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 1ffx_1_B DATA FIRST_RESID 1 DATA SEQUENCE MREIVHIQAG QCGNQIGAKF WEVISDEHGI DXXXXXXXXX XXXXXXXXXX DATA SEQUENCE VYYNEAAGNK YVPRAILVDL EPGTMDSVRS GPFGQIFRPD NFVFGQSGAG DATA SEQUENCE NNWAKGHYTE GAELVDSVLD VVRKESESCD CLQGFQLTHS LGGGTGSGMG DATA SEQUENCE TLLISKIREE YPDRIMNTFS VVPSPKVSDT VVEPYNATLS VHQLVENTDE DATA SEQUENCE TYCIDNEALY DICFRTLKLT TPTYGDLNHL VSATMSGVTT CLRFPGQLNA DATA SEQUENCE DLRKLAVNMV PFPRLHFFMP GFAPLTSRGS QQYRALTVPE LTQQMFDAKN DATA SEQUENCE MMAACDPRHG RYLTVAAVFR GRMSMKEVDE QMLNVQNKNS SYFVEWIPNN DATA SEQUENCE VKTAVCDIPP XXXXXXXXRG LKMSATFIGN STAIQELFKR ISEQFTAMFR DATA SEQUENCE RKAFLHWYTG EGMDEMEFTE AESNMNDLVS EYQQYQD VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.292 176.300 -0.013 0.000 1.140 1 M CA 0.000 55.297 55.300 -0.006 0.000 0.988 1 M CB 0.000 32.595 32.600 -0.008 0.000 1.302 2 R N 2.974 123.466 120.500 -0.013 0.000 5.010 2 R HA 0.001 4.341 4.340 -0.000 0.000 0.175 2 R C -0.301 175.984 176.300 -0.026 0.000 2.216 2 R CA 0.361 56.448 56.100 -0.021 0.000 1.778 2 R CB -0.407 29.886 30.300 -0.012 0.000 1.310 2 R HN 0.215 nan 8.270 nan 0.000 0.814 3 E N 1.979 122.162 120.200 -0.028 0.000 2.311 3 E HA -0.070 4.280 4.350 -0.000 0.000 0.247 3 E C -0.507 176.065 176.600 -0.047 0.000 1.215 3 E CA 0.150 56.536 56.400 -0.023 0.000 0.957 3 E CB 0.260 29.951 29.700 -0.016 0.000 1.020 3 E HN 0.474 nan 8.360 nan 0.000 0.461 4 I N 4.699 125.260 120.570 -0.017 0.000 2.325 4 I HA 0.062 4.232 4.170 -0.000 0.000 0.291 4 I C -0.024 176.130 176.117 0.063 0.000 1.019 4 I CA -0.672 60.623 61.300 -0.009 0.000 1.302 4 I CB 1.608 39.629 38.000 0.035 0.000 1.401 4 I HN 0.217 nan 8.210 nan 0.000 0.485 5 V N 6.658 126.597 119.914 0.042 0.000 2.174 5 V HA 0.040 4.160 4.120 -0.000 0.000 0.259 5 V C 0.633 176.897 176.094 0.283 0.000 1.261 5 V CA -0.476 61.940 62.300 0.194 0.000 1.137 5 V CB -0.585 31.445 31.823 0.345 0.000 1.290 5 V HN 0.615 nan 8.190 nan 0.000 0.486 6 H N 5.150 124.353 119.070 0.222 0.000 3.107 6 H HA 0.163 4.719 4.556 -0.000 0.000 0.301 6 H C -0.514 174.956 175.328 0.236 0.000 0.981 6 H CA 0.465 56.682 56.048 0.283 0.000 1.443 6 H CB 0.554 30.610 29.762 0.491 0.000 1.479 6 H HN 0.433 nan 8.280 nan 0.000 0.564 7 I N 4.769 125.155 120.570 -0.306 0.000 2.493 7 I HA 0.165 4.335 4.170 -0.000 0.000 0.298 7 I C -0.098 175.788 176.117 -0.386 0.000 0.998 7 I CA -0.499 60.657 61.300 -0.241 0.000 1.137 7 I CB 1.947 39.865 38.000 -0.137 0.000 1.310 7 I HN 0.570 nan 8.210 nan 0.000 0.445 8 Q N 4.974 124.696 119.800 -0.129 0.000 2.374 8 Q HA 0.665 5.005 4.340 -0.000 0.000 0.250 8 Q C -1.845 174.191 176.000 0.060 0.000 0.918 8 Q CA -0.434 55.377 55.803 0.013 0.000 0.778 8 Q CB 1.933 30.796 28.738 0.207 0.000 1.328 8 Q HN 0.813 nan 8.270 nan 0.000 0.445 9 A N 2.127 124.994 122.820 0.079 0.000 2.423 9 A HA 1.022 5.341 4.320 -0.000 0.000 0.304 9 A C -0.140 177.513 177.584 0.115 0.000 1.104 9 A CA -0.184 51.914 52.037 0.101 0.000 0.757 9 A CB 1.603 20.664 19.000 0.102 0.000 1.313 9 A HN 1.207 nan 8.150 nan 0.000 0.423 10 G N 0.039 108.898 108.800 0.098 0.000 2.862 10 G HA2 0.107 4.067 3.960 -0.000 0.000 0.686 10 G HA3 0.107 4.067 3.960 -0.000 0.000 0.686 10 G C 0.189 175.130 174.900 0.068 0.000 1.134 10 G CA 0.597 45.742 45.100 0.075 0.000 0.791 10 G HN 1.492 nan 8.290 nan 0.000 0.592 11 Q N 0.459 120.291 119.800 0.053 0.000 1.956 11 Q HA -0.140 4.200 4.340 -0.000 0.000 0.208 11 Q C 2.461 178.489 176.000 0.046 0.000 0.998 11 Q CA 3.082 58.915 55.803 0.050 0.000 0.855 11 Q CB -0.664 28.098 28.738 0.040 0.000 0.928 11 Q HN 1.096 nan 8.270 nan 0.000 0.418 12 C N 0.358 119.676 119.300 0.030 0.000 2.379 12 C HA 0.371 4.830 4.460 -0.000 0.000 0.376 12 C C 1.480 176.487 174.990 0.030 0.000 1.323 12 C CA 0.184 59.215 59.018 0.022 0.000 1.575 12 C CB -1.708 26.035 27.740 0.004 0.000 1.661 12 C HN 0.704 nan 8.230 nan 0.000 0.594 13 G N 0.215 109.047 108.800 0.054 0.000 2.687 13 G HA2 0.004 3.964 3.960 -0.000 0.000 0.201 13 G HA3 0.004 3.964 3.960 -0.000 0.000 0.201 13 G C 1.164 176.122 174.900 0.097 0.000 1.211 13 G CA -0.036 45.111 45.100 0.079 0.000 0.637 13 G HN 0.489 nan 8.290 nan 0.000 0.900 14 N N 0.607 119.368 118.700 0.102 0.000 2.120 14 N HA -0.121 4.619 4.740 -0.000 0.000 0.188 14 N C 2.251 177.836 175.510 0.125 0.000 1.024 14 N CA 1.103 54.228 53.050 0.125 0.000 0.852 14 N CB -0.068 38.481 38.487 0.104 0.000 1.003 14 N HN 0.306 nan 8.380 nan 0.000 0.424 15 Q N 0.626 120.481 119.800 0.091 0.000 2.133 15 Q HA -0.202 4.138 4.340 -0.000 0.000 0.208 15 Q C 2.230 178.282 176.000 0.088 0.000 0.991 15 Q CA 1.436 57.288 55.803 0.082 0.000 0.867 15 Q CB -0.136 28.635 28.738 0.054 0.000 0.911 15 Q HN 0.580 nan 8.270 nan 0.000 0.417 16 I N -1.462 119.151 120.570 0.072 0.000 2.270 16 I HA -0.011 4.159 4.170 -0.000 0.000 0.239 16 I C 2.020 178.190 176.117 0.089 0.000 1.080 16 I CA 1.486 62.812 61.300 0.045 0.000 1.383 16 I CB -0.552 37.442 38.000 -0.010 0.000 1.097 16 I HN 0.165 nan 8.210 nan 0.000 0.420 17 G N 0.574 109.446 108.800 0.120 0.000 2.516 17 G HA2 -0.214 3.745 3.960 -0.000 0.000 0.221 17 G HA3 -0.214 3.745 3.960 -0.000 0.000 0.221 17 G C 1.551 176.736 174.900 0.475 0.000 1.107 17 G CA 0.918 46.167 45.100 0.249 0.000 0.747 17 G HN 0.637 nan 8.290 nan 0.000 0.567 18 A N 1.292 124.316 122.820 0.339 0.000 1.832 18 A HA 0.124 4.444 4.320 -0.000 0.000 0.214 18 A C 2.108 179.904 177.584 0.353 0.000 1.242 18 A CA 1.380 53.626 52.037 0.348 0.000 0.603 18 A CB -0.270 18.855 19.000 0.209 0.000 0.902 18 A HN 0.143 nan 8.150 nan 0.000 0.455 19 K N 0.268 120.809 120.400 0.235 0.000 2.678 19 K HA -0.080 4.240 4.320 -0.000 0.000 0.194 19 K C 0.974 177.662 176.600 0.146 0.000 1.031 19 K CA 0.543 56.939 56.287 0.182 0.000 0.961 19 K CB -1.063 31.520 32.500 0.139 0.000 0.793 19 K HN 0.703 nan 8.250 nan 0.000 0.492 20 F N -1.209 118.730 119.950 -0.019 0.000 2.220 20 F HA -0.071 4.456 4.527 -0.000 0.000 0.290 20 F C 1.128 176.761 175.800 -0.278 0.000 1.080 20 F CA 0.272 58.147 58.000 -0.209 0.000 1.318 20 F CB 0.070 38.902 39.000 -0.279 0.000 1.063 20 F HN -0.034 nan 8.300 nan 0.000 0.498 21 W N 1.404 122.519 121.300 -0.308 0.000 2.961 21 W HA 0.033 4.693 4.660 -0.000 0.000 0.240 21 W C 1.626 177.771 176.519 -0.624 0.000 1.305 21 W CA 0.290 57.321 57.345 -0.523 0.000 1.465 21 W CB -0.322 28.922 29.460 -0.360 0.000 1.135 21 W HN 0.081 nan 8.180 nan 0.000 0.688 22 E N -0.545 119.518 120.200 -0.227 0.000 2.166 22 E HA -0.061 4.289 4.350 -0.000 0.000 0.192 22 E C 2.225 178.696 176.600 -0.216 0.000 0.967 22 E CA 0.694 56.948 56.400 -0.243 0.000 0.840 22 E CB -0.562 29.216 29.700 0.130 0.000 0.795 22 E HN 0.006 nan 8.360 nan 0.000 0.470 23 V N 0.807 120.584 119.914 -0.228 0.000 2.548 23 V HA -0.106 4.014 4.120 -0.000 0.000 0.249 23 V C 0.673 176.560 176.094 -0.344 0.000 1.055 23 V CA 0.651 62.807 62.300 -0.239 0.000 1.065 23 V CB -0.227 31.462 31.823 -0.224 0.000 0.681 23 V HN 0.196 nan 8.190 nan 0.000 0.462 24 I N 1.170 121.412 120.570 -0.546 0.000 2.455 24 I HA 0.057 4.227 4.170 -0.000 0.000 0.303 24 I C 0.664 176.585 176.117 -0.327 0.000 1.180 24 I CA 0.788 61.772 61.300 -0.528 0.000 1.469 24 I CB -0.318 37.220 38.000 -0.770 0.000 1.480 24 I HN -0.009 nan 8.210 nan 0.000 0.669 25 S N 4.353 119.933 115.700 -0.200 0.000 2.410 25 S HA 0.597 5.067 4.470 -0.000 0.000 0.304 25 S C 0.657 175.243 174.600 -0.023 0.000 1.095 25 S CA 0.313 58.458 58.200 -0.091 0.000 1.089 25 S CB 0.400 63.583 63.200 -0.028 0.000 0.968 25 S HN 0.717 nan 8.310 nan 0.000 0.480 26 D N 