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 2onm_1_L DATA FIRST_RESID 7 DATA SEQUENCE AVPAPNQQPE VFCNQIFINN EWHDAVSRKT FPTVNPSTGE VICQVAEGDK DATA SEQUENCE EDVDKAVKAA RAAFQLGSPW RRMDASHRGR LLNRLADLIE RDRTYLAALE DATA SEQUENCE TLDNGKPYVI SYLVDLDMVL KCLRYYAGWA DKYHGKTIPI DGDFFSYTRH DATA SEQUENCE EPVGVCGQII PWNFPLLMQA WKLGPALATG NVVVMKVAEQ TPLTALYVAN DATA SEQUENCE LIKEAGFPPG VVNIVPGFGP TAGAAIASHE DVDKVAFTGS TEIGRVIQVA DATA SEQUENCE AGSSNLKRVT LELGGKSPNI IMSDADMDWA VEQAHFALFF NQGQCCCAGS DATA SEQUENCE RTFVQEDIYD EFVERSVARA KSRVVGNPFD SKTEQGPQVD ETQFKKILGY DATA SEQUENCE INTGKQEGAK LLCGGGIAAD RGYFIQPTVF GDVQDGMTIA KEEIFGPVMQ DATA SEQUENCE ILKFKTIEEV VGRANNSTYG LAAAVFTKDL DKANYLSQAL QAGTVWVNCY DATA SEQUENCE DVFGAQSPFG GYKMSGSGRE LGEYGLQAYT KVKTVTVKVP QKNS 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 7 A HA 0.000 nan 4.320 nan 0.000 0.244 7 A C 0.000 177.588 177.584 0.007 0.000 1.274 7 A CA 0.000 52.059 52.037 0.036 0.000 0.836 7 A CB 0.000 19.036 19.000 0.060 0.000 0.831 8 V N 1.423 121.307 119.914 -0.050 0.000 2.409 8 V HA 0.483 4.603 4.120 -0.000 0.000 0.291 8 V C -2.093 173.902 176.094 -0.165 0.000 1.020 8 V CA -1.502 60.664 62.300 -0.223 0.000 0.848 8 V CB 1.298 33.030 31.823 -0.153 0.000 0.990 8 V HN 0.543 nan 8.190 nan 0.000 0.430 9 P HA 0.282 nan 4.420 nan 0.000 0.269 9 P C -0.222 177.070 177.300 -0.013 0.000 1.215 9 P CA -0.131 62.918 63.100 -0.086 0.000 0.780 9 P CB 0.474 32.140 31.700 -0.057 0.000 0.898 10 A N 3.834 126.638 122.820 -0.027 0.000 2.492 10 A HA 0.332 4.652 4.320 -0.000 0.000 0.254 10 A C -1.687 175.809 177.584 -0.147 0.000 1.091 10 A CA -0.734 51.257 52.037 -0.076 0.000 0.768 10 A CB -0.987 17.975 19.000 -0.063 0.000 1.028 10 A HN 0.427 nan 8.150 nan 0.000 0.498 11 P HA 0.166 nan 4.420 nan 0.000 0.279 11 P C -0.861 176.232 177.300 -0.345 0.000 1.252 11 P CA -0.677 62.105 63.100 -0.530 0.000 0.811 11 P CB 0.814 31.771 31.700 -1.238 0.000 1.035 12 N N 1.408 119.958 118.700 -0.250 0.000 2.558 12 N HA 0.035 4.775 4.740 -0.000 0.000 0.233 12 N C 0.844 176.081 175.510 -0.456 0.000 1.038 12 N CA 0.005 52.913 53.050 -0.238 0.000 0.934 12 N CB 0.214 38.656 38.487 -0.075 0.000 1.175 12 N HN 0.224 nan 8.380 nan 0.000 0.512 13 Q N 1.315 120.668 119.800 -0.746 0.000 2.561 13 Q HA -0.140 4.200 4.340 -0.000 0.000 0.217 13 Q C -0.179 175.358 176.000 -0.771 0.000 0.980 13 Q CA 0.842 55.793 55.803 -1.420 0.000 0.927 13 Q CB 0.138 28.212 28.738 -1.106 0.000 0.980 13 Q HN 0.547 nan 8.270 nan 0.000 0.525 14 Q N 0.392 119.957 119.800 -0.392 0.000 3.180 14 Q HA 0.173 4.513 4.340 -0.000 0.000 0.317 14 Q C -2.543 173.381 176.000 -0.127 0.000 0.824 14 Q CA -1.706 53.975 55.803 -0.203 0.000 0.926 14 Q CB 1.062 29.697 28.738 -0.172 0.000 1.487 14 Q HN 0.006 nan 8.270 nan 0.000 0.389 15 P HA -0.030 nan 4.420 nan 0.000 0.268 15 P C -0.368 176.904 177.300 -0.046 0.000 1.205 15 P CA 0.037 63.127 63.100 -0.016 0.000 0.771 15 P CB 1.016 32.673 31.700 -0.071 0.000 0.858 16 E N 1.321 121.495 120.200 -0.044 0.000 2.366 16 E HA 0.247 4.596 4.350 -0.000 0.000 0.266 16 E C -0.779 175.579 176.600 -0.404 0.000 1.051 16 E CA -0.735 55.485 56.400 -0.300 0.000 0.884 16 E CB 0.813 30.208 29.700 -0.509 0.000 1.006 16 E HN 0.156 nan 8.360 nan 0.000 0.417 17 V N 5.698 125.352 119.914 -0.434 0.000 2.370 17 V HA 0.138 4.258 4.120 -0.000 0.000 0.279 17 V C -0.047 175.794 176.094 -0.421 0.000 1.029 17 V CA -0.111 62.011 62.300 -0.298 0.000 0.870 17 V CB 0.824 32.542 31.823 -0.176 0.000 0.984 17 V HN 0.707 nan 8.190 nan 0.000 0.451 18 F N 1.712 121.667 119.950 0.008 0.000 2.622 18 F HA 0.233 4.760 4.527 -0.000 0.000 0.288 18 F C 1.031 176.712 175.800 -0.198 0.000 1.120 18 F CA -0.004 57.965 58.000 -0.051 0.000 1.423 18 F CB 0.308 39.325 39.000 0.027 0.000 1.127 18 F HN 0.367 nan 8.300 nan 0.000 0.588 19 C N 2.010 121.285 119.300 -0.042 0.000 2.340 19 C HA 0.440 4.900 4.460 -0.000 0.000 0.323 19 C C 0.312 175.120 174.990 -0.303 0.000 1.260 19 C CA -0.793 57.956 59.018 -0.449 0.000 1.464 19 C CB 0.341 27.747 27.740 -0.556 0.000 2.156 19 C HN 0.541 nan 8.230 nan 0.000 0.476 20 N N 1.084 119.581 118.700 -0.337 0.000 2.286 20 N HA 0.076 4.816 4.740 -0.000 0.000 0.245 20 N C -0.446 175.011 175.510 -0.089 0.000 1.363 20 N CA -0.292 52.653 53.050 -0.175 0.000 0.822 20 N CB -0.019 38.365 38.487 -0.171 0.000 1.345 20 N HN 0.775 nan 8.380 nan 0.000 0.494 21 Q N -0.152 119.643 119.800 -0.008 0.000 2.962 21 Q HA 0.563 4.903 4.340 -0.000 0.000 0.282 21 Q C -0.499 175.796 176.000 0.492 0.000 1.058 21 Q CA -1.041 54.899 55.803 0.229 0.000 0.854 21 Q CB 1.887 30.788 28.738 0.272 0.000 1.441 21 Q HN 0.100 nan 8.270 nan 0.000 0.497 22 I N 1.318 122.155 120.570 0.445 0.000 2.441 22 I HA 0.142 4.312 4.170 -0.000 0.000 0.287 22 I C -0.757 175.599 176.117 0.399 0.000 1.049 22 I CA -0.074 61.457 61.300 0.385 0.000 1.381 22 I CB 0.390 38.544 38.000 0.257 0.000 1.409 22 I HN 0.380 nan 8.210 nan 0.000 0.523 23 F N 8.355 128.329 119.950 0.039 0.000 2.332 23 F HA 0.600 5.127 4.527 -0.000 0.000 0.368 23 F C -0.534 175.157 175.800 -0.181 0.000 1.110 23 F CA -0.379 57.407 58.000 -0.356 0.000 1.087 23 F CB 0.382 39.010 39.000 -0.620 0.000 1.235 23 F HN 0.174 nan 8.300 nan 0.000 0.470 24 I N 5.473 125.752 120.570 -0.486 0.000 2.569 24 I HA 0.215 4.385 4.170 -0.000 0.000 0.290 24 I C -0.345 175.506 176.117 -0.443 0.000 1.088 24 I CA -1.087 60.015 61.300 -0.329 0.000 1.047 24 I CB 1.874 39.801 38.000 -0.121 0.000 1.237 24 I HN 0.482 nan 8.210 nan 0.000 0.421 25 N N 4.731 123.194 118.700 -0.396 0.000 2.727 25 N HA -0.246 4.494 4.740 -0.000 0.000 0.249 25 N C 0.022 175.258 175.510 -0.458 0.000 1.048 25 N CA 1.284 54.146 53.050 -0.313 0.000 0.714 25 N CB -1.026 37.369 38.487 -0.153 0.000 0.959 25 N HN 0.939 nan 8.380 nan 0.000 0.544 26 N N -1.492 116.689 118.700 -0.864 0.000 2.708 26 N HA -0.237 4.503 4.740 -0.000 0.000 0.251 26 N C -0.940 174.105 175.510 -0.774 0.000 1.123 26 N CA 1.171 53.724 53.050 -0.830 0.000 0.739 26 N CB -0.394 37.961 38.487 -0.220 0.000 1.113 26 N HN 0.605 nan 8.380 nan 0.000 0.561 27 E N -0.775 118.845 120.200 -0.967 0.000 2.343 27 E HA 0.343 4.693 4.350 -0.000 0.000 0.270 27 E C -1.019 175.056 176.600 -0.874 0.000 0.895 27 E CA -0.677 55.298 56.400 -0.708 0.000 0.767 27 E CB 1.135 30.544 29.700 -0.485 0.000 1.248 27 E HN 0.128 nan 8.360 nan 0.000 0.440 28 W N 2.287 123.377 121.300 -0.349 0.000 2.338 28 W HA 0.287 4.947 4.660 -0.000 0.000 0.307 28 W C 0.303 176.596 176.519 -0.377 0.000 1.167 28 W CA -0.322 56.901 57.345 -0.203 0.000 1.208 28 W CB 0.791 30.238 29.460 -0.021 0.000 1.228 28 W HN 0.308 nan 8.180 nan 0.000 0.499 29 H N 1.569 120.786 119.070 0.246 0.000 2.747 29 H HA 0.223 4.779 4.556 -0.000 0.000 0.371 29 H C -0.592 174.828 175.328 0.153 0.000 1.161 29 H CA -0.910 55.224 56.048 0.143 0.000 1.167 29 H CB 1.782 31.582 29.762 0.063 0.000 1.732 29 H HN 0.368 nan 8.280 nan 0.000 0.544 30 D N 0.311 120.853 120.400 0.236 0.000 2.340 30 D HA 0.414 5.054 4.640 -0.000 0.000 0.251 30 D C 0.347 176.734 176.300 0.145 0.000 1.080 30 D CA -0.896 53.201 54.000 0.162 0.000 0.971 30 D CB 0.671 41.535 40.800 0.106 0.000 1.137 30 D HN 0.610 nan 8.370 nan 0.000 0.475 31 A N 0.426 123.317 122.820 0.119 0.000 2.520 31 A HA 0.153 4.473 4.320 -0.000 0.000 0.235 31 A C 1.522 179.153 177.584 0.078 0.000 1.065 31 A CA -0.483 51.614 52.037 0.101 0.000 0.764 31 A CB 0.071 19.134 19.000 0.105 0.000 1.002 31 A HN 0.478 nan 8.150 nan 0.000 0.502 32 V N 2.218 122.168 119.914 0.060 0.000 2.392 32 V HA -0.227 3.893 4.120 -0.000 0.000 0.249 32 V C 2.461 178.585 176.094 0.050 0.000 1.059 32 V CA 2.696 65.022 62.300 0.044 0.000 1.051 32 V CB -0.770 31.072 31.823 0.031 0.000 0.658 32 V HN 0.908 nan 8.190 nan 0.000 0.455 33 S N -1.500 114.235 115.700 0.059 0.000 2.481 33 S HA 0.007 4.477 4.470 -0.000 0.000 0.231 33 S C 1.333 175.971 174.600 0.062 0.000 0.996 33 S CA 0.505 58.742 58.200 0.060 0.000 0.942 33 S CB -0.139 63.104 63.200 0.072 0.000 0.768 33 S HN 0.547 nan 8.310 nan 0.000 0.520 34 R N -0.279 120.261 120.500 0.067 0.000 3.840 34 R HA -0.134 4.206 4.340 -0.000 0.000 0.464 34 R C -0.571 175.770 176.300 0.067 0.000 0.986 34 R CA 0.879 57.017 56.100 0.063 0.000 1.305 34 R CB -1.461 28.870 30.300 0.052 0.000 1.950 34 R HN 0.396 nan 8.270 nan 0.000 0.526 35 K N 1.246 121.696 120.400 0.084 0.000 2.219 35 K HA 0.205 4.525 4.320 -0.000 0.000 0.258 35 K C 0.549 177.214 176.600 0.108 0.000 1.008 35 K CA 0.923 57.272 56.287 0.103 0.000 0.928 35 K CB 0.724 33.304 32.500 0.134 0.000 0.983 35 K HN 0.183 nan 8.250 nan 0.000 0.484 36 T N -0.982 113.637 114.554 0.110 0.000 2.894 36 T HA 0.596 4.946 4.350 -0.000 0.000 0.309 36 T C -0.836 173.941 174.700 0.128 0.000 1.208 36 T CA -1.073 61.061 62.100 0.056 0.000 1.016 36 T CB 0.651 69.497 68.868 -0.038 0.000 1.192 36 T HN 0.478 nan 8.240 nan 0.000 0.491 37 F N -0.109 119.840 119.950 -0.002 0.000 2.546 37 F HA 0.900 5.427 4.527 -0.000 0.000 0.320 37 F C -3.023 172.780 175.800 0.006 0.000 1.076 37 F CA -3.021 54.995 58.000 0.028 0.000 0.928 37 F CB 1.471 40.449 39.000 -0.036 0.000 1.189 37 F HN 0.389 nan 8.300 nan 0.000 0.465 38 P HA 0.194 nan 4.420 nan 0.000 0.281 38 P C -1.000 176.356 177.300 0.093 0.000 1.249 38 P CA -0.226 62.883 63.100 0.014 0.000 0.810 38 P CB 1.945 33.682 31.700 0.062 0.000 1.008 39 T N 1.311 115.859 114.554 -0.010 0.000 2.792 39 T HA 0.401 4.751 4.350 -0.000 0.000 0.280 39 T C -0.604 174.108 174.700 0.020 0.000 0.990 39 T CA -0.521 61.605 62.100 0.043 0.000 0.960 39 T CB 0.324 69.187 68.868 -0.009 0.000 0.939 39 T HN 0.064 nan 8.240 nan 0.000 0.439 40 V N 5.729 125.665 119.914 0.038 0.000 2.617 40 V HA 0.419 4.539 4.120 -0.000 0.000 0.298 40 V C 0.651 176.749 176.094 0.006 0.000 1.048 40 V CA -1.018 61.299 62.300 0.027 0.000 0.964 40 V CB 1.582 33.446 31.823 0.069 0.000 1.004 40 V HN 0.938 nan 8.190 nan 0.000 0.466 41 N N 5.485 124.178 118.700 -0.011 0.000 2.415 41 N HA 0.218 4.958 4.740 -0.000 0.000 0.246 41 N C -1.496 173.979 175.510 -0.058 0.000 1.078 41 N CA -1.540 51.494 53.050 -0.027 0.000 0.942 41 N CB 1.309 39.787 38.487 -0.016 0.000 1.140 41 N HN 0.427 nan 8.380 nan 0.000 0.501 42 P HA -0.107 nan 4.420 nan 0.000 0.226 42 P C 0.463 177.588 177.300 -0.292 0.000 1.146 42 P CA 0.990 64.041 63.100 -0.081 0.000 0.773 42 P CB 0.344 32.018 31.700 -0.043 0.000 0.772 43 S N -0.640 114.955 115.700 -0.176 0.000 2.446 43 S HA -0.027 4.443 4.470 -0.000 0.000 0.225 43 S C 1.763 176.383 174.600 0.034 0.000 1.016 43 S CA 1.669 59.842 58.200 -0.045 0.000 0.943 43 S CB -0.565 62.681 63.200 0.076 0.000 0.786 43 S HN 0.435 nan 8.310 nan 0.000 0.508 44 T N -3.248 111.258 114.554 -0.081 0.000 2.986 44 T HA 0.486 4.836 4.350 -0.000 0.000 0.264 44 T C 1.448 176.040 174.700 -0.179 0.000 0.964 44 T CA 0.657 62.703 62.100 -0.090 0.000 0.895 44 T CB 0.458 69.300 68.868 -0.043 0.000 1.163 44 T HN 0.491 nan 8.240 nan 0.000 0.517 45 G N 2.487 111.133 108.800 -0.256 0.000 2.184 45 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.264 45 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.264 45 G C -0.155 174.691 174.900 -0.090 0.000 0.975 45 G CA 0.363 45.310 45.100 -0.255 0.000 0.642 45 G HN 0.984 nan 8.290 nan 0.000 0.536 46 E N 0.227 120.386 120.200 -0.069 0.000 2.250 46 E HA 0.613 4.963 4.350 -0.000 0.000 0.269 46 E C 0.057 176.644 176.600 -0.022 0.000 1.018 46 E CA -1.016 55.362 56.400 -0.037 0.000 0.873 46 E CB 2.154 31.831 29.700 -0.038 0.000 1.134 46 E HN 0.142 nan 8.360 nan 0.000 0.403 47 V N 3.373 123.278 119.914 -0.015 0.000 2.529 47 V HA -0.057 4.063 4.120 -0.000 0.000 0.292 47 V C 1.416 177.491 176.094 -0.032 0.000 1.028 47 V CA 0.357 62.647 62.300 -0.015 0.000 1.074 47 V CB 0.056 31.871 31.823 -0.013 0.000 0.958 47 V HN 0.703 nan 8.190 nan 0.000 0.481 48 I N 3.928 124.475 120.570 -0.038 0.000 2.277 48 I HA 0.038 4.208 4.170 -0.000 0.000 0.243 48 I C 1.010 177.084 176.117 -0.072 0.000 1.094 48 I CA 1.307 62.576 61.300 -0.052 0.000 1.393 48 I CB 0.138 38.108 38.000 -0.050 0.000 1.078 48 I HN 0.892 nan 8.210 nan 0.000 0.417 49 C N -2.193 117.056 119.300 -0.085 0.000 3.167 49 C HA 0.382 4.842 4.460 -0.000 0.000 0.348 49 C C -1.219 173.686 174.990 -0.142 0.000 1.394 49 C CA -1.189 57.765 59.018 -0.106 0.000 1.204 49 C CB 1.272 28.939 27.740 -0.122 0.000 1.467 49 C HN 0.148 nan 8.230 nan 0.000 0.446 50 Q N 0.510 120.217 119.800 -0.154 0.000 2.227 50 Q HA 0.762 5.102 4.340 -0.000 0.000 0.245 50 Q C -0.672 175.147 176.000 -0.303 0.000 0.926 50 Q CA -0.154 55.524 55.803 -0.209 0.000 0.895 50 Q CB 1.862 30.519 28.738 -0.134 0.000 1.230 50 Q HN 0.766 nan 8.270 nan 0.000 0.450 51 V N 0.760 120.361 119.914 -0.522 0.000 2.760 51 V HA 0.477 4.597 4.120 -0.000 0.000 0.309 51 V C -0.498 175.305 176.094 -0.486 0.000 1.077 51 V CA -1.260 60.693 62.300 -0.577 0.000 0.910 51 V CB 1.910 33.210 31.823 -0.872 0.000 1.008 51 V HN 0.896 nan 8.190 nan 0.000 0.424 52 A N 2.794 125.518 122.820 -0.161 0.000 2.566 52 A HA 0.184 4.504 4.320 -0.000 0.000 0.245 52 A C 0.413 178.087 177.584 0.151 0.000 1.056 52 A CA 0.350 52.396 52.037 0.016 0.000 0.757 52 A CB -0.036 19.020 19.000 0.093 0.000 0.979 52 A HN 0.873 nan 8.150 nan 0.000 0.508 53 E N 3.078 123.409 120.200 0.218 0.000 1.986 53 E HA 0.342 4.692 4.350 -0.000 0.000 0.264 53 E C 0.619 177.313 176.600 0.156 0.000 1.023 53 E CA -0.259 56.311 56.400 0.282 0.000 0.834 53 E CB 0.274 30.151 29.700 0.295 0.000 1.111 53 E HN 0.806 nan 8.360 nan 0.000 0.417 54 G N 3.370 112.249 108.800 0.132 0.000 2.491 54 G HA2 0.071 4.031 3.960 -0.000 0.000 0.242 54 G HA3 0.071 4.031 3.960 -0.000 0.000 0.242 54 G C -0.257 174.694 174.900 0.085 0.000 1.266 54 G CA -0.180 44.982 45.100 0.103 0.000 0.844 54 G HN 0.571 nan 8.290 nan 0.000 0.571 55 D N -0.750 119.700 120.400 0.083 0.000 2.867 55 D HA 0.192 4.832 4.640 -0.000 0.000 0.308 55 D C 1.362 177.704 176.300 0.070 0.000 1.202 55 D CA -0.817 53.232 54.000 0.081 0.000 1.035 55 D CB 1.400 42.251 40.800 0.085 0.000 1.427 55 D HN 0.271 nan 8.370 nan 0.000 0.570 56 K N 0.211 120.649 120.400 0.064 0.000 2.059 56 K HA -0.209 4.111 4.320 -0.000 0.000 0.212 56 K C 1.401 178.036 176.600 0.059 0.000 1.050 56 K CA 1.898 58.220 56.287 0.059 0.000 0.927 56 K CB 0.036 32.560 32.500 0.041 0.000 0.714 56 K HN 0.344 nan 8.250 nan 0.000 0.447 57 E N 0.008 120.236 120.200 0.047 0.000 2.204 57 E HA -0.163 4.187 4.350 -0.000 0.000 0.194 57 E C 1.429 178.048 176.600 0.032 0.000 0.989 57 E CA 1.531 57.953 56.400 0.037 0.000 0.824 57 E CB -0.003 29.714 29.700 0.028 0.000 0.756 57 E HN 0.515 nan 8.360 nan 0.000 0.477 58 D N 0.118 120.542 120.400 0.039 0.000 2.162 58 D HA -0.096 4.544 4.640 -0.000 0.000 0.203 58 D C 1.906 178.224 176.300 0.029 0.000 0.967 58 D CA 0.512 54.529 54.000 0.028 0.000 0.840 58 D CB 0.129 40.960 40.800 0.052 0.000 0.972 58 D HN -0.062 nan 8.370 nan 0.000 0.482 59 V N 1.150 121.096 119.914 0.054 0.000 2.407 59 V HA -0.218 3.902 4.120 -0.000 0.000 0.248 59 V C 1.513 177.643 176.094 0.060 0.000 1.055 59 V CA 1.728 64.062 62.300 0.058 0.000 1.049 59 V CB -0.370 31.509 31.823 0.093 0.000 0.662 59 V HN 0.112 nan 8.190 nan 0.000 0.455 60 D N -0.086 120.377 120.400 0.105 0.000 2.144 60 D HA -0.139 4.501 4.640 -0.000 0.000 0.199 60 D C 2.287 178.619 176.300 0.054 0.000 0.984 60 D CA 1.136 55.227 54.000 0.152 0.000 0.834 60 D CB -0.147 40.730 40.800 0.129 0.000 0.955 60 D HN 0.401 nan 8.370 nan 0.000 0.465 61 K N 0.229 120.632 120.400 0.005 0.000 2.097 61 K HA 0.016 4.336 4.320 -0.000 0.000 0.205 61 K C 2.096 178.658 176.600 -0.063 0.000 1.050 61 K CA 1.013 57.273 56.287 -0.045 0.000 0.938 61 K CB -0.043 32.401 32.500 -0.093 0.000 0.718 61 K HN 0.038 nan 8.250 nan 0.000 0.442 62 A N 1.095 123.882 122.820 -0.056 0.000 1.877 62 A HA -0.125 4.195 4.320 -0.000 0.000 0.216 62 A C 2.381 179.912 177.584 -0.088 0.000 1.186 62 A CA 1.426 53.423 52.037 -0.066 0.000 0.620 62 A CB -0.731 18.246 19.000 -0.039 0.000 0.822 62 A HN 0.059 nan 8.150 nan 0.000 0.443 63 V N -0.053 119.787 119.914 -0.124 0.000 2.332 63 V HA -0.277 3.843 4.120 -0.000 0.000 0.248 63 V C 2.519 178.542 176.094 -0.118 0.000 1.055 63 V CA 2.494 64.670 62.300 -0.206 0.000 1.038 63 V CB -0.692 30.817 31.823 -0.523 0.000 0.651 63 V HN 0.507 nan 8.190 nan 0.000 0.450 64 K N 0.336 120.698 120.400 -0.063 0.000 2.057 64 K HA -0.098 4.222 4.320 -0.000 0.000 0.207 64 K C 2.214 178.801 176.600 -0.022 0.000 1.049 64 K CA 1.545 57.819 56.287 -0.021 0.000 0.931 64 K CB -0.639 31.859 32.500 -0.004 0.000 0.714 64 K HN 0.485 nan 8.250 nan 0.000 0.440 65 A N 0.619 123.412 122.820 -0.045 0.000 1.898 65 A HA -0.070 4.250 4.320 -0.000 0.000 0.216 65 A C 2.319 179.885 177.584 -0.031 0.000 1.181 65 A CA 1.830 53.839 52.037 -0.046 0.000 0.620 65 A CB -0.895 18.057 19.000 -0.080 0.000 0.819 65 A HN 0.319 nan 8.150 nan 0.000 0.442 66 A N -0.023 122.770 122.820 -0.045 0.000 1.877 66 A HA -0.169 4.151 4.320 -0.000 0.000 0.216 66 A C 2.183 179.791 177.584 0.039 0.000 1.186 66 A CA 2.202 54.220 52.037 -0.031 0.000 0.620 66 A CB -0.477 18.479 19.000 -0.073 0.000 0.822 66 A HN 0.463 nan 8.150 nan 0.000 0.443 67 R N 0.290 120.805 120.500 0.026 0.000 2.105 67 R HA -0.054 4.286 4.340 -0.000 0.000 0.239 67 R C 2.058 178.443 176.300 0.142 0.000 1.135 67 R CA 2.008 58.161 56.100 0.089 0.000 0.967 67 R CB -0.871 29.457 30.300 0.047 0.000 0.861 67 R HN 0.403 nan 8.270 nan 0.000 0.442 68 A N 0.148 123.020 122.820 0.087 0.000 1.873 68 A HA 0.039 4.359 4.320 -0.000 0.000 0.215 