 0.000 0.840 196 Q CB -0.345 28.216 28.738 -0.294 0.000 0.898 196 Q HN 0.615 nan 8.270 nan 0.000 0.424 197 I N 1.303 121.818 120.570 -0.092 0.000 2.194 197 I HA -0.280 3.890 4.170 0.000 0.000 0.246 197 I C 1.957 178.053 176.117 -0.035 0.000 1.093 197 I CA 1.675 62.946 61.300 -0.049 0.000 1.355 197 I CB -0.824 37.154 38.000 -0.038 0.000 1.046 197 I HN 0.238 nan 8.210 nan 0.000 0.413 198 K N 0.776 121.152 120.400 -0.039 0.000 2.103 198 K HA 0.029 4.350 4.320 0.000 0.000 0.204 198 K C 1.822 178.408 176.600 -0.023 0.000 1.052 198 K CA 1.167 57.439 56.287 -0.026 0.000 0.945 198 K CB -0.103 32.383 32.500 -0.024 0.000 0.722 198 K HN 0.248 nan 8.250 nan 0.000 0.443 199 A N 0.292 123.091 122.820 -0.034 0.000 2.276 199 A HA 0.245 4.566 4.320 0.000 0.000 0.212 199 A C 1.221 178.795 177.584 -0.016 0.000 1.230 199 A CA 0.844 52.865 52.037 -0.026 0.000 0.844 199 A CB -0.251 18.726 19.000 -0.038 0.000 0.860 199 A HN 0.441 nan 8.150 nan 0.000 0.486 200 G N -1.909 106.883 108.800 -0.014 0.000 2.480 200 G HA2 0.177 4.138 3.960 0.000 0.000 0.193 200 G HA3 0.177 4.138 3.960 0.000 0.000 0.193 200 G C 0.526 175.423 174.900 -0.004 0.000 1.004 200 G CA -0.137 44.962 45.100 -0.002 0.000 0.696 200 G HN 1.497 nan 8.290 nan 0.000 0.478 201 A N 0.552 123.361 122.820 -0.019 0.000 2.566 201 A HA 0.502 4.822 4.320 0.000 0.000 0.245 201 A C 1.092 178.676 177.584 0.000 0.000 1.056 201 A CA 1.481 53.510 52.037 -0.014 0.000 0.757 201 A CB 0.130 19.108 19.000 -0.037 0.000 0.979 201 A HN 0.558 nan 8.150 nan 0.000 0.508 202 Q N 0.864 120.675 119.800 0.018 0.000 2.352 202 Q HA 0.396 4.736 4.340 0.000 0.000 0.212 202 Q C 0.478 176.503 176.000 0.042 0.000 0.888 202 Q CA 0.712 56.531 55.803 0.027 0.000 0.934 202 Q CB 0.518 29.278 28.738 0.036 0.000 1.093 202 Q HN 0.906 nan 8.270 nan 0.000 0.523 203 A N -0.099 122.759 122.820 0.064 0.000 2.567 203 A HA 0.824 5.144 4.320 0.000 0.000 0.289 203 A C -1.631 176.004 177.584 0.084 0.000 1.177 203 A CA -0.563 51.529 52.037 0.091 0.000 0.694 203 A CB 1.986 21.130 19.000 0.239 0.000 1.292 203 A HN -0.021 nan 8.150 nan 0.000 0.425 204 V N 0.053 120.032 119.914 0.108 0.000 3.147 204 V HA 0.777 4.897 4.120 0.000 0.000 0.299 204 V C -1.577 174.628 176.094 0.184 0.000 1.302 204 V CA -0.355 62.018 62.300 0.122 0.000 1.015 204 V CB 2.188 34.051 31.823 0.067 0.000 1.086 204 V HN 1.231 nan 8.190 nan 0.000 0.437 205 M N 4.922 124.681 119.600 0.267 0.000 2.371 205 M HA 0.672 5.152 4.480 0.000 0.000 0.287 205 M C -2.326 174.238 176.300 0.439 0.000 1.149 205 M CA -0.491 55.002 55.300 0.322 0.000 0.929 205 M CB 1.953 34.776 32.600 0.372 0.000 1.683 205 M HN 0.596 nan 8.290 nan 0.000 0.470 206 I N 4.371 125.148 120.570 0.344 0.000 2.354 206 I HA 0.383 4.553 4.170 0.000 0.000 0.292 206 I C -1.225 175.134 176.117 0.403 0.000 0.989 206 I CA 0.056 61.599 61.300 0.405 0.000 1.188 206 I CB 1.252 39.417 38.000 0.274 0.000 1.342 206 I HN 0.436 nan 8.210 nan 0.000 0.457 207 F N 4.276 124.385 119.950 0.265 0.000 2.371 207 F HA 0.274 4.801 4.527 0.000 0.000 0.363 207 F C 0.694 176.571 175.800 0.129 0.000 1.122 207 F CA -0.817 57.297 58.000 0.191 0.000 1.129 207 F CB 0.744 39.847 39.000 0.170 0.000 1.173 207 F HN 0.421 nan 8.300 nan 0.000 0.489 208 D N 1.522 122.031 120.400 0.182 0.000 3.123 208 D HA 0.009 4.649 4.640 0.000 0.000 0.305 208 D C 1.677 177.999 176.300 0.037 0.000 1.373 208 D CA 0.120 54.247 54.000 0.211 0.000 0.889 208 D CB 0.124 41.089 40.800 0.275 0.000 1.070 208 D HN 0.531 nan 8.370 nan 0.000 0.494 209 T N -1.717 112.750 114.554 -0.144 0.000 2.836 209 T HA -0.221 4.129 4.350 0.000 0.000 0.268 209 T C 1.118 175.432 174.700 -0.644 0.000 1.080 209 T CA 1.209 62.986 62.100 -0.538 0.000 1.128 209 T CB -0.378 68.077 68.868 -0.688 0.000 0.839 209 T HN 0.505 nan 8.240 nan 0.000 0.507 210 W N -0.154 121.282 121.300 0.227 0.000 3.008 210 W HA 0.542 5.203 4.660 0.001 0.000 0.355 210 W C 2.359 179.131 176.519 0.421 0.000 1.095 210 W CA -0.623 56.847 57.345 0.208 0.000 1.738 210 W CB 0.171 29.622 29.460 -0.016 0.000 1.091 210 W HN 0.232 nan 8.180 nan 0.000 0.574 211 G N 1.033 110.153 108.800 0.533 0.000 2.475 211 G HA2 -0.258 3.702 3.960 0.000 0.000 0.220 211 G HA3 -0.258 3.702 3.960 0.000 0.000 0.220 211 G C 1.669 176.653 174.900 0.140 0.000 1.125 211 G CA 1.190 46.494 45.100 0.341 0.000 0.755 211 G HN 0.373 nan 8.290 nan 0.000 0.565 212 G N -0.540 108.331 108.800 0.118 0.000 2.776 212 G HA2 0.109 4.070 3.960 0.000 0.000 0.209 212 G HA3 0.109 4.070 3.960 0.000 0.000 0.209 212 G C 1.128 176.099 174.900 0.118 0.000 1.145 212 G CA 0.547 45.698 45.100 0.084 0.000 0.791 212 G HN 0.358 nan 8.290 nan 0.000 0.530 213 V N 0.340 120.329 119.914 0.125 0.000 3.633 213 V HA 0.417 4.537 4.120 0.000 0.000 0.283 213 V C 0.671 176.806 176.094 0.067 0.000 1.305 213 V CA 0.129 62.477 62.300 0.080 0.000 1.153 213 V CB -0.387 31.404 31.823 -0.052 0.000 0.950 213 V HN 0.181 nan 8.190 nan 0.000 0.432 214 L N -0.699 120.554 121.223 0.051 0.000 2.332 214 L HA 0.494 4.834 4.340 0.000 0.000 0.269 214 L C 0.774 177.726 176.870 0.137 0.000 1.016 214 L CA -0.572 54.274 54.840 0.009 0.000 0.809 214 L CB 1.495 43.423 42.059 -0.217 0.000 1.280 214 L HN -0.080 nan 8.230 nan 0.000 0.447 215 T N 0.130 114.739 114.554 0.093 0.000 2.748 215 T HA 0.038 4.388 4.350 0.000 0.000 0.304 215 T C 1.142 175.747 174.700 -0.159 0.000 1.041 215 T CA 0.375 62.538 62.100 0.105 0.000 1.033 215 T CB 1.055 69.979 68.868 0.093 0.000 0.995 215 T HN 0.871 nan 8.240 nan 0.000 0.536 216 G N -0.177 108.446 108.800 -0.294 0.000 2.464 216 G HA2 -0.117 