1.295 121.699 120.400 0.007 0.000 2.715 26 D HA 0.409 5.049 4.640 -0.000 0.000 0.418 26 D C 0.424 176.783 176.300 0.099 0.000 1.290 26 D CA 1.056 55.096 54.000 0.067 0.000 1.005 26 D CB -1.488 39.363 40.800 0.086 0.000 1.631 26 D HN 0.837 nan 8.370 nan 0.000 0.375 27 E N -1.506 118.745 120.200 0.084 0.000 3.699 27 E HA 0.045 4.395 4.350 -0.000 0.000 0.299 27 E C 0.872 177.574 176.600 0.170 0.000 1.551 27 E CA 2.686 59.164 56.400 0.131 0.000 2.243 27 E CB -1.968 27.815 29.700 0.139 0.000 1.984 27 E HN 2.461 nan 8.360 nan 0.000 0.434 28 H N -0.469 118.689 119.070 0.148 0.000 2.486 28 H HA 0.708 5.264 4.556 -0.000 0.000 0.239 28 H C 1.511 176.849 175.328 0.017 0.000 1.480 28 H CA 0.714 56.842 56.048 0.134 0.000 1.324 28 H CB 0.113 29.944 29.762 0.116 0.000 1.486 28 H HN 2.409 nan 8.280 nan 0.000 0.544 29 G N -0.658 108.121 108.800 -0.035 0.000 2.796 29 G HA2 0.393 4.352 3.960 -0.000 0.000 0.571 29 G HA3 0.393 4.352 3.960 -0.000 0.000 0.571 29 G C 0.999 175.884 174.900 -0.026 0.000 1.370 29 G CA 1.130 46.177 45.100 -0.088 0.000 0.856 29 G HN 2.537 nan 8.290 nan 0.000 0.538 30 I N -3.074 117.470 120.570 -0.044 0.000 5.903 30 I HA 0.371 4.541 4.170 -0.000 0.000 0.126 30 I C 0.819 176.919 176.117 -0.028 0.000 1.818 30 I CA 2.136 63.415 61.300 -0.034 0.000 2.037 30 I CB -2.382 35.611 38.000 -0.013 0.000 3.408 30 I HN 2.696 nan 8.210 nan 0.000 0.169 52 Y N 0.669 120.967 120.300 -0.002 0.000 2.749 52 Y HA 0.227 4.777 4.550 -0.000 0.000 0.321 52 Y C 0.570 176.462 175.900 -0.014 0.000 1.195 52 Y CA 0.293 58.382 58.100 -0.019 0.000 1.338 52 Y CB -0.593 37.815 38.460 -0.087 0.000 1.017 52 Y HN 0.594 nan 8.280 nan 0.000 0.517 53 Y N 1.337 121.576 120.300 -0.101 0.000 2.724 53 Y HA 0.273 4.823 4.550 -0.000 0.000 0.370 53 Y C 0.053 175.928 175.900 -0.041 0.000 0.978 53 Y CA -1.717 56.292 58.100 -0.152 0.000 1.443 53 Y CB -0.984 37.413 38.460 -0.106 0.000 1.386 53 Y HN 0.005 nan 8.280 nan 0.000 0.557 54 N N 1.423 120.226 118.700 0.172 0.000 2.232 54 N HA -0.122 4.617 4.740 -0.000 0.000 0.251 54 N C 0.336 175.944 175.510 0.164 0.000 1.242 54 N CA 0.696 53.867 53.050 0.203 0.000 0.837 54 N CB 0.693 39.314 38.487 0.225 0.000 1.079 54 N HN 0.375 nan 8.380 nan 0.000 0.461 55 E N 0.627 120.933 120.200 0.177 0.000 3.659 55 E HA 0.167 4.517 4.350 -0.000 0.000 0.217 55 E C -0.702 175.932 176.600 0.057 0.000 1.141 55 E CA -0.581 55.886 56.400 0.112 0.000 1.340 55 E CB 0.238 30.019 29.700 0.134 0.000 1.295 55 E HN 0.569 nan 8.360 nan 0.000 0.434 56 A N 1.382 124.226 122.820 0.040 0.000 2.898 56 A HA 0.311 4.631 4.320 -0.000 0.000 0.288 56 A C 0.697 178.250 177.584 -0.052 0.000 1.771 56 A CA 0.302 52.313 52.037 -0.042 0.000 1.383 56 A CB -0.472 18.470 19.000 -0.097 0.000 1.028 56 A HN 0.338 nan 8.150 nan 0.000 0.595 57 A N 1.756 124.546 122.820 -0.051 0.000 2.363 57 A HA 0.717 5.037 4.320 -0.000 0.000 0.270 57 A C 1.275 178.844 177.584 -0.026 0.000 1.121 57 A CA 0.596 52.613 52.037 -0.033 0.000 0.800 57 A CB 0.259 19.241 19.000 -0.030 0.000 1.052 57 A HN 2.448 nan 8.150 nan 0.000 0.493 58 G N 1.766 110.567 108.800 0.002 0.000 2.222 58 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.218 58 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.218 58 G C -0.093 174.831 174.900 0.040 0.000 1.450 58 G CA 0.338 45.466 45.100 0.046 0.000 1.361 58 G HN 1.343 nan 8.290 nan 0.000 0.474 59 N N -0.334 118.389 118.700 0.039 0.000 3.102 59 N HA 0.625 5.365 4.740 -0.000 0.000 0.299 59 N C -0.073 175.422 175.510 -0.024 0.000 1.482 59 N CA -0.559 52.510 53.050 0.032 0.000 0.785 59 N CB 1.186 39.718 38.487 0.075 0.000 1.680 59 N HN 0.546 nan 8.380 nan 0.000 0.594 60 K N -0.240 120.170 120.400 0.018 0.000 2.218 60 K HA -0.018 4.302 4.320 -0.000 0.000 0.250 60 K C -0.307 176.251 176.600 -0.070 0.000 1.024 60 K CA 0.621 56.917 56.287 0.014 0.000 0.842 60 K CB -0.171 32.387 32.500 0.097 0.000 1.041 60 K HN 0.424 nan 8.250 nan 0.000 0.522 61 Y N 0.521 120.856 120.300 0.059 0.000 3.307 61 Y HA 0.084 4.634 4.550 -0.000 0.000 0.380 61 Y C -0.005 175.914 175.900 0.031 0.000 0.981 61 Y CA -0.097 58.032 58.100 0.048 0.000 1.956 61 Y CB -0.699 37.783 38.460 0.037 0.000 2.165 61 Y HN 0.134 nan 8.280 nan 0.000 0.420 62 V N -2.726 117.217 119.914 0.050 0.000 2.671 62 V HA 0.414 4.534 4.120 -0.000 0.000 0.292 62 V C -2.896 173.219 176.094 0.034 0.000 1.115 62 V CA -3.045 59.277 62.300 0.036 0.000 0.918 62 V CB 1.634 33.458 31.823 0.001 0.000 1.036 62 V HN -0.101 nan 8.190 nan 0.000 0.445 63 P HA -0.097 nan 4.420 nan 0.000 0.258 63 P C 0.818 178.064 177.300 -0.090 0.000 1.128 63 P CA 0.725 63.666 63.100 -0.264 0.000 0.760 63 P CB 0.311 31.344 31.700 -1.113 0.000 0.715 64 R N 4.051 124.629 120.500 0.129 0.000 2.328 64 R HA 0.002 4.342 4.340 -0.000 0.000 0.207 64 R C 0.557 176.913 176.300 0.093 0.000 1.056 64 R CA 0.409 56.583 56.100 0.123 0.000 1.016 64 R CB -0.287 30.116 30.300 0.171 0.000 0.872 64 R HN 0.587 nan 8.270 nan 0.000 0.471 65 A N 1.349 124.212 122.820 0.073 0.000 2.624 65 A HA -0.068 4.252 4.320 -0.000 0.000 0.231 65 A C 0.329 177.892 177.584 -0.036 0.000 1.034 65 A CA 0.719 52.846 52.037 0.150 0.000 0.754 65 A CB -0.023 18.806 19.000 -0.285 0.000 0.953 65 A HN 0.572 nan 8.150 nan 0.000 0.509 66 I N 3.547 124.112 120.570 -0.010 0.000 2.862 66 I HA 0.296 4.466 4.170 -0.000 0.000 0.285 66 I C -0.591 175.456 176.117 -0.118 0.000 1.339 66 I CA -0.809 60.394 61.300 -0.161 0.000 1.002 66 I CB -0.137 37.756 38.000 -0.180 0.000 1.618 66 I HN 0.614 nan 8.210 nan 0.000 0.593 67 L N 4.636 125.809 121.223 -0.083 0.000 2.573 67 L HA 0.066 4.406 4.340 -0.000 0.000 0.290 67 L C -0.295 176.579 176.870 0.006 0.000 1.247 67 L CA 0.384 55.218 54.840 -0.011 0.000 0.876 67 L CB 0.396 42.453 42.059 -0.003 0.000 1.123 67 L HN 0.257 nan 8.230 nan 0.000 0.505 68 V N 2.095 122.057 119.914 0.080 0.000 2.653 68 V HA 0.311 4.431 4.120 -0.000 0.000 0.298 68 V C -0.928 175.249 176.094 0.138 0.000 1.097 68 V CA -0.566 61.830 62.300 0.160 0.000 0.908 68 V CB 1.992 33.918 31.823 0.171 0.000 1.024 68 V HN 0.750 nan 8.190 nan 0.000 0.435 69 D N 3.027 123.516 120.400 0.148 0.000 2.527 69 D HA 0.452 5.092 4.640 -0.000 0.000 0.233 69 D C 0.343 176.705 176.300 0.103 0.000 1.063 69 D CA -0.606 53.461 54.000 0.110 0.000 0.880 69 D CB 2.466 43.324 40.800 0.096 0.000 1.457 69 D HN 0.278 nan 8.370 nan 0.000 0.475 70 L N 1.751 123.020 121.223 0.077 0.000 2.102 70 L HA 0.102 4.442 4.340 -0.000 0.000 0.202 70 L C 1.240 178.139 176.870 0.049 0.000 1.076 70 L CA 1.485 56.360 54.840 0.059 0.000 0.761 70 L CB -0.776 41.312 42.059 0.048 0.000 0.921 70 L HN 0.688 nan 8.230 nan 0.000 0.444 71 E N 0.981 121.210 120.200 0.049 0.000 3.837 71 E HA 0.121 4.470 4.350 -0.000 0.000 0.280 71 E C -1.944 174.689 176.600 0.055 0.000 1.282 71 E CA -0.922 55.503 56.400 0.041 0.000 1.431 71 E CB -0.294 29.426 29.700 0.035 0.000 1.509 71 E HN 0.024 nan 8.360 nan 0.000 0.728 72 P HA 0.149 nan 4.420 nan 0.000 0.259 72 P C 0.636 177.969 177.300 0.056 0.000 1.530 72 P CA 0.073 63.206 63.100 0.056 0.000 1.022 72 P CB 0.258 31.986 31.700 0.047 0.000 1.514 73 G N 1.066 109.900 108.800 0.056 0.000 2.708 73 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.210 73 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.210 73 G C 1.179 176.116 174.900 0.061 0.000 1.141 73 G CA 0.844 45.977 45.100 0.054 0.000 0.788 73 G HN 0.383 nan 8.290 nan 0.000 0.531 74 T N -1.839 112.756 114.554 0.069 0.000 3.308 74 T HA 0.172 4.522 4.350 -0.000 0.000 0.255 74 T C 1.837 176.572 174.700 0.059 0.000 1.162 74 T