68 A C 2.336 179.984 177.584 0.106 0.000 1.186 68 A CA 1.570 53.655 52.037 0.080 0.000 0.616 68 A CB -1.020 18.004 19.000 0.040 0.000 0.823 68 A HN 0.467 nan 8.150 nan 0.000 0.442 69 A N -2.153 120.733 122.820 0.110 0.000 2.121 69 A HA 0.050 4.370 4.320 -0.000 0.000 0.218 69 A C 1.741 179.479 177.584 0.256 0.000 1.154 69 A CA 1.271 53.390 52.037 0.136 0.000 0.679 69 A CB -0.557 18.479 19.000 0.060 0.000 0.795 69 A HN 0.602 nan 8.150 nan 0.000 0.458 70 F N 0.076 120.094 119.950 0.114 0.000 2.727 70 F HA 0.204 4.731 4.527 -0.000 0.000 0.302 70 F C 0.765 176.638 175.800 0.122 0.000 1.097 70 F CA -0.193 57.904 58.000 0.162 0.000 1.330 70 F CB 0.188 39.268 39.000 0.132 0.000 1.084 70 F HN 0.082 nan 8.300 nan 0.000 0.578 71 Q N 1.651 121.514 119.800 0.104 0.000 2.361 71 Q HA 0.037 4.377 4.340 -0.000 0.000 0.276 71 Q C -0.248 175.713 176.000 -0.065 0.000 1.022 71 Q CA -0.089 55.730 55.803 0.026 0.000 0.898 71 Q CB 0.879 29.650 28.738 0.055 0.000 1.246 71 Q HN 0.216 nan 8.270 nan 0.000 0.410 72 L N 1.762 122.938 121.223 -0.080 0.000 2.640 72 L HA -0.008 4.332 4.340 -0.000 0.000 0.280 72 L C 1.348 178.190 176.870 -0.047 0.000 1.229 72 L CA 2.233 57.021 54.840 -0.087 0.000 0.919 72 L CB -0.020 42.010 42.059 -0.049 0.000 1.168 72 L HN 0.969 nan 8.230 nan 0.000 0.496 73 G N 1.569 110.338 108.800 -0.051 0.000 2.194 73 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.236 73 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.236 73 G C 0.365 175.262 174.900 -0.006 0.000 0.987 73 G CA 0.251 45.337 45.100 -0.024 0.000 0.635 73 G HN 1.008 nan 8.290 nan 0.000 0.520 74 S N 0.620 116.321 115.700 0.003 0.000 2.589 74 S HA 0.532 5.002 4.470 -0.000 0.000 0.265 74 S C -0.686 173.956 174.600 0.069 0.000 1.342 74 S CA -0.209 58.020 58.200 0.047 0.000 1.005 74 S CB 1.745 64.994 63.200 0.081 0.000 0.909 74 S HN 0.021 nan 8.310 nan 0.000 0.555 75 P HA -0.098 nan 4.420 nan 0.000 0.216 75 P C 1.250 178.667 177.300 0.196 0.000 1.150 75 P CA 1.135 64.308 63.100 0.122 0.000 0.837 75 P CB -0.083 31.696 31.700 0.132 0.000 0.786 76 W N 0.106 121.431 121.300 0.042 0.000 2.388 76 W HA -0.119 4.541 4.660 -0.000 0.000 0.294 76 W C 1.612 178.151 176.519 0.032 0.000 1.212 76 W CA 0.710 58.098 57.345 0.071 0.000 1.271 76 W CB -0.084 29.445 29.460 0.115 0.000 1.126 76 W HN -0.153 nan 8.180 nan 0.000 0.535 77 R N 0.336 120.838 120.500 0.004 0.000 2.119 77 R HA -0.018 4.322 4.340 -0.000 0.000 0.222 77 R C 2.100 178.309 176.300 -0.151 0.000 1.088 77 R CA 0.890 56.887 56.100 -0.172 0.000 0.984 77 R CB -0.584 29.598 30.300 -0.197 0.000 0.884 77 R HN 0.299 nan 8.270 nan 0.000 0.447 78 R N -0.309 120.141 120.500 -0.084 0.000 2.210 78 R HA 0.163 4.503 4.340 -0.000 0.000 0.203 78 R C 1.117 177.368 176.300 -0.082 0.000 1.010 78 R CA -0.183 55.874 56.100 -0.071 0.000 1.008 78 R CB -0.014 30.263 30.300 -0.039 0.000 0.923 78 R HN 0.102 nan 8.270 nan 0.000 0.469 79 M N 2.178 121.724 119.600 -0.091 0.000 2.245 79 M HA -0.081 4.399 4.480 -0.000 0.000 0.335 79 M C -0.686 175.552 176.300 -0.104 0.000 1.155 79 M CA 0.547 55.795 55.300 -0.087 0.000 1.055 79 M CB 0.487 33.048 32.600 -0.064 0.000 1.670 79 M HN -0.070 nan 8.290 nan 0.000 0.447 80 D N 3.706 124.073 120.400 -0.055 0.000 2.443 80 D HA 0.118 4.758 4.640 -0.000 0.000 0.239 80 D C 0.763 177.048 176.300 -0.026 0.000 1.136 80 D CA 0.508 54.489 54.000 -0.031 0.000 0.879 80 D CB 1.159 41.956 40.800 -0.004 0.000 1.195 80 D HN 0.744 nan 8.370 nan 0.000 0.443 81 A N 2.216 125.016 122.820 -0.034 0.000 1.940 81 A HA -0.204 4.116 4.320 -0.000 0.000 0.219 81 A C 2.086 179.674 177.584 0.007 0.000 1.176 81 A CA 2.068 54.087 52.037 -0.030 0.000 0.631 81 A CB -0.531 18.471 19.000 0.003 0.000 0.814 81 A HN 0.577 nan 8.150 nan 0.000 0.446 82 S N -1.321 114.396 115.700 0.027 0.000 2.423 82 S HA -0.214 4.256 4.470 -0.000 0.000 0.231 82 S C 1.820 176.450 174.600 0.050 0.000 1.014 82 S CA 1.497 59.719 58.200 0.036 0.000 0.965 82 S CB -0.643 62.580 63.200 0.037 0.000 0.785 82 S HN 0.721 nan 8.310 nan 0.000 0.495 83 H N 1.604 120.650 119.070 -0.039 0.000 2.428 83 H HA 0.247 4.803 4.556 -0.000 0.000 0.296 83 H C 2.261 177.566 175.328 -0.039 0.000 1.062 83 H CA 1.372 57.395 56.048 -0.042 0.000 1.350 83 H CB -0.061 29.670 29.762 -0.052 0.000 1.403 83 H HN 0.369 nan 8.280 nan 0.000 0.533 84 R N -0.761 119.711 120.500 -0.048 0.000 2.120 84 R HA -0.054 4.286 4.340 -0.000 0.000 0.234 84 R C 2.476 178.796 176.300 0.033 0.000 1.123 84 R CA 0.989 57.079 56.100 -0.016 0.000 0.975 84 R CB -0.360 29.900 30.300 -0.067 0.000 0.866 84 R HN 0.394 nan 8.270 nan 0.000 0.446 85 G N 1.096 109.904 108.800 0.013 0.000 2.402 85 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.216 85 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.216 85 G C 1.452 176.341 174.900 -0.019 0.000 1.162 85 G CA 0.152 45.272 45.100 0.034 0.000 0.777 85 G HN 0.102 nan 8.290 nan 0.000 0.539 86 R N 0.190 120.622 120.500 -0.113 0.000 2.081 86 R HA 0.081 4.421 4.340 -0.000 0.000 0.235 86 R C 2.642 178.819 176.300 -0.205 0.000 1.131 86 R CA 0.582 56.583 56.100 -0.165 0.000 0.960 86 R CB -1.051 29.099 30.300 -0.251 0.000 0.856 86 R HN 0.399 nan 8.270 nan 0.000 0.436 87 L N 0.371 121.395 121.223 -0.333 0.000 2.046 87 L HA -0.159 4.181 4.340 -0.000 0.000 0.208 87 L C 2.504 179.330 176.870 -0.072 0.000 1.077 87 L CA 1.074 55.651 54.840 -0.438 0.000 0.747 87 L CB -0.479 41.017 42.059 -0.938 0.000 0.896 87 L HN 0.119 nan 8.230 nan 0.000 0.432 88 L N -0.360 120.955 121.223 0.153 0.000 2.046 88 L HA -0.219 4.121 4.340 -0.000 0.000 0.208 88 L C 2.407 179.381 176.870 0.173 0.000 1.077 88 L CA 1.089 56.106 54.840 0.296 0.000 0.747 88 L CB -0.535 41.691 42.059 0.279 0.000 0.896 88 L HN 0.354 nan 8.230 nan 0.000 0.432 89 N N -0.530 118.225 118.700 0.092 0.000 2.244 89 N HA -0.161 4.579 4.740 -0.000 0.000 0.183 89 N C 1.969 177.514 175.510 0.058 0.000 1.016 89 N CA 0.764 53.854 53.050 0.067 0.000 0.866 89 N CB -0.154 38.352 38.487 0.031 0.000 0.980 89 N HN 0.193 nan 8.380 nan 0.000 0.430 90 R N 1.122 121.643 120.500 0.036 0.000 2.075 90 R HA -0.042 4.298 4.340 -0.000 0.000 0.232 90 R C 2.034 178.381 176.300 0.079 0.000 1.126 90 R CA 0.575 56.693 56.100 0.030 0.000 0.963 90 R CB -0.839 29.446 30.300 -0.024 0.000 0.858 90 R HN 0.191 nan 8.270 nan 0.000 0.435 91 L N 0.849 122.158 121.223 0.144 0.000 2.083 91 L HA -0.076 4.264 4.340 -0.000 0.000 0.209 91 L C 2.194 179.133 176.870 0.115 0.000 1.083 91 L CA 2.156 57.098 54.840 0.170 0.000 0.752 91 L CB -0.821 41.396 42.059 0.263 0.000 0.899 91 L HN 0.164 nan 8.230 nan 0.000 0.433 92 A N -0.980 121.907 122.820 0.112 0.000 1.898 92 A HA -0.196 4.124 4.320 -0.000 0.000 0.216 92 A C 2.016 179.645 177.584 0.075 0.000 1.181 92 A CA 1.755 53.848 52.037 0.093 0.000 0.620 92 A CB -0.744 18.314 19.000 0.096 0.000 0.819 92 A HN 0.522 nan 8.150 nan 0.000 0.442 93 D N 0.140 120.581 120.400 0.068 0.000 2.117 93 D HA -0.113 4.527 4.640 -0.000 0.000 0.197 93 D C 1.990 178.329 176.300 0.064 0.000 0.987 93 D CA 1.035 55.070 54.000 0.058 0.000 0.829 93 D CB -0.297 40.531 40.800 0.047 0.000 0.961 93 D HN 0.449 nan 8.370 nan 0.000 0.460 94 L N 0.577 121.841 121.223 0.068 0.000 2.046 94 L HA -0.124 4.216 4.340 -0.000 0.000 0.208 94 L C 2.589 179.518 176.870 0.098 0.000 1.077 94 L CA 0.719 55.602 54.840 0.072 0.000 0.747 94 L CB -0.295 41.799 42.059 0.059 0.000 0.896 94 L HN 0.016 nan 8.230 nan 0.000 0.432 95 I N -0.216 120.413 120.570 0.098 0.000 2.286 95 I HA -0.289 3.881 4.170 -0.000 0.000 0.248 95 I C 2.558 178.735 176.117 0.100 0.000 1.115 95 I CA 1.334 62.704 61.300 0.116 0.000 1.392 95 I CB -0.218 37.836 38.000 0.091 0.000 1.065 95 I HN 0.357 nan 8.210 nan 0.000 0.418 96 E N 1.195 121.439 120.200 0.073 0.000 2.152 96 E HA -0.239 4.111 4.350 -0.000 0.000 0.192 96 E C 2.376 179.025 176.600 0.081 0.000 0.983 96 E CA 0.654 57.086 56.400 0.054 0.000 0.818 96 E CB 0.045 29.770 29.700 0.043 0.000 0.758 96 E HN 0.274 nan 8.360 nan 0.000 0.467 97 R N 0.414 120.969 120.500 0.092 0.000 2.081 97 R HA -0.121 4.219 4.340 -0.000 0.000 0.235 97 R C 0.363 176.741 176.300 0.130 0.000 1.131 97 R CA 1.771 57.929 56.100 0.098 0.000 0.960 97 R CB 0.065 30.414 30.300 0.082 0.000 0.856 97 R HN 0.126 nan 8.270 nan 0.000 0.436 98 D N -0.131 120.369 120.400 0.167 0.000 2.491 98 D HA 0.019 4.659 4.640 -0.000 0.000 0.228 98 D C 1.077 177.531 176.300 0.256 0.000 1.183 98 D CA -0.045 54.094 54.000 0.231 0.000 0.827 98 D CB 0.231 41.229 40.800 0.330 0.000 0.989 98 D HN 0.248 nan 8.370 nan 0.000 0.494 99 R N 0.583 121.193 120.500 0.184 0.000 2.083 99 R HA -0.138 4.202 4.340 -0.000 0.000 0.237 99 R C 1.442 177.891 176.300 0.247 0.000 1.137 99 R CA 1.659 57.832 56.100 0.122 0.000 0.951 99 R CB -0.095 30.187 30.300 -0.029 0.000 0.851 99 R HN -0.007 nan 8.270 nan 0.000 0.434 100 T N 0.132 114.925 114.554 0.397 0.000 2.684 100 T HA -0.226 4.124 4.350 -0.000 0.000 0.267 100 T C 1.404 176.355 174.700 0.417 0.000 1.036 100 T CA 1.683 64.088 62.100 0.509 0.000 1.148 100 T CB -0.567 68.535 68.868 0.388 0.000 0.863 100 T HN 0.422 nan 8.240 nan 0.000 0.436 101 Y N 1.830 122.245 120.300 0.193 0.000 2.089 101 Y HA -0.070 4.480 4.550 -0.000 0.000 0.282 101 Y C 2.083 178.042 175.900 0.099 0.000 1.139 101 Y CA 1.105 59.270 58.100 0.108 0.000 1.123 101 Y CB -0.682 37.784 38.460 0.010 0.000 0.980 101 Y HN 0.086 nan 8.280 nan 0.000 0.493 102 L N 0.024 121.252 121.223 0.009 0.000 2.079 102 L HA -0.265 4.075 4.340 -0.000 0.000 0.210 102 L C 2.789 179.637 176.870 -0.037 0.000 1.081 102 L CA 1.260 56.047 54.840 -0.088 0.000 0.752 102 L CB -0.951 41.171 42.059 0.104 0.000 0.896 102 L HN 0.426 nan 8.230 nan 0.000 0.433 103 A N -0.177 122.697 122.820 0.090 0.000 1.877 103 A HA -0.189 4.131 4.320 -0.000 0.000 0.216 103 A C 2.520 180.237 177.584 0.221 0.000 1.186 103 A CA 1.789 53.892 52.037 0.109 0.000 0.620 103 A CB -0.738 18.335 19.000 0.122 0.000 0.822 103 A HN 0.413 nan 8.150 nan 0.000 0.443 104 A N -0.651 122.396 122.820 0.378 0.000 1.877 104 A HA -0.026 4.294 4.320 -0.000 0.000 0.216 104 A C 2.126 179.799 177.584 0.149 0.000 1.186 104 A CA 1.724 54.006 52.037 0.409 0.000 0.620 104 A CB -0.628 18.542 19.000 0.284 0.000 0.822 104 A HN 0.669 nan 8.150 nan 0.000 0.443 105 L N -0.182 120.971 121.223 -0.117 0.000 2.131 105 L HA -0.111 4.229 4.340 -0.000 0.000 0.210 105 L C 2.200 179.013 176.870 -0.095 0.000 1.092 105 L CA 2.598 57.321 54.840 -0.195 0.000 0.759 105 L CB -0.560 41.217 42.059 -0.471 0.000 0.903 105 L HN 0.501 nan 8.230 nan 0.000 0.435 106 E N -0.984 119.172 120.200 -0.074 0.000 2.051 106 E HA -0.183 4.167 4.350 -0.000 0.000 0.192 106 E C 2.052 178.601 176.600 -0.084 0.000 0.991 106 E CA 2.032 58.394 56.400 -0.063 0.000 0.799 106 E CB -0.398 29.271 29.700 -0.051 0.000 0.748 106 E HN 0.461 nan 8.360 nan 0.000 0.449 107 T N 0.787 115.282 114.554 -0.097 0.000 2.746 107 T HA -0.139 4.211 4.350 -0.000 0.000 0.267 107 T C 1.713 176.281 174.700 -0.220 0.000 1.039 107 T CA 1.179 63.143 62.100 -0.226 0.000 1.142 107 T CB -0.359 68.251 68.868 -0.429 0.000 0.866 107 T HN 0.108 nan 8.240 nan 0.000 0.444 108 L N 1.232 122.409 121.223 -0.077 0.000 2.017 108 L HA -0.083 4.257 4.340 -0.000 0.000 0.208 108 L C 2.044 178.899 176.870 -0.025 0.000 1.073 108 L CA 1.883 56.743 54.840 0.034 0.000 0.745 108 L CB -0.387 41.744 42.059 0.119 0.000 0.894 108 L HN 0.091 nan 8.230 nan 0.000 0.432 109 D N -1.778 118.595 120.400 -0.045 0.000 2.240 109 D HA -0.131 4.509 4.640 -0.000 0.000 0.206 109 D C 1.870 178.133 176.300 -0.062 0.000 0.963 109 D CA 0.667 54.641 54.000 -0.044 0.000 0.863 109 D CB 0.044 40.826 40.800 -0.031 0.000 0.973 109 D HN 0.422 nan 8.370 nan 0.000 0.501 110 N N -0.659 117.990 118.700 -0.085 0.000 2.436 110 N HA -0.021 4.718 4.740 -0.000 0.000 0.178 110 N C 1.351 176.773 175.510 -0.146 0.000 1.026 110 N CA 1.612 54.600 53.050 -0.102 0.000 0.880 110 N CB 0.793 39.215 38.487 -0.108 0.000 1.061 110 N HN 0.248 nan 8.380 nan 0.000 0.434 111 G N 1.406 110.104 108.800 -0.170 0.000 2.218 111 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.216 111 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.216 111 G C -0.130 174.645 174.900 -0.208 0.000 0.994 111 G CA 0.315 45.293 45.100 -0.203 0.000 0.637 111 G HN 0.656 nan 8.290 nan 0.000 0.505 112 K N 1.030 121.308 120.400 -0.204 0.000 2.355 112 K HA 0.470 4.790 4.320 -0.000 0.000 0.270 112 K C -2.674 173.829 176.600 -0.161 0.000 1.003 112 K CA -1.314 54.857 56.287 -0.192 0.000 0.957 112 K CB 0.491 32.854 32.500 -0.229 0.000 0.939 112 K HN 0.061 nan 8.250 nan 0.000 0.482 113 P HA -0.132 nan 4.420 nan 0.000 0.264 113 P C -0.283 176.997 177.300 -0.034 0.000 1.183 113 P CA 0.059 63.130 63.100 -0.048 0.000 0.763 113 P CB 0.136 31.847 31.700 0.019 0.000 0.807 114 Y N 4.666 124.877 120.300 -0.148 0.000 2.165 114 Y HA -0.261 4.289 4.550 -0.000 0.000 0.286 114 Y C 1.805 177.739 175.900 0.057 0.000 1.155 114 Y CA 1.757 59.814 58.100 -0.072 0.000 1.164 114 Y CB -0.817 37.630 38.460 -0.022 0.000 0.978 114 Y HN 0.080 nan 8.280 nan 0.000 0.513 115 V N 0.469 120.386 119.914 0.006 0.000 2.287 115 V HA -0.347 3.773 4.120 -0.000 0.000 0.248 115 V C 2.371 178.461 176.094 -0.006 0.000 1.053 115 V CA 1.931 64.218 62.300 -0.021 0.000 1.027 115 V CB -0.687 31.190 31.823 0.090 0.000 0.646 115 V HN 0.441 nan 8.190 nan 0.000 0.447 116 I N -0.260 120.331 120.570 0.036 0.000 2.315 116 I HA -0.147 4.023 4.170 -0.000 0.000 0.248 116 I C 2.642 178.787 176.117 0.046 0.000 1.117 116 I CA 1.575 62.934 61.300 0.097 0.000 1.404 116 I CB -1.322 36.763 38.000 0.141 0.000 1.071 116 I HN 0.316 nan 8.210 nan 0.000 0.419 117 S N -0.241 115.433 115.700 -0.044 0.000 2.382 117 S HA -0.217 4.253 4.470 -0.000 0.000 0.228 117 S C 2.087 176.639 174.600 -0.081 0.000 1.027 117 S CA 1.208 59.369 58.200 -0.065 0.000 0.991 117 S CB -0.241 62.901 63.200 -0.097 0.000 0.823 117 S HN 0.463 nan 8.310 nan 0.000 0.469 118 Y N 1.362 121.480 120.300 -0.304 0.000 2.153 118 Y HA 0.162 4.712 4.550 -0.000 0.000 0.289 118 Y C 1.875 177.714 175.900 -0.102 0.000 1.119 118 Y CA 1.451 59.394 58.100 -0.263 0.000 1.116 118 Y CB -0.205 37.975 38.460 -0.468 0.000 1.004 118 Y HN 0.160 nan 8.280 nan 0.000 0.501 119 L N -1.148 120.157 121.223 0.136 0.000 2.313 119 L HA -0.093 4.246 4.340 -0.000 0.000 0.214 119 L C 1.611 178.520 176.870 0.066 0.000 1.119 119 L CA 0.430 55.337 54.840 0.112 0.000 0.809 119 L CB -0.260 41.894 42.059 0.157 0.000 0.933 119 L HN 0.182 nan 8.230 nan 0.000 0.449 120 V N -1.205 118.758 119.914 0.083 0.000 2.868 120 V HA -0.039 4.081 4.120 -0.000 0.000 0.227 120 V C 1.613 177.753 176.094 0.077 0.000 1.136 120 V CA 0.780 63.153 62.300 0.121 0.000 1.206 120 V CB -0.225 31.751 31.823 0.256 0.000 0.997 120 V HN 0.137 nan 8.190 nan 0.000 0.505 121 D N 0.736 121.184 120.400 0.079 0.000 2.137 121 D HA -0.214 4.426 4.640 -0.000 0.000 0.189 121 D C 2.016 178.301 176.300 -0.025 0.000 0.998 121 D CA 1.823 55.842 54.000 0.032 0.000 0.839 121 D CB -0.279 40.546 40.800 0.043 0.000 0.962 121 D HN 0.216 nan 8.370 nan 0.000 0.446 122 L N 0.044 121.231 121.223 -0.060 0.000 2.131 122 L HA -0.150 4.190 4.340 -0.000 0.000 0.210 122 L C 1.873 178.696 176.870 -0.079 0.000 1.092 122 L CA 1.112 55.899 54.840 -0.088 0.000 0.759 122 L CB -0.236 41.725 42.059 -0.162 0.000 0.903 122 L HN 0.058 nan 8.230 nan 0.000 0.435 123 D N -0.321 120.032 120.400 -0.078 0.000 2.117 123 D HA -0.219 4.421 4.640 -0.000 0.000 0.198 123 D C 2.229 178.537 176.300 0.015 0.000 0.982 123 D CA 1.468 55.445 54.000 -0.039 0.000 0.828 123 D CB 0.065 40.854 40.800 -0.019 0.000 0.967 123 D HN 0.190 nan 8.370 nan 0.000 0.464 124 M N -0.699 118.916 119.600 0.026 0.000 2.254 124 M HA -0.060 4.420 4.480 -0.000 0.000 0.265 124 M C 2.047 178.398 176.300 0.085 0.000 1.066 124 M CA 0.444 55.784 55.300 0.066 0.000 1.123 124 M CB 0.273 32.907 32.600 0.056 0.000 1.388 124 M HN -0.032 nan 8.290 nan 0.000 0.425 125 V N 0.570 120.504 119.914 0.032 0.000 2.358 125 V HA -0.248 3.872 4.120 -0.000 0.000 0.246 125 V C 2.202 178.351 176.094 0.092 0.000 1.047 125 V CA 1.570 63.899 62.300 0.048 0.000 1.035 125 V CB -0.611 31.215 31.823 0.005 0.000 0.658 125 V HN 0.456 nan 8.190 nan 0.000 0.452 126 L N -0.516 120.746 121.223 0.065 0.000 2.046 126 L HA -0.182 4.158 4.340 -0.000 0.000 0.208 126 L C 2.577 179.512 176.870 0.108 0.000 1.077 126 L CA 1.713 56.598 54.840 0.076 0.000 0.747 126 L CB -0.627 41.456 42.059 0.040 0.000 0.896 126 L HN 0.267 nan 8.230 nan 0.000 0.432 127 K N -0.839 119.625 120.400 0.107 0.000 2.148 127 K HA -0.174 4.146 4.320 -0.000 0.000 0.204 127 K C 2.282 178.993 176.600 0.186 0.000 1.050 127 K CA 1.401 57.763 56.287 0.125 0.000 0.942 127 K CB -0.366 32.192 32.500 0.096 0.000 0.724 127 K HN 0.397 nan 8.250 nan 0.000 0.446 128 C N 1.066 120.501 119.300 0.224 0.000 2.476 128 C HA 0.000 4.460 4.460 -0.000 0.000 0.278 128 C C 2.405 177.641 174.990 0.411 0.000 1.274 128 C CA 0.400 59.618 59.018 0.333 0.000 1.713 128 C CB -0.854 27.151 27.740 0.440 0.000 2.039 128 C HN 0.383 nan 8.230 nan 0.000 0.484 129 L N 0.425 121.831 121.223 0.305 0.000 2.046 129 L HA -0.091 4.249 4.340 -0.000 0.000 0.208 129 L C 3.035 180.059 176.870 0.257 0.000 1.077 129 L CA 1.684 56.693 54.840 0.281 0.000 0.747 129 L CB -0.670 41.503 42.059 0.191 0.000 0.896 129 L HN 0.319 nan 8.230 nan 0.000 0.432 130 R N -1.328 119.291 120.500 0.199 0.000 2.115 130 R HA -0.200 4.140 4.340 -0.000 0.000 0.230 130 R C 2.244 178.621 176.300 0.130 0.000 