3.843 3.960 0.000 0.000 0.217 216 G HA3 -0.117 3.843 3.960 0.000 0.000 0.217 216 G C 1.515 176.146 174.900 -0.448 0.000 1.138 216 G CA 0.340 44.822 45.100 -1.029 0.000 0.793 216 G HN 0.642 nan 8.290 nan 0.000 0.539 217 R N 0.622 121.019 120.500 -0.172 0.000 2.055 217 R HA -0.053 4.287 4.340 0.000 0.000 0.228 217 R C 1.792 178.065 176.300 -0.046 0.000 1.143 217 R CA 1.664 57.719 56.100 -0.075 0.000 0.945 217 R CB -0.436 29.869 30.300 0.008 0.000 0.841 217 R HN 0.142 nan 8.270 nan 0.000 0.429 218 D N -0.209 120.215 120.400 0.039 0.000 2.219 218 D HA -0.177 4.463 4.640 0.000 0.000 0.205 218 D C 1.680 177.988 176.300 0.014 0.000 0.970 218 D CA 0.902 55.010 54.000 0.179 0.000 0.851 218 D CB -0.279 40.624 40.800 0.172 0.000 0.943 218 D HN 0.311 nan 8.370 nan 0.000 0.488 219 Y N 1.797 121.904 120.300 -0.321 0.000 2.224 219 Y HA -0.190 4.360 4.550 0.000 0.000 0.289 219 Y C 2.211 177.926 175.900 -0.307 0.000 1.146 219 Y CA 1.602 59.428 58.100 -0.457 0.000 1.182 219 Y CB -0.144 37.814 38.460 -0.836 0.000 0.983 219 Y HN -0.060 nan 8.280 nan 0.000 0.524 220 Q N -0.565 118.985 119.800 -0.417 0.000 2.137 220 Q HA -0.155 4.185 4.340 0.000 0.000 0.198 220 Q C 2.254 178.109 176.000 -0.242 0.000 0.960 220 Q CA 1.341 56.927 55.803 -0.362 0.000 0.847 220 Q CB -0.011 28.600 28.738 -0.212 0.000 0.915 220 Q HN 0.624 nan 8.270 nan 0.000 0.448 221 Q N -0.395 119.279 119.800 -0.210 0.000 2.016 221 Q HA -0.102 4.238 4.340 0.000 0.000 0.200 221 Q C 1.097 176.928 176.000 -0.282 0.000 0.978 221 Q CA 1.236 56.839 55.803 -0.333 0.000 0.833 221 Q CB 0.105 28.519 28.738 -0.540 0.000 0.895 221 Q HN 0.335 nan 8.270 nan 0.000 0.427 222 F N -1.263 118.699 119.950 0.020 0.000 2.727 222 F HA 0.214 4.741 4.527 0.001 0.000 0.302 222 F C 1.749 177.563 175.800 0.024 0.000 1.097 222 F CA -0.037 58.020 58.000 0.095 0.000 1.330 222 F CB 0.645 39.561 39.000 -0.139 0.000 1.084 222 F HN -0.041 nan 8.300 nan 0.000 0.578 223 S N -0.867 114.834 115.700 0.002 0.000 3.624 223 S HA 0.187 4.657 4.470 0.000 0.000 0.244 223 S C 1.691 176.235 174.600 -0.094 0.000 1.115 223 S CA -0.104 58.059 58.200 -0.063 0.000 0.820 223 S CB -0.635 62.344 63.200 -0.368 0.000 0.964 223 S HN 0.185 nan 8.310 nan 0.000 0.508 224 L N 1.117 122.076 121.223 -0.438 0.000 1.989 224 L HA -0.089 4.251 4.340 0.000 0.000 0.211 224 L C 2.364 179.196 176.870 -0.063 0.000 1.071 224 L CA 2.381 57.056 54.840 -0.274 0.000 0.749 224 L CB -0.655 41.191 42.059 -0.354 0.000 0.890 224 L HN 0.605 nan 8.230 nan 0.000 0.431 225 Y N -0.101 120.090 120.300 -0.180 0.000 2.096 225 Y HA -0.382 4.168 4.550 0.000 0.000 0.278 225 Y C 2.292 178.044 175.900 -0.247 0.000 1.192 225 Y CA 2.128 60.065 58.100 -0.273 0.000 1.143 225 Y CB -0.714 37.444 38.460 -0.504 0.000 0.963 225 Y HN 0.170 nan 8.280 nan 0.000 0.505 226 Y N -1.134 119.127 120.300 -0.065 0.000 2.314 226 Y HA -0.186 4.364 4.550 0.000 0.000 0.293 226 Y C 2.581 178.450 175.900 -0.052 0.000 1.129 226 Y CA 1.405 59.464 58.100 -0.068 0.000 1.201 226 Y CB -0.386 38.159 38.460 0.142 0.000 0.999 226 Y HN 0.144 nan 8.280 nan 0.000 0.541 227 M N -1.275 118.404 119.600 0.132 0.000 2.200 227 M HA -0.202 4.278 4.480 0.000 0.000 0.265 227 M C 2.105 178.442 176.300 0.062 0.000 1.066 227 M CA 1.628 56.998 55.300 0.117 0.000 1.127 227 M CB -0.490 32.183 32.600 0.123 0.000 1.379 227 M HN 0.392 nan 8.290 nan 0.000 0.420 228 H N 0.511 119.505 119.070 -0.128 0.000 2.319 228 H HA -0.178 4.378 4.556 0.000 0.000 0.297 228 H C 2.175 177.380 175.328 -0.206 0.000 1.097 228 H CA 1.343 57.289 56.048 -0.170 0.000 1.285 228 H CB 0.300 29.919 29.762 -0.239 0.000 1.368 228 H HN 0.027 nan 8.280 nan 0.000 0.495 229 K N 0.684 120.982 120.400 -0.169 0.000 2.044 229 K HA -0.163 4.157 4.320 0.000 0.000 0.210 229 K C 2.283 178.866 176.600 -0.028 0.000 1.049 229 K CA 1.577 57.745 56.287 -0.198 0.000 0.927 229 K CB -0.411 31.899 32.500 -0.317 0.000 0.713 229 K HN 0.453 nan 8.250 nan 0.000 0.443 230 I N 0.569 121.149 120.570 0.017 0.000 2.118 230 I HA -0.311 3.859 4.170 0.000 0.000 0.241 230 I C 2.310 178.451 176.117 0.041 0.000 1.070 230 I CA 1.167 62.497 61.300 0.051 0.000 1.327 230 I CB -0.540 37.510 38.000 0.084 0.000 1.034 230 I HN -0.128 nan 8.210 nan 0.000 0.405 231 V N 0.759 120.695 119.914 0.038 0.000 2.332 231 V HA -0.295 3.825 4.120 0.000 0.000 0.248 231 V C 1.946 178.057 176.094 0.028 0.000 1.055 231 V CA 2.059 64.371 62.300 0.020 0.000 1.038 231 V CB -0.757 31.050 31.823 -0.027 0.000 0.651 231 V HN 0.392 nan 8.190 nan 0.000 0.450 232 D N 0.574 121.009 120.400 0.059 0.000 2.310 232 D HA -0.053 4.587 4.640 0.000 0.000 0.212 232 D C 1.917 178.231 176.300 0.025 0.000 0.965 232 D CA 1.426 55.457 54.000 0.052 0.000 0.879 232 D CB -0.149 40.685 40.800 0.057 0.000 0.921 232 D HN 0.527 nan 8.370 nan 0.000 0.510 233 G N -0.849 107.964 108.800 0.022 0.000 3.192 233 G HA2 0.233 4.193 3.960 0.000 0.000 0.239 233 G HA3 0.233 4.193 3.960 0.000 0.000 0.239 233 G C 0.421 175.333 174.900 0.020 0.000 1.084 233 G CA -0.275 44.837 45.100 0.019 0.000 0.784 233 G HN 0.122 nan 8.290 nan 0.000 0.540 234 L N 1.637 122.872 121.223 0.020 0.000 2.375 234 L HA 0.460 4.800 4.340 0.000 0.000 0.271 234 L C 0.392 177.268 176.870 0.009 0.000 1.107 234 L CA -0.948 53.901 54.840 0.015 0.000 0.806 234 L CB 1.766 43.836 42.059 0.019 0.000 1.146 234 L HN 0.127 nan 8.230 nan 0.000 0.447 235 L N 1.028 122.254 121.223 0.004 0.000 2.261 235 L HA 0.406 4.746 4.340 0.000 0.000 0.289 235 L C 1.037 177.907 176.870 -0.000 0.000 1.059 235 L CA -0.691 54.150 54.840 0.002 0.000 0.816 235 L CB 0.707 