CA 0.433 62.575 62.100 0.069 0.000 1.031 74 T CB -0.060 68.856 68.868 0.080 0.000 0.973 74 T HN 0.130 nan 8.240 nan 0.000 0.544 75 M N 0.551 120.184 119.600 0.054 0.000 2.879 75 M HA 0.194 4.674 4.480 -0.000 0.000 0.241 75 M C 1.258 177.584 176.300 0.044 0.000 1.523 75 M CA 0.263 55.590 55.300 0.046 0.000 1.195 75 M CB -0.609 32.016 32.600 0.042 0.000 1.277 75 M HN 0.172 nan 8.290 nan 0.000 0.557 76 D N 1.062 121.488 120.400 0.043 0.000 1.972 76 D HA -0.290 4.350 4.640 -0.000 0.000 0.624 76 D C 1.267 177.591 176.300 0.041 0.000 0.670 76 D CA 2.112 56.136 54.000 0.040 0.000 1.629 76 D CB -0.977 39.849 40.800 0.044 0.000 0.608 76 D HN 0.295 nan 8.370 nan 0.000 0.237 77 S N -0.742 114.987 115.700 0.049 0.000 2.556 77 S HA 0.133 4.603 4.470 -0.000 0.000 0.216 77 S C 1.848 176.489 174.600 0.069 0.000 0.970 77 S CA 0.243 58.475 58.200 0.053 0.000 0.912 77 S CB -0.195 63.041 63.200 0.059 0.000 0.790 77 S HN 0.305 nan 8.310 nan 0.000 0.504 78 V N 1.935 121.889 119.914 0.068 0.000 2.221 78 V HA -0.094 4.026 4.120 -0.000 0.000 0.244 78 V C 2.026 178.158 176.094 0.063 0.000 1.043 78 V CA 1.762 64.106 62.300 0.074 0.000 0.996 78 V CB -0.588 31.273 31.823 0.063 0.000 0.636 78 V HN 0.451 nan 8.190 nan 0.000 0.454 79 R N 0.470 120.998 120.500 0.046 0.000 4.263 79 R HA 0.261 4.601 4.340 -0.000 0.000 0.248 79 R C 0.294 176.608 176.300 0.024 0.000 1.796 79 R CA 0.196 56.316 56.100 0.033 0.000 1.518 79 R CB -0.039 30.279 30.300 0.030 0.000 1.342 79 R HN 0.576 nan 8.270 nan 0.000 0.706 80 S N -1.932 113.783 115.700 0.026 0.000 2.921 80 S HA 0.409 4.879 4.470 -0.000 0.000 0.315 80 S C 1.476 176.066 174.600 -0.016 0.000 1.087 80 S CA -0.163 58.043 58.200 0.009 0.000 0.877 80 S CB 0.801 64.013 63.200 0.020 0.000 1.340 80 S HN 0.334 nan 8.310 nan 0.000 0.622 81 G N 2.517 111.302 108.800 -0.026 0.000 2.728 81 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.224 81 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.224 81 G C -0.549 174.276 174.900 -0.125 0.000 1.123 81 G CA 1.642 46.705 45.100 -0.062 0.000 0.755 81 G HN 0.660 nan 8.290 nan 0.000 0.622 82 P HA -0.032 nan 4.420 nan 0.000 0.201 82 P C -0.031 176.982 177.300 -0.477 0.000 0.995 82 P CA 0.888 63.944 63.100 -0.074 0.000 0.866 82 P CB -0.100 31.748 31.700 0.246 0.000 0.652 83 F N -1.018 118.946 119.950 0.024 0.000 2.710 83 F HA 0.406 4.933 4.527 -0.000 0.000 0.345 83 F C 1.010 176.803 175.800 -0.011 0.000 1.362 83 F CA -0.778 57.227 58.000 0.008 0.000 1.175 83 F CB 0.465 39.475 39.000 0.017 0.000 1.561 83 F HN -0.001 nan 8.300 nan 0.000 0.593 84 G N 1.317 110.147 108.800 0.050 0.000 3.284 84 G HA2 0.231 4.191 3.960 -0.000 0.000 0.251 84 G HA3 0.231 4.191 3.960 -0.000 0.000 0.251 84 G C 0.395 175.310 174.900 0.025 0.000 0.913 84 G CA -0.000 45.122 45.100 0.037 0.000 1.947 84 G HN 0.401 nan 8.290 nan 0.000 0.635 85 Q N 0.803 120.625 119.800 0.037 0.000 2.063 85 Q HA 0.101 4.441 4.340 -0.000 0.000 0.258 85 Q C 0.372 176.367 176.000 -0.008 0.000 0.855 85 Q CA -0.393 55.418 55.803 0.013 0.000 1.057 85 Q CB 0.559 29.308 28.738 0.018 0.000 1.267 85 Q HN 0.462 nan 8.270 nan 0.000 0.419 86 I N 1.462 122.016 120.570 -0.027 0.000 2.734 86 I HA -0.028 4.142 4.170 -0.000 0.000 0.301 86 I C 0.507 176.647 176.117 0.039 0.000 1.127 86 I CA 0.262 61.505 61.300 -0.096 0.000 2.292 86 I CB -1.578 36.307 38.000 -0.191 0.000 1.590 86 I HN 0.260 nan 8.210 nan 0.000 1.053 87 F N 2.641 122.517 119.950 -0.124 0.000 3.006 87 F HA -0.378 4.149 4.527 -0.000 0.000 0.289 87 F C 1.679 177.430 175.800 -0.082 0.000 0.772 87 F CA 0.679 58.620 58.000 -0.098 0.000 1.162 87 F CB -0.734 38.192 39.000 -0.123 0.000 1.382 87 F HN 0.471 nan 8.300 nan 0.000 0.406 88 R N -1.252 119.317 120.500 0.115 0.000 2.409 88 R HA -0.245 4.095 4.340 -0.000 0.000 0.215 88 R C -1.254 175.116 176.300 0.118 0.000 0.981 88 R CA 2.429 58.577 56.100 0.080 0.000 0.691 88 R CB -2.681 27.636 30.300 0.029 0.000 0.897 88 R HN 0.314 nan 8.270 nan 0.000 0.353 89 P HA 0.007 nan 4.420 nan 0.000 0.262 89 P C -0.164 177.258 177.300 0.203 0.000 1.647 89 P CA 1.009 64.202 63.100 0.155 0.000 0.865 89 P CB -0.418 31.352 31.700 0.117 0.000 1.834 90 D N -3.442 117.018 120.400 0.099 0.000 1.852 90 D HA -0.065 4.575 4.640 -0.000 0.000 0.559 90 D C 0.033 176.161 176.300 -0.287 0.000 0.873 90 D CA -0.062 53.863 54.000 -0.125 0.000 1.045 90 D CB -1.108 39.480 40.800 -0.353 0.000 1.579 90 D HN 0.087 nan 8.370 nan 0.000 0.509 91 N N 0.567 119.185 118.700 -0.137 0.000 2.181 91 N HA -0.051 4.689 4.740 -0.000 0.000 0.251 91 N C -0.573 174.976 175.510 0.065 0.000 1.234 91 N CA 0.726 53.716 53.050 -0.100 0.000 0.835 91 N CB 0.506 39.002 38.487 0.016 0.000 1.082 91 N HN 0.127 nan 8.380 nan 0.000 0.460 92 F N 0.262 120.215 119.950 0.005 0.000 2.469 92 F HA 0.301 4.828 4.527 -0.000 0.000 0.332 92 F C 1.231 177.059 175.800 0.047 0.000 1.103 92 F CA -0.825 57.184 58.000 0.014 0.000 0.979 92 F CB 1.467 40.468 39.000 0.002 0.000 1.137 92 F HN 0.307 nan 8.300 nan 0.000 0.463 93 V N 0.058 120.125 119.914 0.255 0.000 3.079 93 V HA 0.194 4.314 4.120 -0.000 0.000 0.232 93 V C 0.555 176.781 176.094 0.219 0.000 1.594 93 V CA 0.409 62.819 62.300 0.182 0.000 1.153 93 V CB 0.299 32.213 31.823 0.152 0.000 1.049 93 V HN 0.960 nan 8.190 nan 0.000 0.448 94 F N 1.662 121.591 119.950 -0.034 0.000 2.497 94 F HA -0.007 4.520 4.527 -0.000 0.000 0.674 94 F C 0.932 176.715 175.800 -0.028 0.000 0.491 94 F CA 1.611 59.560 58.000 -0.084 0.000 0.976 94 F CB -1.094 37.845 39.000 -0.101 0.000 1.792 94 F HN 1.799 nan 8.300 nan 0.000 0.264 95 G N 2.162 111.150 108.800 0.314 0.000 3.353 95 G HA2 0.333 4.293 3.960 -0.000 0.000 0.682 95 G HA3 0.333 4.293 3.960 -0.000 0.000 0.682 95 G C -0.461 174.516 174.900 0.128 0.000 1.192 95 G CA 0.458 45.677 45.100 0.198 0.000 1.111 95 G HN 1.439 nan 8.290 nan 0.000 0.493 96 Q N 0.075 119.913 119.800 0.064 0.000 3.185 96 Q HA 0.123 4.463 4.340 -0.000 0.000 0.034 96 Q C -0.267 175.698 176.000 -0.058 0.000 1.683 96 Q CA 1.657 57.464 55.803 0.007 0.000 0.263 96 Q CB -0.795 27.945 28.738 0.002 0.000 0.583 96 Q HN 2.520 nan 8.270 nan 0.000 0.322 97 S N 1.367 117.033 115.700 -0.056 0.000 2.721 97 S HA 0.834 5.304 4.470 -0.000 0.000 0.283 97 S C -0.337 174.234 174.600 -0.050 0.000 1.220 97 S CA 0.604 58.749 58.200 -0.092 0.000 1.138 97 S CB 0.736 63.867 63.200 -0.116 0.000 1.284 97 S HN 1.357 nan 8.310 nan 0.000 0.459 98 G N 0.555 109.329 108.800 -0.045 0.000 3.409 98 G HA2 0.655 4.615 3.960 -0.000 0.000 0.168 98 G HA3 0.655 4.615 3.960 -0.000 0.000 0.168 98 G C 0.255 175.156 174.900 0.000 0.000 1.403 98 G CA 0.781 45.868 45.100 -0.021 0.000 1.195 98 G HN 2.161 nan 8.290 nan 0.000 0.751 99 A N -0.346 122.476 122.820 0.004 0.000 1.977 99 A HA 0.247 4.567 4.320 -0.000 0.000 0.256 99 A C 1.304 178.925 177.584 0.062 0.000 1.365 99 A CA 1.445 53.507 52.037 0.041 0.000 0.721 99 A CB -1.394 17.637 19.000 0.052 0.000 1.192 99 A HN 2.034 nan 8.150 nan 0.000 0.289 100 G N 0.668 109.501 108.800 0.056 0.000 2.620 100 G HA2 0.222 4.182 3.960 -0.000 0.000 0.200 100 G HA3 0.222 4.182 3.960 -0.000 0.000 0.200 100 G C 0.587 175.578 174.900 0.152 0.000 1.710 100 G CA 0.474 45.615 45.100 0.069 0.000 0.919 100 G HN 0.841 nan 8.290 nan 0.000 0.455 101 N N 0.794 119.611 118.700 0.194 0.000 2.635 101 N HA 0.170 4.910 4.740 -0.000 0.000 0.307 101 N C -1.060 174.756 175.510 0.509 0.000 1.433 101 N CA -0.194 53.129 53.050 0.454 0.000 0.973 101 N CB 0.333 39.037 38.487 0.363 0.000 1.304 101 N HN 0.186 nan 8.380 nan 0.000 0.507 102 N N 0.273 119.254 118.700 