1.111 130 R CA 1.448 57.634 56.100 0.143 0.000 0.976 130 R CB -0.410 29.954 30.300 0.108 0.000 0.870 130 R HN 0.300 nan 8.270 nan 0.000 0.445 131 Y N 0.063 120.389 120.300 0.044 0.000 2.133 131 Y HA -0.246 4.304 4.550 -0.000 0.000 0.287 131 Y C 1.635 177.509 175.900 -0.043 0.000 1.134 131 Y CA 1.458 59.523 58.100 -0.058 0.000 1.133 131 Y CB -0.390 37.995 38.460 -0.125 0.000 0.987 131 Y HN -0.016 nan 8.280 nan 0.000 0.502 132 Y N -0.216 120.216 120.300 0.221 0.000 2.421 132 Y HA -0.125 4.425 4.550 -0.000 0.000 0.292 132 Y C 2.566 178.535 175.900 0.114 0.000 1.136 132 Y CA 0.718 58.931 58.100 0.188 0.000 1.255 132 Y CB -0.481 38.120 38.460 0.234 0.000 0.991 132 Y HN 0.289 nan 8.280 nan 0.000 0.552 133 A N 0.095 123.038 122.820 0.204 0.000 1.902 133 A HA -0.155 4.165 4.320 -0.000 0.000 0.217 133 A C 2.521 180.132 177.584 0.046 0.000 1.181 133 A CA 1.757 53.874 52.037 0.134 0.000 0.623 133 A CB -1.415 17.643 19.000 0.098 0.000 0.818 133 A HN 0.461 nan 8.150 nan 0.000 0.443 134 G N -2.337 106.420 108.800 -0.073 0.000 2.443 134 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.219 134 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.219 134 G C 1.345 176.110 174.900 -0.226 0.000 1.131 134 G CA 0.711 45.688 45.100 -0.205 0.000 0.775 134 G HN 0.685 nan 8.290 nan 0.000 0.547 135 W N 0.565 121.758 121.300 -0.179 0.000 2.658 135 W HA 0.294 4.954 4.660 -0.000 0.000 0.263 135 W C 2.760 179.263 176.519 -0.027 0.000 1.274 135 W CA 0.175 57.441 57.345 -0.131 0.000 1.343 135 W CB 0.295 29.677 29.460 -0.130 0.000 1.106 135 W HN 0.252 nan 8.180 nan 0.000 0.615 136 A N 1.222 124.188 122.820 0.244 0.000 1.915 136 A HA -0.306 4.014 4.320 -0.000 0.000 0.220 136 A C 1.306 178.971 177.584 0.135 0.000 1.198 136 A CA 2.494 54.633 52.037 0.171 0.000 0.647 136 A CB -0.891 18.177 19.000 0.113 0.000 0.825 136 A HN 0.372 nan 8.150 nan 0.000 0.456 137 D N -2.378 118.082 120.400 0.100 0.000 2.643 137 D HA 0.242 4.882 4.640 -0.000 0.000 0.244 137 D C 0.466 176.794 176.300 0.047 0.000 1.257 137 D CA -0.046 53.996 54.000 0.070 0.000 0.831 137 D CB 0.085 40.911 40.800 0.043 0.000 1.043 137 D HN 0.489 nan 8.370 nan 0.000 0.488 138 K N -0.673 119.777 120.400 0.083 0.000 2.517 138 K HA 0.054 4.374 4.320 -0.000 0.000 0.210 138 K C -0.500 176.052 176.600 -0.080 0.000 1.166 138 K CA -0.500 55.745 56.287 -0.070 0.000 1.030 138 K CB 0.866 33.319 32.500 -0.078 0.000 0.974 138 K HN -0.028 nan 8.250 nan 0.000 0.585 139 Y N 3.020 123.301 120.300 -0.032 0.000 2.691 139 Y HA 0.165 4.715 4.550 -0.000 0.000 0.338 139 Y C -0.408 175.423 175.900 -0.115 0.000 1.148 139 Y CA -1.397 56.679 58.100 -0.040 0.000 1.430 139 Y CB -0.901 37.571 38.460 0.020 0.000 1.303 139 Y HN 0.086 nan 8.280 nan 0.000 0.499 140 H N 1.439 120.494 119.070 -0.025 0.000 2.679 140 H HA 0.476 5.032 4.556 -0.000 0.000 0.369 140 H C 0.847 175.787 175.328 -0.646 0.000 1.178 140 H CA 0.161 56.074 56.048 -0.225 0.000 1.419 140 H CB 0.842 30.550 29.762 -0.090 0.000 1.458 140 H HN 0.726 nan 8.280 nan 0.000 0.605 141 G N 0.237 108.772 108.800 -0.442 0.000 2.583 141 G HA2 0.506 4.466 3.960 -0.000 0.000 0.280 141 G HA3 0.506 4.466 3.960 -0.000 0.000 0.280 141 G C -0.817 173.950 174.900 -0.221 0.000 1.376 141 G CA -0.903 43.815 45.100 -0.637 0.000 1.043 141 G HN 0.533 nan 8.290 nan 0.000 0.538 142 K N -0.926 119.415 120.400 -0.097 0.000 2.400 142 K HA 0.579 4.899 4.320 -0.000 0.000 0.246 142 K C -1.010 175.627 176.600 0.062 0.000 0.995 142 K CA -0.722 55.560 56.287 -0.009 0.000 0.840 142 K CB 2.150 34.654 32.500 0.006 0.000 1.293 142 K HN 0.590 nan 8.250 nan 0.000 0.445 143 T N -0.976 113.631 114.554 0.088 0.000 2.809 143 T HA 0.537 4.887 4.350 -0.000 0.000 0.296 143 T C -0.104 174.674 174.700 0.130 0.000 1.015 143 T CA -0.733 61.470 62.100 0.171 0.000 0.954 143 T CB -0.185 68.838 68.868 0.259 0.000 0.950 143 T HN 0.373 nan 8.240 nan 0.000 0.450 144 I N 5.511 126.145 120.570 0.108 0.000 2.331 144 I HA 0.334 4.504 4.170 -0.000 0.000 0.292 144 I C -1.744 174.437 176.117 0.107 0.000 0.998 144 I CA -2.726 58.621 61.300 0.079 0.000 1.267 144 I CB 1.921 39.942 38.000 0.035 0.000 1.386 144 I HN 0.460 nan 8.210 nan 0.000 0.476 145 P HA 0.157 nan 4.420 nan 0.000 0.226 145 P C 0.018 177.371 177.300 0.087 0.000 1.783 145 P CA 0.046 63.204 63.100 0.097 0.000 0.980 145 P CB 0.135 31.878 31.700 0.072 0.000 1.967 146 I N 1.011 121.641 120.570 0.099 0.000 2.938 146 I HA 0.037 4.207 4.170 -0.000 0.000 0.285 146 I C 0.170 176.361 176.117 0.124 0.000 1.182 146 I CA -0.011 61.340 61.300 0.085 0.000 1.388 146 I CB 0.663 38.701 38.000 0.064 0.000 1.390 146 I HN 0.027 nan 8.210 nan 0.000 0.600 147 D N 4.495 124.958 120.400 0.105 0.000 2.382 147 D HA 0.468 5.108 4.640 -0.000 0.000 0.240 147 D C 0.334 176.783 176.300 0.248 0.000 1.146 147 D CA 1.090 55.167 54.000 0.128 0.000 0.897 147 D CB 0.906 41.758 40.800 0.086 0.000 1.197 147 D HN 0.961 nan 8.370 nan 0.000 0.432 148 G N 1.274 110.201 108.800 0.212 0.000 2.796 148 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.571 148 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.571 148 G C -0.827 174.114 174.900 0.068 0.000 1.370 148 G CA -0.766 44.477 45.100 0.239 0.000 0.856 148 G HN 0.520 nan 8.290 nan 0.000 0.538 149 D N 0.946 121.149 120.400 -0.329 0.000 2.608 149 D HA 0.463 5.103 4.640 -0.000 0.000 0.224 149 D C -0.117 175.702 176.300 -0.801 0.000 1.123 149 D CA 0.959 54.698 54.000 -0.435 0.000 1.030 149 D CB -0.370 40.211 40.800 -0.366 0.000 1.093 149 D HN 0.253 nan 8.370 nan 0.000 0.497 150 F N 0.449 120.447 119.950 0.081 0.000 2.613 150 F HA 0.409 4.936 4.527 -0.000 0.000 0.314 150 F C -0.412 175.509 175.800 0.202 0.000 1.075 150 F CA -1.449 56.618 58.000 0.111 0.000 0.945 150 F CB 1.691 40.729 39.000 0.064 0.000 1.310 150 F HN -0.119 nan 8.300 nan 0.000 0.467 151 F N 2.025 122.119 119.950 0.241 0.000 2.403 151 F HA 0.659 5.186 4.527 -0.000 0.000 0.355 151 F C -0.675 175.259 175.800 0.224 0.000 1.119 151 F CA -1.112 57.001 58.000 0.188 0.000 1.007 151 F CB 1.117 40.209 39.000 0.153 0.000 1.194 151 F HN 0.268 nan 8.300 nan 0.000 0.443 152 S N 6.724 122.408 115.700 -0.026 0.000 2.482 152 S HA 0.802 5.272 4.470 -0.000 0.000 0.303 152 S C -1.318 173.138 174.600 -0.240 0.000 1.091 152 S CA -0.275 57.792 58.200 -0.220 0.000 1.057 152 S CB 0.654 63.804 63.200 -0.082 0.000 1.031 152 S HN 0.693 nan 8.310 nan 0.000 0.485 153 Y N 0.173 120.209 120.300 -0.440 0.000 2.655 153 Y HA 0.804 5.354 4.550 -0.000 0.000 0.336 153 Y C -0.569 175.222 175.900 -0.181 0.000 1.154 153 Y CA -1.082 56.839 58.100 -0.299 0.000 1.055 153 Y CB 0.952 39.185 38.460 -0.380 0.000 1.295 153 Y HN 0.542 nan 8.280 nan 0.000 0.465 154 T N -0.447 114.124 114.554 0.028 0.000 2.893 154 T HA 0.738 5.088 4.350 -0.000 0.000 0.291 154 T C -0.977 173.762 174.700 0.066 0.000 1.028 154 T CA -1.089 60.998 62.100 -0.021 0.000 0.995 154 T CB 1.981 70.859 68.868 0.016 0.000 1.051 154 T HN 0.823 nan 8.240 nan 0.000 0.470 155 R N 0.842 121.384 120.500 0.069 0.000 2.562 155 R HA 0.385 4.725 4.340 -0.000 0.000 0.298 155 R C -0.534 175.882 176.300 0.193 0.000 0.961 155 R CA -0.762 55.398 56.100 0.100 0.000 0.881 155 R CB 1.352 31.711 30.300 0.099 0.000 1.159 155 R HN 0.732 nan 8.270 nan 0.000 0.450 156 H N 2.096 121.154 119.070 -0.020 0.000 2.787 156 H HA 0.144 4.699 4.556 -0.000 0.000 0.275 156 H C -0.401 174.959 175.328 0.053 0.000 1.183 156 H CA -0.395 55.639 56.048 -0.024 0.000 1.290 156 H CB 1.008 30.677 29.762 -0.155 0.000 1.438 156 H HN 0.373 nan 8.280 nan 0.000 0.487 157 E N 4.021 124.322 120.200 0.169 0.000 2.250 157 E HA 0.229 4.579 4.350 -0.000 0.000 0.269 157 E C -2.409 174.308 176.600 0.196 0.000 1.018 157 E CA -2.217 54.279 56.400 0.161 0.000 0.873 157 E CB 1.165 30.946 29.700 0.136 0.000 1.134 157 E HN 0.380 nan 8.360 nan 0.000 0.403 158 P HA -0.067 nan 4.420 nan 0.000 0.272 158 P C 0.460 177.911 177.300 0.252 0.000 1.223 158 P CA -0.043 63.243 63.100 0.310 0.000 0.784 158 P CB 0.697 32.701 31.700 0.506 0.000 0.923 159 V N 1.417 121.419 119.914 0.146 0.000 2.667 159 V HA 0.104 4.224 4.120 -0.000 0.000 0.252 159 V C 1.074 177.112 176.094 -0.094 0.000 1.065 159 V CA 2.562 64.889 62.300 0.045 0.000 1.083 159 V CB -1.077 30.756 31.823 0.018 0.000 0.692 159 V HN 0.964 nan 8.190 nan 0.000 0.468 160 G N -0.733 107.873 108.800 -0.324 0.000 2.390 160 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.202 160 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.202 160 G C -0.414 174.075 174.900 -0.686 0.000 1.210 160 G CA -0.216 44.273 45.100 -1.018 0.000 1.271 160 G HN 0.534 nan 8.290 nan 0.000 0.543 161 V N 1.299 120.944 119.914 -0.448 0.000 2.405 161 V HA 0.420 4.540 4.120 -0.000 0.000 0.264 161 V C 0.424 176.442 176.094 -0.127 0.000 1.048 161 V CA -0.207 61.946 62.300 -0.245 0.000 0.966 161 V CB 0.336 32.044 31.823 -0.192 0.000 1.015 161 V HN 0.818 nan 8.190 nan 0.000 0.477 162 C N 4.841 124.105 119.300 -0.060 0.000 2.273 162 C HA 0.676 5.136 4.460 -0.000 0.000 0.328 162 C C 1.091 176.094 174.990 0.022 0.000 1.275 162 C CA -0.934 58.102 59.018 0.029 0.000 1.704 162 C CB 0.233 28.076 27.740 0.172 0.000 2.326 162 C HN 0.994 nan 8.230 nan 0.000 0.517 163 G N 3.080 111.896 108.800 0.025 0.000 2.339 163 G HA2 0.503 4.463 3.960 -0.000 0.000 0.287 163 G HA3 0.503 4.463 3.960 -0.000 0.000 0.287 163 G C -0.718 174.225 174.900 0.072 0.000 1.163 163 G CA -0.146 44.974 45.100 0.032 0.000 0.872 163 G HN 0.819 nan 8.290 nan 0.000 0.464 164 Q N 1.934 121.773 119.800 0.065 0.000 2.339 164 Q HA 0.381 4.721 4.340 -0.000 0.000 0.268 164 Q C -0.697 175.344 176.000 0.067 0.000 1.027 164 Q CA -0.390 55.460 55.803 0.078 0.000 0.759 164 Q CB 2.499 31.276 28.738 0.064 0.000 1.244 164 Q HN 0.536 nan 8.270 nan 0.000 0.464 165 I N 4.917 125.541 120.570 0.090 0.000 2.330 165 I HA 0.427 4.597 4.170 -0.000 0.000 0.289 165 I C -0.006 176.086 176.117 -0.043 0.000 1.001 165 I CA -0.759 60.592 61.300 0.084 0.000 1.193 165 I CB 0.657 38.803 38.000 0.244 0.000 1.345 165 I HN 0.525 nan 8.210 nan 0.000 0.461 166 I N 5.525 126.060 120.570 -0.057 0.000 2.693 166 I HA 0.736 4.906 4.170 -0.000 0.000 0.303 166 I C -2.566 173.459 176.117 -0.153 0.000 1.025 166 I CA -2.234 58.988 61.300 -0.129 0.000 1.086 166 I CB 2.027 39.981 38.000 -0.077 0.000 1.268 166 I HN 0.235 nan 8.210 nan 0.000 0.440 167 P HA 0.120 nan 4.420 nan 0.000 0.297 167 P C -0.220 176.918 177.300 -0.270 0.000 1.303 167 P CA -0.053 62.825 63.100 -0.369 0.000 0.753 167 P CB 0.552 31.898 31.700 -0.591 0.000 1.281 168 W N -0.132 121.074 121.300 -0.156 0.000 3.058 168 W HA 0.072 4.731 4.660 -0.000 0.000 0.306 168 W C 1.037 177.411 176.519 -0.243 0.000 1.188 168 W CA 0.142 57.388 57.345 -0.165 0.000 1.651 168 W CB -1.542 27.828 29.460 -0.150 0.000 1.051 168 W HN 0.201 nan 8.180 nan 0.000 0.592 169 N N 2.262 120.593 118.700 -0.616 0.000 2.166 169 N HA -0.200 4.540 4.740 -0.000 0.000 0.186 169 N C -0.099 174.918 175.510 -0.821 0.000 1.019 169 N CA 1.021 53.686 53.050 -0.642 0.000 0.856 169 N CB -1.126 36.864 38.487 -0.829 0.000 0.993 169 N HN 0.127 nan 8.380 nan 0.000 0.426 170 F N -0.393 119.391 119.950 -0.277 0.000 2.794 170 F HA 0.414 4.941 4.527 -0.000 0.000 0.353 170 F C -1.832 173.820 175.800 -0.247 0.000 1.371 170 F CA -2.020 55.815 58.000 -0.277 0.000 1.173 170 F CB 2.171 40.931 39.000 -0.400 0.000 1.693 170 F HN -0.179 nan 8.300 nan 0.000 0.606 171 P HA -0.229 nan 4.420 nan 0.000 0.214 171 P C 1.912 179.183 177.300 -0.048 0.000 1.169 171 P CA 1.760 64.838 63.100 -0.037 0.000 0.908 171 P CB 0.413 32.105 31.700 -0.015 0.000 0.791 172 L N -2.017 119.180 121.223 -0.044 0.000 2.005 172 L HA -0.162 4.178 4.340 -0.000 0.000 0.207 172 L C 2.478 179.278 176.870 -0.116 0.000 1.072 172 L CA 1.048 55.858 54.840 -0.051 0.000 0.744 172 L CB -1.064 40.979 42.059 -0.027 0.000 0.895 172 L HN -0.021 nan 8.230 nan 0.000 0.433 173 L N -0.706 120.399 121.223 -0.198 0.000 2.042 173 L HA -0.235 4.105 4.340 -0.000 0.000 0.210 173 L C 2.528 179.042 176.870 -0.593 0.000 1.076 173 L CA 1.813 56.378 54.840 -0.459 0.000 0.749 173 L CB -0.430 41.220 42.059 -0.682 0.000 0.893 173 L HN 0.186 nan 8.230 nan 0.000 0.432 174 M N -1.062 118.291 119.600 -0.412 0.000 2.159 174 M HA -0.246 4.234 4.480 -0.000 0.000 0.263 174 M C 2.269 178.514 176.300 -0.091 0.000 1.063 174 M CA 1.635 56.780 55.300 -0.258 0.000 1.110 174 M CB -1.143 31.359 32.600 -0.164 0.000 1.374 174 M HN 0.506 nan 8.290 nan 0.000 0.411 175 Q N -0.249 119.499 119.800 -0.087 0.000 2.050 175 Q HA -0.129 4.211 4.340 -0.000 0.000 0.202 175 Q C 2.022 178.012 176.000 -0.018 0.000 0.980 175 Q CA 1.916 57.693 55.803 -0.044 0.000 0.840 175 Q CB -0.004 28.706 28.738 -0.045 0.000 0.898 175 Q HN 0.485 nan 8.270 nan 0.000 0.424 176 A N 0.057 122.871 122.820 -0.011 0.000 1.902 176 A HA -0.182 4.138 4.320 -0.000 0.000 0.217 176 A C 1.541 179.247 177.584 0.204 0.000 1.181 176 A CA 1.251 53.331 52.037 0.073 0.000 0.623 176 A CB -1.100 17.951 19.000 0.085 0.000 0.818 176 A HN 0.620 nan 8.150 nan 0.000 0.443 177 W N 0.255 121.544 121.300 -0.017 0.000 2.421 177 W HA -0.015 4.645 4.660 -0.000 0.000 0.270 177 W C 1.952 178.430 176.519 -0.069 0.000 1.233 177 W CA 1.160 58.503 57.345 -0.004 0.000 1.226 177 W CB -0.193 29.263 29.460 -0.007 0.000 1.121 177 W HN 0.245 nan 8.180 nan 0.000 0.579 178 K N -0.424 120.052 120.400 0.127 0.000 2.141 178 K HA 0.128 4.448 4.320 -0.000 0.000 0.202 178 K C 2.071 178.563 176.600 -0.180 0.000 1.045 178 K CA 0.561 56.849 56.287 0.002 0.000 0.971 178 K CB -0.902 31.619 32.500 0.034 0.000 0.795 178 K HN 0.187 nan 8.250 nan 0.000 0.459 179 L N 0.455 121.596 121.223 -0.136 0.000 2.093 179 L HA -0.072 4.268 4.340 -0.000 0.000 0.208 179 L C 2.417 179.156 176.870 -0.219 0.000 1.085 179 L CA 1.281 56.007 54.840 -0.190 0.000 0.755 179 L CB -0.992 40.972 42.059 -0.157 0.000 0.904 179 L HN 0.250 nan 8.230 nan 0.000 0.435 180 G N 1.405 110.090 108.800 -0.192 0.000 2.628 180 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.217 180 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.217 180 G C -0.459 174.069 174.900 -0.620 0.000 1.240 180 G CA 1.172 46.122 45.100 -0.250 0.000 0.792 180 G HN 0.311 nan 8.290 nan 0.000 0.593 181 P HA -0.009 nan 4.420 nan 0.000 0.216 181 P C 2.067 178.997 177.300 -0.616 0.000 1.153 181 P CA 2.052 64.619 63.100 -0.888 0.000 0.844 181 P CB -0.169 31.100 31.700 -0.719 0.000 0.787 182 A N 0.488 122.767 122.820 -0.902 0.000 1.877 182 A HA -0.132 4.188 4.320 -0.000 0.000 0.216 182 A C 2.493 179.972 177.584 -0.175 0.000 1.186 182 A CA 1.529 53.090 52.037 -0.794 0.000 0.620 182 A CB -1.599 16.928 19.000 -0.788 0.000 0.822 182 A HN 0.127 nan 8.150 nan 0.000 0.443 183 L N -1.043 120.137 121.223 -0.073 0.000 2.109 183 L HA -0.101 4.239 4.340 -0.000 0.000 0.207 183 L C 3.068 180.130 176.870 0.319 0.000 1.086 183 L CA 0.843 55.836 54.840 0.255 0.000 0.760 183 L CB -0.593 41.586 42.059 0.198 0.000 0.910 183 L HN 0.430 nan 8.230 nan 0.000 0.437 184 A N 0.319 123.234 122.820 0.158 0.000 1.978 184 A HA -0.201 4.119 4.320 -0.000 0.000 0.220 184 A C 2.216 179.888 177.584 0.148 0.000 1.170 184 A CA 2.225 54.372 52.037 0.183 0.000 0.636 184 A CB -0.854 18.283 19.000 0.229 0.000 0.810 184 A HN 0.517 nan 8.150 nan 0.000 0.448 185 T N -4.242 110.386 114.554 0.123 0.000 3.144 185 T HA 0.420 4.770 4.350 -0.000 0.000 0.249 185 T C 1.204 176.007 174.700 0.171 0.000 1.089 185 T CA 0.918 63.109 62.100 0.151 0.000 0.989 185 T CB 0.006 68.972 68.868 0.163 0.000 0.992 185 T HN 1.700 nan 8.240 nan 0.000 0.540 186 G N 1.671 110.586 108.800 0.193 0.000 2.149 186 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.235 186 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.235 186 G C -0.113 175.166 174.900 0.632 0.000 1.018 186 G CA -0.269 44.941 45.100 0.183 0.000 0.728 186 G HN 0.602 nan 8.290 nan 0.000 0.508 187 N N -0.784 118.258 118.700 0.570 0.000 2.447 187 N HA 0.628 5.368 4.740 -0.000 0.000 0.271 187 N C 0.397 176.143 175.510 0.393 0.000 1.226 187 N CA 0.297 53.609 53.050 0.437 0.000 0.980 187 N CB 1.950 40.556 38.487 0.198 0.000 1.206 187 N HN 0.649 nan 8.380 nan 0.000 0.558 188 V N -1.895 118.093 119.914 0.124 0.000 2.715 188 V HA 0.710 4.830 4.120 -0.000 0.000 0.310 188 V C -0.153 175.895 176.094 -0.077 0.000 1.054 188 V CA -0.725 61.558 62.300 -0.029 0.000 0.928 188 V CB 1.545 33.369 31.823 0.002 0.000 1.007 188 V HN 0.259 nan 8.190 nan 0.000 0.437 189 V N 3.197 123.043 119.914 -0.113 0.000 2.680 189 V HA 0.623 4.743 4.120 -0.000 0.000 0.309 189 V C -0.416 175.635 176.094 -0.071 0.000 1.052 189 V CA -0.582 61.667 62.300 -0.086 0.000 0.908 189 V CB 2.118 33.877 31.823 -0.105 0.000 1.001 189 V HN 0.787 nan 8.190 nan 0.000 0.431 190 V N 4.881 124.767 119.914 -0.046 0.000 2.340 190 V HA 0.416 4.536 4.120 -0.000 0.000 0.277 190 V C -0.219 175.873 176.094 -0.003 0.000 1.017 190 V CA -0.170 62.111 62.300 -0.032 0.000 0.820 190 V CB 1.263 33.054 31.823 -0.053 0.000 1.028 190 V HN 0.900 nan 8.190 nan 0.000 0.436 191 M N 4.647 124.250 119.600 0.005 0.000 2.209 191 M HA 0.542 5.022 4.480 -0.000 0.000 0.355 191 M C -0.434 175.891 176.300 0.040 0.000 1.171 191 M CA -0.465 54.845 55.300 0.018 0.000 1.069 191 M CB 1.089 33.687 32.600 -0.004 0.000 1.622 191 M HN 0.329 nan 8.290 nan 0.000 0.459 192 K N 5.541 125.971 120.400 0.049 0.000 2.389 192 K HA 0.364 4.684 4.320 -0.000 0.000 0.261 192 K C -1.222 175.410 176.600 0.054 0.000 1.014 192 K CA -0.369 55.954 56.287 0.061 0.000 