42.766 42.059 -0.000 0.000 1.191 235 L HN 0.736 nan 8.230 nan 0.000 0.431 236 R N 1.672 122.172 120.500 -0.000 0.000 2.339 236 R HA 0.146 4.486 4.340 0.000 0.000 0.199 236 R C 0.016 176.313 176.300 -0.005 0.000 1.018 236 R CA 0.379 56.477 56.100 -0.003 0.000 1.036 236 R CB -0.006 30.292 30.300 -0.004 0.000 0.899 236 R HN 0.837 nan 8.270 nan 0.000 0.473 237 E N 0.370 120.567 120.200 -0.003 0.000 2.356 237 E HA 0.365 4.715 4.350 0.000 0.000 0.275 237 E C -1.690 174.909 176.600 -0.003 0.000 0.904 237 E CA -0.842 55.556 56.400 -0.004 0.000 0.757 237 E CB 1.651 31.349 29.700 -0.003 0.000 1.232 237 E HN 0.233 nan 8.360 nan 0.000 0.442 238 N N 2.365 121.064 118.700 -0.002 0.000 3.340 238 N HA 0.051 4.791 4.740 0.000 0.000 0.234 238 N C -1.560 173.950 175.510 -0.000 0.000 1.196 238 N CA -0.289 52.760 53.050 -0.002 0.000 0.958 238 N CB 1.302 39.787 38.487 -0.004 0.000 1.608 238 N HN 0.642 nan 8.380 nan 0.000 0.515 239 D N 1.630 122.031 120.400 0.001 0.000 2.751 239 D HA -0.162 4.478 4.640 0.000 0.000 0.233 239 D C 0.863 177.164 176.300 0.003 0.000 1.149 239 D CA 2.581 56.583 54.000 0.003 0.000 0.682 239 D CB -1.262 39.541 40.800 0.005 0.000 1.068 239 D HN 1.068 nan 8.370 nan 0.000 0.429 240 G N -0.789 108.012 108.800 0.002 0.000 2.189 240 G HA2 -0.379 3.581 3.960 0.000 0.000 0.267 240 G HA3 -0.379 3.581 3.960 0.000 0.000 0.267 240 G C 0.480 175.380 174.900 -0.000 0.000 0.975 240 G CA 0.729 45.830 45.100 0.001 0.000 0.644 240 G HN 0.642 nan 8.290 nan 0.000 0.537 241 R N -0.038 120.461 120.500 -0.001 0.000 2.778 241 R HA 0.580 4.920 4.340 0.000 0.000 0.277 241 R C 0.274 176.571 176.300 -0.006 0.000 0.977 241 R CA -1.144 54.954 56.100 -0.003 0.000 0.950 241 R CB 0.959 31.258 30.300 -0.002 0.000 1.165 241 R HN 0.274 nan 8.270 nan 0.000 0.474 242 R N 1.323 121.817 120.500 -0.010 0.000 2.347 242 R HA 0.183 4.523 4.340 0.000 0.000 0.304 242 R C -0.581 175.708 176.300 -0.017 0.000 1.072 242 R CA -0.373 55.719 56.100 -0.013 0.000 0.980 242 R CB 0.074 30.364 30.300 -0.016 0.000 0.986 242 R HN 0.219 nan 8.270 nan 0.000 0.448 243 V N 5.599 125.506 119.914 -0.013 0.000 2.406 243 V HA 0.267 4.387 4.120 0.000 0.000 0.272 243 V C -1.906 174.177 176.094 -0.018 0.000 1.043 243 V CA -1.897 60.396 62.300 -0.012 0.000 0.915 243 V CB 1.269 33.091 31.823 -0.003 0.000 0.988 243 V HN 0.663 nan 8.190 nan 0.000 0.466 244 P HA 0.407 nan 4.420 nan 0.000 0.276 244 P C -1.091 176.207 177.300 -0.004 0.000 1.244 244 P CA -0.306 62.766 63.100 -0.047 0.000 0.801 244 P CB 0.933 32.555 31.700 -0.131 0.000 1.006 245 V N 1.205 121.121 119.914 0.004 0.000 2.577 245 V HA 0.438 4.559 4.120 0.000 0.000 0.303 245 V C -0.320 175.804 176.094 0.051 0.000 1.042 245 V CA -0.389 61.934 62.300 0.039 0.000 0.872 245 V CB 1.905 33.747 31.823 0.031 0.000 0.998 245 V HN 0.464 nan 8.190 nan 0.000 0.423 246 T N 6.112 120.722 114.554 0.093 0.000 2.807 246 T HA 0.695 5.045 4.350 0.000 0.000 0.279 246 T C -0.425 174.343 174.700 0.115 0.000 0.993 246 T CA -0.404 61.754 62.100 0.096 0.000 0.970 246 T CB 1.223 70.167 68.868 0.127 0.000 0.950 246 T HN 0.381 nan 8.240 nan 0.000 0.441 247 L N 3.008 124.297 121.223 0.110 0.000 2.331 247 L HA 0.727 5.067 4.340 0.000 0.000 0.275 247 L C -0.993 176.004 176.870 0.211 0.000 1.022 247 L CA -1.032 53.899 54.840 0.152 0.000 0.812 247 L CB 1.352 43.493 42.059 0.138 0.000 1.257 247 L HN 0.557 nan 8.230 nan 0.000 0.435 248 F N 1.090 121.031 119.950 -0.015 0.000 3.051 248 F HA 0.340 4.868 4.527 0.001 0.000 0.363 248 F C -0.761 175.027 175.800 -0.021 0.000 1.257 248 F CA -0.728 57.224 58.000 -0.080 0.000 1.126 248 F CB 1.435 40.268 39.000 -0.278 0.000 1.476 248 F HN 0.252 nan 8.300 nan 0.000 0.576 249 T N 6.079 120.623 114.554 -0.015 0.000 2.929 249 T HA 0.216 4.566 4.350 0.000 0.000 0.331 249 T C -0.168 174.310 174.700 -0.369 0.000 1.120 249 T CA -0.717 61.288 62.100 -0.160 0.000 0.973 249 T CB 0.219 69.145 68.868 0.097 0.000 1.036 249 T HN 0.609 nan 8.240 nan 0.000 0.502 250 K N 2.143 122.093 120.400 -0.750 0.000 2.491 250 K HA 0.268 4.588 4.320 0.000 0.000 0.279 250 K C 1.317 177.740 176.600 -0.295 0.000 1.026 250 K CA 0.730 56.672 56.287 -0.576 0.000 1.070 250 K CB -0.158 32.010 32.500 -0.553 0.000 0.887 250 K HN 0.640 nan 8.250 nan 0.000 0.481 251 G N 2.869 111.512 108.800 -0.262 0.000 2.383 251 G HA2 -0.307 3.653 3.960 0.000 0.000 0.229 251 G HA3 -0.307 3.653 3.960 0.000 0.000 0.229 251 G C 0.735 175.452 174.900 -0.305 0.000 1.089 251 G CA 0.013 44.959 45.100 -0.257 0.000 0.640 251 G HN 1.024 nan 8.290 nan 0.000 0.510 252 G N 1.314 109.948 108.800 -0.276 0.000 3.356 252 G HA2 0.455 4.415 3.960 0.000 0.000 0.239 252 G HA3 0.455 4.415 3.960 0.000 0.000 0.239 252 G C 1.321 176.009 174.900 -0.353 0.000 1.252 252 G CA 1.010 45.862 45.100 -0.413 0.000 1.611 252 G HN 1.352 nan 8.290 nan 0.000 0.580 253 G N 0.854 109.452 108.800 -0.338 0.000 2.448 253 G HA2 -0.212 3.748 3.960 0.000 0.000 0.219 253 G HA3 -0.212 3.748 3.960 0.000 0.000 0.219 253 G C 1.772 176.524 174.900 -0.246 0.000 1.127 253 G CA 1.040 46.003 45.100 -0.228 0.000 0.766 253 G HN 0.596 nan 8.290 nan 0.000 0.552 254 Q N -0.073 119.455 119.800 -0.452 0.000 2.187 254 Q HA -0.099 4.241 4.340 0.000 0.000 0.199 254 Q C 2.019 177.940 176.000 -0.131 0.000 0.957 254 Q CA 0.734 56.302 55.803 -0.391 0.000 0.857 254 Q CB -0.855 27.498 28.738 -0.641 0.000 0.929 254 Q HN 0.812 nan 8.270 nan 0.000 0.453 255 W N 0.846 122.087 121.300 -0.097 0.000 2.961 255 W HA 0.130 4.790 4.660 -0.000 0.000 0.240 255 W C 1.792 178.323 176.519 0.020 0.000 1.305 255 W CA -0.934 56.383 57.345 -0.045 0.000 1.465 255 W CB 0.036 29.381 29.460 -0.193 0.000 1.135 255 W HN 0.047 nan 8.180 nan 0.000 0.688 256 L N 1.494 122.815 121.223 0.164 0.000 2.151 256 L HA -0.289 4.052 4.340 0.000 0.000 0.215 256 L C 2.165 179.103 176.870 0.115 0.000 1.084 256 L CA 2.034 56.939 54.840 0.109 0.000 0.764 256 L CB -0.630 41.448 42.059 0.031 0.000 0.891 256 L HN 0.203 nan 8.230 nan 0.000 0.435 257 E N -0.601 119.673 120.200 0.122 0.000 2.046 257 E HA -0.142 4.209 4.350 0.000 0.000 0.190 257 E C 2.165 178.829 176.600 0.107 0.000 0.982 257 E CA 1.205 57.663 56.400 0.097 0.000 0.800 257 E CB -0.164 29.590 29.700 0.090 0.000 0.756 257 E HN 0.517 nan 8.360 nan 0.000 0.449 258 A N 1.907 124.817 122.820 0.150 0.000 1.877 258 A HA -0.164 4.156 4.320 0.000 0.000 0.216 258 A C 2.365 180.018 177.584 0.116 0.000 1.186 258 A CA 1.613 53.728 52.037 0.130 0.000 0.620 258 A CB -0.624 18.466 19.000 0.151 0.000 0.822 258 A HN 0.132 nan 8.150 nan 0.000 0.443 259 M N -0.259 119.438 119.600 0.163 0.000 2.089 259 M HA -0.254 4.226 4.480 0.000 0.000 0.257 259 M C 2.482 178.815 176.300 0.054 0.000 1.071 259 M CA 1.752 57.131 55.300 0.131 0.000 1.096 259 M CB -0.637 32.072 32.600 0.182 0.000 1.330 259 M HN 0.475 nan 8.290 nan 0.000 0.403 260 A N -0.007 122.846 122.820 0.054 0.000 1.978 260 A HA -0.145 4.176 4.320 0.000 0.000 0.220 260 A C 1.860 179.439 177.584 -0.008 0.000 1.170 260 A CA 1.461 53.511 52.037 0.023 0.000 0.636 260 A CB -0.504 18.514 19.000 0.030 0.000 0.810 260 A HN 0.415 nan 8.150 nan 0.000 0.448 261 E N -0.241 119.959 120.200 0.001 0.000 2.516 261 E HA -0.042 4.308 4.350 0.000 0.000 0.199 261 E C 1.550 178.077 176.600 -0.122 0.000 1.069 261 E CA 0.778 57.169 56.400 -0.014 0.000 0.876 261 E CB -0.714 29.008 29.700 0.036 0.000 0.843 261 E HN 0.567 nan 8.360 nan 0.000 0.530 262 T N -0.705 113.733 114.554 -0.194 0.000 2.867 262 T HA -0.013 4.337 4.350 0.000 0.000 0.268 262 T C 1.457 175.768 174.700 -0.649 0.000 1.057 262 T CA 1.446 63.247 62.100 -0.499 0.000 1.136 262 T CB 0.082 68.805 68.868 -0.242 0.000 0.874 262 T HN 0.479 nan 8.240 nan 0.000 0.466 263 G N 0.259 108.884 108.800 -0.291 0.000 2.391 263 G HA2 -0.258 3.702 3.960 0.000 0.000 0.204 263 G HA3 -0.258 3.702 3.960 0.000 0.000 0.204 263 G C 0.639 175.477 174.900 -0.103 0.000 1.012 263 G CA -0.244 44.746 45.100 -0.183 0.000 0.651 263 G HN 0.907 nan 8.290 nan 0.000 0.494 264 C N 1.347 120.585 119.300 -0.103 0.000 2.641 264 C HA 0.515 4.975 4.460 0.000 0.000 0.412 264 C C 1.556 176.533 174.990 -0.021 0.000 1.312 264 C CA 0.501 59.495 59.018 -0.041 0.000 1.838 264 C CB 0.463 28.194 27.740 -0.015 0.000 2.682 264 C HN 0.434 nan 8.230 nan 0.000 0.627 265 D N 1.813 122.208 120.400 -0.009 0.000 2.183 265 D HA 0.186 4.826 4.640 0.000 0.000 0.205 265 D C 0.933 177.236 176.300 0.005 0.000 0.962 265 D CA 1.800 55.795 54.000 -0.008 0.000 0.849 265 D CB 0.070 40.858 40.800 -0.020 0.000 0.978 265 D HN 0.930 nan 8.370 nan 0.000 0.488 266 A N 0.299 123.128 122.820 0.014 0.000 2.454 266 A HA 0.686 5.006 4.320 0.000 0.000 0.302 266 A C -1.130 176.477 177.584 0.038 0.000 1.079 266 A CA -0.544 51.509 52.037 0.026 0.000 0.731 266 A CB 1.518 20.530 19.000 0.021 0.000 1.299 266 A HN 0.063 nan 8.150 nan 0.000 0.413 267 L N 1.596 122.840 121.223 0.036 0.000 2.346 267 L HA 0.645 4.985 4.340 0.000 0.000 0.276 267 L C 0.770 177.630 176.870 -0.016 0.000 1.006 267 L CA -0.753 54.114 54.840 0.044 0.000 0.817 267 L CB 2.171 44.267 42.059 0.061 0.000 1.272 267 L HN 0.894 nan 8.230 nan 0.000 0.421 268 G N 2.739 111.506 108.800 -0.055 0.000 2.477 268 G HA2 0.742 4.702 3.960 0.000 0.000 0.304 268 G HA3 0.742 4.702 3.960 0.000 0.000 0.304 268 G C -0.836 173.960 174.900 -0.173 0.000 1.175 268 G CA -0.377 44.504 45.100 -0.366 0.000 0.907 268 G HN 0.401 nan 8.290 nan 0.000 0.509 269 L N -0.439 120.615 121.223 -0.283 0.000 2.403 269 L HA 0.550 4.890 4.340 0.000 0.000 0.253 269 L C -1.113 175.752 176.870 -0.007 0.000 1.045 269 L CA -1.051 53.764 54.840 -0.041 0.000 0.845 269 L CB 2.872 44.886 42.059 -0.074 0.000 1.447 269 L HN 0.806 nan 8.230 nan 0.000 0.411 270 D N -2.515 117.885 120.400 0.001 0.000 2.547 270 D HA 0.239 4.880 4.640 0.000 0.000 0.231 270 D C 0.137 176.379 176.300 -0.097 0.000 1.099 270 D CA -0.878 53.089 54.000 -0.054 0.000 0.901 270 D CB 0.800 41.410 40.800 -0.317 0.000 1.478 270 D HN 0.606 nan 8.370 nan 0.000 0.471 271 W N 0.205 121.494 121.300 -0.019 0.000 2.547 271 W HA -0.064 4.596 4.660 -0.000 0.000 0.262 271 W C 0.546 177.046 176.519 -0.031 0.000 1.213 271 W CA 0.698 58.025 57.345 -0.031 0.000 1.191 271 W CB -1.122 28.325 29.460 -0.023 0.000 1.142 271 W HN 0.227 nan 8.180 nan 0.000 0.611 272 T N -0.170 114.157 114.554 -0.378 0.000 3.067 272 T HA 0.006 4.356 4.350 0.000 0.000 0.261 272 T C 0.509 175.109 174.700 -0.168 0.000 1.110 272 T CA 1.103 63.026 62.100 -0.294 0.000 1.113 272 T CB -0.100 68.526 68.868 -0.405 0.000 0.917 272 T HN 0.035 nan 8.240 nan 0.000 0.499 273 T N 2.249 116.720 114.554 -0.138 0.000 2.823 273 T HA 0.255 4.605 4.350 0.000 0.000 0.279 273 T C -0.696 173.966 174.700 -0.064 0.000 0.998 273 T CA -0.808 61.229 62.100 -0.105 0.000 0.994 273 T CB 1.880 70.683 68.868 -0.109 0.000 0.960 273 T HN 0.047 nan 8.240 nan 0.000 0.448 274 D N 2.128 122.492 120.400 -0.059 0.000 2.343 274 D HA 0.081 4.721 4.640 0.000 0.000 0.255 274 D C 1.052 177.316 176.300 -0.060 0.000 1.187 274 D CA -0.437 53.535 54.000 -0.048 0.000 0.875 274 D CB 0.856 41.628 40.800 -0.045 0.000 1.136 274 D HN 0.268 nan 8.370 nan 0.000 0.469 275 I N 4.734 