0.469 0.000 2.518 102 N HA 0.080 4.820 4.740 -0.000 0.000 0.254 102 N C 0.343 176.274 175.510 0.701 0.000 0.979 102 N CA -0.704 52.635 53.050 0.482 0.000 0.930 102 N CB 0.687 39.288 38.487 0.191 0.000 1.152 102 N HN 0.182 nan 8.380 nan 0.000 0.505 103 W N 4.631 126.215 121.300 0.473 0.000 2.311 103 W HA -0.197 4.463 4.660 -0.000 0.000 0.326 103 W C 1.924 178.666 176.519 0.372 0.000 1.239 103 W CA 2.602 60.211 57.345 0.441 0.000 1.258 103 W CB -0.789 28.736 29.460 0.108 0.000 1.165 103 W HN 0.697 nan 8.180 nan 0.000 0.466 104 A N 0.344 123.389 122.820 0.374 0.000 1.985 104 A HA -0.266 4.054 4.320 -0.000 0.000 0.223 104 A C 1.440 179.161 177.584 0.229 0.000 1.189 104 A CA 1.810 53.976 52.037 0.215 0.000 0.658 104 A CB -0.964 18.138 19.000 0.170 0.000 0.820 104 A HN 0.335 nan 8.150 nan 0.000 0.464 105 K N -1.464 119.078 120.400 0.237 0.000 2.298 105 K HA 0.376 4.696 4.320 -0.000 0.000 0.280 105 K C 1.019 177.709 176.600 0.151 0.000 1.032 105 K CA 0.489 56.876 56.287 0.165 0.000 0.958 105 K CB 0.295 32.886 32.500 0.152 0.000 0.978 105 K HN 0.720 nan 8.250 nan 0.000 0.472 106 G N 1.900 110.753 108.800 0.088 0.000 2.153 106 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.252 106 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.252 106 G C 0.333 175.253 174.900 0.033 0.000 0.994 106 G CA 0.597 45.734 45.100 0.062 0.000 0.698 106 G HN 0.851 nan 8.290 nan 0.000 0.521 107 H N -3.151 115.824 119.070 -0.159 0.000 3.749 107 H HA 0.186 4.742 4.556 -0.000 0.000 0.266 107 H C 0.688 175.675 175.328 -0.568 0.000 1.123 107 H CA 0.789 56.603 56.048 -0.390 0.000 1.189 107 H CB 0.546 29.897 29.762 -0.685 0.000 1.731 107 H HN 0.422 nan 8.280 nan 0.000 0.863 108 Y N -0.766 119.499 120.300 -0.058 0.000 2.506 108 Y HA 0.076 4.626 4.550 -0.000 0.000 0.290 108 Y C 1.500 177.377 175.900 -0.038 0.000 1.003 108 Y CA 0.878 58.949 58.100 -0.048 0.000 1.082 108 Y CB 0.973 39.401 38.460 -0.054 0.000 1.399 108 Y HN 0.229 nan 8.280 nan 0.000 0.586 109 T N -3.111 111.511 114.554 0.114 0.000 2.213 109 T HA 0.159 4.509 4.350 -0.000 0.000 0.184 109 T C 0.332 175.037 174.700 0.008 0.000 0.716 109 T CA -0.523 61.609 62.100 0.053 0.000 1.296 109 T CB 0.132 69.034 68.868 0.056 0.000 2.422 109 T HN -0.050 nan 8.240 nan 0.000 0.446 110 E N 1.556 121.751 120.200 -0.008 0.000 3.619 110 E HA 0.173 4.523 4.350 -0.000 0.000 0.269 110 E C 0.810 177.393 176.600 -0.030 0.000 1.087 110 E CA 0.661 57.035 56.400 -0.044 0.000 1.113 110 E CB -1.231 28.442 29.700 -0.046 0.000 1.004 110 E HN 0.799 nan 8.360 nan 0.000 0.431 111 G N 0.621 109.403 108.800 -0.029 0.000 4.073 111 G HA2 -0.073 3.887 3.960 -0.000 0.000 0.183 111 G HA3 -0.073 3.887 3.960 -0.000 0.000 0.183 111 G C 1.001 175.883 174.900 -0.031 0.000 0.873 111 G CA 0.107 45.196 45.100 -0.017 0.000 0.937 111 G HN 0.377 nan 8.290 nan 0.000 0.344 112 A N 0.533 123.325 122.820 -0.046 0.000 2.272 112 A HA 0.224 4.544 4.320 -0.000 0.000 0.213 112 A C 1.813 179.388 177.584 -0.016 0.000 1.183 112 A CA 2.253 54.254 52.037 -0.059 0.000 0.719 112 A CB -0.197 18.768 19.000 -0.058 0.000 0.771 112 A HN 0.385 nan 8.150 nan 0.000 0.484 113 E N -0.885 119.321 120.200 0.009 0.000 2.030 113 E HA 0.019 4.369 4.350 -0.000 0.000 0.189 113 E C 1.792 178.495 176.600 0.172 0.000 0.974 113 E CA 0.485 56.943 56.400 0.096 0.000 0.807 113 E CB -0.281 29.406 29.700 -0.022 0.000 0.771 113 E HN 0.358 nan 8.360 nan 0.000 0.451 114 L N 0.176 121.475 121.223 0.127 0.000 2.017 114 L HA -0.152 4.188 4.340 -0.000 0.000 0.208 114 L C 2.144 178.960 176.870 -0.089 0.000 1.073 114 L CA 1.209 56.076 54.840 0.045 0.000 0.745 114 L CB -0.792 41.285 42.059 0.030 0.000 0.894 114 L HN 0.048 nan 8.230 nan 0.000 0.432 115 V N 0.065 119.944 119.914 -0.058 0.000 2.230 115 V HA -0.489 3.630 4.120 -0.000 0.000 0.256 115 V C 2.461 178.506 176.094 -0.081 0.000 1.064 115 V CA 2.407 64.665 62.300 -0.071 0.000 1.050 115 V CB -0.863 30.910 31.823 -0.084 0.000 0.666 115 V HN 0.576 nan 8.190 nan 0.000 0.457 116 D N -0.218 120.137 120.400 -0.076 0.000 2.191 116 D HA -0.202 4.438 4.640 -0.000 0.000 0.195 116 D C 2.350 178.575 176.300 -0.125 0.000 1.003 116 D CA 2.120 56.074 54.000 -0.078 0.000 0.867 116 D CB -0.038 40.724 40.800 -0.063 0.000 0.926 116 D HN 0.676 nan 8.370 nan 0.000 0.450 117 S N -0.467 115.083 115.700 -0.250 0.000 2.355 117 S HA -0.128 4.342 4.470 -0.000 0.000 0.222 117 S C 2.329 176.750 174.600 -0.298 0.000 1.031 117 S CA 1.710 59.619 58.200 -0.484 0.000 0.993 117 S CB -0.765 61.865 63.200 -0.951 0.000 0.859 117 S HN 0.133 nan 8.310 nan 0.000 0.453 118 V N 2.178 122.015 119.914 -0.127 0.000 2.229 118 V HA 0.020 4.139 4.120 -0.000 0.000 0.243 118 V C 2.240 178.459 176.094 0.208 0.000 1.042 118 V CA 1.235 63.828 62.300 0.488 0.000 1.000 118 V CB -0.986 31.002 31.823 0.275 0.000 0.637 118 V HN 0.491 nan 8.190 nan 0.000 0.446 119 L N 0.773 122.026 121.223 0.050 0.000 3.097 119 L HA -0.076 4.264 4.340 -0.000 0.000 0.268 119 L C 0.860 177.748 176.870 0.030 0.000 1.180 119 L CA 1.055 55.901 54.840 0.010 0.000 0.996 119 L CB -0.848 41.199 42.059 -0.020 0.000 1.306 119 L HN 0.503 nan 8.230 nan 0.000 0.413 120 D N -2.286 118.156 120.400 0.071 0.000 2.267 120 D HA 0.048 4.687 4.640 -0.000 0.000 0.297 120 D C 1.629 177.978 176.300 0.082 0.000 1.087 120 D CA 0.370 54.407 54.000 0.062 0.000 0.864 120 D CB 0.918 41.742 40.800 0.041 0.000 1.557 120 D HN 0.081 nan 8.370 nan 0.000 0.523 121 V N 0.663 120.656 119.914 0.131 0.000 3.621 121 V HA 0.086 4.206 4.120 -0.000 0.000 0.263 121 V C 1.997 178.035 176.094 -0.094 0.000 1.272 121 V CA 0.435 62.735 62.300 0.000 0.000 1.080 121 V CB 1.605 33.351 31.823 -0.129 0.000 0.816 121 V HN -0.000 nan 8.190 nan 0.000 0.451 122 V N 0.087 119.972 119.914 -0.049 0.000 2.535 122 V HA -0.062 4.058 4.120 -0.000 0.000 0.246 122 V C 2.539 178.634 176.094 0.001 0.000 1.045 122 V CA 1.677 63.929 62.300 -0.080 0.000 1.058 122 V CB -0.163 31.567 31.823 -0.155 0.000 0.689 122 V HN 0.457 nan 8.190 nan 0.000 0.461 123 R N 0.838 121.362 120.500 0.042 0.000 2.066 123 R HA -0.088 4.252 4.340 -0.000 0.000 0.232 123 R C 1.726 178.071 176.300 0.076 0.000 1.131 123 R CA 1.507 57.676 56.100 0.115 0.000 0.955 123 R CB -0.309 30.058 30.300 0.110 0.000 0.851 123 R HN 0.574 nan 8.270 nan 0.000 0.432 124 K N 0.572 120.990 120.400 0.031 0.000 3.025 124 K HA -0.008 4.311 4.320 -0.000 0.000 0.260 124 K C 0.487 177.077 176.600 -0.016 0.000 1.023 124 K CA 0.713 57.009 56.287 0.014 0.000 1.194 124 K CB 0.583 33.087 32.500 0.005 0.000 1.094 124 K HN 0.006 nan 8.250 nan 0.000 0.460 125 E N -0.035 120.167 120.200 0.005 0.000 2.586 125 E HA -0.117 4.233 4.350 -0.000 0.000 0.225 125 E C 1.416 178.053 176.600 0.062 0.000 1.064 125 E CA 0.941 57.331 56.400 -0.015 0.000 1.695 125 E CB -0.333 29.305 29.700 -0.103 0.000 2.917 125 E HN 0.216 nan 8.360 nan 0.000 1.096 126 S N 1.278 117.055 115.700 0.127 0.000 2.378 126 S HA -0.243 4.227 4.470 -0.000 0.000 0.221 126 S C 1.651 176.353 174.600 0.170 0.000 1.037 126 S CA 1.435 59.773 58.200 0.230 0.000 1.069 126 S CB -0.840 62.609 63.200 0.415 0.000 1.006 126 S HN 0.337 nan 8.310 nan 0.000 0.423 127 E N 1.218 121.520 120.200 0.171 0.000 2.124 127 E HA -0.225 4.125 4.350 -0.000 0.000 0.244 127 E C 0.862 177.512 176.600 0.083 0.000 1.019 127 E CA 1.520 57.991 56.400 0.117 0.000 0.941 127 E CB -1.206 28.546 29.700 0.087 0.000 0.851 127 E HN 0.610 nan 8.360 nan 0.000 0.537 128 S N 0.012 115.753 115.700 0.068 0.000 3.691 128 S HA -0.257 4.213 4.470 -0.000 0.000 0.273 128 S C 1.038 175.668 