0.920 192 K CB 0.658 33.202 32.500 0.074 0.000 1.149 192 K HN 0.670 nan 8.250 nan 0.000 0.444 193 V N 0.946 120.895 119.914 0.059 0.000 2.904 193 V HA 0.622 4.742 4.120 -0.000 0.000 0.305 193 V C 0.522 176.655 176.094 0.064 0.000 1.067 193 V CA -1.148 61.185 62.300 0.056 0.000 1.044 193 V CB 1.027 32.891 31.823 0.068 0.000 1.050 193 V HN 0.698 nan 8.190 nan 0.000 0.475 194 A N 1.948 124.812 122.820 0.074 0.000 2.511 194 A HA 0.238 4.558 4.320 -0.000 0.000 0.242 194 A C 1.048 178.691 177.584 0.098 0.000 1.069 194 A CA 0.269 52.374 52.037 0.115 0.000 0.763 194 A CB -0.383 18.741 19.000 0.207 0.000 1.001 194 A HN 1.047 nan 8.150 nan 0.000 0.498 195 E N 1.677 121.891 120.200 0.022 0.000 2.160 195 E HA -0.249 4.101 4.350 -0.000 0.000 0.195 195 E C 1.557 178.225 176.600 0.113 0.000 0.991 195 E CA 1.867 58.212 56.400 -0.093 0.000 0.810 195 E CB -0.131 29.392 29.700 -0.296 0.000 0.742 195 E HN 0.833 nan 8.360 nan 0.000 0.466 196 Q N -0.104 119.736 119.800 0.067 0.000 2.245 196 Q HA -0.006 4.334 4.340 -0.000 0.000 0.201 196 Q C 0.667 176.696 176.000 0.049 0.000 0.955 196 Q CA 1.481 57.288 55.803 0.007 0.000 0.870 196 Q CB 0.421 29.034 28.738 -0.208 0.000 0.945 196 Q HN 0.311 nan 8.270 nan 0.000 0.461 197 T N -3.460 111.155 114.554 0.100 0.000 3.542 197 T HA 0.305 4.655 4.350 -0.000 0.000 0.276 197 T C -2.460 172.291 174.700 0.086 0.000 1.412 197 T CA -1.332 60.815 62.100 0.078 0.000 1.664 197 T CB 1.127 70.040 68.868 0.075 0.000 0.863 197 T HN -0.034 nan 8.240 nan 0.000 0.661 198 P HA 0.223 nan 4.420 nan 0.000 0.239 198 P C 1.652 179.000 177.300 0.079 0.000 1.188 198 P CA -0.192 62.974 63.100 0.109 0.000 0.794 198 P CB 0.398 32.202 31.700 0.175 0.000 0.937 199 L N 0.695 121.946 121.223 0.046 0.000 1.956 199 L HA -0.186 4.154 4.340 -0.000 0.000 0.216 199 L C 2.839 179.759 176.870 0.083 0.000 1.073 199 L CA 2.983 57.846 54.840 0.038 0.000 0.762 199 L CB -2.221 39.834 42.059 -0.006 0.000 0.889 199 L HN 0.118 nan 8.230 nan 0.000 0.433 200 T N -1.891 112.698 114.554 0.058 0.000 2.720 200 T HA -0.205 4.145 4.350 -0.000 0.000 0.268 200 T C 1.948 176.727 174.700 0.132 0.000 1.037 200 T CA 1.185 63.340 62.100 0.092 0.000 1.144 200 T CB -0.580 68.308 68.868 0.034 0.000 0.864 200 T HN 0.359 nan 8.240 nan 0.000 0.444 201 A N 1.701 124.571 122.820 0.084 0.000 1.908 201 A HA 0.121 4.441 4.320 -0.000 0.000 0.218 201 A C 2.499 180.128 177.584 0.075 0.000 1.181 201 A CA 1.486 53.558 52.037 0.058 0.000 0.627 201 A CB -0.932 18.093 19.000 0.041 0.000 0.818 201 A HN 0.562 nan 8.150 nan 0.000 0.445 202 L N -2.344 118.961 121.223 0.137 0.000 2.093 202 L HA -0.161 4.179 4.340 -0.000 0.000 0.208 202 L C 2.571 179.591 176.870 0.250 0.000 1.085 202 L CA 1.518 56.495 54.840 0.228 0.000 0.755 202 L CB -0.556 41.635 42.059 0.220 0.000 0.904 202 L HN 0.590 nan 8.230 nan 0.000 0.435 203 Y N 0.147 120.518 120.300 0.119 0.000 2.242 203 Y HA -0.187 4.363 4.550 -0.000 0.000 0.291 203 Y C 2.346 178.313 175.900 0.111 0.000 1.137 203 Y CA 1.224 59.416 58.100 0.153 0.000 1.181 203 Y CB -0.179 38.425 38.460 0.239 0.000 0.989 203 Y HN -0.168 nan 8.280 nan 0.000 0.527 204 V N 0.326 120.262 119.914 0.038 0.000 2.407 204 V HA -0.324 3.796 4.120 -0.000 0.000 0.248 204 V C 2.633 178.590 176.094 -0.229 0.000 1.055 204 V CA 1.696 63.949 62.300 -0.079 0.000 1.049 204 V CB -1.448 30.366 31.823 -0.015 0.000 0.662 204 V HN 0.564 nan 8.190 nan 0.000 0.455 205 A N 0.136 122.774 122.820 -0.303 0.000 1.972 205 A HA -0.271 4.049 4.320 -0.000 0.000 0.219 205 A C 2.041 179.203 177.584 -0.703 0.000 1.169 205 A CA 2.223 53.810 52.037 -0.751 0.000 0.635 205 A CB -0.742 17.536 19.000 -1.203 0.000 0.810 205 A HN 0.597 nan 8.150 nan 0.000 0.446 206 N N -0.105 118.435 118.700 -0.266 0.000 2.216 206 N HA -0.014 4.726 4.740 -0.000 0.000 0.183 206 N C 1.506 176.922 175.510 -0.157 0.000 1.017 206 N CA 1.131 54.144 53.050 -0.061 0.000 0.861 206 N CB -0.300 38.167 38.487 -0.033 0.000 0.986 206 N HN 0.480 nan 8.380 nan 0.000 0.428 207 L N -0.053 121.013 121.223 -0.262 0.000 2.141 207 L HA -0.039 4.301 4.340 -0.000 0.000 0.209 207 L C 1.965 178.816 176.870 -0.032 0.000 1.094 207 L CA 0.643 55.394 54.840 -0.148 0.000 0.763 207 L CB -0.320 41.659 42.059 -0.134 0.000 0.908 207 L HN 0.228 nan 8.230 nan 0.000 0.437 208 I N 0.133 120.654 120.570 -0.081 0.000 2.286 208 I HA -0.303 3.867 4.170 -0.000 0.000 0.248 208 I C 2.725 178.946 176.117 0.173 0.000 1.115 208 I CA 1.318 62.623 61.300 0.009 0.000 1.392 208 I CB -0.212 37.641 38.000 -0.246 0.000 1.065 208 I HN 0.273 nan 8.210 nan 0.000 0.418 209 K N 1.113 121.576 120.400 0.105 0.000 2.062 209 K HA -0.221 4.099 4.320 -0.000 0.000 0.205 209 K C 2.071 178.738 176.600 0.112 0.000 1.051 209 K CA 1.411 57.794 56.287 0.159 0.000 0.941 209 K CB -0.044 32.572 32.500 0.193 0.000 0.719 209 K HN 0.233 nan 8.250 nan 0.000 0.440 210 E N -0.079 120.163 120.200 0.071 0.000 2.150 210 E HA -0.148 4.202 4.350 -0.000 0.000 0.193 210 E C 1.611 178.245 176.600 0.057 0.000 0.985 210 E CA 0.827 57.256 56.400 0.048 0.000 0.814 210 E CB -0.034 29.674 29.700 0.012 0.000 0.752 210 E HN 0.441 nan 8.360 nan 0.000 0.466 211 A N -0.002 122.874 122.820 0.095 0.000 2.067 211 A HA 0.054 4.374 4.320 -0.000 0.000 0.219 211 A C 1.865 179.447 177.584 -0.003 0.000 1.158 211 A CA 1.442 53.524 52.037 0.076 0.000 0.661 211 A CB -0.334 18.777 19.000 0.186 0.000 0.801 211 A HN 0.493 nan 8.150 nan 0.000 0.452 212 G N -2.931 105.897 108.800 0.046 0.000 2.192 212 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.193 212 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.193 212 G C 0.005 174.904 174.900 -0.001 0.000 0.999 212 G CA -0.230 44.872 45.100 0.004 0.000 0.659 212 G HN 0.271 nan 8.290 nan 0.000 0.503 213 F N 2.035 122.008 119.950 0.038 0.000 2.578 213 F HA 0.391 4.918 4.527 -0.000 0.000 0.376 213 F C -1.095 174.699 175.800 -0.009 0.000 1.085 213 F CA -1.134 56.869 58.000 0.005 0.000 1.260 213 F CB 0.411 39.353 39.000 -0.096 0.000 1.095 213 F HN -0.085 nan 8.300 nan 0.000 0.573 214 P HA 0.035 nan 4.420 nan 0.000 0.268 214 P C -2.540 174.776 177.300 0.027 0.000 1.208 214 P CA -0.805 62.357 63.100 0.104 0.000 0.777 214 P CB 0.046 31.843 31.700 0.162 0.000 0.875 215 P HA 0.074 nan 4.420 nan 0.000 0.267 215 P C 0.937 178.191 177.300 -0.076 0.000 1.205 215 P CA 1.228 64.292 63.100 -0.060 0.000 0.765 215 P CB 0.121 31.787 31.700 -0.056 0.000 0.828 216 G N 1.420 110.146 108.800 -0.123 0.000 2.217 216 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.246 216 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.246 216 G C 1.011 175.827 174.900 -0.140 0.000 0.990 216 G CA 0.237 45.270 45.100 -0.112 0.000 0.627 216 G HN 0.394 nan 8.290 nan 0.000 0.522 217 V N -0.145 119.637 119.914 -0.219 0.000 2.358 217 V HA 0.076 4.196 4.120 -0.000 0.000 0.246 217 V C 1.437 177.335 176.094 -0.328 0.000 1.047 217 V CA 2.019 64.062 62.300 -0.428 0.000 1.035 217 V CB 0.065 31.445 31.823 -0.739 0.000 0.658 217 V HN 0.414 nan 8.190 nan 0.000 0.452 218 V N 1.577 121.360 119.914 -0.218 0.000 2.483 218 V HA 0.495 4.615 4.120 -0.000 0.000 0.297 218 V C -0.951 175.165 176.094 0.036 0.000 1.027 218 V CA -0.795 61.417 62.300 -0.146 0.000 0.855 218 V CB 1.831 33.507 31.823 -0.245 0.000 0.995 218 V HN 0.433 nan 8.190 nan 0.000 0.424 219 N N 5.390 124.104 118.700 0.022 0.000 2.346 219 N HA 0.621 5.361 4.740 -0.000 0.000 0.289 219 N C -1.179 174.388 175.510 0.095 0.000 1.027 219 N CA -0.358 52.746 53.050 0.089 0.000 0.864 219 N CB 2.957 41.435 38.487 -0.016 0.000 1.370 219 N HN 0.512 nan 8.380 nan 0.000 0.481 220 I N 1.525 122.202 120.570 0.178 0.000 2.389 220 I HA 0.325 4.495 4.170 -0.000 0.000 0.288 220 I C -0.366 175.845 176.117 0.156 0.000 0.999 220 I CA -0.992 60.382 61.300 0.124 0.000 1.129 220 I CB 1.948 40.001 38.000 0.088 0.000 1.288 220 I HN 0.053 nan 8.210 nan 0.000 0.444 221 V N 8.161 128.145 119.914 0.117 0.000 2.284 221 V HA 0.294 4.414 4.120 -0.000 0.000 0.274 221 V C -2.078 174.089 176.094 0.123 0.000 1.023 221 V CA -1.573 60.801 62.300 0.123 0.000 0.808 221 V CB 1.047 32.922 31.823 0.087 0.000 1.035 221 V HN 0.573 nan 8.190 nan 0.000 0.445 222 P HA 0.570 nan 4.420 nan 0.000 0.274 222 P C 0.178 177.559 177.300 0.135 0.000 1.231 222 P CA 0.486 63.693 63.100 0.179 0.000 0.790 222 P CB 2.068 33.920 31.700 0.253 0.000 0.951 223 G N 0.738 109.503 108.800 -0.058 0.000 2.343 223 G HA2 0.280 4.240 3.960 -0.000 0.000 0.289 223 G HA3 0.280 4.240 3.960 -0.000 0.000 0.289 223 G C -1.553 173.012 174.900 -0.558 0.000 1.295 223 G CA -0.898 43.975 45.100 -0.378 0.000 0.869 223 G HN 0.273 nan 8.290 nan 0.000 0.522 224 F N 0.563 120.381 119.950 -0.221 0.000 2.378 224 F HA 0.498 5.025 4.527 -0.000 0.000 0.319 224 F C 1.894 177.659 175.800 -0.058 0.000 1.155 224 F CA 0.522 58.418 58.000 -0.173 0.000 1.157 224 F CB 1.405 40.310 39.000 -0.158 0.000 1.252 224 F HN 0.645 nan 8.300 nan 0.000 0.550 225 G N 0.610 109.532 108.800 0.203 0.000 2.434 225 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.214 225 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.214 225 G C -0.977 173.987 174.900 0.108 0.000 1.202 225 G CA 0.467 45.652 45.100 0.142 0.000 0.788 225 G HN 0.470 nan 8.290 nan 0.000 0.539 226 P HA -0.047 nan 4.420 nan 0.000 0.223 226 P C 1.793 179.128 177.300 0.057 0.000 1.144 226 P CA 1.984 65.112 63.100 0.048 0.000 0.783 226 P CB -0.026 31.683 31.700 0.016 0.000 0.771 227 T N -3.648 110.962 114.554 0.094 0.000 3.246 227 T HA 0.252 4.602 4.350 -0.000 0.000 0.231 227 T C 1.948 176.698 174.700 0.083 0.000 0.986 227 T CA 0.610 62.766 62.100 0.093 0.000 1.340 227 T CB -1.151 67.801 68.868 0.139 0.000 1.063 227 T HN -0.095 nan 8.240 nan 0.000 0.427 228 A N 1.786 124.660 122.820 0.089 0.000 1.873 228 A HA 0.272 4.592 4.320 -0.000 0.000 0.215 228 A C 2.657 180.289 177.584 0.079 0.000 1.186 228 A CA 1.889 53.972 52.037 0.076 0.000 0.616 228 A CB -1.745 17.292 19.000 0.061 0.000 0.823 228 A HN 0.677 nan 8.150 nan 0.000 0.442 229 G N -0.427 108.426 108.800 0.087 0.000 2.446 229 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.217 229 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.217 229 G C 1.756 176.701 174.900 0.076 0.000 1.168 229 G CA 1.594 46.752 45.100 0.098 0.000 0.771 229 G HN 0.854 nan 8.290 nan 0.000 0.551 230 A N 0.953 123.808 122.820 0.058 0.000 1.972 230 A HA 0.310 4.630 4.320 -0.000 0.000 0.219 230 A C 2.759 180.369 177.584 0.044 0.000 1.169 230 A CA 2.088 54.146 52.037 0.035 0.000 0.635 230 A CB -0.599 18.414 19.000 0.023 0.000 0.810 230 A HN 0.783 nan 8.150 nan 0.000 0.446 231 A N -0.011 122.845 122.820 0.061 0.000 1.930 231 A HA -0.035 4.285 4.320 -0.000 0.000 0.217 231 A C 2.088 179.744 177.584 0.119 0.000 1.175 231 A CA 1.423 53.506 52.037 0.077 0.000 0.627 231 A CB -0.499 18.552 19.000 0.085 0.000 0.815 231 A HN 0.506 nan 8.150 nan 0.000 0.443 232 I N -0.391 120.241 120.570 0.103 0.000 2.163 232 I HA -0.223 3.947 4.170 -0.000 0.000 0.240 232 I C 2.978 179.152 176.117 0.096 0.000 1.081 232 I CA 1.027 62.387 61.300 0.100 0.000 1.353 232 I CB -0.446 37.597 38.000 0.071 0.000 1.054 232 I HN 0.332 nan 8.210 nan 0.000 0.407 233 A N 0.077 122.938 122.820 0.068 0.000 1.978 233 A HA -0.176 4.144 4.320 -0.000 0.000 0.220 233 A C 2.337 179.944 177.584 0.038 0.000 1.170 233 A CA 2.208 54.269 52.037 0.041 0.000 0.636 233 A CB -0.527 18.478 19.000 0.008 0.000 0.810 233 A HN 0.430 nan 8.150 nan 0.000 0.448 234 S N -1.218 114.509 115.700 0.044 0.000 2.535 234 S HA 0.072 4.542 4.470 -0.000 0.000 0.214 234 S C 0.653 175.272 174.600 0.031 0.000 0.980 234 S CA -0.541 57.673 58.200 0.022 0.000 0.907 234 S CB -0.227 62.972 63.200 -0.001 0.000 0.790 234 S HN 0.677 nan 8.310 nan 0.000 0.510 235 H N 2.932 122.001 119.070 -0.002 0.000 3.034 235 H HA 0.049 4.605 4.556 -0.000 0.000 0.324 235 H C 0.947 176.272 175.328 -0.005 0.000 1.015 235 H CA 0.655 56.702 56.048 -0.002 0.000 1.429 235 H CB 0.566 30.328 29.762 0.000 0.000 1.429 235 H HN 0.167 nan 8.280 nan 0.000 0.585 236 E N 3.164 123.362 120.200 -0.003 0.000 2.347 236 E HA -0.129 4.221 4.350 -0.000 0.000 0.196 236 E C 0.696 177.403 176.600 0.178 0.000 1.008 236 E CA 0.839 57.278 56.400 0.064 0.000 0.852 236 E CB 0.225 29.908 29.700 -0.028 0.000 0.783 236 E HN 0.627 nan 8.360 nan 0.000 0.505 237 D N -0.551 120.108 120.400 0.433 0.000 2.431 237 D HA 0.041 4.681 4.640 -0.000 0.000 0.213 237 D C -0.622 175.697 176.300 0.031 0.000 1.130 237 D CA 0.006 54.120 54.000 0.190 0.000 0.834 237 D CB 0.746 41.650 40.800 0.174 0.000 0.985 237 D HN -0.206 nan 8.370 nan 0.000 0.504 238 V N 1.721 121.662 119.914 0.044 0.000 2.406 238 V HA 0.111 4.231 4.120 -0.000 0.000 0.272 238 V C 0.835 176.918 176.094 -0.018 0.000 1.043 238 V CA -0.341 61.935 62.300 -0.041 0.000 0.915 238 V CB 1.602 33.409 31.823 -0.026 0.000 0.988 238 V HN 0.115 nan 8.190 nan 0.000 0.466 239 D N 3.297 123.664 120.400 -0.054 0.000 2.234 239 D HA 0.014 4.654 4.640 -0.000 0.000 0.205 239 D C 0.754 177.029 176.300 -0.042 0.000 0.962 239 D CA 0.968 54.939 54.000 -0.048 0.000 0.855 239 D CB 0.743 41.494 40.800 -0.082 0.000 0.951 239 D HN 0.500 nan 8.370 nan 0.000 0.500 240 K N 0.224 120.600 120.400 -0.039 0.000 2.546 240 K HA 0.386 4.706 4.320 -0.000 0.000 0.264 240 K C -2.126 174.467 176.600 -0.011 0.000 0.937 240 K CA -0.552 55.711 56.287 -0.040 0.000 0.833 240 K CB 3.068 35.523 32.500 -0.075 0.000 1.378 240 K HN -0.241 nan 8.250 nan 0.000 0.432 241 V N 2.407 122.319 119.914 -0.005 0.000 2.525 241 V HA 0.706 4.826 4.120 -0.000 0.000 0.299 241 V C -1.219 174.906 176.094 0.051 0.000 1.034 241 V CA -0.439 61.883 62.300 0.037 0.000 0.863 241 V CB 1.517 33.367 31.823 0.046 0.000 0.999 241 V HN 0.877 nan 8.190 nan 0.000 0.423 242 A N 6.506 129.380 122.820 0.090 0.000 2.287 242 A HA 0.820 5.140 4.320 -0.000 0.000 0.317 242 A C -1.177 176.513 177.584 0.176 0.000 1.220 242 A CA -0.382 51.719 52.037 0.106 0.000 0.835 242 A CB 0.686 19.757 19.000 0.118 0.000 1.180 242 A HN 0.906 nan 8.150 nan 0.000 0.500 243 F N 2.119 122.088 119.950 0.032 0.000 2.508 243 F HA 0.730 5.257 4.527 -0.000 0.000 0.325 243 F C -0.245 175.583 175.800 0.047 0.000 1.090 243 F CA -0.079 57.944 58.000 0.037 0.000 0.945 243 F CB 2.366 41.383 39.000 0.029 0.000 1.156 243 F HN 0.389 nan 8.300 nan 0.000 0.463 244 T N 4.312 118.270 114.554 -0.993 0.000 2.965 244 T HA 0.714 5.064 4.350 -0.000 0.000 0.306 244 T C -0.219 173.870 174.700 -1.017 0.000 0.991 244 T CA -0.284 61.413 62.100 -0.671 0.000 1.001 244 T CB 0.972 69.678 68.868 -0.270 0.000 0.984 244 T HN 1.113 nan 8.240 nan 0.000 0.446 245 G N 2.041 110.450 108.800 -0.652 0.000 2.498 245 G HA2 0.478 4.438 3.960 -0.000 0.000 0.181 245 G HA3 0.478 4.438 3.960 -0.000 0.000 0.181 245 G C -0.621 174.382 174.900 0.171 0.000 1.169 245 G CA -0.213 44.714 45.100 -0.287 0.000 0.992 245 G HN 0.901 nan 8.290 nan 0.000 0.490 246 S N -0.239 115.654 115.700 0.321 0.000 2.576 246 S HA 0.438 4.908 4.470 -0.000 0.000 0.276 246 S C 1.249 176.058 174.600 0.348 0.000 1.339 246 S CA 0.974 59.372 58.200 0.330 0.000 1.039 246 S CB 1.371 64.737 63.200 0.277 0.000 0.902 246 S HN 0.737 nan 8.310 nan 0.000 0.516 247 T N 1.474 116.206 114.554 0.296 0.000 2.833 247 T HA -0.098 4.252 4.350 -0.000 0.000 0.269 247 T C 1.599 176.377 174.700 0.129 0.000 1.054 247 T CA 1.568 63.804 62.100 0.226 0.000 1.135 247 T CB -0.400 68.609 68.868 0.235 0.000 0.869 247 T HN 0.775 nan 8.240 nan 0.000 0.466 248 E N 0.375 120.654 120.200 0.132 0.000 2.023 248 E HA -0.134 4.216 4.350 -0.000 0.000 0.196 248 E C 2.066 178.673 176.600 0.011 0.000 1.003 248 E CA 1.078 57.522 56.400 0.073 0.000 0.809 248 E CB -0.060 29.698 29.700 0.096 0.000 0.755 248 E HN 0.310 nan 8.360 nan 0.000 0.449 249 I N 0.370 120.946 120.570 0.010 0.000 2.439 249 I HA -0.104 4.066 4.170 -0.000 0.000 0.251 249 I C 2.467 178.325 176.117 -0.431 0.000 1.139 249 I CA 1.074 62.281 61.300 -0.155 0.000 1.438 249 I CB -1.599 36.362 38.000 -0.065 0.000 1.085 249 I HN 0.146 nan 8.210 nan 0.000 0.427 250 G N 1.165 109.772 108.800 -0.322 0.000 2.450 250 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.220 250 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.220 250 G C 1.877 176.658 174.900 -0.199 0.000 1.130 250 G CA 0.366 45.272 45.100 -0.322 0.000 0.760 250 G HN 0.356 nan 8.290 nan 0.000 0.557 251 R N -0.235 120.192 120.500 -0.121 0.000 2.090 251 R HA 0.054 4.394 4.340 -0.000 0.000 0.228 251 R C 2.601 178.839 176.300 -0.103 0.000 1.110 251 R CA 0.922 56.972 56.100 -0.083 0.000 0.973 251 R CB -0.474 29.798 30.300 -0.047 0.000 0.869 251 R HN 0.292 nan 8.270 nan 0.000 0.440 252 V N 1.684 121.519 119.914 -0.132 0.000 2.343 252 V HA -0.243 3.877 4.120 -0.000 0.000 0.247 252 V C 2.335 178.347 176.094 -0.136 0.000 1.051 252 V CA 1.482 63.711 62.300 -0.119 0.000 1.036 252 V CB -0.460 31.291 31.823 -0.119 0.000 0.654 252 V HN 0.224 nan 8.190 nan 0.000 0.451 253 I N 0.136 120.573 120.570 -0.220 0.000 2.179 253 I HA -0.294 3.876 4.170 -0.000 0.000 0.242 253 I C 2.587 178.639 176.117 -0.109 0.000 1.088 253 I CA 2.084 63.267 61.300 -0.196 0.000 1.357 253 I CB -1.233 36.568 38.000 -0.332 0.000 1.051 253 I HN 0.437 nan 8.210 nan 0.000 0.409 254 Q N 0.702 120.442 119.800 -0.101 0.000 2.124 254 Q HA -0.137 4.203 4.340 -0.000 0.000 0.202 254 Q C 2.260 178.230 176.000 -0.050 0.000 0.977 254 Q CA 1.659 57.425 55.803 -0.061 0.000 0.850 254 Q CB 0.090 28.797 28.738 -0.052 0.000 0.901 254 Q HN 0.326 nan 8.270 nan 0.000 0.429 