125.266 120.570 -0.063 0.000 2.091 275 I HA -0.290 3.880 4.170 0.000 0.000 0.239 275 I C 2.624 178.689 176.117 -0.086 0.000 1.061 275 I CA 1.509 62.765 61.300 -0.073 0.000 1.317 275 I CB -1.169 36.771 38.000 -0.099 0.000 1.031 275 I HN 0.491 nan 8.210 nan 0.000 0.401 276 A N 0.303 123.061 122.820 -0.105 0.000 1.892 276 A HA -0.350 3.970 4.320 0.000 0.000 0.218 276 A C 2.121 179.633 177.584 -0.120 0.000 1.188 276 A CA 2.543 54.496 52.037 -0.140 0.000 0.631 276 A CB -1.256 17.676 19.000 -0.114 0.000 0.822 276 A HN 0.526 nan 8.150 nan 0.000 0.447 277 D N -0.489 119.860 120.400 -0.086 0.000 2.103 277 D HA -0.100 4.540 4.640 0.000 0.000 0.190 277 D C 2.104 178.360 176.300 -0.073 0.000 0.997 277 D CA 2.149 56.106 54.000 -0.073 0.000 0.833 277 D CB -0.308 40.455 40.800 -0.062 0.000 0.961 277 D HN 0.367 nan 8.370 nan 0.000 0.447 278 A N 0.384 123.164 122.820 -0.068 0.000 1.892 278 A HA -0.244 4.076 4.320 0.000 0.000 0.218 278 A C 2.330 179.877 177.584 -0.062 0.000 1.188 278 A CA 1.974 53.980 52.037 -0.052 0.000 0.631 278 A CB -0.784 18.193 19.000 -0.038 0.000 0.822 278 A HN 0.283 nan 8.150 nan 0.000 0.447 279 R N -0.718 119.718 120.500 -0.106 0.000 2.115 279 R HA -0.120 4.220 4.340 0.000 0.000 0.230 279 R C 2.363 178.566 176.300 -0.162 0.000 1.111 279 R CA 1.291 57.283 56.100 -0.180 0.000 0.976 279 R CB -0.243 29.799 30.300 -0.431 0.000 0.870 279 R HN 0.494 nan 8.270 nan 0.000 0.445 280 R N 0.981 121.399 120.500 -0.136 0.000 2.235 280 R HA -0.058 4.282 4.340 0.000 0.000 0.213 280 R C 1.080 177.340 176.300 -0.066 0.000 1.059 280 R CA 1.189 57.228 56.100 -0.102 0.000 0.997 280 R CB 0.007 30.255 30.300 -0.088 0.000 0.884 280 R HN 0.255 nan 8.270 nan 0.000 0.462 281 R N -0.115 120.352 120.500 -0.056 0.000 2.308 281 R HA 0.070 4.410 4.340 0.000 0.000 0.202 281 R C 1.530 177.819 176.300 -0.018 0.000 0.898 281 R CA 0.854 56.935 56.100 -0.031 0.000 1.046 281 R CB 0.805 31.090 30.300 -0.024 0.000 1.026 281 R HN 0.246 nan 8.270 nan 0.000 0.512 282 V N -6.126 113.773 119.914 -0.025 0.000 3.406 282 V HA 0.318 4.438 4.120 0.000 0.000 0.266 282 V C 1.646 177.732 176.094 -0.012 0.000 1.697 282 V CA 0.425 62.721 62.300 -0.007 0.000 1.046 282 V CB 0.006 31.837 31.823 0.012 0.000 0.879 282 V HN 0.110 nan 8.190 nan 0.000 0.399 283 G N 2.084 110.858 108.800 -0.043 0.000 2.703 283 G HA2 -0.416 3.545 3.960 0.000 0.000 0.222 283 G HA3 -0.416 3.545 3.960 0.000 0.000 0.222 283 G C 0.875 175.760 174.900 -0.026 0.000 1.183 283 G CA 1.880 46.943 45.100 -0.062 0.000 0.775 283 G HN 0.710 nan 8.290 nan 0.000 0.615 284 N N -0.613 118.068 118.700 -0.031 0.000 3.245 284 N HA 0.336 5.076 4.740 0.000 0.000 0.296 284 N C 0.585 176.095 175.510 -0.001 0.000 1.254 284 N CA 0.280 53.323 53.050 -0.012 0.000 1.190 284 N CB 0.129 38.606 38.487 -0.017 0.000 1.460 284 N HN 0.412 nan 8.380 nan 0.000 0.538 285 K N -0.161 120.244 120.400 0.008 0.000 2.432 285 K HA 0.173 4.493 4.320 0.000 0.000 0.143 285 K C -1.338 175.272 176.600 0.017 0.000 2.184 285 K CA 0.279 56.572 56.287 0.010 0.000 1.300 285 K CB 0.453 32.958 32.500 0.008 0.000 2.435 285 K HN 0.031 nan 8.250 nan 0.000 0.512 286 V N 1.428 121.359 119.914 0.027 0.000 3.012 286 V HA 0.749 4.869 4.120 0.000 0.000 0.307 286 V C -0.935 175.199 176.094 0.067 0.000 1.166 286 V CA -0.759 61.563 62.300 0.037 0.000 0.974 286 V CB 1.696 33.538 31.823 0.032 0.000 1.040 286 V HN 0.310 nan 8.190 nan 0.000 0.428 287 A N 3.925 126.787 122.820 0.070 0.000 2.351 287 A HA 0.838 5.158 4.320 0.000 0.000 0.257 287 A C -0.630 177.017 177.584 0.106 0.000 1.087 287 A CA -0.231 51.872 52.037 0.110 0.000 0.798 287 A CB 0.329 19.371 19.000 0.070 0.000 1.033 287 A HN 0.752 nan 8.150 nan 0.000 0.488 288 L N 0.641 121.955 121.223 0.153 0.000 2.334 288 L HA 0.539 4.879 4.340 0.000 0.000 0.273 288 L C 0.067 176.977 176.870 0.067 0.000 1.013 288 L CA -0.447 54.458 54.840 0.108 0.000 0.816 288 L CB 1.716 43.875 42.059 0.167 0.000 1.278 288 L HN 0.833 nan 8.230 nan 0.000 0.431 289 Q N 1.179 120.958 119.800 -0.035 0.000 2.333 289 Q HA 0.508 4.848 4.340 0.000 0.000 0.268 289 Q C 0.215 176.067 176.000 -0.247 0.000 1.007 289 Q CA -0.078 55.649 55.803 -0.127 0.000 0.810 289 Q CB 1.968 30.620 28.738 -0.142 0.000 1.264 289 Q HN 0.834 nan 8.270 nan 0.000 0.452 290 G N 3.258 111.891 108.800 -0.279 0.000 2.681 290 G HA2 -0.358 3.603 3.960 0.000 0.000 0.320 290 G HA3 -0.358 3.603 3.960 0.000 0.000 0.320 290 G C 0.203 174.909 174.900 -0.322 0.000 1.339 290 G CA 0.535 45.403 45.100 -0.387 0.000 0.916 290 G HN 0.887 nan 8.290 nan 0.000 0.559 291 N N -2.457 116.072 118.700 -0.285 0.000 2.179 291 N HA -0.107 4.633 4.740 0.000 0.000 0.315 291 N C 0.836 176.377 175.510 0.051 0.000 1.141 291 N CA 0.760 53.741 53.050 -0.115 0.000 0.892 291 N CB -0.456 37.938 38.487 -0.155 0.000 1.942 291 N HN 0.803 nan 8.380 nan 0.000 0.827 292 M N 1.725 121.333 119.600 0.014 0.000 2.219 292 M HA 0.059 4.539 4.480 0.000 0.000 0.307 292 M C -0.318 176.014 176.300 0.053 0.000 1.116 292 M CA 0.550 55.911 55.300 0.103 0.000 1.181 292 M CB 0.419 33.155 32.600 0.226 0.000 1.410 292 M HN 0.020 nan 8.290 nan 0.000 0.454 293 D N 2.697 122.986 120.400 -0.185 0.000 2.280 293 D HA 0.258 4.898 4.640 0.000 0.000 0.243 293 D C -2.052 173.923 176.300 -0.541 0.000 1.129 293 D CA -1.897 51.670 54.000 -0.722 0.000 0.848 293 D CB 1.558 41.759 40.800 -0.998 0.000 1.107 293 D HN 0.290 nan 8.370 nan 0.000 0.471 294 P HA -0.099 nan 4.420 nan 0.000 0.217 294 P C 1.131 178.135 177.300 -0.494 0.000 1.148 294 P CA 0.909 63.752 63.100 -0.428 0.000 0.828 294 P CB 0.348 