174.600 0.051 0.000 0.803 128 S CA 0.291 58.527 58.200 0.059 0.000 1.363 128 S CB -1.333 61.904 63.200 0.062 0.000 1.509 128 S HN 0.478 nan 8.310 nan 0.000 0.442 129 C N 1.734 121.061 119.300 0.044 0.000 2.106 129 C HA -0.346 4.114 4.460 -0.000 0.000 0.197 129 C C 1.410 176.419 174.990 0.031 0.000 1.080 129 C CA 1.303 60.342 59.018 0.035 0.000 1.850 129 C CB -1.878 25.881 27.740 0.033 0.000 1.203 129 C HN 1.073 nan 8.230 nan 0.000 0.309 130 D N 1.399 121.815 120.400 0.027 0.000 3.184 130 D HA -0.084 4.556 4.640 -0.000 0.000 0.193 130 D C 0.497 176.806 176.300 0.015 0.000 1.050 130 D CA 0.937 54.949 54.000 0.019 0.000 0.735 130 D CB 0.202 41.013 40.800 0.019 0.000 1.142 130 D HN 1.017 nan 8.370 nan 0.000 0.515 131 C N 4.369 123.673 119.300 0.007 0.000 2.523 131 C HA 0.274 4.733 4.460 -0.000 0.000 0.406 131 C C 1.121 176.102 174.990 -0.015 0.000 1.449 131 C CA -1.284 57.734 59.018 0.000 0.000 1.588 131 C CB -1.319 26.418 27.740 -0.006 0.000 2.514 131 C HN 0.589 nan 8.230 nan 0.000 0.606 132 L N 3.616 124.827 121.223 -0.019 0.000 2.369 132 L HA 0.186 4.526 4.340 -0.000 0.000 0.279 132 L C 1.432 178.218 176.870 -0.139 0.000 1.108 132 L CA -0.014 54.782 54.840 -0.075 0.000 0.852 132 L CB 0.659 42.685 42.059 -0.055 0.000 1.169 132 L HN 0.990 nan 8.230 nan 0.000 0.452 133 Q N 4.408 124.112 119.800 -0.160 0.000 1.921 133 Q HA 0.114 4.454 4.340 -0.000 0.000 0.208 133 Q C 0.647 176.492 176.000 -0.258 0.000 0.994 133 Q CA 1.968 57.675 55.803 -0.160 0.000 0.857 133 Q CB -0.125 28.540 28.738 -0.123 0.000 0.925 133 Q HN 0.958 nan 8.270 nan 0.000 0.421 134 G N -2.856 105.674 108.800 -0.451 0.000 2.435 134 G HA2 0.395 4.355 3.960 -0.000 0.000 0.228 134 G HA3 0.395 4.355 3.960 -0.000 0.000 0.228 134 G C -1.597 172.708 174.900 -0.991 0.000 1.198 134 G CA -0.477 44.218 45.100 -0.674 0.000 0.948 134 G HN 0.128 nan 8.290 nan 0.000 0.487 135 F N 1.029 120.911 119.950 -0.113 0.000 2.612 135 F HA 0.463 4.990 4.527 -0.000 0.000 0.332 135 F C -0.153 175.575 175.800 -0.121 0.000 1.167 135 F CA -0.776 57.152 58.000 -0.121 0.000 0.970 135 F CB 2.375 41.264 39.000 -0.185 0.000 1.234 135 F HN 0.442 nan 8.300 nan 0.000 0.453 136 Q N 2.984 122.819 119.800 0.059 0.000 2.441 136 Q HA 0.520 4.860 4.340 -0.000 0.000 0.234 136 Q C -0.938 175.024 176.000 -0.063 0.000 1.078 136 Q CA -0.753 55.031 55.803 -0.032 0.000 0.907 136 Q CB 1.621 30.377 28.738 0.030 0.000 1.269 136 Q HN 0.671 nan 8.270 nan 0.000 0.502 137 L N 2.549 123.696 121.223 -0.127 0.000 2.281 137 L HA 0.430 4.770 4.340 -0.000 0.000 0.285 137 L C -0.746 176.010 176.870 -0.191 0.000 1.074 137 L CA 0.505 55.239 54.840 -0.175 0.000 0.817 137 L CB 1.187 43.128 42.059 -0.195 0.000 1.168 137 L HN 0.643 nan 8.230 nan 0.000 0.434 138 T N 5.298 119.784 114.554 -0.113 0.000 2.918 138 T HA 0.642 4.992 4.350 -0.000 0.000 0.283 138 T C -0.673 174.056 174.700 0.047 0.000 1.001 138 T CA 0.148 62.257 62.100 0.014 0.000 1.041 138 T CB 0.602 69.522 68.868 0.086 0.000 1.028 138 T HN 1.009 nan 8.240 nan 0.000 0.511 139 H N -2.251 116.859 119.070 0.066 0.000 2.896 139 H HA 0.218 4.774 4.556 -0.000 0.000 0.237 139 H C -1.993 173.355 175.328 0.034 0.000 1.374 139 H CA -1.130 54.943 56.048 0.043 0.000 1.224 139 H CB -0.170 29.616 29.762 0.039 0.000 1.789 139 H HN 0.470 nan 8.280 nan 0.000 0.411 140 S N 2.051 117.784 115.700 0.055 0.000 2.622 140 S HA 0.266 4.736 4.470 -0.000 0.000 0.283 140 S C 0.201 174.657 174.600 -0.240 0.000 1.197 140 S CA -0.839 57.337 58.200 -0.041 0.000 1.146 140 S CB 0.428 63.612 63.200 -0.027 0.000 1.007 140 S HN 0.436 nan 8.310 nan 0.000 0.478 141 L N 2.376 123.446 121.223 -0.255 0.000 2.742 141 L HA -0.069 4.271 4.340 -0.000 0.000 0.297 141 L C 1.259 177.986 176.870 -0.239 0.000 1.238 141 L CA 0.944 55.634 54.840 -0.251 0.000 0.895 141 L CB -0.272 41.719 42.059 -0.113 0.000 1.166 141 L HN 1.044 nan 8.230 nan 0.000 0.494 142 G N 2.663 111.280 108.800 -0.306 0.000 2.370 142 G HA2 -0.017 3.943 3.960 -0.000 0.000 0.268 142 G HA3 -0.017 3.943 3.960 -0.000 0.000 0.268 142 G C 0.317 174.713 174.900 -0.839 0.000 1.122 142 G CA -0.040 44.825 45.100 -0.391 0.000 0.963 142 G HN 1.301 nan 8.290 nan 0.000 0.500 143 G N -1.286 106.737 108.800 -1.294 0.000 5.371 143 G HA2 0.547 4.507 3.960 -0.000 0.000 0.208 143 G HA3 0.547 4.507 3.960 -0.000 0.000 0.208 143 G C 1.606 176.190 174.900 -0.526 0.000 0.815 143 G CA 1.635 46.218 45.100 -0.862 0.000 0.735 143 G HN 1.848 nan 8.290 nan 0.000 0.284 144 G N 0.909 109.359 108.800 -0.583 0.000 2.869 144 G HA2 -0.496 3.464 3.960 -0.000 0.000 0.241 144 G HA3 -0.496 3.464 3.960 -0.000 0.000 0.241 144 G C 1.615 176.593 174.900 0.130 0.000 1.118 144 G CA 2.683 47.892 45.100 0.182 0.000 0.849 144 G HN 0.675 nan 8.290 nan 0.000 0.678 145 T N 0.076 114.662 114.554 0.053 0.000 2.545 145 T HA 0.109 4.459 4.350 -0.000 0.000 0.261 145 T C 2.047 176.784 174.700 0.062 0.000 1.097 145 T CA 2.003 64.138 62.100 0.059 0.000 1.189 145 T CB -0.432 68.458 68.868 0.037 0.000 0.863 145 T HN 0.947 nan 8.240 nan 0.000 0.405 146 G N -0.361 108.463 108.800 0.039 0.000 3.993 146 G HA2 0.402 4.362 3.960 -0.000 0.000 0.294 146 G HA3 0.402 4.362 3.960 -0.000 0.000 0.294 146 G C 0.493 175.422 174.900 0.047 0.000 1.043 146 G CA -0.251 44.892 45.100 0.072 0.000 0.839 146 G HN 0.388 nan 8.290 nan 0.000 0.516 147 S N -0.622 115.059 115.700 -0.031 0.000 2.952 147 S HA 0.367 4.836 4.470 -0.000 0.000 0.251 147 S C 1.376 176.041 174.600 0.108 0.000 1.021 147 S CA 0.281 58.362 58.200 -0.199 0.000 1.067 147 S CB 0.909 63.876 63.200 -0.389 0.000 1.002 147 S HN 0.487 nan 8.310 nan 0.000 0.574 148 G N 0.669 109.613 108.800 0.241 0.000 2.408 148 G HA2 0.102 4.062 3.960 -0.000 0.000 0.190 148 G HA3 0.102 4.062 3.960 -0.000 0.000 0.190 148 G C 0.933 175.994 174.900 0.269 0.000 1.377 148 G CA 0.196 45.537 45.100 0.401 0.000 0.690 148 G HN 0.313 nan 8.290 nan 0.000 1.014 149 M N 1.753 121.449 119.600 0.160 0.000 2.216 149 M HA 0.336 4.816 4.480 -0.000 0.000 0.264 149 M C 2.340 178.692 176.300 0.087 0.000 1.080 149 M CA 2.428 57.773 55.300 0.075 0.000 1.153 149 M CB -0.482 32.160 32.600 0.071 0.000 1.356 149 M HN 0.060 nan 8.290 nan 0.000 0.432 150 G N -1.503 107.396 108.800 0.165 0.000 2.404 150 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.215 150 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.215 150 G C 1.494 176.521 174.900 0.211 0.000 1.174 150 G CA 1.297 46.514 45.100 0.195 0.000 0.780 150 G HN 0.493 nan 8.290 nan 0.000 0.537 151 T N 0.074 114.833 114.554 0.341 0.000 2.977 151 T HA -0.064 4.286 4.350 -0.000 0.000 0.271 151 T C 2.178 177.050 174.700 0.287 0.000 1.105 151 T CA 1.344 63.656 62.100 0.353 0.000 1.116 151 T CB -0.182 69.011 68.868 0.543 0.000 0.878 151 T HN 0.138 nan 8.240 nan 0.000 0.509 152 L N 0.151 121.457 121.223 0.139 0.000 2.130 152 L HA 0.345 4.685 4.340 -0.000 0.000 0.200 152 L C 2.216 179.011 176.870 -0.125 0.000 1.075 152 L CA 1.315 56.023 54.840 -0.220 0.000 0.768 152 L CB -0.738 41.008 42.059 -0.522 0.000 0.933 152 L HN 0.232 nan 8.230 nan 0.000 0.451 153 L N -0.425 120.752 121.223 -0.077 0.000 2.010 153 L HA -0.344 3.996 4.340 -0.000 0.000 0.219 153 L C 2.526 179.333 176.870 -0.105 0.000 1.077 153 L CA 2.091 56.875 54.840 -0.093 0.000 0.773 153 L CB -0.639 41.373 42.059 -0.078 0.000 0.892 153 L HN 0.328 nan 8.230 nan 0.000 0.436 154 I N -0.855 119.672 120.570 -0.072 0.000 2.044 154 I HA -0.423 3.747 4.170 -0.000 0.000 0.234 154 I C 2.710 178.798 176.117 -0.048 0.000 1.031 154 I CA 1.913 63.169 61.300 -0.073 0.000 1.305 154 I CB -0.512 37.453 38.000 -0.059 0.000 1.026 154 I HN 0.213 nan 8.210 nan 0.000 0.392 155 S N -0.321 115.369 115.700 -0.016 0.000 2.488 155 S HA -0.239 4.230 4.470 -0.000 0.000 0.246 155 S C 1.780 176.371 174.600 -0.015 0.000 0.992 155 S CA 1.705 59.913 58.200 0.015 0.000 0.963 155 S CB -0.234 63.012 63.200 0.077 0.000 0.754 155 S HN 0.213 nan 8.310 nan 0.000 0.519 156 K N -0.036 120.332 120.400 -0.053 0.000 2.348 156 K HA 0.376 4.696 4.320 -0.000 0.000 0.194 156 K C 1.369 177.942 176.600 -0.044 0.000 1.052 156 K CA 0.386 56.638 56.287 -0.058 0.000 1.004 156 K CB -0.167 32.276 32.500 -0.095 0.000 0.873 156 K HN 0.320 nan 8.250 nan 0.000 0.523 157 I N 0.318 120.834 120.570 -0.090 0.000 2.852 157 I HA 0.078 4.248 4.170 -0.000 0.000 0.264 157 I C 1.280 177.432 176.117 0.058 0.000 1.179 157 I CA 0.127 61.336 61.300 -0.153 0.000 1.480 157 I CB -0.006 37.710 38.000 -0.474 0.000 1.111 157 I HN 0.012 nan 8.210 nan 0.000 0.441 158 R N 1.486 122.011 120.500 0.041 0.000 2.983 158 R HA -0.002 4.338 4.340 -0.000 0.000 0.241 158 R C 0.413 176.775 176.300 0.104 0.000 1.202 158 R CA 0.211 56.364 56.100 0.088 0.000 1.080 158 R CB -0.261 30.067 30.300 0.046 0.000 1.019 158 R HN 0.194 nan 8.270 nan 0.000 0.527 159 E N -0.065 120.183 120.200 0.080 0.000 2.186 159 E HA -0.326 4.024 4.350 -0.000 0.000 0.219 159 E C 0.123 176.760 176.600 0.063 0.000 1.380 159 E CA 1.011 57.448 56.400 0.061 0.000 0.712 159 E CB -0.394 29.333 29.700 0.045 0.000 1.120 159 E HN 0.506 nan 8.360 nan 0.000 0.354 160 E N -1.365 118.897 120.200 0.103 0.000 2.714 160 E HA 0.009 4.359 4.350 -0.000 0.000 0.240 160 E C -0.192 176.438 176.600 0.051 0.000 1.102 160 E CA 0.236 56.682 56.400 0.076 0.000 1.758 160 E CB 0.365 30.154 29.700 0.148 0.000 2.849 160 E HN 0.291 nan 8.360 nan 0.000 1.071 161 Y N 2.698 123.039 120.300 0.069 0.000 2.781 161 Y HA 0.274 4.824 4.550 -0.000 0.000 0.326 161 Y C -1.768 174.179 175.900 0.077 0.000 1.019 161 Y CA -1.654 56.511 58.100 0.107 0.000 1.372 161 Y CB 0.551 39.155 38.460 0.240 0.000 1.260 161 Y HN 0.129 nan 8.280 nan 0.000 0.546 162 P HA -0.354 nan 4.420 nan 0.000 0.212 162 P C 1.406 178.763 177.300 0.096 0.000 1.128 162 P CA 2.380 65.542 63.100 0.104 0.000 0.961 162 P CB 0.147 31.883 31.700 0.060 0.000 0.782 163 D N 0.476 120.920 120.400 0.073 0.000 2.472 163 D HA -0.237 4.403 4.640 -0.000 0.000 0.194 163 D C 0.539 176.870 176.300 0.052 0.000 1.023 163 D CA 1.565 55.596 54.000 0.052 0.000 0.869 163 D CB -1.188 39.638 40.800 0.043 0.000 0.997 163 D HN 0.072 nan 8.370 nan 0.000 0.463 164 R N 0.704 121.254 120.500 0.084 0.000 2.566 164 R HA 0.056 4.396 4.340 -0.000 0.000 0.273 164 R C 0.393 176.694 176.300 0.000 0.000 0.981 164 R CA -0.161 55.955 56.100 0.025 0.000 1.091 164 R CB -0.137 30.177 30.300 0.023 0.000 0.924 164 R HN 0.413 nan 8.270 nan 0.000 0.411 165 I N 3.836 124.372 120.570 -0.056 0.000 2.395 165 I HA 0.150 4.319 4.170 -0.000 0.000 0.289 165 I C 0.713 176.785 176.117 -0.075 0.000 1.023 165 I CA -0.632 60.635 61.300 -0.055 0.000 1.350 165 I CB 1.034 39.000 38.000 -0.057 0.000 1.409 165 I HN 0.513 nan 8.210 nan 0.000 0.507 166 M N 7.129 126.699 119.600 -0.051 0.000 2.472 166 M HA 0.441 4.921 4.480 -0.000 0.000 0.331 166 M C -0.995 175.234 176.300 -0.118 0.000 1.170 166 M CA 0.094 55.369 55.300 -0.041 0.000 1.009 166 M CB 1.325 33.923 32.600 -0.004 0.000 1.672 166 M HN 0.453 nan 8.290 nan 0.000 0.453 167 N N 0.490 119.107 118.700 -0.140 0.000 2.380 167 N HA 0.794 5.534 4.740 -0.000 0.000 0.290 167 N C -1.896 173.437 175.510 -0.295 0.000 1.236 167 N CA -0.373 52.529 53.050 -0.247 0.000 0.780 167 N CB 2.395 40.742 38.487 -0.233 0.000 1.438 167 N HN 0.764 nan 8.380 nan 0.000 0.491 168 T N -1.620 112.690 114.554 -0.408 0.000 3.193 168 T HA 0.397 4.747 4.350 -0.000 0.000 0.332 168 T C -1.109 173.397 174.700 -0.323 0.000 1.208 168 T CA -0.487 61.397 62.100 -0.361 0.000 1.080 168 T CB 0.066 68.752 68.868 -0.304 0.000 1.180 168 T HN 0.200 nan 8.240 nan 0.000 0.469 169 F N 1.868 121.782 119.950 -0.060 0.000 2.987 169 F HA 0.395 4.922 4.527 -0.000 0.000 0.302 169 F C 1.144 176.968 175.800 0.040 0.000 1.221 169 F CA -0.775 57.239 58.000 0.023 0.000 1.307 169 F CB -0.205 38.771 39.000 -0.040 0.000 1.108 169 F HN 0.552 nan 8.300 nan 0.000 0.521 170 S N 0.421 116.242 115.700 0.203 0.000 2.558 170 S HA 0.162 4.631 4.470 -0.000 0.000 0.291 170 S C 0.174 174.898 174.600 0.208 0.000 1.306 170 S CA -0.320 58.068 58.200 0.313 0.000 1.056 170 S CB 1.013 64.412 63.200 0.333 0.000 0.836 170 S HN 0.060 nan 8.310 nan 0.000 0.504 171 V N 4.019 124.025 119.914 0.152 0.000 2.357 171 V HA 0.254 4.374 4.120 -0.000 0.000 0.284 171 V C -0.001 176.091 176.094 -0.002 0.000 1.018 171 V CA -0.691 61.644 62.300 0.058 0.000 0.841 171 V CB 1.598 33.441 31.823 0.034 0.000 0.991 171 V HN 0.687 nan 8.190 nan 0.000 0.437 172 V N 8.593 128.485 119.914 -0.037 0.000 2.530 172 V HA 0.253 4.372 4.120 -0.000 0.000 0.282 172 V C -1.747 174.310 176.094 -0.062 0.000 1.048 172 V CA -1.625 60.623 62.300 -0.087 0.000 0.997 172 V CB 1.734 33.460 31.823 -0.161 0.000 0.987 172 V HN 0.753 nan 8.190 nan 0.000 0.477 173 P HA -0.018 nan 4.420 nan 0.000 0.260 173 P C 0.095 177.386 177.300 -0.015 0.000 1.207 173 P CA 0.378 63.459 63.100 -0.031 0.000 0.780 173 P CB 0.506 32.179 31.700 -0.044 0.000 0.789 174 S N 5.271 120.997 115.700 0.042 0.000 2.642 174 S HA -0.036 4.434 4.470 -0.000 0.000 0.308 174 S C -1.121 173.478 174.600 -0.002 0.000 1.255 174 S CA -0.676 57.563 58.200 0.065 0.000 1.057 174 S CB -0.392 62.954 63.200 0.243 0.000 0.785 174 S HN 0.296 nan 8.310 nan 0.000 0.500 175 P HA -0.129 nan 4.420 nan 0.000 0.223 175 P C 1.018 178.274 177.300 -0.074 0.000 1.140 175 P CA 1.070 64.135 63.100 -0.058 0.000 0.783 175 P CB 0.086 31.750 31.700 -0.060 0.000 0.759 176 K N -0.827 119.512 120.400 -0.101 0.000 2.074 176 K HA -0.087 4.233 4.320 -0.000 0.000 0.209 176 K C 0.225 176.774 176.600 -0.085 0.000 1.048 176 K CA 1.041 57.234 56.287 -0.157 0.000 0.926 176 K CB -0.479 31.844 32.500 -0.294 0.000 0.713 176 K HN -0.087 nan 8.250 nan 0.000 0.444 177 V N 0.976 120.865 119.914 -0.042 0.000 3.699 177 V HA -0.171 3.949 4.120 -0.000 0.000 0.431 177 V C -0.355 175.740 176.094 0.002 0.000 0.673 177 V CA 0.337 62.623 62.300 -0.022 0.000 1.870 177 V CB -1.562 30.242 31.823 -0.031 0.000 2.310 177 V HN 0.430 nan 8.190 nan 0.000 0.488 178 S N 2.728 118.442 115.700 0.023 0.000 2.578 178 S HA 0.687 5.157 4.470 -0.000 0.000 0.283 178 S C -0.234 174.390 174.600 0.040 0.000 1.195 178 S CA 0.486 58.710 58.200 0.041 0.000 1.050 178 S CB 1.271 64.504 63.200 0.055 0.000 1.012 178 S HN 1.167 nan 8.310 nan 0.000 0.511 179 D N 1.355 121.787 120.400 0.053 0.000 10.616 179 D HA -0.129 4.511 4.640 -0.000 0.000 0.332 179 D C 0.704 177.018 176.300 0.023 0.000 3.007 179 D CA 1.310 55.346 54.000 0.060 0.000 2.638 179 D CB -0.078 40.772 40.800 0.083 0.000 1.132 179 D HN 0.621 nan 8.370 nan 0.000 0.895 180 T N -0.715 113.856 114.554 0.028 0.000 3.155 180 T HA -0.017 4.333 4.350 -0.000 0.000 0.264 180 T C 1.339 175.879 174.700 -0.266 0.000 1.160 180 T CA 0.552 62.624 62.100 -0.048 0.000 1.075 180 T CB 0.285 69.246 68.868 0.155 0.000 0.921 180 T HN 0.315 nan 8.240 nan 0.000 0.533 181 V N 0.016 119.861 119.914 -0.115 0.000 3.484 181 V HA 0.259 4.379 4.120 -0.000 0.000 0.252 181 V C 1.045 177.201 176.094 0.103 0.000 1.282 181 V CA 0.041 62.304 62.300 -0.061 0.000 1.104 181 V CB 0.606 32.448 31.823 0.032 0.000 0.868 181 V HN 0.244 nan 8.190 nan 0.000 0.457 182 V N 2.867 122.844 119.914 0.105 