255 V N 0.620 120.501 119.914 -0.055 0.000 2.358 255 V HA -0.211 3.909 4.120 -0.000 0.000 0.246 255 V C 2.297 178.368 176.094 -0.038 0.000 1.047 255 V CA 1.621 63.895 62.300 -0.043 0.000 1.035 255 V CB -1.036 30.762 31.823 -0.043 0.000 0.658 255 V HN 0.534 nan 8.190 nan 0.000 0.452 256 A N -0.008 122.786 122.820 -0.043 0.000 1.972 256 A HA -0.092 4.228 4.320 -0.000 0.000 0.219 256 A C 2.365 179.935 177.584 -0.023 0.000 1.169 256 A CA 2.011 54.029 52.037 -0.032 0.000 0.635 256 A CB -0.583 18.396 19.000 -0.035 0.000 0.810 256 A HN 0.563 nan 8.150 nan 0.000 0.446 257 A N -0.720 122.084 122.820 -0.026 0.000 1.929 257 A HA 0.238 4.558 4.320 -0.000 0.000 0.216 257 A C 2.318 179.892 177.584 -0.018 0.000 1.176 257 A CA 1.580 53.607 52.037 -0.017 0.000 0.628 257 A CB -1.081 17.907 19.000 -0.020 0.000 0.816 257 A HN 0.674 nan 8.150 nan 0.000 0.444 258 G N -1.074 107.713 108.800 -0.023 0.000 2.464 258 G HA2 0.004 3.964 3.960 -0.000 0.000 0.217 258 G HA3 0.004 3.964 3.960 -0.000 0.000 0.217 258 G C 1.572 176.460 174.900 -0.019 0.000 1.138 258 G CA 1.115 46.202 45.100 -0.022 0.000 0.793 258 G HN 0.469 nan 8.290 nan 0.000 0.539 259 S N 0.282 115.969 115.700 -0.020 0.000 2.496 259 S HA 0.015 4.485 4.470 -0.000 0.000 0.224 259 S C 2.380 176.969 174.600 -0.017 0.000 0.996 259 S CA 0.974 59.163 58.200 -0.019 0.000 0.927 259 S CB 0.079 63.266 63.200 -0.021 0.000 0.774 259 S HN 0.616 nan 8.310 nan 0.000 0.524 260 S N 3.182 118.873 115.700 -0.014 0.000 2.836 260 S HA 0.099 4.569 4.470 -0.000 0.000 0.164 260 S C 0.953 175.549 174.600 -0.007 0.000 0.714 260 S CA 0.231 58.424 58.200 -0.012 0.000 0.906 260 S CB -0.519 62.678 63.200 -0.006 0.000 0.702 260 S HN 0.483 nan 8.310 nan 0.000 0.571 261 N N 1.278 119.978 118.700 0.000 0.000 2.235 261 N HA 0.275 5.015 4.740 -0.000 0.000 0.231 261 N C 0.078 175.587 175.510 -0.002 0.000 1.177 261 N CA -0.142 52.910 53.050 0.003 0.000 0.874 261 N CB -0.444 38.052 38.487 0.015 0.000 1.097 261 N HN 0.613 nan 8.380 nan 0.000 0.518 262 L N -0.314 120.905 121.223 -0.008 0.000 3.717 262 L HA -0.300 4.040 4.340 -0.000 0.000 0.414 262 L C 0.147 177.008 176.870 -0.015 0.000 1.228 262 L CA 0.670 55.502 54.840 -0.013 0.000 0.918 262 L CB -1.750 40.301 42.059 -0.014 0.000 1.865 262 L HN 0.472 nan 8.230 nan 0.000 0.922 263 K N 0.529 120.922 120.400 -0.011 0.000 2.336 263 K HA 0.392 4.712 4.320 -0.000 0.000 0.262 263 K C 0.398 176.982 176.600 -0.027 0.000 0.992 263 K CA -0.597 55.680 56.287 -0.016 0.000 0.927 263 K CB 0.622 33.118 32.500 -0.007 0.000 0.956 263 K HN 0.119 nan 8.250 nan 0.000 0.495 264 R N 0.867 121.343 120.500 -0.039 0.000 2.594 264 R HA 0.214 4.554 4.340 -0.000 0.000 0.272 264 R C -0.617 175.652 176.300 -0.051 0.000 1.074 264 R CA -0.529 55.538 56.100 -0.054 0.000 1.105 264 R CB 0.916 31.169 30.300 -0.079 0.000 1.008 264 R HN 0.424 nan 8.270 nan 0.000 0.472 265 V N 1.656 121.541 119.914 -0.048 0.000 2.623 265 V HA 0.310 4.430 4.120 -0.000 0.000 0.304 265 V C -0.152 175.924 176.094 -0.031 0.000 1.054 265 V CA -0.856 61.426 62.300 -0.030 0.000 0.882 265 V CB 2.088 33.901 31.823 -0.018 0.000 1.002 265 V HN 0.966 nan 8.190 nan 0.000 0.424 266 T N 2.985 117.530 114.554 -0.015 0.000 2.824 266 T HA 0.848 5.198 4.350 -0.000 0.000 0.282 266 T C -0.949 173.791 174.700 0.066 0.000 0.993 266 T CA -0.645 61.450 62.100 -0.008 0.000 0.967 266 T CB 1.471 70.305 68.868 -0.056 0.000 0.960 266 T HN 0.374 nan 8.240 nan 0.000 0.441 267 L N 2.340 123.609 121.223 0.077 0.000 2.362 267 L HA 0.594 4.934 4.340 -0.000 0.000 0.275 267 L C 0.099 177.039 176.870 0.117 0.000 0.998 267 L CA -0.815 54.121 54.840 0.160 0.000 0.820 267 L CB 2.059 44.214 42.059 0.159 0.000 1.270 267 L HN 0.644 nan 8.230 nan 0.000 0.415 268 E N 4.859 125.136 120.200 0.129 0.000 2.546 268 E HA 0.368 4.718 4.350 -0.000 0.000 0.227 268 E C -0.896 175.766 176.600 0.103 0.000 1.009 268 E CA -0.323 56.121 56.400 0.074 0.000 0.813 268 E CB 0.599 30.338 29.700 0.066 0.000 1.269 268 E HN 0.501 nan 8.360 nan 0.000 0.432 269 L N 0.509 121.821 121.223 0.149 0.000 2.469 269 L HA 0.520 4.860 4.340 -0.000 0.000 0.253 269 L C 1.499 178.479 176.870 0.183 0.000 1.143 269 L CA -0.758 54.208 54.840 0.210 0.000 0.804 269 L CB 0.374 42.589 42.059 0.260 0.000 1.214 269 L HN 0.305 nan 8.230 nan 0.000 0.476 270 G N -1.066 107.852 108.800 0.195 0.000 2.468 270 G HA2 0.535 4.495 3.960 -0.000 0.000 0.264 270 G HA3 0.535 4.495 3.960 -0.000 0.000 0.264 270 G C -0.217 174.530 174.900 -0.256 0.000 1.460 270 G CA 0.239 45.357 45.100 0.029 0.000 1.060 270 G HN 0.917 nan 8.290 nan 0.000 0.543 271 G N -2.338 106.043 108.800 -0.698 0.000 2.495 271 G HA2 0.460 4.420 3.960 -0.000 0.000 0.294 271 G HA3 0.460 4.420 3.960 -0.000 0.000 0.294 271 G C -1.415 173.041 174.900 -0.740 0.000 1.397 271 G CA -0.466 44.135 45.100 -0.833 0.000 0.790 271 G HN 0.552 nan 8.290 nan 0.000 0.486 272 K N 0.694 120.896 120.400 -0.330 0.000 3.206 272 K HA 0.479 4.799 4.320 -0.000 0.000 0.180 272 K C 0.131 176.734 176.600 0.005 0.000 1.088 272 K CA -0.367 55.831 56.287 -0.149 0.000 0.872 272 K CB 0.092 32.596 32.500 0.006 0.000 0.976 272 K HN 0.430 nan 8.250 nan 0.000 0.564 273 S N 3.743 119.456 115.700 0.022 0.000 2.596 273 S HA 0.071 4.541 4.470 -0.000 0.000 0.298 273 S C -2.290 172.419 174.600 0.182 0.000 1.255 273 S CA -0.478 57.800 58.200 0.130 0.000 1.083 273 S CB 0.133 63.469 63.200 0.226 0.000 0.837 273 S HN 0.378 nan 8.310 nan 0.000 0.499 274 P HA 0.172 nan 4.420 nan 0.000 0.286 274 P C -1.021 176.476 177.300 0.328 0.000 1.269 274 P CA -0.572 62.715 63.100 0.311 0.000 0.787 274 P CB 0.478 32.360 31.700 0.304 0.000 0.920 275 N N 4.002 122.898 118.700 0.328 0.000 2.558 275 N HA 0.283 5.023 4.740 -0.000 0.000 0.242 275 N C -0.522 175.175 175.510 0.312 0.000 0.979 275 N CA -0.621 52.634 53.050 0.342 0.000 0.931 275 N CB 0.369 38.967 38.487 0.184 0.000 1.122 275 N HN 0.320 nan 8.380 nan 0.000 0.508 276 I N 4.665 125.414 120.570 0.299 0.000 2.337 276 I HA 0.203 4.373 4.170 -0.000 0.000 0.291 276 I C -0.072 176.227 176.117 0.305 0.000 1.046 276 I CA -0.504 60.936 61.300 0.233 0.000 1.324 276 I CB 0.729 38.751 38.000 0.036 0.000 1.409 276 I HN 0.375 nan 8.210 nan 0.000 0.494 277 I N 7.194 127.924 120.570 0.267 0.000 2.330 277 I HA 0.309 4.479 4.170 -0.000 0.000 0.286 277 I C 0.256 176.521 176.117 0.247 0.000 1.025 277 I CA -0.553 60.850 61.300 0.171 0.000 1.197 277 I CB 0.861 38.729 38.000 -0.220 0.000 1.358 277 I HN 0.478 nan 8.210 nan 0.000 0.467 278 M N 3.713 123.478 119.600 0.276 0.000 2.202 278 M HA 0.140 4.620 4.480 -0.000 0.000 0.316 278 M C 1.735 178.109 176.300 0.123 0.000 1.138 278 M CA 0.005 55.446 55.300 0.235 0.000 1.151 278 M CB 0.721 33.457 32.600 0.227 0.000 1.422 278 M HN 0.687 nan 8.290 nan 0.000 0.471 279 S N 0.534 116.273 115.700 0.066 0.000 2.399 279 S HA -0.162 4.308 4.470 -0.000 0.000 0.231 279 S C 0.842 175.486 174.600 0.074 0.000 1.022 279 S CA 1.477 59.701 58.200 0.040 0.000 0.983 279 S CB -0.494 62.711 63.200 0.008 0.000 0.803 279 S HN 0.742 nan 8.310 nan 0.000 0.480 280 D N 1.883 122.339 120.400 0.093 0.000 2.328 280 D HA 0.372 5.012 4.640 -0.000 0.000 0.226 280 D C 0.628 177.008 176.300 0.132 0.000 1.066 280 D CA 0.259 54.317 54.000 0.098 0.000 0.861 280 D CB -0.414 40.436 40.800 0.084 0.000 0.912 280 D HN 0.559 nan 8.370 nan 0.000 0.521 281 A N 0.507 123.428 122.820 0.168 0.000 2.406 281 A HA 0.178 4.498 4.320 -0.000 0.000 0.243 281 A C 0.216 177.936 177.584 0.226 0.000 1.082 281 A CA -0.358 51.822 52.037 0.238 0.000 0.786 281 A CB 0.225 19.407 19.000 0.303 0.000 1.029 281 A HN 0.096 nan 8.150 nan 0.000 0.495 282 D N 1.766 122.337 120.400 0.285 0.000 2.342 282 D HA 0.128 4.768 4.640 -0.000 0.000 0.260 282 D C 1.063 177.526 176.300 0.271 0.000 1.278 282 D CA -0.199 53.956 54.000 0.257 0.000 0.910 282 D CB 0.402 41.376 40.800 0.289 0.000 1.079 282 D HN 0.430 nan 8.370 nan 0.000 0.496 283 M N 3.838 123.556 119.600 0.197 0.000 2.110 283 M HA -0.227 4.253 4.480 -0.000 0.000 0.257 283 M C 1.188 177.582 176.300 0.157 0.000 1.071 283 M CA 1.800 57.206 55.300 0.177 0.000 1.096 283 M CB -0.308 32.369 32.600 0.129 0.000 1.300 283 M HN 0.370 nan 8.290 nan 0.000 0.411 284 D N -1.178 119.314 120.400 0.153 0.000 2.106 284 D HA -0.272 4.368 4.640 -0.000 0.000 0.191 284 D C 1.912 178.341 176.300 0.216 0.000 0.997 284 D CA 1.723 55.809 54.000 0.142 0.000 0.834 284 D CB -0.715 40.170 40.800 0.141 0.000 0.956 284 D HN 0.674 nan 8.370 nan 0.000 0.448 285 W N 1.602 122.946 121.300 0.073 0.000 2.381 285 W HA -0.131 4.529 4.660 -0.000 0.000 0.301 285 W C 2.300 178.876 176.519 0.095 0.000 1.205 285 W CA 1.314 58.727 57.345 0.113 0.000 1.285 285 W CB 0.037 29.604 29.460 0.178 0.000 1.133 285 W HN -0.060 nan 8.180 nan 0.000 0.521 286 A N 0.294 123.164 122.820 0.083 0.000 1.902 286 A HA -0.192 4.128 4.320 -0.000 0.000 0.217 286 A C 1.984 179.440 177.584 -0.214 0.000 1.181 286 A CA 2.203 54.038 52.037 -0.336 0.000 0.623 286 A CB -1.142 17.813 19.000 -0.075 0.000 0.818 286 A HN 0.154 nan 8.150 nan 0.000 0.443 287 V N -0.135 119.743 119.914 -0.059 0.000 2.307 287 V HA -0.219 3.901 4.120 -0.000 0.000 0.245 287 V C 2.593 178.580 176.094 -0.178 0.000 1.045 287 V CA 2.367 64.531 62.300 -0.226 0.000 1.024 287 V CB -0.710 30.933 31.823 -0.301 0.000 0.651 287 V HN 0.688 nan 8.190 nan 0.000 0.449 288 E N 0.019 120.128 120.200 -0.152 0.000 2.077 288 E HA -0.204 4.146 4.350 -0.000 0.000 0.193 288 E C 2.287 178.805 176.600 -0.138 0.000 0.989 288 E CA 1.352 57.678 56.400 -0.123 0.000 0.800 288 E CB -0.212 29.425 29.700 -0.106 0.000 0.746 288 E HN 0.493 nan 8.360 nan 0.000 0.452 289 Q N -0.439 119.145 119.800 -0.359 0.000 2.123 289 Q HA 0.034 4.374 4.340 -0.000 0.000 0.199 289 Q C 2.120 178.050 176.000 -0.117 0.000 0.966 289 Q CA 1.300 56.926 55.803 -0.294 0.000 0.845 289 Q CB -0.358 28.122 28.738 -0.429 0.000 0.907 289 Q HN 0.377 nan 8.270 nan 0.000 0.439 290 A N 0.177 122.882 122.820 -0.191 0.000 1.930 290 A HA -0.221 4.099 4.320 -0.000 0.000 0.217 290 A C 1.916 179.501 177.584 0.002 0.000 1.175 290 A CA 1.838 53.813 52.037 -0.103 0.000 0.627 290 A CB -0.689 18.369 19.000 0.096 0.000 0.815 290 A HN 0.443 nan 8.150 nan 0.000 0.443 291 H N -1.441 117.634 119.070 0.009 0.000 2.293 291 H HA -0.136 4.420 4.556 -0.000 0.000 0.300 291 H C 1.699 177.189 175.328 0.271 0.000 1.082 291 H CA 2.166 58.332 56.048 0.197 0.000 1.308 291 H CB -0.456 29.363 29.762 0.096 0.000 1.375 291 H HN 0.463 nan 8.280 nan 0.000 0.495 292 F N 0.784 120.755 119.950 0.035 0.000 2.134 292 F HA -0.154 4.373 4.527 -0.000 0.000 0.299 292 F C 2.532 178.295 175.800 -0.062 0.000 1.097 292 F CA 1.525 59.521 58.000 -0.006 0.000 1.264 292 F CB -0.692 38.270 39.000 -0.063 0.000 1.001 292 F HN 0.291 nan 8.300 nan 0.000 0.479 293 A N 0.266 122.954 122.820 -0.220 0.000 1.948 293 A HA -0.222 4.098 4.320 -0.000 0.000 0.220 293 A C 2.154 179.452 177.584 -0.476 0.000 1.177 293 A CA 2.228 53.900 52.037 -0.607 0.000 0.636 293 A CB -0.998 17.371 19.000 -1.052 0.000 0.815 293 A HN 0.624 nan 8.150 nan 0.000 0.449 294 L N -3.271 117.717 121.223 -0.392 0.000 2.349 294 L HA 0.295 4.635 4.340 -0.000 0.000 0.200 294 L C 2.005 178.609 176.870 -0.444 0.000 1.064 294 L CA 0.591 55.167 54.840 -0.440 0.000 0.821 294 L CB 0.029 41.732 42.059 -0.592 0.000 1.027 294 L HN 0.283 nan 8.230 nan 0.000 0.476 295 F N -0.419 119.384 119.950 -0.244 0.000 2.502 295 F HA -0.055 4.472 4.527 -0.000 0.000 0.298 295 F C 1.025 176.752 175.800 -0.123 0.000 1.111 295 F CA 0.205 58.074 58.000 -0.219 0.000 1.445 295 F CB -0.405 38.346 39.000 -0.416 0.000 1.081 295 F HN -0.049 nan 8.300 nan 0.000 0.558 296 F N 2.183 122.018 119.950 -0.193 0.000 2.623 296 F HA -0.073 4.454 4.527 -0.000 0.000 0.383 296 F C 1.196 176.958 175.800 -0.063 0.000 1.077 296 F CA -0.079 57.796 58.000 -0.209 0.000 1.268 296 F CB 0.071 38.718 39.000 -0.588 0.000 1.053 296 F HN 0.103 nan 8.300 nan 0.000 0.571 297 N N 3.618 121.866 118.700 -0.752 0.000 2.725 297 N HA -0.302 4.438 4.740 -0.000 0.000 0.251 297 N C -0.077 175.256 175.510 -0.295 0.000 1.031 297 N CA 1.354 54.010 53.050 -0.657 0.000 0.720 297 N CB -0.964 36.988 38.487 -0.891 0.000 0.930 297 N HN 0.777 nan 8.380 nan 0.000 0.543 298 Q N -2.137 117.578 119.800 -0.141 0.000 2.480 298 Q HA -0.181 4.159 4.340 -0.000 0.000 0.265 298 Q C 1.277 177.281 176.000 0.006 0.000 1.072 298 Q CA 2.199 57.985 55.803 -0.028 0.000 1.018 298 Q CB -1.833 26.875 28.738 -0.052 0.000 1.433 298 Q HN 1.174 nan 8.270 nan 0.000 0.513 299 G N -1.101 107.685 108.800 -0.023 0.000 2.189 299 G HA2 -0.408 3.551 3.960 -0.000 0.000 0.267 299 G HA3 -0.408 3.551 3.960 -0.000 0.000 0.267 299 G C 0.166 175.119 174.900 0.088 0.000 0.975 299 G CA 0.483 45.571 45.100 -0.021 0.000 0.644 299 G HN 0.480 nan 8.290 nan 0.000 0.537 300 Q N -0.029 119.813 119.800 0.069 0.000 3.184 300 Q HA 0.478 4.818 4.340 -0.000 0.000 0.288 300 Q C -0.142 175.893 176.000 0.058 0.000 1.412 300 Q CA -0.071 55.801 55.803 0.115 0.000 0.991 300 Q CB 0.399 29.169 28.738 0.053 0.000 1.688 300 Q HN 0.328 nan 8.270 nan 0.000 0.554 301 C N 0.116 119.592 119.300 0.294 0.000 2.431 301 C HA 0.244 4.704 4.460 -0.000 0.000 0.321 301 C C 1.926 177.189 174.990 0.454 0.000 1.202 301 C CA -0.946 58.303 59.018 0.385 0.000 1.398 301 C CB 0.300 28.268 27.740 0.380 0.000 2.047 301 C HN 0.987 nan 8.230 nan 0.000 0.465 302 C N 1.183 120.762 119.300 0.465 0.000 2.411 302 C HA -0.082 4.378 4.460 -0.000 0.000 0.279 302 C C 1.822 176.982 174.990 0.284 0.000 1.288 302 C CA 1.425 60.689 59.018 0.411 0.000 1.764 302 C CB -2.320 25.643 27.740 0.370 0.000 1.974 302 C HN 0.959 nan 8.230 nan 0.000 0.498 303 C N 1.201 120.753 119.300 0.420 0.000 2.470 303 C HA 0.768 5.228 4.460 -0.000 0.000 0.311 303 C C 1.141 176.403 174.990 0.453 0.000 1.387 303 C CA -0.859 58.427 59.018 0.447 0.000 1.783 303 C CB -2.455 25.706 27.740 0.701 0.000 2.416 303 C HN 0.736 nan 8.230 nan 0.000 0.558 304 A N 0.899 123.872 122.820 0.255 0.000 2.511 304 A HA 0.498 4.818 4.320 -0.000 0.000 0.242 304 A C 1.131 178.757 177.584 0.070 0.000 1.069 304 A CA 0.699 52.818 52.037 0.137 0.000 0.763 304 A CB -0.019 18.975 19.000 -0.011 0.000 1.001 304 A HN 1.178 nan 8.150 nan 0.000 0.498 305 G N 1.632 110.375 108.800 -0.095 0.000 3.008 305 G HA2 0.311 4.271 3.960 -0.000 0.000 0.272 305 G HA3 0.311 4.271 3.960 -0.000 0.000 0.272 305 G C 0.922 175.728 174.900 -0.157 0.000 0.764 305 G CA 0.379 45.392 45.100 -0.145 0.000 2.029 305 G HN 1.104 nan 8.290 nan 0.000 0.587 306 S N 0.562 116.191 115.700 -0.120 0.000 2.607 306 S HA 0.104 4.573 4.470 -0.000 0.000 0.224 306 S C 1.044 175.565 174.600 -0.133 0.000 0.969 306 S CA 0.009 58.114 58.200 -0.159 0.000 0.927 306 S CB 0.356 63.439 63.200 -0.195 0.000 0.772 306 S HN 0.429 nan 8.310 nan 0.000 0.533 307 R N 1.727 122.169 120.500 -0.098 0.000 2.576 307 R HA 0.256 4.596 4.340 -0.000 0.000 0.283 307 R C -1.259 174.940 176.300 -0.167 0.000 1.493 307 R CA -0.092 55.899 56.100 -0.182 0.000 1.170 307 R CB 1.273 31.492 30.300 -0.135 0.000 1.189 307 R HN 0.146 nan 8.270 nan 0.000 0.542 308 T N 3.677 118.134 114.554 -0.161 0.000 2.863 308 T HA 0.249 4.599 4.350 -0.000 0.000 0.299 308 T C -0.057 174.594 174.700 -0.081 0.000 0.973 308 T CA -0.042 62.026 62.100 -0.052 0.000 0.994 308 T CB -0.206 68.676 68.868 0.023 0.000 0.961 308 T HN 0.159 nan 8.240 nan 0.000 0.552 309 F N 2.582 122.571 119.950 0.066 0.000 2.445 309 F HA 0.419 4.946 4.527 -0.000 0.000 0.359 309 F C 0.416 176.389 175.800 0.288 0.000 1.101 309 F CA -0.651 57.456 58.000 0.179 0.000 1.177 309 F CB 0.756 39.752 39.000 -0.006 0.000 1.110 309 F HN 0.188 nan 8.300 nan 0.000 0.522 310 V N 3.704 123.895 119.914 0.461 0.000 2.540 310 V HA 0.275 4.395 4.120 -0.000 0.000 0.302 310 V C -0.186 175.849 176.094 -0.098 0.000 1.035 310 V CA -1.178 61.190 62.300 0.113 0.000 0.873 310 V CB 1.635 33.306 31.823 -0.253 0.000 0.992 310 V HN 0.656 nan 8.190 nan 0.000 0.428 311 Q N 2.169 121.668 119.800 -0.503 0.000 2.364 311 Q HA 0.060 4.400 4.340 -0.000 0.000 0.267 311 Q C 1.426 177.240 176.000 -0.310 0.000 0.999 311 Q CA 0.298 55.570 55.803 -0.885 0.000 0.886 311 Q CB 0.914 29.262 28.738 -0.650 0.000 1.243 311 Q HN 0.933 nan 8.270 nan 0.000 0.415 312 E N 2.556 122.590 120.200 -0.277 0.000 2.114 312 E HA -0.337 4.013 4.350 -0.000 0.000 0.199 312 E C 0.411 177.002 176.600 -0.016 0.000 1.008 312 E CA 1.850 58.189 56.400 -0.102 0.000 0.810 312 E CB -0.091 29.536 29.700 -0.122 0.000 0.739 312 E HN 0.656 nan 8.360 nan 0.000 0.456 313 D N 1.028 121.401 120.400 -0.045 0.000 2.221 313 D HA -0.129 4.511 4.640 -0.000 0.000 0.204 313 D C 2.027 178.350 176.300 0.038 0.000 0.982 313 D CA 1.624 55.623 54.000 -0.002 0.000 0.857 313 D CB -0.099 40.693 40.800 -0.014 0.000 0.934 313 D HN 0.647 nan 8.370 nan 0.000 0.475 314 I N -3.596 117.001 120.570 0.044 0.000 4.154 314 I HA 0.173 4.343 4.170 -0.000 0.000 0.334 314 I C 1.781 177.980 176.117 0.137 0.000 1.371 314 I CA -0.563 60.787 61.300 0.083 0.000 1.110 314 I CB -0.089 37.952 38.000 0.069 0.000 1.085 314 I HN -0.243 nan 8.210 nan 0.000 0.398 315 Y N 3.030 123.340 120.300 0.016 0.000 2.053 315 Y HA -0.318 4.232 4.550 -0.000 0.000 0.277 315 Y C 2.160 178.132 175.900 0.121 0.000 1.159 315 Y CA 2.406 60.541 58.100 0.058 0.000 1.125 315 Y CB -0.153 38.315 38.460 0.013 0.000 0.969 315 Y HN 0.226 nan 8.280 nan 0.000 0.492 316 D N 0.013 120.586 120.400 0.289 0.000 2.116 316 D HA -0.247 4.393 4.640 -0.000 0.000 0.193 316 D C 2.075 178.414 