31.888 31.700 -0.267 0.000 0.783 295 S N -1.173 114.243 115.700 -0.473 0.000 2.447 295 S HA -0.128 4.342 4.470 0.000 0.000 0.233 295 S C 1.745 176.170 174.600 -0.291 0.000 1.006 295 S CA 0.966 58.945 58.200 -0.369 0.000 0.957 295 S CB -0.788 62.306 63.200 -0.177 0.000 0.773 295 S HN 0.105 nan 8.310 nan 0.000 0.507 296 M N 1.739 121.160 119.600 -0.298 0.000 2.358 296 M HA 0.076 4.556 4.480 0.000 0.000 0.264 296 M C 1.385 177.572 176.300 -0.189 0.000 1.064 296 M CA 1.271 56.458 55.300 -0.189 0.000 1.093 296 M CB -0.834 31.666 32.600 -0.166 0.000 1.401 296 M HN 0.246 nan 8.290 nan 0.000 0.440 297 L N -1.205 119.823 121.223 -0.325 0.000 2.549 297 L HA -0.175 4.165 4.340 0.000 0.000 0.229 297 L C 1.292 178.098 176.870 -0.106 0.000 1.158 297 L CA 0.431 55.096 54.840 -0.290 0.000 0.842 297 L CB -0.685 41.121 42.059 -0.422 0.000 0.952 297 L HN 0.277 nan 8.230 nan 0.000 0.452 298 Y N -0.107 120.196 120.300 0.005 0.000 2.420 298 Y HA 0.178 4.728 4.550 0.000 0.000 0.292 298 Y C 1.849 177.811 175.900 0.103 0.000 1.119 298 Y CA -0.402 57.744 58.100 0.076 0.000 1.229 298 Y CB -0.641 37.813 38.460 -0.010 0.000 1.026 298 Y HN 0.063 nan 8.280 nan 0.000 0.554 299 A N 1.352 124.253 122.820 0.136 0.000 2.455 299 A HA 0.195 4.516 4.320 0.000 0.000 0.244 299 A C -2.305 175.274 177.584 -0.008 0.000 1.099 299 A CA -0.927 51.142 52.037 0.054 0.000 0.786 299 A CB -0.678 18.315 19.000 -0.011 0.000 1.051 299 A HN 0.019 nan 8.150 nan 0.000 0.508 300 P HA 0.158 nan 4.420 nan 0.000 0.275 300 P C -1.775 175.434 177.300 -0.151 0.000 1.227 300 P CA -1.213 61.870 63.100 -0.029 0.000 0.781 300 P CB 0.338 32.050 31.700 0.019 0.000 0.906 301 P HA -0.387 nan 4.420 nan 0.000 0.219 301 P C 1.188 178.428 177.300 -0.100 0.000 1.159 301 P CA 2.503 65.490 63.100 -0.189 0.000 0.944 301 P CB -0.539 31.111 31.700 -0.083 0.000 0.792 302 A N -0.295 122.493 122.820 -0.053 0.000 1.940 302 A HA -0.296 4.024 4.320 0.000 0.000 0.221 302 A C 2.473 180.037 177.584 -0.032 0.000 1.190 302 A CA 2.969 54.987 52.037 -0.032 0.000 0.647 302 A CB -1.228 17.764 19.000 -0.014 0.000 0.821 302 A HN 0.103 nan 8.150 nan 0.000 0.457 303 R N 0.176 120.655 120.500 -0.036 0.000 2.066 303 R HA -0.004 4.336 4.340 0.000 0.000 0.232 303 R C 1.826 178.109 176.300 -0.028 0.000 1.131 303 R CA 1.856 57.941 56.100 -0.025 0.000 0.955 303 R CB -0.879 29.408 30.300 -0.022 0.000 0.851 303 R HN 0.577 nan 8.270 nan 0.000 0.432 304 I N 0.883 121.420 120.570 -0.055 0.000 2.127 304 I HA -0.309 3.861 4.170 0.000 0.000 0.241 304 I C 2.131 178.240 176.117 -0.014 0.000 1.075 304 I CA 1.902 63.182 61.300 -0.034 0.000 1.334 304 I CB -0.494 37.463 38.000 -0.072 0.000 1.040 304 I HN 0.317 nan 8.210 nan 0.000 0.405 305 E N 0.877 121.050 120.200 -0.044 0.000 2.114 305 E HA -0.310 4.041 4.350 0.000 0.000 0.199 305 E C 1.950 178.531 176.600 -0.031 0.000 1.008 305 E CA 1.918 58.283 56.400 -0.058 0.000 0.810 305 E CB -0.368 29.300 29.700 -0.054 0.000 0.739 305 E HN 0.699 nan 8.360 nan 0.000 0.456 306 E N 0.911 121.106 120.200 -0.007 0.000 2.418 306 E HA -0.182 4.168 4.350 0.000 0.000 0.197 306 E C 1.783 178.406 176.600 0.038 0.000 1.026 306 E CA 0.937 57.346 56.400 0.015 0.000 0.862 306 E CB 0.079 29.787 29.700 0.014 0.000 0.799 306 E HN 0.112 nan 8.360 nan 0.000 0.518 307 E N 0.640 120.868 120.200 0.047 0.000 2.250 307 E HA -0.033 4.317 4.350 0.000 0.000 0.192 307 E C 1.852 178.547 176.600 0.159 0.000 0.986 307 E CA 0.559 57.015 56.400 0.093 0.000 0.849 307 E CB 0.236 29.992 29.700 0.093 0.000 0.797 307 E HN 0.161 nan 8.360 nan 0.000 0.482 308 V N 0.697 120.656 119.914 0.074 0.000 2.307 308 V HA -0.207 3.913 4.120 0.000 0.000 0.245 308 V C 2.314 178.460 176.094 0.086 0.000 1.045 308 V CA 1.777 64.055 62.300 -0.038 0.000 1.024 308 V CB -0.752 30.841 31.823 -0.385 0.000 0.651 308 V HN 0.436 nan 8.190 nan 0.000 0.449 309 A N -0.593 122.260 122.820 0.056 0.000 1.902 309 A HA -0.223 4.097 4.320 0.000 0.000 0.217 309 A C 2.393 180.054 177.584 0.127 0.000 1.181 309 A CA 2.530 54.631 52.037 0.106 0.000 0.623 309 A CB -0.955 18.089 19.000 0.074 0.000 0.818 309 A HN 0.487 nan 8.150 nan 0.000 0.443 310 T N 0.417 115.034 114.554 0.104 0.000 2.643 310 T HA -0.119 4.231 4.350 0.000 0.000 0.264 310 T C 1.800 176.548 174.700 0.080 0.000 1.045 310 T CA 1.695 63.846 62.100 0.084 0.000 1.155 310 T CB -0.456 68.455 68.868 0.071 0.000 0.863 310 T HN 0.427 nan 8.240 nan 0.000 0.420 311 I N 0.812 121.462 120.570 0.134 0.000 2.264 311 I HA -0.145 4.025 4.170 0.000 0.000 0.248 311 I C 2.239 178.397 176.117 0.067 0.000 1.111 311 I CA 1.104 62.466 61.300 0.103 0.000 1.382 311 I CB -0.427 37.679 38.000 0.176 0.000 1.060 311 I HN 0.200 nan 8.210 nan 0.000 0.418 312 L N 0.456 121.774 121.223 0.158 0.000 2.191 312 L HA -0.071 4.269 4.340 0.000 0.000 0.212 312 L C 1.479 178.111 176.870 -0.395 0.000 1.103 312 L CA 0.140 54.974 54.840 -0.010 0.000 0.769 312 L CB -0.374 41.771 42.059 0.144 0.000 0.908 312 L HN 0.237 nan 8.230 nan 0.000 0.438 313 A N -1.379 121.335 122.820 -0.177 0.000 2.264 313 A HA 0.537 4.857 4.320 0.000 0.000 0.304 313 A C 1.195 178.673 177.584 -0.177 0.000 1.100 313 A CA 0.288 52.208 52.037 -0.196 0.000 0.839 313 A CB 0.833 19.857 19.000 0.039 0.000 1.121 313 A HN 0.368 nan 8.150 nan 0.000 0.496 314 G N -1.158 107.515 108.800 -0.211 0.000 2.336 314 G HA2 -0.309 3.651 3.960 0.000 0.000 0.233 314 G HA3 -0.309 3.651 3.960 0.000 0.000 0.233 314 G C 0.678 175.426 174.900 -0.254 0.000 1.053 314 G CA 1.159 46.155 45.100 -0.174 0.000 0.625 314 G HN 1.288 nan 8.290 nan 0.000 0.511 315 F N 