0.000 1.907 182 V HA 0.167 4.287 4.120 -0.000 0.000 0.245 182 V C 0.928 177.040 176.094 0.030 0.000 1.731 182 V CA 1.497 63.863 62.300 0.109 0.000 1.661 182 V CB -0.810 31.047 31.823 0.056 0.000 1.567 182 V HN 0.671 nan 8.190 nan 0.000 0.502 183 E N 2.023 122.230 120.200 0.011 0.000 2.428 183 E HA 0.005 4.355 4.350 -0.000 0.000 0.285 183 E C -1.765 174.728 176.600 -0.177 0.000 1.083 183 E CA 0.549 56.895 56.400 -0.090 0.000 2.109 183 E CB -0.640 28.988 29.700 -0.120 0.000 2.554 183 E HN 0.413 nan 8.360 nan 0.000 1.108 184 P HA -0.089 nan 4.420 nan 0.000 0.234 184 P C 1.149 178.247 177.300 -0.336 0.000 1.162 184 P CA 0.790 63.521 63.100 -0.615 0.000 0.759 184 P CB -0.293 30.253 31.700 -1.923 0.000 0.813 185 Y N 2.969 123.125 120.300 -0.240 0.000 2.392 185 Y HA -0.184 4.366 4.550 -0.000 0.000 0.249 185 Y C 2.607 178.262 175.900 -0.408 0.000 1.032 185 Y CA 1.351 59.327 58.100 -0.207 0.000 1.040 185 Y CB -0.655 37.756 38.460 -0.082 0.000 1.029 185 Y HN -0.058 nan 8.280 nan 0.000 0.470 186 N N 1.146 119.825 118.700 -0.034 0.000 2.242 186 N HA -0.291 4.449 4.740 -0.000 0.000 0.193 186 N C 1.586 176.898 175.510 -0.330 0.000 1.000 186 N CA 1.410 54.342 53.050 -0.197 0.000 0.885 186 N CB -1.050 37.345 38.487 -0.152 0.000 0.988 186 N HN 0.431 nan 8.380 nan 0.000 0.444 187 A N -0.059 122.497 122.820 -0.439 0.000 2.186 187 A HA -0.084 4.236 4.320 -0.000 0.000 0.219 187 A C 2.108 179.206 177.584 -0.811 0.000 1.159 187 A CA 1.694 53.359 52.037 -0.619 0.000 0.680 187 A CB -0.645 17.854 19.000 -0.836 0.000 0.787 187 A HN 0.445 nan 8.150 nan 0.000 0.467 188 T N -1.616 112.429 114.554 -0.850 0.000 3.092 188 T HA 0.424 4.774 4.350 -0.000 0.000 0.258 188 T C 1.151 175.326 174.700 -0.876 0.000 1.031 188 T CA 0.083 61.608 62.100 -0.958 0.000 0.925 188 T CB -0.351 67.791 68.868 -1.210 0.000 1.036 188 T HN 0.349 nan 8.240 nan 0.000 0.544 189 L N -0.357 120.592 121.223 -0.456 0.000 2.435 189 L HA 0.281 4.621 4.340 -0.000 0.000 0.195 189 L C 2.079 179.096 176.870 0.246 0.000 1.072 189 L CA 0.215 55.078 54.840 0.039 0.000 0.833 189 L CB -0.173 41.899 42.059 0.022 0.000 1.081 189 L HN 0.044 nan 8.230 nan 0.000 0.485 190 S N 0.292 116.035 115.700 0.072 0.000 2.894 190 S HA -0.012 4.458 4.470 -0.000 0.000 0.231 190 S C 1.231 175.876 174.600 0.075 0.000 0.971 190 S CA 0.197 58.486 58.200 0.149 0.000 1.005 190 S CB -0.226 63.060 63.200 0.143 0.000 0.799 190 S HN 0.125 nan 8.310 nan 0.000 0.527 191 V N 1.487 121.461 119.914 0.101 0.000 3.578 191 V HA 0.134 4.254 4.120 -0.000 0.000 0.290 191 V C 1.171 177.380 176.094 0.191 0.000 1.376 191 V CA 0.540 62.849 62.300 0.016 0.000 1.083 191 V CB -0.422 31.300 31.823 -0.169 0.000 0.911 191 V HN 0.790 nan 8.190 nan 0.000 0.433 192 H N -2.436 116.675 119.070 0.068 0.000 3.170 192 H HA 0.026 4.582 4.556 -0.000 0.000 0.215 192 H C 1.175 176.583 175.328 0.133 0.000 1.055 192 H CA 0.097 56.211 56.048 0.109 0.000 0.998 192 H CB -0.321 29.530 29.762 0.149 0.000 1.059 192 H HN 0.324 nan 8.280 nan 0.000 0.700 193 Q N 2.315 122.155 119.800 0.067 0.000 2.319 193 Q HA 0.136 4.476 4.340 -0.000 0.000 0.217 193 Q C 0.545 176.641 176.000 0.159 0.000 0.924 193 Q CA 0.779 56.587 55.803 0.007 0.000 0.964 193 Q CB -0.413 28.413 28.738 0.148 0.000 1.025 193 Q HN 0.751 nan 8.270 nan 0.000 0.465 194 L N -3.172 118.129 121.223 0.130 0.000 4.269 194 L HA 0.157 4.497 4.340 -0.000 0.000 0.423 194 L C -0.048 176.865 176.870 0.072 0.000 1.158 194 L CA -0.029 54.882 54.840 0.117 0.000 1.472 194 L CB -0.073 42.197 42.059 0.351 0.000 1.521 194 L HN -0.020 nan 8.230 nan 0.000 0.603 195 V N -4.046 115.913 119.914 0.076 0.000 3.432 195 V HA 0.534 4.654 4.120 -0.000 0.000 0.290 195 V C -0.093 176.043 176.094 0.069 0.000 1.591 195 V CA 0.324 62.668 62.300 0.073 0.000 1.069 195 V CB 0.675 32.558 31.823 0.100 0.000 0.892 195 V HN 0.275 nan 8.190 nan 0.000 0.436 196 E N 1.096 121.322 120.200 0.044 0.000 2.359 196 E HA 0.449 4.799 4.350 -0.000 0.000 0.266 196 E C -0.261 176.325 176.600 -0.023 0.000 0.920 196 E CA -0.937 55.480 56.400 0.027 0.000 0.788 196 E CB 1.341 31.056 29.700 0.024 0.000 1.279 196 E HN 0.240 nan 8.360 nan 0.000 0.438 197 N N 0.901 119.593 118.700 -0.014 0.000 1.916 197 N HA -0.147 4.593 4.740 -0.000 0.000 0.307 197 N C -0.525 174.938 175.510 -0.078 0.000 1.322 197 N CA 1.541 54.574 53.050 -0.030 0.000 0.808 197 N CB 0.035 38.519 38.487 -0.006 0.000 1.056 197 N HN 0.513 nan 8.380 nan 0.000 0.499 198 T N 0.922 115.411 114.554 -0.108 0.000 5.377 198 T HA -0.009 4.341 4.350 -0.000 0.000 0.333 198 T C 0.110 174.673 174.700 -0.228 0.000 0.912 198 T CA -0.218 61.772 62.100 -0.183 0.000 0.401 198 T CB -0.639 68.111 68.868 -0.196 0.000 0.499 198 T HN 0.434 nan 8.240 nan 0.000 0.234 199 D N 1.514 121.818 120.400 -0.160 0.000 2.315 199 D HA -0.116 4.524 4.640 -0.000 0.000 0.198 199 D C 0.735 176.896 176.300 -0.230 0.000 1.010 199 D CA 1.445 55.355 54.000 -0.151 0.000 0.911 199 D CB 0.278 41.022 40.800 -0.093 0.000 0.897 199 D HN 0.737 nan 8.370 nan 0.000 0.455 200 E N -1.159 118.862 120.200 -0.298 0.000 2.347 200 E HA 0.301 4.651 4.350 -0.000 0.000 0.285 200 E C -1.639 174.629 176.600 -0.554 0.000 0.925 200 E CA -0.297 55.836 56.400 -0.446 0.000 0.779 200 E CB 2.113 31.669 29.700 -0.238 0.000 1.233 200 E HN -0.071 nan 8.360 nan 0.000 0.414 201 T N 3.384 117.458 114.554 -0.799 0.000 3.548 201 T HA 0.367 4.717 4.350 -0.000 0.000 0.329 201 T C -1.253 173.095 174.700 -0.587 0.000 0.960 201 T CA -0.446 61.252 62.100 -0.669 0.000 1.041 201 T CB -0.021 68.548 68.868 -0.498 0.000 1.065 201 T HN 0.313 nan 8.240 nan 0.000 0.459 202 Y N 2.293 122.556 120.300 -0.062 0.000 2.335 202 Y HA 0.507 5.057 4.550 -0.000 0.000 0.348 202 Y C 1.302 177.307 175.900 0.174 0.000 1.280 202 Y CA -0.304 57.910 58.100 0.190 0.000 1.504 202 Y CB 0.497 39.153 38.460 0.326 0.000 1.366 202 Y HN 0.896 nan 8.280 nan 0.000 0.621 203 C N 1.727 121.237 119.300 0.350 0.000 2.832 203 C HA 0.724 5.184 4.460 -0.000 0.000 0.383 203 C C -0.981 174.091 174.990 0.137 0.000 1.046 203 C CA -1.127 58.024 59.018 0.221 0.000 1.242 203 C CB -1.022 26.833 27.740 0.192 0.000 1.693 203 C HN 0.719 nan 8.230 nan 0.000 0.497 204 I N 3.117 123.745 120.570 0.098 0.000 2.577 204 I HA 0.528 4.698 4.170 -0.000 0.000 0.305 204 I C -0.359 175.757 176.117 -0.003 0.000 0.986 204 I CA 0.272 61.595 61.300 0.039 0.000 1.189 204 I CB 1.612 39.627 38.000 0.024 0.000 1.355 204 I HN 0.804 nan 8.210 nan 0.000 0.476 205 D N 2.851 123.242 120.400 -0.014 0.000 2.420 205 D HA 0.249 4.889 4.640 -0.000 0.000 0.255 205 D C 0.391 176.700 176.300 0.015 0.000 1.185 205 D CA -0.453 53.534 54.000 -0.022 0.000 0.904 205 D CB 0.601 41.374 40.800 -0.045 0.000 1.102 205 D HN 0.399 nan 8.370 nan 0.000 0.534 206 N N 2.088 120.802 118.700 0.024 0.000 2.242 206 N HA -0.272 4.467 4.740 -0.000 0.000 0.191 206 N C 1.311 176.952 175.510 0.217 0.000 1.005 206 N CA 1.394 54.474 53.050 0.049 0.000 0.877 206 N CB 0.078 38.590 38.487 0.042 0.000 0.983 206 N HN 0.572 nan 8.380 nan 0.000 0.439 207 E N 0.909 121.228 120.200 0.199 0.000 2.013 207 E HA -0.194 4.156 4.350 -0.000 0.000 0.202 207 E C 1.899 178.623 176.600 0.207 0.000 1.018 207 E CA 1.798 58.319 56.400 0.202 0.000 0.834 207 E CB -0.612 29.119 29.700 0.051 0.000 0.770 207 E HN 0.325 nan 8.360 nan 0.000 0.459 208 A N 0.586 123.466 122.820 0.100 0.000 1.997 208 A HA -0.222 4.098 4.320 -0.000 0.000 0.221 208 A C 2.399 180.038 177.584 0.091 0.000 1.172 208 A CA 1.919 53.999 52.037 0.073 0.000 0.645 208 A CB -0.915 18.100 19.000 0.025 0.000 0.813 