176.300 0.064 0.000 0.998 316 D CA 1.882 55.986 54.000 0.174 0.000 0.836 316 D CB -0.518 40.381 40.800 0.164 0.000 0.951 316 D HN 0.621 nan 8.370 nan 0.000 0.449 317 E N -0.442 119.805 120.200 0.078 0.000 2.077 317 E HA -0.173 4.177 4.350 -0.000 0.000 0.193 317 E C 2.092 178.712 176.600 0.032 0.000 0.989 317 E CA 0.460 56.890 56.400 0.050 0.000 0.800 317 E CB -0.174 29.566 29.700 0.066 0.000 0.746 317 E HN 0.190 nan 8.360 nan 0.000 0.452 318 F N 0.788 120.687 119.950 -0.084 0.000 2.075 318 F HA -0.220 4.307 4.527 -0.000 0.000 0.297 318 F C 2.105 177.811 175.800 -0.156 0.000 1.113 318 F CA 1.458 59.390 58.000 -0.115 0.000 1.218 318 F CB -0.397 38.527 39.000 -0.126 0.000 0.984 318 F HN -0.128 nan 8.300 nan 0.000 0.472 319 V N 0.555 120.417 119.914 -0.087 0.000 2.332 319 V HA -0.337 3.783 4.120 -0.000 0.000 0.248 319 V C 2.393 178.384 176.094 -0.171 0.000 1.055 319 V CA 2.322 64.511 62.300 -0.185 0.000 1.038 319 V CB -0.805 30.855 31.823 -0.272 0.000 0.651 319 V HN 0.456 nan 8.190 nan 0.000 0.450 320 E N 0.104 120.230 120.200 -0.124 0.000 2.038 320 E HA -0.250 4.100 4.350 -0.000 0.000 0.195 320 E C 2.509 179.024 176.600 -0.143 0.000 1.000 320 E CA 1.479 57.820 56.400 -0.098 0.000 0.803 320 E CB -0.053 29.613 29.700 -0.057 0.000 0.750 320 E HN 0.535 nan 8.360 nan 0.000 0.448 321 R N -0.096 120.288 120.500 -0.193 0.000 2.092 321 R HA -0.045 4.295 4.340 -0.000 0.000 0.231 321 R C 2.601 178.727 176.300 -0.291 0.000 1.119 321 R CA 1.342 57.306 56.100 -0.227 0.000 0.970 321 R CB -0.132 30.024 30.300 -0.241 0.000 0.864 321 R HN 0.065 nan 8.270 nan 0.000 0.440 322 S N 0.366 115.831 115.700 -0.391 0.000 2.383 322 S HA -0.078 4.392 4.470 -0.000 0.000 0.227 322 S C 2.095 176.593 174.600 -0.170 0.000 1.026 322 S CA 1.049 59.050 58.200 -0.331 0.000 0.981 322 S CB -0.051 62.900 63.200 -0.416 0.000 0.818 322 S HN 0.068 nan 8.310 nan 0.000 0.472 323 V N 2.007 121.833 119.914 -0.147 0.000 2.358 323 V HA -0.157 3.963 4.120 -0.000 0.000 0.246 323 V C 2.647 178.669 176.094 -0.121 0.000 1.047 323 V CA 1.612 63.853 62.300 -0.100 0.000 1.035 323 V CB -1.196 30.579 31.823 -0.081 0.000 0.658 323 V HN 0.528 nan 8.190 nan 0.000 0.452 324 A N 0.374 123.111 122.820 -0.138 0.000 1.902 324 A HA -0.257 4.063 4.320 -0.000 0.000 0.217 324 A C 2.315 179.791 177.584 -0.180 0.000 1.181 324 A CA 2.182 54.138 52.037 -0.136 0.000 0.623 324 A CB -0.514 18.410 19.000 -0.125 0.000 0.818 324 A HN 0.451 nan 8.150 nan 0.000 0.443 325 R N 0.081 120.433 120.500 -0.248 0.000 2.092 325 R HA 0.030 4.370 4.340 -0.000 0.000 0.231 325 R C 2.124 178.171 176.300 -0.421 0.000 1.119 325 R CA 1.791 57.656 56.100 -0.391 0.000 0.970 325 R CB -0.807 29.165 30.300 -0.547 0.000 0.864 325 R HN 0.391 nan 8.270 nan 0.000 0.440 326 A N 0.662 123.311 122.820 -0.284 0.000 1.930 326 A HA -0.133 4.187 4.320 -0.000 0.000 0.217 326 A C 1.884 179.352 177.584 -0.193 0.000 1.175 326 A CA 1.606 53.494 52.037 -0.249 0.000 0.627 326 A CB -0.349 18.566 19.000 -0.143 0.000 0.815 326 A HN 0.375 nan 8.150 nan 0.000 0.443 327 K N 0.443 120.756 120.400 -0.145 0.000 2.217 327 K HA -0.071 4.249 4.320 -0.000 0.000 0.202 327 K C 2.000 178.539 176.600 -0.102 0.000 1.051 327 K CA 1.398 57.622 56.287 -0.105 0.000 0.952 327 K CB -0.125 32.324 32.500 -0.085 0.000 0.736 327 K HN 0.633 nan 8.250 nan 0.000 0.453 328 S N 0.757 116.380 115.700 -0.128 0.000 2.558 328 S HA -0.011 4.459 4.470 -0.000 0.000 0.217 328 S C 0.860 175.403 174.600 -0.095 0.000 0.975 328 S CA -0.272 57.864 58.200 -0.107 0.000 0.912 328 S CB -0.102 63.027 63.200 -0.118 0.000 0.776 328 S HN 0.135 nan 8.310 nan 0.000 0.526 329 R N 2.136 122.569 120.500 -0.111 0.000 2.399 329 R HA 0.237 4.577 4.340 -0.000 0.000 0.324 329 R C -0.934 175.349 176.300 -0.028 0.000 1.030 329 R CA -0.185 55.878 56.100 -0.061 0.000 0.984 329 R CB 0.141 30.389 30.300 -0.088 0.000 0.961 329 R HN 0.159 nan 8.270 nan 0.000 0.433 330 V N 6.340 126.254 119.914 -0.001 0.000 2.446 330 V HA 0.052 4.172 4.120 -0.000 0.000 0.276 330 V C 0.225 176.341 176.094 0.037 0.000 1.030 330 V CA -0.075 62.231 62.300 0.010 0.000 1.033 330 V CB 0.997 32.829 31.823 0.016 0.000 0.993 330 V HN 0.454 nan 8.190 nan 0.000 0.477 331 V N 4.835 124.770 119.914 0.036 0.000 2.483 331 V HA 1.016 5.136 4.120 -0.000 0.000 0.295 331 V C 0.647 176.761 176.094 0.032 0.000 1.035 331 V CA 0.524 62.877 62.300 0.088 0.000 0.896 331 V CB 1.081 32.973 31.823 0.115 0.000 0.986 331 V HN 1.152 nan 8.190 nan 0.000 0.447 332 G N 3.318 112.177 108.800 0.098 0.000 2.360 332 G HA2 0.136 4.096 3.960 -0.000 0.000 0.276 332 G HA3 0.136 4.096 3.960 -0.000 0.000 0.276 332 G C -1.041 173.944 174.900 0.141 0.000 1.256 332 G CA -0.835 44.233 45.100 -0.054 0.000 0.890 332 G HN 0.667 nan 8.290 nan 0.000 0.486 333 N N 2.153 120.885 118.700 0.053 0.000 2.414 333 N HA 0.216 4.956 4.740 -0.000 0.000 0.268 333 N C -0.434 175.156 175.510 0.133 0.000 1.286 333 N CA -0.928 52.206 53.050 0.139 0.000 0.896 333 N CB 1.346 39.894 38.487 0.102 0.000 1.093 333 N HN 0.153 nan 8.380 nan 0.000 0.480 334 P HA -0.171 nan 4.420 nan 0.000 0.219 334 P C 0.764 178.013 177.300 -0.085 0.000 1.146 334 P CA 1.360 64.427 63.100 -0.055 0.000 0.808 334 P CB -0.051 31.523 31.700 -0.211 0.000 0.779 335 F N -0.270 119.720 119.950 0.066 0.000 2.748 335 F HA 0.057 4.584 4.527 -0.000 0.000 0.299 335 F C 1.358 177.170 175.800 0.020 0.000 1.154 335 F CA 0.116 58.130 58.000 0.024 0.000 1.446 335 F CB -0.198 38.769 39.000 -0.054 0.000 1.112 335 F HN -0.115 nan 8.300 nan 0.000 0.584 336 D N 0.143 120.651 120.400 0.180 0.000 2.308 336 D HA 0.006 4.646 4.640 -0.000 0.000 0.251 336 D C 1.227 177.593 176.300 0.110 0.000 1.127 336 D CA 0.238 54.307 54.000 0.115 0.000 0.876 336 D CB 1.514 42.361 40.800 0.077 0.000 1.176 336 D HN 0.126 nan 8.370 nan 0.000 0.446 337 S N 3.624 119.383 115.700 0.099 0.000 2.419 337 S HA -0.169 4.301 4.470 -0.000 0.000 0.233 337 S C 1.354 176.001 174.600 0.077 0.000 1.016 337 S CA 0.839 59.098 58.200 0.098 0.000 0.974 337 S CB -0.032 63.216 63.200 0.081 0.000 0.786 337 S HN 0.519 nan 8.310 nan 0.000 0.492 338 K N 0.989 121.425 120.400 0.060 0.000 2.365 338 K HA 0.093 4.413 4.320 -0.000 0.000 0.197 338 K C 0.145 176.777 176.600 0.054 0.000 1.042 338 K CA 0.468 56.784 56.287 0.048 0.000 0.987 338 K CB -0.263 32.255 32.500 0.030 0.000 0.779 338 K HN 0.272 nan 8.250 nan 0.000 0.484 339 T N 2.281 116.874 114.554 0.064 0.000 2.853 339 T HA 0.018 4.368 4.350 -0.000 0.000 0.298 339 T C 0.844 175.591 174.700 0.079 0.000 0.978 339 T CA 0.350 62.492 62.100 0.070 0.000 1.152 339 T CB 0.943 69.860 68.868 0.081 0.000 0.914 339 T HN 0.199 nan 8.240 nan 0.000 0.539 340 E N 1.819 122.067 120.200 0.080 0.000 2.251 340 E HA 0.054 4.404 4.350 -0.000 0.000 0.194 340 E C 0.815 177.471 176.600 0.094 0.000 0.964 340 E CA 0.205 56.664 56.400 0.098 0.000 0.868 340 E CB 0.558 30.319 29.700 0.101 0.000 0.828 340 E HN 0.554 nan 8.360 nan 0.000 0.481 341 Q N 0.307 120.160 119.800 0.088 0.000 2.304 341 Q HA 0.431 4.771 4.340 -0.000 0.000 0.270 341 Q C -0.606 175.462 176.000 0.112 0.000 1.035 341 Q CA -0.605 55.248 55.803 0.083 0.000 0.781 341 Q CB 1.853 30.649 28.738 0.096 0.000 1.261 341 Q HN 0.135 nan 8.270 nan 0.000 0.444 342 G N 3.050 111.871 108.800 0.034 0.000 2.543 342 G HA2 0.596 4.556 3.960 -0.000 0.000 0.267 342 G HA3 0.596 4.556 3.960 -0.000 0.000 0.267 342 G C -2.532 172.229 174.900 -0.231 0.000 1.406 342 G CA -0.949 44.148 45.100 -0.004 0.000 1.048 342 G HN 0.555 nan 8.290 nan 0.000 0.548 343 P HA 0.239 nan 4.420 nan 0.000 0.279 343 P C -0.908 176.186 177.300 -0.344 0.000 1.276 343 P CA -0.431 62.151 63.100 -0.864 0.000 0.801 343 P CB 1.084 32.012 31.700 -1.286 0.000 1.127 344 Q N -0.094 119.592 119.800 -0.190 0.000 2.382 344 Q HA 0.071 4.411 4.340 -0.000 0.000 0.229 344 Q C 1.402 177.282 176.000 -0.199 0.000 1.006 344 Q CA -0.454 55.281 55.803 -0.114 0.000 0.916 344 Q CB 0.322 29.060 28.738 -0.001 0.000 1.235 344 Q HN 0.218 nan 8.270 nan 0.000 0.512 345 V N 0.681 120.390 119.914 -0.341 0.000 2.278 345 V HA -0.239 3.881 4.120 -0.000 0.000 0.251 345 V C 0.470 176.301 176.094 -0.438 0.000 1.062 345 V CA 2.881 64.889 62.300 -0.488 0.000 1.038 345 V CB -0.034 31.137 31.823 -1.086 0.000 0.646 345 V HN 1.012 nan 8.190 nan 0.000 0.447 346 D N -3.253 116.797 120.400 -0.583 0.000 2.759 346 D HA 0.127 4.767 4.640 -0.000 0.000 0.321 346 D C 0.759 176.366 176.300 -1.155 0.000 1.267 346 D CA -0.020 53.538 54.000 -0.737 0.000 0.933 346 D CB 0.824 41.317 40.800 -0.510 0.000 1.431 346 D HN 0.088 nan 8.370 nan 0.000 0.504 347 E N -0.486 118.939 120.200 -1.293 0.000 2.077 347 E HA -0.156 4.194 4.350 -0.000 0.000 0.193 347 E C 1.239 177.670 176.600 -0.281 0.000 0.989 347 E CA 1.782 57.669 56.400 -0.853 0.000 0.800 347 E CB -0.074 29.405 29.700 -0.367 0.000 0.746 347 E HN 0.528 nan 8.360 nan 0.000 0.452 348 T N 1.250 115.654 114.554 -0.251 0.000 2.684 348 T HA -0.181 4.169 4.350 -0.000 0.000 0.267 348 T C 1.818 176.468 174.700 -0.084 0.000 1.036 348 T CA 1.270 63.295 62.100 -0.126 0.000 1.148 348 T CB -0.163 68.633 68.868 -0.120 0.000 0.863 348 T HN 0.161 nan 8.240 nan 0.000 0.436 349 Q N -0.126 119.582 119.800 -0.153 0.000 2.119 349 Q HA 0.028 4.368 4.340 -0.000 0.000 0.201 349 Q C 2.068 178.079 176.000 0.018 0.000 0.972 349 Q CA 0.881 56.642 55.803 -0.070 0.000 0.847 349 Q CB -0.584 28.045 28.738 -0.182 0.000 0.903 349 Q HN 0.546 nan 8.270 nan 0.000 0.433 350 F N 2.001 121.835 119.950 -0.193 0.000 2.095 350 F HA -0.237 4.290 4.527 -0.000 0.000 0.298 350 F C 1.975 177.769 175.800 -0.010 0.000 1.104 350 F CA 1.647 59.591 58.000 -0.093 0.000 1.232 350 F CB 0.008 38.925 39.000 -0.138 0.000 0.987 350 F HN -0.038 nan 8.300 nan 0.000 0.475 351 K N 0.013 120.387 120.400 -0.043 0.000 2.031 351 K HA -0.175 4.145 4.320 -0.000 0.000 0.205 351 K C 2.219 178.789 176.600 -0.049 0.000 1.049 351 K CA 1.370 57.594 56.287 -0.104 0.000 0.939 351 K CB -0.316 32.177 32.500 -0.012 0.000 0.717 351 K HN 0.175 nan 8.250 nan 0.000 0.438 352 K N 1.239 121.656 120.400 0.028 0.000 2.074 352 K HA -0.155 4.165 4.320 -0.000 0.000 0.209 352 K C 1.994 178.733 176.600 0.231 0.000 1.048 352 K CA 1.341 57.706 56.287 0.130 0.000 0.926 352 K CB -0.069 32.538 32.500 0.177 0.000 0.713 352 K HN 0.089 nan 8.250 nan 0.000 0.444 353 I N 0.834 121.484 120.570 0.134 0.000 2.252 353 I HA -0.277 3.893 4.170 -0.000 0.000 0.245 353 I C 2.126 178.299 176.117 0.092 0.000 1.102 353 I CA 0.921 62.303 61.300 0.137 0.000 1.385 353 I CB -0.186 37.856 38.000 0.071 0.000 1.064 353 I HN 0.151 nan 8.210 nan 0.000 0.414 354 L N 0.540 121.731 121.223 -0.054 0.000 2.127 354 L HA -0.153 4.187 4.340 -0.000 0.000 0.211 354 L C 2.654 179.516 176.870 -0.013 0.000 1.089 354 L CA 1.509 56.297 54.840 -0.086 0.000 0.757 354 L CB -1.103 40.810 42.059 -0.243 0.000 0.899 354 L HN 0.333 nan 8.230 nan 0.000 0.434 355 G N -1.109 107.685 108.800 -0.011 0.000 2.402 355 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.216 355 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.216 355 G C 1.335 176.192 174.900 -0.071 0.000 1.162 355 G CA 0.487 45.552 45.100 -0.058 0.000 0.777 355 G HN 0.266 nan 8.290 nan 0.000 0.539 356 Y N 0.603 120.895 120.300 -0.013 0.000 2.242 356 Y HA 0.031 4.581 4.550 -0.000 0.000 0.291 356 Y C 2.734 178.626 175.900 -0.014 0.000 1.137 356 Y CA 0.755 58.841 58.100 -0.023 0.000 1.181 356 Y CB -0.075 38.374 38.460 -0.019 0.000 0.989 356 Y HN 0.125 nan 8.280 nan 0.000 0.527 357 I N -0.224 120.468 120.570 0.203 0.000 2.179 357 I HA -0.344 3.826 4.170 -0.000 0.000 0.242 357 I C 2.467 178.716 176.117 0.220 0.000 1.088 357 I CA 1.429 62.897 61.300 0.279 0.000 1.357 357 I CB -0.447 37.691 38.000 0.230 0.000 1.051 357 I HN 0.346 nan 8.210 nan 0.000 0.409 358 N N 0.506 119.267 118.700 0.101 0.000 2.084 358 N HA -0.160 4.580 4.740 -0.000 0.000 0.190 358 N C 1.747 177.268 175.510 0.020 0.000 1.030 358 N CA 1.979 55.064 53.050 0.058 0.000 0.849 358 N CB 0.046 38.539 38.487 0.010 0.000 1.012 358 N HN 0.275 nan 8.380 nan 0.000 0.423 359 T N -0.228 114.304 114.554 -0.036 0.000 2.803 359 T HA -0.083 4.267 4.350 -0.000 0.000 0.269 359 T C 1.712 176.355 174.700 -0.095 0.000 1.052 359 T CA 1.245 63.296 62.100 -0.081 0.000 1.136 359 T CB -0.562 68.215 68.868 -0.152 0.000 0.864 359 T HN 0.415 nan 8.240 nan 0.000 0.467 360 G N 1.545 110.254 108.800 -0.151 0.000 2.404 360 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.215 360 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.215 360 G C 1.611 176.433 174.900 -0.131 0.000 1.174 360 G CA 0.618 45.472 45.100 -0.409 0.000 0.780 360 G HN 0.419 nan 8.290 nan 0.000 0.537 361 K N 0.159 120.633 120.400 0.123 0.000 2.057 361 K HA -0.038 4.282 4.320 -0.000 0.000 0.207 361 K C 2.695 179.343 176.600 0.081 0.000 1.049 361 K CA 1.191 57.594 56.287 0.193 0.000 0.931 361 K CB -0.143 32.472 32.500 0.193 0.000 0.714 361 K HN 0.312 nan 8.250 nan 0.000 0.440 362 Q N 0.613 120.434 119.800 0.035 0.000 2.167 362 Q HA -0.161 4.179 4.340 -0.000 0.000 0.202 362 Q C 1.312 177.313 176.000 0.001 0.000 0.970 362 Q CA 1.351 57.161 55.803 0.013 0.000 0.855 362 Q CB 0.111 28.846 28.738 -0.004 0.000 0.911 362 Q HN 0.516 nan 8.270 nan 0.000 0.438 363 E N -1.072 119.117 120.200 -0.017 0.000 2.465 363 E HA 0.147 4.497 4.350 -0.000 0.000 0.191 363 E C 0.868 177.466 176.600 -0.004 0.000 1.053 363 E CA 0.495 56.883 56.400 -0.020 0.000 0.869 363 E CB 0.562 30.239 29.700 -0.040 0.000 0.977 363 E HN 0.317 nan 8.360 nan 0.000 0.483 364 G N 0.924 109.735 108.800 0.019 0.000 2.184 364 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.206 364 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.206 364 G C 0.412 175.353 174.900 0.069 0.000 0.995 364 G CA -0.250 44.873 45.100 0.040 0.000 0.651 364 G HN 0.599 nan 8.290 nan 0.000 0.511 365 A N 0.457 123.319 122.820 0.070 0.000 2.477 365 A HA 0.571 4.891 4.320 -0.000 0.000 0.246 365 A C 0.615 178.384 177.584 0.307 0.000 1.078 365 A CA 0.657 52.787 52.037 0.155 0.000 0.770 365 A CB 0.340 19.344 19.000 0.007 0.000 1.011 365 A HN 0.479 nan 8.150 nan 0.000 0.494 366 K N 2.674 123.237 120.400 0.271 0.000 2.292 366 K HA 0.228 4.548 4.320 -0.000 0.000 0.290 366 K C -0.587 176.103 176.600 0.149 0.000 1.083 366 K CA -0.444 55.960 56.287 0.194 0.000 0.918 366 K CB 0.043 32.627 32.500 0.140 0.000 1.089 366 K HN 0.599 nan 8.250 nan 0.000 0.473 367 L N 6.534 127.783 121.223 0.043 0.000 2.530 367 L HA 0.045 4.385 4.340 -0.000 0.000 0.273 367 L C 0.333 177.108 176.870 -0.159 0.000 1.141 367 L CA 0.599 55.282 54.840 -0.261 0.000 0.905 367 L CB 0.316 42.240 42.059 -0.225 0.000 1.202 367 L HN 0.761 nan 8.230 nan 0.000 0.473 368 L N 4.824 125.939 121.223 -0.179 0.000 2.416 368 L HA 0.195 4.535 4.340 -0.000 0.000 0.216 368 L C 0.505 177.317 176.870 -0.096 0.000 1.098 368 L CA 0.191 54.976 54.840 -0.092 0.000 0.840 368 L CB -0.251 41.777 42.059 -0.052 0.000 0.981 368 L HN 0.834 nan 8.230 nan 0.000 0.462 369 C N -3.224 115.993 119.300 -0.137 0.000 3.275 369 C HA 0.709 5.169 4.460 -0.000 0.000 0.345 369 C C 0.687 175.614 174.990 -0.106 0.000 1.257 369 C CA -0.699 58.260 59.018 -0.098 0.000 1.203 369 C CB 0.776 28.474 27.740 -0.069 0.000 1.492 369 C HN 0.618 nan 8.230 nan 0.000 0.484 370 G N 0.977 109.739 108.800 -0.063 0.000 2.566 370 G HA2 0.348 4.308 3.960 -0.000 0.000 0.280 370 G HA3 0.348 4.308 3.960 -0.000 0.000 0.280 370 G C 1.335 176.204 174.900 -0.052 0.000 1.225 370 G CA 2.376 47.454 45.100 -0.036 0.000 0.966 370 G HN 3.354 nan 8.290 nan 0.000 0.560 371 G N -2.210 106.574 108.800 -0.026 0.000 2.179 371 G HA2 0.445 4.405 3.960 -0.000 0.000 0.220 371 G HA3 0.445 4.405 3.960 -0.000 0.000 0.220 371 G C 1.368 176.281 174.900 0.022 0.000 0.990 371 G CA 0.957 46.049 45.100 -0.014 0.000 0.646 371 G HN 2.561 nan 8.290 nan 0.000 0.517 372 G N -0.963 107.855 108.800 0.030 0.000 2.921 372 G HA2 0.679 4.639 3.960 -0.000 0.000 0.291 372 G HA3 0.679 4.639 3.960 -0.000 0.000 0.291 372 G C -0.251 174.694 174.900 0.075 0.000 1.370 372 G CA -0.814 44.309 45.100 0.038 0.000 0.847 372 G HN 0.624 nan 8.290 nan 0.000 0.532 373 I N 1.118 121.748 120.570 0.101 0.000 2.648 373 I HA 0.224 4.394 4.170 -0.000 0.000 0.284 373 I C 1.449 177.666 176.117 0.166 0.000 1.153 373 I CA 0.032 61.454 61.300 0.203 0.000 1.426 373 I CB 1.613 39.770 38.000 0.261 0.000 1.381 373 I HN 0.550 nan 8.210 nan 0.000 0.571 374 A N 5.106 128.051 122.820 0.209 0.000 2.267 374 A HA 0.662 4.982 4.320 -0.000 0.000 0.213 374 A C 0.728 178.335 177.584 0.038 0.000 1.192 374 A CA 0.606 52.718 52.037 0.124 0.000 0.851 374 A CB 0.102 19.197 19.000 0.158 0.000 0.881 374 A HN 0.836 nan 8.150 nan 0.000 0.494 375 A N -0.900 121.961 122.820 0.068 0.000 2.599 375 A HA 0.517 4.837 4.320 -0.000 0.000 0.294 375 A C -0.590 177.005 177.584 0.019 0.000 1.055 375 A CA -0.222 51.786 52.037 -0.048 0.000 0.683 375 A CB 0.269 19.088 19.000 -0.301 0.000 1.278 375 A HN -0.040 nan 8.150 nan 0.000 0.412 376 D N 0.069 120.456 120.400 -0.021 0.000 2.183 376 D HA 0.005 4.645 4.640 -0.000 0.000 0.203 376 D C 0.751 177.032 176.300 -0.032 0.000 0.969 376 D CA 1.281 55.279 54.000 -0.004 0.000 0.842 376 D CB 0.136 40.926 40.800 -0.018 0.000 0.957 376 D HN 0.431 nan 8.370 nan 0.000 0.484 377 R N -0.088 120.374 120.500 -0.064 0.000 2.407 377 R HA 0.508 4.848 4.340 -0.000 0.000 0.303 377 R C 0.206 176.490 176.300 -0.028 0.000 0.981 377 R CA 0.314 56.364 56.100 -0.084 0.000 0.905 377 R CB 1.278 31.529 30.300 -0.082 0.000 