0.797 120.481 119.950 -0.443 0.000 2.373 315 F HA 0.452 4.979 4.527 0.000 0.000 0.253 315 F C 2.370 177.798 175.800 -0.620 0.000 0.954 315 F CA 2.624 60.333 58.000 -0.486 0.000 1.136 315 F CB -0.384 38.256 39.000 -0.600 0.000 1.342 315 F HN 1.029 nan 8.300 nan 0.000 0.701 316 G N 1.037 109.589 108.800 -0.414 0.000 2.699 316 G HA2 -0.513 3.447 3.960 0.000 0.000 0.351 316 G HA3 -0.513 3.447 3.960 0.000 0.000 0.351 316 G C 1.145 175.918 174.900 -0.211 0.000 1.191 316 G CA 1.550 46.040 45.100 -1.016 0.000 0.953 316 G HN 0.749 nan 8.290 nan 0.000 0.557 317 H N 0.521 119.647 119.070 0.094 0.000 2.371 317 H HA -0.229 4.327 4.556 0.000 0.000 0.274 317 H C 2.340 177.697 175.328 0.048 0.000 1.152 317 H CA 1.669 57.781 56.048 0.106 0.000 1.118 317 H CB -0.968 28.813 29.762 0.033 0.000 1.372 317 H HN 0.849 nan 8.280 nan 0.000 0.466 318 G N -0.424 108.426 108.800 0.084 0.000 2.467 318 G HA2 0.058 4.018 3.960 0.000 0.000 0.243 318 G HA3 0.058 4.018 3.960 0.000 0.000 0.243 318 G C 0.784 175.817 174.900 0.221 0.000 1.521 318 G CA 0.290 45.462 45.100 0.119 0.000 1.055 318 G HN 0.329 nan 8.290 nan 0.000 0.553 319 E N -1.189 119.192 120.200 0.301 0.000 2.489 319 E HA 0.095 4.445 4.350 0.000 0.000 0.208 319 E C 1.562 178.379 176.600 0.363 0.000 0.814 319 E CA 0.330 56.943 56.400 0.356 0.000 1.348 319 E CB 0.435 30.285 29.700 0.251 0.000 1.334 319 E HN 0.405 nan 8.360 nan 0.000 0.672 320 G N 1.831 110.860 108.800 0.383 0.000 3.209 320 G HA2 0.118 4.078 3.960 0.000 0.000 0.274 320 G HA3 0.118 4.078 3.960 0.000 0.000 0.274 320 G C -0.390 174.713 174.900 0.338 0.000 0.850 320 G CA 0.162 45.456 45.100 0.324 0.000 1.907 320 G HN 0.047 nan 8.290 nan 0.000 0.591 321 H N 0.404 119.417 119.070 -0.094 0.000 2.954 321 H HA 0.472 5.028 4.556 0.000 0.000 0.361 321 H C -1.759 173.448 175.328 -0.203 0.000 1.122 321 H CA -0.687 55.073 56.048 -0.480 0.000 1.217 321 H CB 2.723 31.584 29.762 -1.502 0.000 1.776 321 H HN 0.048 nan 8.280 nan 0.000 0.533 322 V N 6.315 125.952 119.914 -0.461 0.000 2.407 322 V HA 0.166 4.287 4.120 0.000 0.000 0.291 322 V C -0.185 175.550 176.094 -0.598 0.000 1.018 322 V CA -0.622 61.485 62.300 -0.322 0.000 0.842 322 V CB 1.187 33.051 31.823 0.068 0.000 0.996 322 V HN 0.567 nan 8.190 nan 0.000 0.426 323 F N 5.067 124.603 119.950 -0.690 0.000 2.450 323 F HA 0.504 5.032 4.527 0.000 0.000 0.339 323 F C 0.607 176.254 175.800 -0.254 0.000 1.146 323 F CA 0.942 58.671 58.000 -0.452 0.000 1.267 323 F CB 0.646 39.460 39.000 -0.310 0.000 1.178 323 F HN 0.603 nan 8.300 nan 0.000 0.585 324 N N 2.470 121.164 118.700 -0.010 0.000 3.501 324 N HA 0.302 5.042 4.740 0.000 0.000 0.235 324 N C -1.733 173.725 175.510 -0.086 0.000 1.442 324 N CA -0.583 52.390 53.050 -0.128 0.000 0.872 324 N CB 0.869 39.026 38.487 -0.550 0.000 1.414 324 N HN 0.526 nan 8.380 nan 0.000 0.485 325 L N -0.068 121.037 121.223 -0.197 0.000 2.431 325 L HA 0.546 4.886 4.340 0.000 0.000 0.260 325 L C 1.813 178.643 176.870 -0.067 0.000 1.098 325 L CA -0.456 54.305 54.840 -0.132 0.000 0.800 325 L CB 0.807 42.732 42.059 -0.225 0.000 1.210 325 L HN 0.802 nan 8.230 nan 0.000 0.465 326 G N -1.888 107.027 108.800 0.192 0.000 2.880 326 G HA2 0.021 3.981 3.960 0.000 0.000 0.209 326 G HA3 0.021 3.981 3.960 0.000 0.000 0.209 326 G C 0.270 175.497 174.900 0.545 0.000 1.157 326 G CA 0.334 45.667 45.100 0.390 0.000 0.779 326 G HN 0.628 nan 8.290 nan 0.000 0.539 327 H N -1.219 118.026 119.070 0.292 0.000 3.037 327 H HA 0.377 4.934 4.556 0.000 0.000 0.336 327 H C 0.240 175.604 175.328 0.060 0.000 1.323 327 H CA -0.145 56.046 56.048 0.239 0.000 1.159 327 H CB 1.233 31.206 29.762 0.352 0.000 1.882 327 H HN 0.123 nan 8.280 nan 0.000 0.535 328 G N 1.747 110.348 108.800 -0.332 0.000 2.720 328 G HA2 0.233 4.193 3.960 0.000 0.000 0.237 328 G HA3 0.233 4.193 3.960 0.000 0.000 0.237 328 G C 0.395 175.266 174.900 -0.047 0.000 1.239 328 G CA -0.386 44.609 45.100 -0.175 0.000 0.847 328 G HN 0.499 nan 8.290 nan 0.000 0.593 329 I N 0.445 120.903 120.570 -0.186 0.000 2.634 329 I HA 0.071 4.242 4.170 0.000 0.000 0.284 329 I C 0.714 176.768 176.117 -0.105 0.000 1.124 329 I CA -0.330 60.806 61.300 -0.273 0.000 1.417 329 I CB 0.774 38.388 38.000 -0.644 0.000 1.396 329 I HN 0.432 nan 8.210 nan 0.000 0.571 330 H N 6.600 125.584 119.070 -0.142 0.000 2.527 330 H HA 0.076 4.632 4.556 0.000 0.000 0.321 330 H C 0.749 176.101 175.328 0.039 0.000 1.087 330 H CA -0.459 55.587 56.048 -0.004 0.000 1.337 330 H CB 1.487 31.280 29.762 0.053 0.000 1.440 330 H HN 0.769 nan 8.280 nan 0.000 0.490 331 Q N 3.305 123.062 119.800 -0.072 0.000 2.207 331 Q HA -0.273 4.067 4.340 0.000 0.000 0.215 331 Q C 0.156 176.301 176.000 0.242 0.000 1.006 331 Q CA 2.428 58.285 55.803 0.090 0.000 0.903 331 Q CB -0.161 28.575 28.738 -0.002 0.000 0.947 331 Q HN 0.567 nan 8.270 nan 0.000 0.414 332 D N 0.689 121.329 120.400 0.400 0.000 2.350 332 D HA 0.058 4.698 4.640 0.000 0.000 0.216 332 D C 0.090 176.615 176.300 0.375 0.000 0.968 332 D CA 0.294 54.510 54.000 0.360 0.000 0.894 332 D CB 0.085 41.094 40.800 0.348 0.000 0.909 332 D HN 0.089 nan 8.370 nan 0.000 0.520 333 V N 2.124 122.218 119.914 0.300 0.000 2.585 333 V HA 0.088 4.208 4.120 0.000 0.000 0.296 333 V C -1.973 174.221 176.094 0.167 0.000 1.035 333 V CA -1.195 61.188 62.300 0.138 0.000 1.084 333 V CB 0.740 32.473 31.823 -0.150 0.000 0.953 333 V HN -0.031 nan 8.190 nan 0.000 0.483 334 P HA 0.216 nan 4.420 nan 0.000 0.276 334 P C -2.069 175.325 177.300 0.157 0.000 1.230 334 P CA -1.304 61.823 63.100 0.044 0.000 0.776 334 P CB 0.459 32.028 31.700 -0.219 0.000 0.888 335 P HA -0.231 nan 4.420 nan 0.000 0.214 335 P C 1.320 178.827 177.300 0.345 0.000 1.163 335 P CA 1.566 64.854 63.100 0.314 0.000 0.889 335 P CB -0.203 31.618 31.700 0.202 0.000 0.790 336 E N -1.176 119.171 120.200 0.245 0.000 2.472 336 E HA -0.212 4.138 4.350 0.000 0.000 0.200 336 E C 1.545 178.315 176.600 0.283 0.000 1.046 336 E CA 1.190 57.744 56.400 0.257 0.000 0.871 336 E CB -1.224 28.583 29.700 0.178 0.000 0.806 336 E HN 0.516 nan 8.360 nan 0.000 0.533 337 H N 0.065 119.188 119.070 0.089 0.000 2.448 337 H HA 0.175 4.731 4.556 0.000 0.000 0.292 337 H C 2.045 177.361 175.328 -0.021 0.000 1.035 337 H CA 0.763 56.829 56.048 0.031 0.000 1.349 337 H CB 0.472 30.241 29.762 0.012 0.000 1.425 337 H HN 0.357 nan 8.280 nan 0.000 0.539 338 A N 0.513 123.351 122.820 0.030 0.000 1.897 338 A HA -0.054 4.266 4.320 0.000 0.000 0.215 338 A C 2.613 180.107 177.584 -0.149 0.000 1.181 338 A CA 1.226 53.143 52.037 -0.201 0.000 0.620 338 A CB -1.012 17.702 19.000 -0.476 0.000 0.821 338 A HN 0.467 nan 8.150 nan 0.000 0.443 339 G N -0.230 108.550 108.800 -0.033 0.000 2.442 339 G HA2 -0.163 3.797 3.960 0.000 0.000 0.219 339 G HA3 -0.163 3.797 3.960 0.000 0.000 0.219 339 G C 1.472 176.430 174.900 0.098 0.000 1.141 339 G CA 1.412 46.639 45.100 0.211 0.000 0.763 339 G HN 0.337 nan 8.290 nan 0.000 0.554 340 V N 0.402 120.361 119.914 0.075 0.000 2.343 340 V HA -0.128 3.992 4.120 0.000 0.000 0.247 340 V C 2.303 178.382 176.094 -0.025 0.000 1.051 340 V CA 1.814 64.125 62.300 0.018 0.000 1.036 340 V CB -0.734 31.081 31.823 -0.013 0.000 0.654 340 V HN 0.409 nan 8.190 nan 0.000 0.451 341 F N 1.040 120.884 119.950 -0.176 0.000 2.102 341 F HA -0.167 4.360 4.527 0.000 0.000 0.298 341 F C 2.224 177.855 175.800 -0.281 0.000 1.105 341 F CA 1.842 59.699 58.000 -0.238 0.000 1.239 341 F CB -0.379 38.473 39.000 -0.247 0.000 0.991 341 F HN -0.048 nan 8.300 nan 0.000 0.474 342 V N 0.230 120.067 119.914 -0.128 0.000 2.594 342 V HA -0.246 3.874 4.120 0.000 0.000 0.253 342 V C 2.184 178.014 176.094 -0.439 0.000 1.069 342 V CA 2.108 64.225 62.300 -0.304 0.000 1.082 342 V CB -0.668 31.103 31.823 -0.086 0.000 0.680 342 V HN 0.321 nan 8.190 nan 0.000 0.469 343 E N 0.134 120.175 120.200 -0.264 0.000 2.250 343 E HA 0.073 4.423 4.350 0.000 0.000 0.192 343 E C 2.135 178.609 176.600 -0.210 0.000 0.986 343 E CA 0.974 57.255 56.400 -0.199 0.000 0.849 343 E CB -0.236 29.423 29.700 -0.069 0.000 0.797 343 E HN 0.492 nan 8.360 nan 0.000 0.482 344 A N -0.035 122.613 122.820 -0.288 0.000 1.930 344 A HA -0.096 4.224 4.320 0.000 0.000 0.217 344 A C 2.315 179.697 177.584 -0.337 0.000 1.175 344 A CA 1.413 53.284 52.037 -0.276 0.000 0.627 344 A CB -0.516 18.302 19.000 -0.303 0.000 0.815 344 A HN 0.168 nan 8.150 nan 0.000 0.443 345 V N -0.485 119.095 119.914 -0.557 0.000 2.427 345 V HA -0.256 3.865 4.120 0.000 0.000 0.248 345 V C 2.237 178.270 176.094 -0.102 0.000 1.051 345 V CA 2.125 64.124 62.300 -0.503 0.000 1.048 345 V CB -1.120 30.234 31.823 -0.780 0.000 0.666 345 V HN 0.715 nan 8.190 nan 0.000 0.456 346 H N -0.455 118.509 119.070 -0.177 0.000 2.284 346 H HA -0.082 4.474 4.556 0.000 0.000 0.304 346 H C 2.657 177.960 175.328 -0.041 0.000 1.069 346 H CA 1.379 57.382 56.048 -0.076 0.000 1.327 346 H CB 0.074 29.801 29.762 -0.058 0.000 1.387 346 H HN 0.159 nan 8.280 nan 0.000 0.498 347 R N 1.211 121.762 120.500 0.086 0.000 2.080 347 R HA -0.135 4.205 4.340 0.000 0.000 0.236 347 R C 1.910 178.227 176.300 0.028 0.000 1.137 347 R CA 1.472 57.594 56.100 0.037 0.000 0.943 347 R CB -0.258 30.045 30.300 0.005 0.000 0.846 347 R HN 0.297 nan 8.270 nan 0.000 0.431 348 L N 0.546 121.777 121.223 0.013 0.000 2.591 348 L HA 0.056 4.396 4.340 0.000 0.000 0.228 348 L C 1.939 178.881 176.870 0.121 0.000 1.133 348 L CA 0.512 55.373 54.840 0.035 0.000 0.880 348 L CB 0.163 42.230 42.059 0.013 0.000 1.033 348 L HN 0.249 nan 8.230 nan 0.000 0.450 349 S N -1.255 114.538 115.700 0.156 0.000 2.511 349 S HA -0.068 4.403 4.470 0.000 0.000 0.214 349 S C 1.642 176.431 174.600 0.316 0.000 0.997 349 S CA 0.232 58.618 58.200 0.309 0.000 0.908 349 S CB 0.132 63.494 63.200 0.269 0.000 0.803 349 S HN 0.481 nan 8.310 nan 0.000 0.504 350 E N 2.666 122.979 120.200 0.187 0.000 2.333 350 E HA -0.245 4.105 4.350 0.000 0.000 0.198 350 E C 1.977 178.639 176.600 0.103 0.000 1.007 350 E CA 1.460 57.960 56.400 0.167 0.000 0.845 350 E CB -0.541 29.206 29.700 0.077 0.000 0.766 350 E HN 0.888 nan 8.360 nan 0.000 0.507 351 Q N -0.726 119.060 119.800 -0.025 0.000 2.311 351 Q HA -0.123 4.217 4.340 0.000 0.000 0.203 351 Q C 0.719 176.585 176.000 -0.223 0.000 0.954 351 Q CA 0.820 56.517 55.803 -0.176 0.000 0.885 351 Q CB -0.323 28.210 28.738 -0.342 0.000 0.963 351 Q HN 0.418 nan 8.270 nan 0.000 0.471 352 Y N 0.143 120.450 120.300 0.010 0.000 2.462 352 Y HA 0.137 4.687 4.550 0.000 0.000 0.293 352 Y C 0.614 176.347 175.900 -0.278 0.000 1.195 352 Y CA 0.222 58.267 58.100 -0.093 0.000 1.276 352 Y CB 0.345 38.731 38.460 -0.124 0.000 1.082 352 Y HN 0.282 nan 8.280 nan 0.000 0.514 353 H N -1.120 118.057 119.070 0.180 0.000 2.885 353 H HA 0.313 4.869 4.556 0.000 0.000 0.254 353 H C 0.410 175.785 175.328 0.078 0.000 1.185 353 H CA -0.092 56.036 56.048 0.133 0.000 1.029 353 H CB 0.707 30.535 29.762 0.111 0.000 1.743 353 H HN 0.247 nan 8.280 nan 0.000 0.632 354 R N 0.000 120.578 120.500 0.130 0.000 2.786 354 R HA 0.000 4.340 4.340 0.000 0.000 0.208 354 R CA 0.000 56.146 56.100 0.077 0.000 0.921 354 R CB 0.000 30.325 30.300 0.041 0.000 0.687 354 R HN 0.000 nan 8.270 nan 0.000 0.535