1.099 377 R HN 0.138 nan 8.270 nan 0.000 0.459 378 G N 2.161 110.836 108.800 -0.208 0.000 2.795 378 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.664 378 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.664 378 G C -0.958 173.598 174.900 -0.572 0.000 1.381 378 G CA -0.416 44.476 45.100 -0.348 0.000 0.853 378 G HN 0.620 nan 8.290 nan 0.000 0.545 379 Y N -0.116 119.883 120.300 -0.500 0.000 2.880 379 Y HA 0.514 5.064 4.550 -0.000 0.000 0.386 379 Y C 0.714 176.375 175.900 -0.399 0.000 1.172 379 Y CA -0.716 56.878 58.100 -0.843 0.000 1.770 379 Y CB -0.102 37.943 38.460 -0.691 0.000 1.809 379 Y HN 0.335 nan 8.280 nan 0.000 0.472 380 F N 1.573 121.513 119.950 -0.016 0.000 2.396 380 F HA 0.482 5.009 4.527 -0.000 0.000 0.343 380 F C 0.244 176.230 175.800 0.311 0.000 1.104 380 F CA -0.935 57.145 58.000 0.134 0.000 1.161 380 F CB 0.682 39.709 39.000 0.045 0.000 1.146 380 F HN 0.032 nan 8.300 nan 0.000 0.522 381 I N 2.395 123.206 120.570 0.401 0.000 2.608 381 I HA 0.257 4.427 4.170 -0.000 0.000 0.295 381 I C -0.600 175.647 176.117 0.216 0.000 1.049 381 I CA -1.056 60.424 61.300 0.299 0.000 1.063 381 I CB 2.087 40.225 38.000 0.231 0.000 1.248 381 I HN 0.515 nan 8.210 nan 0.000 0.424 382 Q N 5.470 125.365 119.800 0.159 0.000 2.352 382 Q HA 0.206 4.546 4.340 -0.000 0.000 0.260 382 Q C -2.321 173.750 176.000 0.118 0.000 0.976 382 Q CA -1.577 54.292 55.803 0.111 0.000 0.881 382 Q CB 0.130 28.907 28.738 0.066 0.000 1.235 382 Q HN 0.250 nan 8.270 nan 0.000 0.419 383 P HA -0.030 nan 4.420 nan 0.000 0.264 383 P C -1.086 176.306 177.300 0.153 0.000 1.236 383 P CA 0.488 63.666 63.100 0.129 0.000 0.811 383 P CB 0.397 31.992 31.700 -0.176 0.000 0.840 384 T N 3.088 117.790 114.554 0.246 0.000 2.837 384 T HA 0.443 4.793 4.350 -0.000 0.000 0.285 384 T C -0.059 174.717 174.700 0.127 0.000 0.984 384 T CA -0.357 61.801 62.100 0.096 0.000 1.049 384 T CB 0.850 69.757 68.868 0.065 0.000 0.947 384 T HN -0.047 nan 8.240 nan 0.000 0.472 385 V N 3.678 123.563 119.914 -0.048 0.000 2.577 385 V HA 0.505 4.625 4.120 -0.000 0.000 0.303 385 V C -1.098 174.889 176.094 -0.179 0.000 1.042 385 V CA -0.910 61.392 62.300 0.003 0.000 0.872 385 V CB 1.463 33.322 31.823 0.060 0.000 0.998 385 V HN 0.821 nan 8.190 nan 0.000 0.423 386 F N 2.378 122.359 119.950 0.051 0.000 2.444 386 F HA 0.768 5.295 4.527 -0.000 0.000 0.342 386 F C 0.902 176.737 175.800 0.058 0.000 1.121 386 F CA -0.257 57.771 58.000 0.046 0.000 0.997 386 F CB 2.088 41.108 39.000 0.033 0.000 1.130 386 F HN 0.595 nan 8.300 nan 0.000 0.454 387 G N 0.844 109.794 108.800 0.249 0.000 2.461 387 G HA2 0.335 4.295 3.960 -0.000 0.000 0.329 387 G HA3 0.335 4.295 3.960 -0.000 0.000 0.329 387 G C -0.484 174.568 174.900 0.254 0.000 1.170 387 G CA -0.640 44.602 45.100 0.237 0.000 0.935 387 G HN 0.732 nan 8.290 nan 0.000 0.492 388 D N -0.972 119.612 120.400 0.308 0.000 2.701 388 D HA -0.166 4.474 4.640 -0.000 0.000 0.235 388 D C 0.682 177.052 176.300 0.116 0.000 1.155 388 D CA 0.662 54.769 54.000 0.179 0.000 0.649 388 D CB -1.124 39.747 40.800 0.117 0.000 1.050 388 D HN 0.184 nan 8.370 nan 0.000 0.425 389 V N 0.615 120.596 119.914 0.112 0.000 2.811 389 V HA 0.046 4.166 4.120 -0.000 0.000 0.302 389 V C 0.885 176.990 176.094 0.019 0.000 1.063 389 V CA 0.187 62.511 62.300 0.041 0.000 1.088 389 V CB 1.682 33.505 31.823 -0.000 0.000 0.982 389 V HN 0.071 nan 8.190 nan 0.000 0.485 390 Q N 1.583 121.387 119.800 0.006 0.000 2.345 390 Q HA 0.324 4.664 4.340 -0.000 0.000 0.268 390 Q C 0.448 176.458 176.000 0.018 0.000 1.054 390 Q CA -0.734 55.081 55.803 0.021 0.000 0.835 390 Q CB 1.754 30.506 28.738 0.023 0.000 1.339 390 Q HN 0.688 nan 8.270 nan 0.000 0.447 391 D N 1.330 121.760 120.400 0.050 0.000 2.190 391 D HA -0.143 4.497 4.640 -0.000 0.000 0.200 391 D C 1.468 177.792 176.300 0.040 0.000 0.992 391 D CA 1.692 55.730 54.000 0.063 0.000 0.854 391 D CB 0.020 40.879 40.800 0.099 0.000 0.936 391 D HN 0.829 nan 8.370 nan 0.000 0.462 392 G N 0.065 108.882 108.800 0.029 0.000 2.511 392 G HA2 -0.054 3.906 3.960 -0.000 0.000 0.217 392 G HA3 -0.054 3.906 3.960 -0.000 0.000 0.217 392 G C 0.851 175.756 174.900 0.007 0.000 1.133 392 G CA -0.112 44.999 45.100 0.019 0.000 0.792 392 G HN 0.177 nan 8.290 nan 0.000 0.539 393 M N 0.650 120.248 119.600 -0.004 0.000 2.250 393 M HA 0.122 4.602 4.480 -0.000 0.000 0.325 393 M C 1.801 178.092 176.300 -0.014 0.000 1.084 393 M CA 0.026 55.312 55.300 -0.024 0.000 1.161 393 M CB 0.697 33.265 32.600 -0.053 0.000 1.481 393 M HN -0.093 nan 8.290 nan 0.000 0.449 394 T N 2.088 116.634 114.554 -0.014 0.000 2.777 394 T HA -0.080 4.270 4.350 -0.000 0.000 0.266 394 T C 1.545 176.279 174.700 0.057 0.000 1.040 394 T CA 1.560 63.677 62.100 0.029 0.000 1.141 394 T CB -0.416 68.463 68.868 0.018 0.000 0.868 394 T HN 0.768 nan 8.240 nan 0.000 0.444 395 I N -0.377 120.189 120.570 -0.008 0.000 3.083 395 I HA 0.166 4.336 4.170 -0.000 0.000 0.273 395 I C 1.977 178.045 176.117 -0.081 0.000 1.297 395 I CA 0.806 62.077 61.300 -0.047 0.000 1.452 395 I CB -0.353 37.513 38.000 -0.223 0.000 1.078 395 I HN 0.081 nan 8.210 nan 0.000 0.484 396 A N 0.458 123.246 122.820 -0.053 0.000 2.390 396 A HA 0.287 4.607 4.320 -0.000 0.000 0.232 396 A C 1.956 179.540 177.584 0.000 0.000 1.233 396 A CA -0.140 51.867 52.037 -0.049 0.000 0.907 396 A CB 0.051 19.021 19.000 -0.050 0.000 0.967 396 A HN 0.387 nan 8.150 nan 0.000 0.512 397 K N -0.364 120.052 120.400 0.026 0.000 2.443 397 K HA 0.178 4.498 4.320 -0.000 0.000 0.200 397 K C -0.152 176.514 176.600 0.109 0.000 1.278 397 K CA 0.271 56.602 56.287 0.072 0.000 0.925 397 K CB 0.614 33.154 32.500 0.068 0.000 1.225 397 K HN 0.408 nan 8.250 nan 0.000 0.514 398 E N 1.490 121.744 120.200 0.088 0.000 2.231 398 E HA 0.081 4.431 4.350 -0.000 0.000 0.277 398 E C -0.953 175.552 176.600 -0.158 0.000 0.999 398 E CA -0.470 55.980 56.400 0.083 0.000 0.827 398 E CB 1.582 31.434 29.700 0.254 0.000 1.101 398 E HN -0.075 nan 8.360 nan 0.000 0.393 399 E N 2.951 123.011 120.200 -0.234 0.000 2.159 399 E HA 0.005 4.355 4.350 -0.000 0.000 0.272 399 E C 0.266 176.509 176.600 -0.594 0.000 1.138 399 E CA 0.312 56.409 56.400 -0.506 0.000 0.915 399 E CB 0.073 29.359 29.700 -0.691 0.000 1.028 399 E HN 0.511 nan 8.360 nan 0.000 0.423 400 I N 3.721 123.916 120.570 -0.624 0.000 2.233 400 I HA -0.132 4.038 4.170 -0.000 0.000 0.243 400 I C 0.671 176.676 176.117 -0.186 0.000 1.093 400 I CA 0.462 61.403 61.300 -0.598 0.000 1.380 400 I CB -0.146 37.604 38.000 -0.417 0.000 1.067 400 I HN 0.616 nan 8.210 nan 0.000 0.413 401 F N 0.787 120.635 119.950 -0.169 0.000 3.058 401 F HA -0.195 4.332 4.527 -0.000 0.000 0.295 401 F C 0.570 176.354 175.800 -0.027 0.000 0.875 401 F CA 0.037 57.996 58.000 -0.067 0.000 1.150 401 F CB -1.557 37.448 39.000 0.009 0.000 1.175 401 F HN 0.272 nan 8.300 nan 0.000 0.599 402 G N -0.516 108.330 108.800 0.077 0.000 2.708 402 G HA2 0.626 4.586 3.960 -0.000 0.000 0.289 402 G HA3 0.626 4.586 3.960 -0.000 0.000 0.289 402 G C -2.903 171.998 174.900 0.002 0.000 1.416 402 G CA -0.993 44.148 45.100 0.068 0.000 0.829 402 G HN -0.206 nan 8.290 nan 0.000 0.480 403 P HA 0.205 nan 4.420 nan 0.000 0.232 403 P C -0.530 176.822 177.300 0.087 0.000 1.738 403 P CA 0.029 63.190 63.100 0.102 0.000 0.948 403 P CB 0.083 31.977 31.700 0.324 0.000 1.943 404 V N 2.926 122.794 119.914 -0.076 0.000 2.380 404 V HA 0.325 4.445 4.120 -0.000 0.000 0.286 404 V C 0.334 176.370 176.094 -0.097 0.000 1.015 404 V CA -0.654 61.660 62.300 0.023 0.000 0.834 404 V CB 1.860 33.757 31.823 0.122 0.000 1.009 404 V HN 0.286 nan 8.190 nan 0.000 0.428 405 M N 4.118 123.672 119.600 -0.077 0.000 2.233 405 M HA 0.544 5.024 4.480 -0.000 0.000 0.355 405 M C -0.701 175.644 176.300 0.074 0.000 1.191 405 M CA -0.282 54.956 55.300 -0.103 0.000 1.101 405 M CB 1.284 33.832 32.600 -0.087 0.000 1.592 405 M HN 0.620 nan 8.290 nan 0.000 0.461 406 Q N 5.059 124.863 119.800 0.008 0.000 2.333 406 Q HA 0.567 4.907 4.340 -0.000 0.000 0.265 406 Q C -1.302 174.698 176.000 -0.000 0.000 0.989 406 Q CA 0.031 55.855 55.803 0.034 0.000 0.842 406 Q CB 1.785 30.490 28.738 -0.055 0.000 1.262 406 Q HN 0.692 nan 8.270 nan 0.000 0.451 407 I N 4.011 124.621 120.570 0.067 0.000 2.355 407 I HA 0.350 4.520 4.170 -0.000 0.000 0.288 407 I C -0.908 175.280 176.117 0.119 0.000 0.999 407 I CA -0.837 60.507 61.300 0.074 0.000 1.163 407 I CB 0.805 38.867 38.000 0.103 0.000 1.316 407 I HN 0.313 nan 8.210 nan 0.000 0.454 408 L N 6.536 127.771 121.223 0.021 0.000 2.334 408 L HA 0.523 4.863 4.340 -0.000 0.000 0.270 408 L C -0.021 177.036 176.870 0.312 0.000 1.018 408 L CA -0.429 54.450 54.840 0.065 0.000 0.811 408 L CB 1.300 43.193 42.059 -0.276 0.000 1.271 408 L HN 0.461 nan 8.230 nan 0.000 0.443 409 K N 1.575 122.135 120.400 0.266 0.000 2.207 409 K HA 0.698 5.018 4.320 -0.000 0.000 0.255 409 K C -1.500 175.292 176.600 0.320 0.000 0.941 409 K CA -0.479 55.931 56.287 0.205 0.000 0.825 409 K CB 1.363 33.706 32.500 -0.262 0.000 1.119 409 K HN 0.504 nan 8.250 nan 0.000 0.430 410 F N 0.858 120.892 119.950 0.140 0.000 2.662 410 F HA 0.461 4.988 4.527 -0.000 0.000 0.312 410 F C 0.095 175.936 175.800 0.069 0.000 1.113 410 F CA -0.928 57.143 58.000 0.119 0.000 0.951 410 F CB 1.670 40.766 39.000 0.160 0.000 1.344 410 F HN 0.519 nan 8.300 nan 0.000 0.462 411 K N -0.009 120.476 120.400 0.142 0.000 2.266 411 K HA 0.226 4.546 4.320 -0.000 0.000 0.209 411 K C 0.227 176.887 176.600 0.100 0.000 1.065 411 K CA 1.006 57.297 56.287 0.006 0.000 0.946 411 K CB 0.273 32.794 32.500 0.036 0.000 1.069 411 K HN 0.898 nan 8.250 nan 0.000 0.472 412 T N -1.752 112.945 114.554 0.238 0.000 2.952 412 T HA 0.261 4.611 4.350 -0.000 0.000 0.286 412 T C 1.143 176.029 174.700 0.311 0.000 1.024 412 T CA -0.797 61.433 62.100 0.216 0.000 1.029 412 T CB 1.521 70.458 68.868 0.114 0.000 1.094 412 T HN 0.182 nan 8.240 nan 0.000 0.515 413 I N 0.265 120.968 120.570 0.221 0.000 2.394 413 I HA -0.086 4.084 4.170 -0.000 0.000 0.251 413 I C 2.058 178.267 176.117 0.152 0.000 1.136 413 I CA 1.386 62.802 61.300 0.194 0.000 1.425 413 I CB -0.026 38.073 38.000 0.165 0.000 1.079 413 I HN 0.738 nan 8.210 nan 0.000 0.425 414 E N 0.583 120.861 120.200 0.130 0.000 2.150 414 E HA -0.252 4.098 4.350 -0.000 0.000 0.193 414 E C 1.942 178.572 176.600 0.050 0.000 0.985 414 E CA 1.093 57.568 56.400 0.123 0.000 0.814 414 E CB -0.169 29.581 29.700 0.083 0.000 0.752 414 E HN 0.518 nan 8.360 nan 0.000 0.466 415 E N 0.445 120.674 120.200 0.048 0.000 2.028 415 E HA -0.160 4.190 4.350 -0.000 0.000 0.191 415 E C 2.100 178.638 176.600 -0.103 0.000 0.988 415 E CA 1.052 57.464 56.400 0.019 0.000 0.799 415 E CB -0.028 29.733 29.700 0.101 0.000 0.755 415 E HN 0.160 nan 8.360 nan 0.000 0.447 416 V N 0.550 120.323 119.914 -0.234 0.000 2.392 416 V HA -0.213 3.907 4.120 -0.000 0.000 0.249 416 V C 2.342 178.121 176.094 -0.525 0.000 1.059 416 V CA 1.493 63.410 62.300 -0.638 0.000 1.051 416 V CB -0.060 31.009 31.823 -1.257 0.000 0.658 416 V HN 0.210 nan 8.190 nan 0.000 0.455 417 V N 0.708 120.446 119.914 -0.295 0.000 2.255 417 V HA -0.207 3.913 4.120 -0.000 0.000 0.247 417 V C 2.686 178.660 176.094 -0.201 0.000 1.051 417 V CA 2.358 64.519 62.300 -0.232 0.000 1.018 417 V CB -1.484 30.254 31.823 -0.143 0.000 0.641 417 V HN 0.637 nan 8.190 nan 0.000 0.445 418 G N -0.635 108.080 108.800 -0.141 0.000 2.422 418 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.218 418 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.218 418 G C 1.756 176.593 174.900 -0.105 0.000 1.146 418 G CA 0.686 45.728 45.100 -0.095 0.000 0.769 418 G HN 0.454 nan 8.290 nan 0.000 0.547 419 R N 0.348 120.749 120.500 -0.165 0.000 2.073 419 R HA 0.153 4.493 4.340 -0.000 0.000 0.229 419 R C 3.025 179.235 176.300 -0.149 0.000 1.120 419 R CA 0.989 57.016 56.100 -0.122 0.000 0.967 419 R CB -0.315 29.922 30.300 -0.105 0.000 0.862 419 R HN 0.324 nan 8.270 nan 0.000 0.436 420 A N 1.545 124.127 122.820 -0.397 0.000 1.933 420 A HA -0.155 4.165 4.320 -0.000 0.000 0.218 420 A C 1.654 179.186 177.584 -0.087 0.000 1.175 420 A CA 1.454 53.328 52.037 -0.272 0.000 0.628 420 A CB -0.352 18.405 19.000 -0.404 0.000 0.814 420 A HN 0.217 nan 8.150 nan 0.000 0.444 421 N N 0.223 118.858 118.700 -0.108 0.000 2.409 421 N HA -0.075 4.665 4.740 -0.000 0.000 0.179 421 N C 0.439 175.937 175.510 -0.020 0.000 1.032 421 N CA 0.541 53.556 53.050 -0.059 0.000 0.898 421 N CB -0.587 37.857 38.487 -0.072 0.000 0.971 421 N HN 0.476 nan 8.380 nan 0.000 0.441 422 N N 0.937 119.629 118.700 -0.012 0.000 2.605 422 N HA 0.048 4.788 4.740 -0.000 0.000 0.282 422 N C -1.323 174.209 175.510 0.036 0.000 1.206 422 N CA 0.128 53.184 53.050 0.010 0.000 1.074 422 N CB -0.139 38.358 38.487 0.017 0.000 1.434 422 N HN -0.095 nan 8.380 nan 0.000 0.506 423 S N 0.349 116.065 115.700 0.026 0.000 2.552 423 S HA 0.266 4.736 4.470 -0.000 0.000 0.272 423 S C 0.698 175.287 174.600 -0.018 0.000 1.150 423 S CA -0.617 57.607 58.200 0.040 0.000 0.849 423 S CB 0.357 63.621 63.200 0.107 0.000 1.113 423 S HN 0.409 nan 8.310 nan 0.000 0.458 424 T N 1.583 116.071 114.554 -0.111 0.000 3.055 424 T HA 0.160 4.510 4.350 -0.000 0.000 0.265 424 T C 0.349 174.868 174.700 -0.301 0.000 1.111 424 T CA 1.099 63.046 62.100 -0.255 0.000 1.118 424 T CB -0.379 68.232 68.868 -0.429 0.000 0.909 424 T HN 0.548 nan 8.240 nan 0.000 0.501 425 Y N 0.382 120.687 120.300 0.009 0.000 2.432 425 Y HA 0.595 5.145 4.550 -0.000 0.000 0.322 425 Y C 1.223 177.119 175.900 -0.007 0.000 1.246 425 Y CA -0.936 57.166 58.100 0.004 0.000 1.268 425 Y CB 1.427 39.885 38.460 -0.003 0.000 1.276 425 Y HN 0.027 nan 8.280 nan 0.000 0.499 426 G N 0.779 109.677 108.800 0.162 0.000 5.312 426 G HA2 0.106 4.066 3.960 -0.000 0.000 0.204 426 G HA3 0.106 4.066 3.960 -0.000 0.000 0.204 426 G C -0.197 174.646 174.900 -0.094 0.000 1.097 426 G CA -0.271 44.834 45.100 0.008 0.000 0.621 426 G HN 0.553 nan 8.290 nan 0.000 0.290 427 L N 0.532 121.725 121.223 -0.050 0.000 2.068 427 L HA 0.746 5.086 4.340 -0.000 0.000 0.204 427 L C 1.187 177.934 176.870 -0.205 0.000 1.076 427 L CA 2.248 57.008 54.840 -0.133 0.000 0.753 427 L CB 0.050 42.089 42.059 -0.034 0.000 0.910 427 L HN 0.482 nan 8.230 nan 0.000 0.439 428 A N -2.139 120.607 122.820 -0.124 0.000 2.568 428 A HA 0.902 5.222 4.320 -0.000 0.000 0.291 428 A C -1.484 176.030 177.584 -0.117 0.000 1.159 428 A CA -0.098 51.807 52.037 -0.221 0.000 0.679 428 A CB 0.877 19.776 19.000 -0.168 0.000 1.285 428 A HN 0.474 nan 8.150 nan 0.000 0.428 429 A N -1.364 121.360 122.820 -0.160 0.000 2.567 429 A HA 0.956 5.276 4.320 -0.000 0.000 0.291 429 A C -0.704 176.937 177.584 0.094 0.000 1.048 429 A CA 0.167 52.222 52.037 0.031 0.000 0.661 429 A CB 0.394 19.358 19.000 -0.060 0.000 1.288 429 A HN 2.672 nan 8.150 nan 0.000 0.424 430 A N -0.244 122.750 122.820 0.291 0.000 2.556 430 A HA 0.862 5.182 4.320 -0.000 0.000 0.294 430 A C -1.465 176.293 177.584 0.291 0.000 1.091 430 A CA -0.550 51.702 52.037 0.358 0.000 0.704 430 A CB 1.675 21.119 19.000 0.742 0.000 1.300 430 A HN 1.845 nan 8.150 nan 0.000 0.406 431 V N 0.805 120.839 119.914 0.199 0.000 2.668 431 V HA 0.533 4.653 4.120 -0.000 0.000 0.304 431 V C -1.687 174.469 176.094 0.104 0.000 1.071 431 V CA -0.240 62.172 62.300 0.187 0.000 0.894 431 V CB 1.602 33.476 31.823 0.085 0.000 1.008 431 V HN 0.720 nan 8.190 nan 0.000 0.425 432 F N 2.849 122.899 119.950 0.167 0.000 2.427 432 F HA 0.777 5.304 4.527 -0.000 0.000 0.348 432 F C 0.334 176.230 175.800 0.161 0.000 1.125 432 F CA -0.191 57.917 58.000 0.181 0.000 0.989 432 F CB 2.068 41.177 39.000 0.182 0.000 1.165 432 F HN 0.507 nan 8.300 nan 0.000 0.442 433 T N 2.036 116.732 114.554 0.237 0.000 2.830 433 T HA 0.296 4.646 4.350 -0.000 0.000 0.322 433 T C 0.048 174.831 174.700 0.138 0.000 1.501 433 T CA -0.663 61.549 62.100 0.186 0.000 1.036 433 T CB 1.556 70.514 68.868 0.151 0.000 1.379 433 T HN 0.648 nan 8.240 nan 0.000 0.493 434 K N 0.610 121.081 120.400 0.118 0.000 2.354 434 K HA 0.187 4.507 4.320 -0.000 0.000 0.194 434 K C -0.233 176.406 176.600 0.065 0.000 1.038 434 K CA -0.086 56.252 56.287 0.086 0.000 1.052 434 K CB 0.297 32.846 32.500 0.081 0.000 0.861 434 K HN 0.516 nan 8.250 nan 0.000 0.535 435 D N 0.952 121.394 120.400 0.070 0.000 2.312 435 D HA 0.018 4.658 4.640 -0.000 0.000 0.252 435 D C 0.861 177.194 176.300 0.054 0.000 1.150 435 D CA -0.266 53.768 54.000 0.057 0.000 0.870 435 D CB 1.108 41.943 40.800 0.057 0.000 1.153 435 D HN -0.170 nan 8.370 nan 0.000 0.457 436 L N 4.085 125.334 121.223 0.042 0.000 1.989 436 L HA -0.135 4.205 4.340 -0.000 0.000 0.211 436 L C 1.257 178.157 176.870 0.049 0.000 1.071 436 L CA 1.969 56.832 54.840 0.039 0.000 0.749 436 L CB -0.505 41.572 42.059 0.030 0.000 0.890 436 L HN 0.508 nan 8.230 nan 0.000 0.431 437 D N -0.410 120.018 120.400 0.046 0.000 2.144 437 D HA -0.176 4.464 4.640 -0.000 0.000 0.199 437 D C 2.186 178.541 176.300 0.091 0.000 0.984 437 D CA 1.288 55.321 54.000 0.055 0.000 0.834 437 D CB -0.072 40.743 40.800 0.025 0.000 0.955 437 D HN 0.421 nan 8.370 nan 0.000 0.465 438 K N 0.460 120.911 120.400 0.086 0.000 2.057 438 K HA 0.009 4.329 4.320 -0.000 0.000 0.206 438 K C 2.158 178.845 176.600 0.146 0.000 1.050 438 K CA 1.059 57.423 56.287 0.129 0.000 0.935 438 K CB -0.079 32.487 32.500 0.110 0.000 0.715 438 K HN 0.028 nan 8.250 nan 0.000 0.439 439 A N 2.093 124.971 122.820 0.098 0.000 1.883 439 A HA -0.201 4.119 4.320 -0.000 0.000 0.217 439 A C 1.850 179.467 177.584 0.055 0.000 1.186 439 A CA 1.723 53.801 52.037 0.068 0.000 0.624 439 A CB -0.503 18.525 19.000 0.046 0.000 0.822 439 A HN 0.226 nan 8.150 nan 0.000 0.444 440 N N -1.687 117.053 118.700 0.068 0.000 2.244 440 N HA -0.131 4.609 4.740 -0.000 0.000 0.183 440 N C 1.565 177.118 175.510 0.071 0.000 1.016 440 N CA 1.506 54.588 53.050 0.054 0.000 0.866 440 N CB -0.524 37.996 38.487 0.056 0.000 0.980 440 N HN 0.660 nan 8.380 nan 0.000 0.430 441 Y N 1.654 121.950 120.300 -0.006 0.000 2.145 441 Y HA -0.046 4.504 4.550 -0.000 0.000 0.286 441 Y C 2.180 178.067 175.900 -0.022 0.000 1.145 441 Y CA 1.340 59.434 58.100 -0.010 0.000 1.148 441 Y CB -0.488 37.970 38.460 -0.003 0.000 0.981 441 Y HN -0.056 nan 8.280 nan 0.000 0.507 442 L N -0.295 120.887 121.223 -0.068 0.000 2.027 442 L HA -0.196 4.144 4.340 -0.000 0.000 0.206 442 L C 2.744 179.513 176.870 -0.168 0.000 1.074 442 L CA 1.578 56.318 54.840 -0.167 0.000 0.745 442 L CB -0.894 41.148 42.059 -0.028 0.000 0.898 442 L HN 0.374 nan 8.230 nan 0.000 0.433 443 S N -0.919 114.719 115.700 -0.104 0.000 2.419 443 S HA -0.295 4.175 4.470 -0.000 0.000 0.235 443 S C 1.876 176.395 174.600 -0.135 0.000 1.019 443 S CA 1.478 59.610 58.200 -0.114 0.000 0.982 443 S CB -0.318 62.835 63.200 -0.079 0.000 0.789 443 S HN 0.528 nan 8.310 nan 0.000 0.490 444 Q N 0.712 120.427 119.800 -0.142 0.000 2.204 444 Q HA 0.202 4.541 4.340 -0.000 0.000 0.198 444 Q C 2.239 178.135 176.000 -0.173 0.000 0.946 444 Q CA 0.840 56.564 55.803 -0.132 0.000 0.859 444 Q CB -0.376 28.301 28.738 -0.103 0.000 0.946 444 Q HN 0.687 nan 8.270 nan 0.000 0.474 445 A N 0.847 123.497 122.820 -0.284 0.000 1.968 445 A HA 0.083 4.403 4.320 -0.000 0.000 0.217 445 A C 1.006 178.461 177.584 -0.214 0.000 1.169 445 A CA 0.152 52.007 52.037 -0.304 0.000 0.638 445 A CB -0.385 18.289 19.000 -0.544 0.000 0.812 445 A HN 0.361 nan 8.150 nan 0.000 0.446 446 L N 0.942 122.037 121.223 -0.213 0.000 2.513 446 L HA 0.025 4.365 4.340 -0.000 0.000 0.272 446 L C 0.120 176.878 176.870 -0.185 0.000 1.187 446 L CA -0.030 54.696 54.840 -0.190 0.000 0.895 446 L CB 0.401 42.346 42.059 -0.190 0.000 1.147 446 L HN 0.415 nan 8.230 nan 0.000 0.483 447 Q N 3.690 123.397 119.800 -0.155 0.000 2.835 447 Q HA 0.520 4.860 4.340 -0.000 0.000 0.235 447 Q C -0.463 175.293 176.000 -0.407 0.000 1.313 447 Q CA -0.274 55.449 55.803 -0.133 0.000 1.053 447 Q CB 0.934 29.706 28.738 0.057 0.000 1.443 447 Q HN 0.690 nan 8.270 nan 0.000 0.576 448 A N -0.144 122.213 122.820 -0.772 0.000 2.515 448 A HA 0.668 4.988 4.320 -0.000 0.000 0.298 448 A C 0.868 177.802 177.584 -1.082 0.000 1.059 448 A CA -0.458 51.100 52.037 -0.798 0.000 0.698 448 A CB 1.220 19.962 19.000 -0.430 0.000 1.289 448 A HN 0.567 nan 8.150 nan 0.000 0.404 449 G N 0.128 108.425 108.800 -0.839 0.000 2.448 449 G HA2 0.274 4.234 3.960 -0.000 0.000 0.219 449 G HA3 0.274 4.234 3.960 -0.000 0.000 0.219 449 G C 0.480 175.114 174.900 -0.444 0.000 1.127 449 G CA 1.666 46.445 45.100 -0.535 0.000 0.766 449 G HN 0.859 nan 8.290 nan 0.000 0.552 450 T N -0.298 113.948 114.554 -0.513 0.000 2.928 450 T HA 0.493 4.843 4.350 -0.000 0.000 0.296 450 T C -1.142 173.112 174.700 -0.745 0.000 1.000 450 T CA -0.427 61.301 62.100 -0.621 0.000 0.989 450 T CB 2.708 71.142 68.868 -0.724 0.000 1.005 450 T HN -0.105 nan 8.240 nan 0.000 0.442 451 V N 3.847 123.383 119.914 -0.630 0.000 2.407 451 V HA 0.443 4.563 4.120 -0.000 0.000 0.291 451 V C -0.692 175.158 176.094 -0.406 0.000 1.018 451 V CA -0.992 61.032 62.300 -0.461 0.000 0.842 451 V CB 1.189 32.846 31.823 -0.276 0.000 0.996 451 V HN 0.764 nan 8.190 nan 0.000 0.426 452 W N 3.490 124.668 121.300 -0.202 0.000 2.376 452 W HA 0.646 5.306 4.660 -0.000 0.000 0.322 452 W C -0.529 175.882 176.519 -0.180 0.000 1.160 452 W CA -0.728 56.490 57.345 -0.212 0.000 1.218 452 W CB 1.876 31.157 29.460 -0.298 0.000 1.205 452 W HN 0.255 nan 8.180 nan 0.000 0.559 453 V N 4.567 124.510 119.914 0.048 0.000 2.407 453 V HA 0.132 4.252 4.120 -0.000 0.000 0.291 453 V C 0.055 176.037 176.094 -0.187 0.000 1.018 453 V CA -0.952 61.300 62.300 -0.081 0.000 0.842 453 V CB 1.068 32.871 31.823 -0.034 0.000 0.996 453 V HN 0.670 nan 8.190 nan 0.000 0.426 454 N N 2.275 120.643 118.700 -0.552 0.000 2.747 454 N HA -0.170 4.570 4.740 -0.000 0.000 0.249 454 N C -0.327 175.058 175.510 -0.209 0.000 1.107 454 N CA 1.225 53.911 53.050 -0.607 0.000 0.707 454 N CB -1.154 37.309 38.487 -0.040 0.000 1.054 454 N HN 1.087 nan 8.380 nan 0.000 0.555 455 C N -4.384 114.693 119.300 -0.372 0.000 3.216 455 C HA 0.777 5.237 4.460 -0.000 0.000 0.346 455 C C -1.231 173.727 174.990 -0.054 0.000 1.384 455 C CA -1.395 57.612 59.018 -0.019 0.000 1.208 455 C CB 1.595 29.336 27.740 0.001 0.000 1.483 455 C HN 0.278 nan 8.230 nan 0.000 0.453 456 Y N -0.126 119.937 120.300 -0.394 0.000 2.592 456 Y HA 0.467 5.017 4.550 -0.000 0.000 0.334 456 Y C -0.333 174.901 175.900 -1.110 0.000 1.136 456 Y CA 0.401 58.036 58.100 -0.774 0.000 1.042 456 Y CB 1.354 39.718 38.460 -0.161 0.000 1.325 456 Y HN 1.033 nan 8.280 nan 0.000 0.457 457 D N 2.066 121.173 120.400 -2.156 0.000 2.708 457 D HA -0.134 4.506 4.640 -0.000 0.000 0.236 457 D C -0.993 174.783 176.300 -0.874 0.000 1.146 457 D CA 0.932 54.178 54.000 -1.256 0.000 0.662 457 D CB -0.903 39.742 40.800 -0.258 0.000 1.059 457 D HN 0.154 nan 8.370 nan 0.000 0.428 458 V N 1.583 120.816 119.914 -1.136 0.000 2.270 458 V HA 0.286 4.406 4.120 -0.000 0.000 0.263 458 V C 0.404 176.395 176.094 -0.172 0.000 1.066 458 V CA -0.394 61.662 62.300 -0.407 0.000 0.857 458 V CB -0.148 31.506 31.823 -0.282 0.000 1.099 458 V HN 0.001 nan 8.190 nan 0.000 0.476 459 F N 2.207 122.180 119.950 0.039 0.000 2.421 459 F HA 0.755 5.282 4.527 -0.000 0.000 0.337 459 F C 0.942 176.739 175.800 -0.005 0.000 1.105 459 F CA -0.454 57.562 58.000 0.027 0.000 1.049 459 F CB 1.781 40.777 39.000 -0.006 0.000 1.139 459 F HN 0.460 nan 8.300 nan 0.000 0.479 460 G N 0.519 109.394 108.800 0.126 0.000 2.452 460 G HA2 0.514 4.474 3.960 -0.000 0.000 0.324 460 G HA3 0.514 4.474 3.960 -0.000 0.000 0.324 460 G C 0.331 175.155 174.900 -0.127 0.000 1.214 460 G CA -0.506 44.597 45.100 0.005 0.000 0.947 460 G HN 0.876 nan 8.290 nan 0.000 0.478 461 A N 1.274 123.957 122.820 -0.228 0.000 2.070 461 A HA -0.079 4.241 4.320 -0.000 0.000 0.220 461 A C 2.183 179.168 177.584 -0.999 0.000 1.159 461 A CA 1.813 53.565 52.037 -0.476 0.000 0.656 461 A CB -0.125 18.638 19.000 -0.395 0.000 0.800 461 A HN 0.637 nan 8.150 nan 0.000 0.453 462 Q N -0.386 118.927 119.800 -0.812 0.000 2.389 462 Q HA 0.130 4.470 4.340 -0.000 0.000 0.204 462 Q C 0.114 176.041 176.000 -0.121 0.000 0.944 462 Q CA 0.549 56.012 55.803 -0.566 0.000 0.908 462 Q CB -0.393 28.257 28.738 -0.146 0.000 1.002 462 Q HN 0.383 nan 8.270 nan 0.000 0.493 463 S N 3.949 119.590 115.700 -0.098 0.000 2.462 463 S HA 0.415 4.885 4.470 -0.000 0.000 0.294 463 S C -2.417 172.192 174.600 0.017 0.000 1.144 463 S CA -1.214 56.991 58.200 0.008 0.000 1.088 463 S CB 1.514 64.722 63.200 0.014 0.000 1.009 463 S HN 0.155 nan 8.310 nan 0.000 0.484 464 P HA 0.192 nan 4.420 nan 0.000 0.269 464 P C -1.011 176.318 177.300 0.049 0.000 1.209 464 P CA -0.170 62.940 63.100 0.016 0.000 0.776 464 P CB 0.303 31.904 31.700 -0.164 0.000 0.876 465 F N 2.221 122.092 119.950 -0.132 0.000 2.579 465 F HA 0.659 5.186 4.527 -0.000 0.000 0.325 465 F C -0.348 175.412 175.800 -0.066 0.000 1.162 465 F CA 0.059 58.003 58.000 -0.094 0.000 0.946 465 F CB 1.712 40.677 39.000 -0.059 0.000 1.211 465 F HN 0.589 nan 8.300 nan 0.000 0.447 466 G N 2.230 110.634 108.800 -0.660 0.000 2.548 466 G HA2 0.571 4.531 3.960 -0.000 0.000 0.301 466 G HA3 0.571 4.531 3.960 -0.000 0.000 0.301 466 G C -1.560 173.079 174.900 -0.436 0.000 1.349 466 G CA -0.276 44.523 45.100 -0.501 0.000 0.792 466 G HN 0.987 nan 8.290 nan 0.000 0.481 467 G N -1.733 106.939 108.800 -0.213 0.000 2.630 467 G HA2 0.622 4.582 3.960 -0.000 0.000 0.296 467 G HA3 0.622 4.582 3.960 -0.000 0.000 0.296 467 G C -1.610 173.377 174.900 0.144 0.000 1.285 467 G CA -0.604 44.444 45.100 -0.086 0.000 0.958 467 G HN 0.380 nan 8.290 nan 0.000 0.479 468 Y N 0.399 120.637 120.300 -0.103 0.000 2.458 468 Y HA 0.483 5.033 4.550 -0.000 0.000 0.322 468 Y C 1.428 177.296 175.900 -0.053 0.000 1.259 468 Y CA -1.175 56.876 58.100 -0.082 0.000 1.302 468 Y CB 1.249 39.659 38.460 -0.083 0.000 1.314 468 Y HN 0.847 nan 8.280 nan 0.000 0.509 469 K N -0.520 119.933 120.400 0.088 0.000 1.867 469 K HA -0.320 4.000 4.320 -0.000 0.000 0.140 469 K C 0.552 177.154 176.600 0.004 0.000 1.408 469 K CA 1.858 58.157 56.287 0.019 0.000 0.461 469 K CB -1.081 31.431 32.500 0.019 0.000 0.594 469 K HN 0.640 nan 8.250 nan 0.000 0.888 470 M N 1.228 120.810 119.600 -0.031 0.000 2.654 470 M HA 0.022 4.502 4.480 -0.000 0.000 0.217 470 M C 0.636 176.968 176.300 0.054 0.000 1.183 470 M CA 0.465 55.741 55.300 -0.040 0.000 0.991 470 M CB 0.099 32.612 32.600 -0.145 0.000 1.749 470 M HN 0.310 nan 8.290 nan 0.000 0.475 471 S N 0.107 115.875 115.700 0.113 0.000 2.556 471 S HA 0.382 4.852 4.470 -0.000 0.000 0.216 471 S C 0.777 175.438 174.600 0.101 0.000 0.970 471 S CA 0.366 58.675 58.200 0.182 0.000 0.912 471 S CB 0.352 63.642 63.200 0.151 0.000 0.790 471 S HN 0.779 nan 8.310 nan 0.000 0.504 472 G N 1.162 110.005 108.800 0.071 0.000 2.408 472 G HA2 0.091 4.051 3.960 -0.000 0.000 0.682 472 G HA3 0.091 4.051 3.960 -0.000 0.000 0.682 472 G C -0.775 174.132 174.900 0.012 0.000 1.303 472 G CA -0.526 44.603 45.100 0.049 0.000 0.966 472 G HN 0.672 nan 8.290 nan 0.000 0.560 473 S N -0.960 114.740 115.700 -0.000 0.000 2.599 473 S HA 1.040 5.510 4.470 -0.000 0.000 0.287 473 S C 0.547 175.127 174.600 -0.033 0.000 1.105 473 S CA 0.412 58.596 58.200 -0.026 0.000 0.899 473 S CB 1.636 64.817 63.200 -0.031 0.000 1.100 473 S HN 2.984 nan 8.310 nan 0.000 0.482 474 G N 1.155 109.927 108.800 -0.047 0.000 2.787 474 G HA2 0.049 4.009 3.960 -0.000 0.000 0.685 474 G HA3 0.049 4.009 3.960 -0.000 0.000 0.685 474 G C -1.202 173.668 174.900 -0.051 0.000 1.437 474 G CA -0.950 44.122 45.100 -0.047 0.000 0.872 474 G HN 0.761 nan 8.290 nan 0.000 0.566 475 R N 0.364 120.844 120.500 -0.033 0.000 2.854 475 R HA 0.691 5.031 4.340 -0.000 0.000 0.271 475 R C -0.066 176.247 176.300 0.021 0.000 0.994 475 R CA -0.726 55.355 56.100 -0.031 0.000 0.945 475 R CB 1.807 32.081 30.300 -0.044 0.000 1.194 475 R HN 0.772 nan 8.270 nan 0.000 0.476 476 E N 1.193 121.406 120.200 0.022 0.000 2.336 476 E HA 0.557 4.907 4.350 -0.000 0.000 0.267 476 E C -0.503 176.093 176.600 -0.006 0.000 0.906 476 E CA -0.955 55.465 56.400 0.032 0.000 0.781 476 E CB 2.150 31.859 29.700 0.014 0.000 1.261 476 E HN 0.331 nan 8.360 nan 0.000 0.436 477 L N 0.148 121.384 121.223 0.022 0.000 0.585 477 L HA -0.262 4.078 4.340 -0.000 0.000 0.356 477 L C 0.563 177.503 176.870 0.116 0.000 0.995 477 L CA 0.897 55.742 54.840 0.009 0.000 1.223 477 L CB -1.141 40.742 42.059 -0.293 0.000 0.010 477 L HN 1.026 nan 8.230 nan 0.000 0.091 478 G N 0.663 109.499 108.800 0.060 0.000 2.750 478 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.228 478 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.228 478 G C 0.367 175.371 174.900 0.173 0.000 1.367 478 G CA 0.802 46.035 45.100 0.221 0.000 0.871 478 G HN 1.165 nan 8.290 nan 0.000 0.560 479 E N -0.989 119.233 120.200 0.037 0.000 2.204 479 E HA -0.095 4.255 4.350 -0.000 0.000 0.194 479 E C 2.043 178.350 176.600 -0.488 0.000 0.989 479 E CA 1.702 57.795 56.400 -0.512 0.000 0.824 479 E CB -0.146 29.303 29.700 -0.417 0.000 0.756 479 E HN 0.628 nan 8.360 nan 0.000 0.477 480 Y N -0.469 119.761 120.300 -0.117 0.000 2.352 480 Y HA -0.016 4.534 4.550 -0.000 0.000 0.292 480 Y C 2.412 178.260 175.900 -0.087 0.000 1.136 480 Y CA 0.961 59.010 58.100 -0.085 0.000 1.227 480 Y CB -0.485 37.956 38.460 -0.032 0.000 0.991 480 Y HN 0.149 nan 8.280 nan 0.000 0.545 481 G N -0.077 108.782 108.800 0.098 0.000 2.471 481 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.219 481 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.219 481 G C 1.524 176.454 174.900 0.050 0.000 1.125 481 G CA 0.685 45.854 45.100 0.115 0.000 0.775 481 G HN 0.376 nan 8.290 nan 0.000 0.548 482 L N -0.375 120.741 121.223 -0.177 0.000 2.179 482 L HA -0.026 4.314 4.340 -0.000 0.000 0.208 482 L C 3.007 179.747 176.870 -0.217 0.000 1.096 482 L CA 0.644 55.282 54.840 -0.336 0.000 0.779 482 L CB -0.434 41.024 42.059 -1.003 0.000 0.922 482 L HN 0.248 nan 8.230 nan 0.000 0.443 483 Q N 0.357 120.049 119.800 -0.179 0.000 2.135 483 Q HA -0.199 4.141 4.340 -0.000 0.000 0.204 483 Q C 2.450 178.421 176.000 -0.048 0.000 0.981 483 Q CA 1.686 57.470 55.803 -0.033 0.000 0.856 483 Q CB -0.297 28.441 28.738 -0.001 0.000 0.902 483 Q HN 0.565 nan 8.270 nan 0.000 0.425 484 A N -0.052 122.709 122.820 -0.099 0.000 2.015 484 A HA -0.136 4.184 4.320 -0.000 0.000 0.219 484 A C 0.933 178.286 177.584 -0.386 0.000 1.163 484 A CA 0.962 52.847 52.037 -0.254 0.000 0.646 484 A CB -0.342 18.444 19.000 -0.356 0.000 0.806 484 A HN 0.417 nan 8.150 nan 0.000 0.448 485 Y N -0.191 120.087 120.300 -0.037 0.000 2.625 485 Y HA 0.276 4.826 4.550 -0.000 0.000 0.285 485 Y C 0.314 176.229 175.900 0.025 0.000 1.168 485 Y CA 0.026 58.117 58.100 -0.015 0.000 1.250 485 Y CB 0.373 38.817 38.460 -0.027 0.000 1.130 485 Y HN 0.044 nan 8.280 nan 0.000 0.526 486 T N 0.394 115.005 114.554 0.095 0.000 2.893 486 T HA 0.390 4.740 4.350 -0.000 0.000 0.293 486 T C -0.754 173.952 174.700 0.011 0.000 1.027 486 T CA -0.931 61.226 62.100 0.094 0.000 0.988 486 T CB 1.897 70.853 68.868 0.147 0.000 1.043 486 T HN -0.049 nan 8.240 nan 0.000 0.461 487 K N 1.728 122.144 120.400 0.027 0.000 2.221 487 K HA 0.674 4.994 4.320 -0.000 0.000 0.258 487 K C -1.070 175.522 176.600 -0.015 0.000 0.944 487 K CA -0.701 55.589 56.287 0.005 0.000 0.823 487 K CB 1.725 34.252 32.500 0.046 0.000 1.113 487 K HN 0.277 nan 8.250 nan 0.000 0.431 488 V N 4.265 124.155 119.914 -0.039 0.000 2.333 488 V HA 0.225 4.345 4.120 -0.000 0.000 0.274 488 V C -0.135 175.958 176.094 -0.002 0.000 1.028 488 V CA -0.581 61.708 62.300 -0.018 0.000 0.851 488 V CB 0.927 32.720 31.823 -0.050 0.000 1.000 488 V HN 0.618 nan 8.190 nan 0.000 0.456 489 K N 3.374 123.783 120.400 0.014 0.000 2.206 489 K HA 0.554 4.874 4.320 -0.000 0.000 0.264 489 K C -0.568 175.975 176.600 -0.095 0.000 0.967 489 K CA -0.341 55.925 56.287 -0.034 0.000 0.844 489 K CB 1.398 33.884 32.500 -0.023 0.000 1.099 489 K HN 0.651 nan 8.250 nan 0.000 0.441 490 T N 2.941 117.409 114.554 -0.143 0.000 2.771 490 T HA 0.315 4.665 4.350 -0.000 0.000 0.281 490 T C -0.894 173.604 174.700 -0.336 0.000 0.982 490 T CA -0.577 61.383 62.100 -0.233 0.000 0.978 490 T CB 1.323 70.088 68.868 -0.172 0.000 0.930 490 T HN 0.288 nan 8.240 nan 0.000 0.447 491 V N 3.941 123.488 119.914 -0.611 0.000 2.378 491 V HA 0.417 4.537 4.120 -0.000 0.000 0.288 491 V C 0.138 175.876 176.094 -0.594 0.000 1.016 491 V CA -0.667 61.246 62.300 -0.646 0.000 0.840 491 V CB 1.708 32.961 31.823 -0.951 0.000 0.994 491 V HN 0.944 nan 8.190 nan 0.000 0.431 492 T N 5.008 119.380 114.554 -0.303 0.000 2.788 492 T HA 0.516 4.866 4.350 -0.000 0.000 0.296 492 T C -0.258 174.432 174.700 -0.017 0.000 1.009 492 T CA -0.244 61.752 62.100 -0.174 0.000 0.949 492 T CB 1.191 69.946 68.868 -0.189 0.000 0.946 492 T HN 0.335 nan 8.240 nan 0.000 0.453 493 V N 4.232 124.206 119.914 0.100 0.000 2.483 493 V HA 0.437 4.557 4.120 -0.000 0.000 0.295 493 V C 0.454 176.749 176.094 0.335 0.000 1.035 493 V CA -1.118 61.310 62.300 0.214 0.000 0.896 493 V CB 1.726 33.707 31.823 0.263 0.000 0.986 493 V HN 0.698 nan 8.190 nan 0.000 0.447 494 K N 3.766 124.338 120.400 0.287 0.000 2.368 494 K HA 0.490 4.810 4.320 -0.000 0.000 0.282 494 K C -0.545 176.080 176.600 0.043 0.000 1.035 494 K CA -0.253 56.126 56.287 0.153 0.000 0.973 494 K CB 1.047 33.622 32.500 0.124 0.000 0.957 494 K HN 0.669 nan 8.250 nan 0.000 0.474 495 V N 2.003 121.876 119.914 -0.069 0.000 2.960 495 V HA 0.412 4.532 4.120 -0.000 0.000 0.315 495 V C -2.107 173.931 176.094 -0.094 0.000 1.087 495 V CA -1.967 60.311 62.300 -0.037 0.000 0.982 495 V CB 1.274 33.101 31.823 0.006 0.000 1.039 495 V HN 0.675 nan 8.190 nan 0.000 0.437 496 P HA -0.111 nan 4.420 nan 0.000 0.213 496 P C 0.041 177.294 177.300 -0.078 0.000 1.170 496 P CA 1.439 64.501 63.100 -0.063 0.000 0.902 496 P CB 0.125 31.799 31.700 -0.043 0.000 0.789 497 Q N -1.224 118.533 119.800 -0.071 0.000 2.331 497 Q HA 0.153 4.493 4.340 -0.000 0.000 0.249 497 Q C -1.100 174.866 176.000 -0.057 0.000 0.913 497 Q CA -0.755 55.007 55.803 -0.068 0.000 0.874 497 Q CB 1.046 29.754 28.738 -0.051 0.000 1.384 497 Q HN -0.220 nan 8.270 nan 0.000 0.427 498 K N 3.785 124.150 120.400 -0.058 0.000 2.368 498 K HA 0.262 4.582 4.320 -0.000 0.000 0.282 498 K C -1.122 175.466 176.600 -0.020 0.000 1.035 498 K CA 0.307 56.576 56.287 -0.029 0.000 0.973 498 K CB 0.499 32.993 32.500 -0.010 0.000 0.957 498 K HN 0.720 nan 8.250 nan 0.000 0.474 499 N N 1.455 120.144 118.700 -0.019 0.000 2.229 499 N HA 0.107 4.847 4.740 -0.000 0.000 0.298 499 N C -0.517 174.987 175.510 -0.010 0.000 1.114 499 N CA -0.478 52.562 53.050 -0.016 0.000 0.776 499 N CB 1.791 40.263 38.487 -0.025 0.000 1.501 499 N HN 0.660 nan 8.380 nan 0.000 0.474 500 S N 0.000 115.697 115.700 -0.004 0.000 2.498 500 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 500 S CA 0.000 58.200 58.200 0.000 0.000 1.107 500 S CB 0.000 63.202 63.200 0.003 0.000 0.593 500 S HN 0.000 nan 8.310 nan 0.000 0.517