208 A HN 0.397 nan 8.150 nan 0.000 0.454 209 L N -2.554 118.717 121.223 0.080 0.000 2.027 209 L HA -0.189 4.151 4.340 -0.000 0.000 0.206 209 L C 2.593 179.503 176.870 0.067 0.000 1.074 209 L CA 1.522 56.379 54.840 0.028 0.000 0.745 209 L CB -0.894 41.129 42.059 -0.060 0.000 0.898 209 L HN 0.468 nan 8.230 nan 0.000 0.433 210 Y N 0.987 121.295 120.300 0.014 0.000 2.036 210 Y HA -0.327 4.223 4.550 -0.000 0.000 0.273 210 Y C 2.501 178.453 175.900 0.088 0.000 1.135 210 Y CA 1.625 59.734 58.100 0.015 0.000 1.106 210 Y CB -0.755 37.685 38.460 -0.034 0.000 0.976 210 Y HN 0.203 nan 8.280 nan 0.000 0.483 211 D N 0.157 120.750 120.400 0.321 0.000 2.286 211 D HA -0.252 4.388 4.640 -0.000 0.000 0.195 211 D C 1.974 178.401 176.300 0.211 0.000 1.012 211 D CA 1.820 55.989 54.000 0.282 0.000 0.901 211 D CB -0.520 40.385 40.800 0.175 0.000 0.903 211 D HN 0.394 nan 8.370 nan 0.000 0.451 212 I N 0.073 120.734 120.570 0.151 0.000 2.277 212 I HA -0.183 3.987 4.170 -0.000 0.000 0.243 212 I C 1.455 177.639 176.117 0.112 0.000 1.094 212 I CA 0.650 62.009 61.300 0.098 0.000 1.393 212 I CB -0.088 37.954 38.000 0.071 0.000 1.078 212 I HN 0.076 nan 8.210 nan 0.000 0.417 213 C N 0.554 119.935 119.300 0.135 0.000 2.511 213 C HA 0.018 4.478 4.460 -0.000 0.000 0.300 213 C C 1.466 176.599 174.990 0.237 0.000 1.393 213 C CA -0.079 59.019 59.018 0.132 0.000 1.637 213 C CB -2.228 25.565 27.740 0.088 0.000 1.637 213 C HN 0.557 nan 8.230 nan 0.000 0.595 214 F N 0.520 120.492 119.950 0.037 0.000 1.855 214 F HA 0.283 4.810 4.527 -0.000 0.000 0.228 214 F C 1.723 177.532 175.800 0.016 0.000 1.236 214 F CA 0.021 58.041 58.000 0.033 0.000 1.308 214 F CB -0.343 38.690 39.000 0.054 0.000 1.877 214 F HN -0.329 nan 8.300 nan 0.000 0.272 215 R N 1.064 121.500 120.500 -0.106 0.000 2.303 215 R HA 0.003 4.343 4.340 -0.000 0.000 0.225 215 R C 1.088 177.296 176.300 -0.153 0.000 1.114 215 R CA 1.611 57.564 56.100 -0.244 0.000 1.007 215 R CB -1.343 28.923 30.300 -0.057 0.000 0.861 215 R HN 0.724 nan 8.270 nan 0.000 0.471 216 T N -3.519 110.987 114.554 -0.080 0.000 3.384 216 T HA 0.145 4.495 4.350 -0.000 0.000 0.151 216 T C 0.691 175.359 174.700 -0.054 0.000 0.896 216 T CA -0.487 61.568 62.100 -0.076 0.000 0.896 216 T CB -0.545 68.291 68.868 -0.053 0.000 1.319 216 T HN 0.022 nan 8.240 nan 0.000 0.293 217 L N 3.751 124.966 121.223 -0.013 0.000 2.473 217 L HA 0.283 4.623 4.340 -0.000 0.000 0.280 217 L C 0.921 177.801 176.870 0.017 0.000 1.266 217 L CA -0.318 54.525 54.840 0.005 0.000 0.824 217 L CB 0.167 42.248 42.059 0.036 0.000 1.091 217 L HN 0.710 nan 8.230 nan 0.000 0.534 218 K N 2.266 122.679 120.400 0.021 0.000 2.863 218 K HA 0.451 4.771 4.320 -0.000 0.000 0.304 218 K C -0.866 175.777 176.600 0.070 0.000 1.015 218 K CA -0.433 55.876 56.287 0.035 0.000 1.093 218 K CB -0.054 32.459 32.500 0.022 0.000 1.345 218 K HN 0.728 nan 8.250 nan 0.000 0.500 219 L N 0.243 121.508 121.223 0.070 0.000 1.391 219 L HA -0.144 4.196 4.340 -0.000 0.000 0.578 219 L C 0.633 177.570 176.870 0.111 0.000 0.998 219 L CA 0.214 55.099 54.840 0.075 0.000 1.230 219 L CB -1.083 41.017 42.059 0.068 0.000 2.087 219 L HN 1.039 nan 8.230 nan 0.000 1.081 220 T N -2.606 111.998 114.554 0.083 0.000 3.098 220 T HA 0.062 4.412 4.350 -0.000 0.000 0.266 220 T C 0.620 175.359 174.700 0.065 0.000 1.145 220 T CA 1.353 63.507 62.100 0.091 0.000 1.092 220 T CB 0.019 68.923 68.868 0.061 0.000 0.908 220 T HN 0.623 nan 8.240 nan 0.000 0.526 221 T N 2.250 116.835 114.554 0.053 0.000 3.128 221 T HA 0.388 4.738 4.350 -0.000 0.000 0.363 221 T C -3.272 171.443 174.700 0.025 0.000 1.610 221 T CA -1.160 60.957 62.100 0.029 0.000 1.126 221 T CB 2.581 71.458 68.868 0.016 0.000 1.416 221 T HN -0.087 nan 8.240 nan 0.000 0.480 222 P HA 0.312 nan 4.420 nan 0.000 0.285 222 P C -0.227 177.044 177.300 -0.049 0.000 1.448 222 P CA -0.252 62.834 63.100 -0.023 0.000 0.953 222 P CB 0.808 32.476 31.700 -0.053 0.000 1.175 223 T N 1.504 116.040 114.554 -0.031 0.000 2.900 223 T HA 0.131 4.480 4.350 -0.000 0.000 0.307 223 T C 1.645 176.318 174.700 -0.046 0.000 1.065 223 T CA 0.260 62.342 62.100 -0.029 0.000 1.105 223 T CB -0.061 68.797 68.868 -0.016 0.000 0.979 223 T HN 0.392 nan 8.240 nan 0.000 0.544 224 Y N 1.031 121.304 120.300 -0.044 0.000 2.556 224 Y HA 0.113 4.663 4.550 -0.000 0.000 0.290 224 Y C 2.340 178.226 175.900 -0.023 0.000 1.149 224 Y CA 0.915 58.985 58.100 -0.049 0.000 1.329 224 Y CB -1.042 37.398 38.460 -0.033 0.000 0.975 224 Y HN 0.914 nan 8.280 nan 0.000 0.561 225 G N -1.099 107.693 108.800 -0.014 0.000 3.210 225 G HA2 0.225 4.185 3.960 -0.000 0.000 0.220 225 G HA3 0.225 4.185 3.960 -0.000 0.000 0.220 225 G C 0.548 175.442 174.900 -0.009 0.000 1.200 225 G CA 0.798 45.898 45.100 0.000 0.000 0.834 225 G HN 0.582 nan 8.290 nan 0.000 0.524 226 D N -0.527 119.863 120.400 -0.016 0.000 3.118 226 D HA -0.017 4.623 4.640 -0.000 0.000 0.222 226 D C 1.600 177.895 176.300 -0.009 0.000 1.470 226 D CA -0.403 53.588 54.000 -0.015 0.000 1.347 226 D CB -0.321 40.464 40.800 -0.025 0.000 1.221 226 D HN 0.128 nan 8.370 nan 0.000 0.326 227 L N 1.616 122.801 121.223 -0.064 0.000 3.301 227 L HA 0.084 4.424 4.340 -0.000 0.000 0.269 227 L C 0.693 177.512 176.870 -0.085 0.000 1.240 227 L CA 0.839 55.612 54.840 -0.112 0.000 1.038 227 L CB -0.787 41.118 42.059 -0.256 0.000 1.406 227 L HN 0.093 nan 8.230 nan 0.000 0.409 228 N N -3.134 115.549 118.700 -0.028 0.000 1.983 228 N HA -0.131 4.609 4.740 -0.000 0.000 0.234 228 N C 1.385 176.891 175.510 -0.007 0.000 1.339 228 N CA -0.056 52.977 53.050 -0.027 0.000 0.826 228 N CB 0.029 38.509 38.487 -0.012 0.000 1.156 228 N HN 0.391 nan 8.380 nan 0.000 0.468 229 H N 1.800 120.827 119.070 -0.072 0.000 2.254 229 H HA -0.092 4.463 4.556 -0.000 0.000 0.294 229 H C 1.851 177.097 175.328 -0.137 0.000 1.071 229 H CA 2.358 58.357 56.048 -0.082 0.000 1.228 229 H CB -0.340 29.384 29.762 -0.064 0.000 1.358 229 H HN 0.060 nan 8.280 nan 0.000 0.495 230 L N -0.142 120.992 121.223 -0.149 0.000 2.064 230 L HA -0.232 4.108 4.340 -0.000 0.000 0.216 230 L C 2.845 179.538 176.870 -0.294 0.000 1.077 230 L CA 1.548 56.225 54.840 -0.272 0.000 0.766 230 L CB -1.234 40.756 42.059 -0.115 0.000 0.890 230 L HN 0.216 nan 8.230 nan 0.000 0.435 231 V N -1.410 118.387 119.914 -0.196 0.000 2.439 231 V HA -0.336 3.784 4.120 -0.000 0.000 0.253 231 V C 2.374 178.298 176.094 -0.283 0.000 1.074 231 V CA 2.126 64.305 62.300 -0.202 0.000 1.076 231 V CB -0.725 31.014 31.823 -0.141 0.000 0.664 231 V HN 0.484 nan 8.190 nan 0.000 0.461 232 S N -0.694 114.842 115.700 -0.274 0.000 2.468 232 S HA 0.243 4.713 4.470 -0.000 0.000 0.226 232 S C 1.917 176.351 174.600 -0.277 0.000 1.051 232 S CA 0.639 58.703 58.200 -0.227 0.000 0.943 232 S CB 0.046 63.189 63.200 -0.095 0.000 0.810 232 S HN 0.590 nan 8.310 nan 0.000 0.509 233 A N 1.078 123.611 122.820 -0.477 0.000 2.255 233 A HA 0.121 4.441 4.320 -0.000 0.000 0.206 233 A C 1.596 178.735 177.584 -0.742 0.000 1.193 233 A CA 0.936 52.604 52.037 -0.615 0.000 0.794 233 A CB -0.563 17.921 19.000 -0.859 0.000 0.794 233 A HN 0.408 nan 8.150 nan 0.000 0.481 234 T N -1.464 112.793 114.554 -0.495 0.000 3.026 234 T HA 0.144 4.494 4.350 -0.000 0.000 0.245 234 T C 1.920 176.472 174.700 -0.246 0.000 1.004 234 T CA 0.401 62.308 62.100 -0.323 0.000 1.069 234 T CB -0.101 68.620 68.868 -0.246 0.000 1.005 234 T HN 0.345 nan 8.240 nan 0.000 0.472 235 M N 1.922 121.302 119.600 -0.367 0.000 2.077 235 M HA -0.086 4.394 4.480 -0.000 0.000 0.261 235 M C 2.813 179.027 176.300 -0.143 0.000 1.070 235 M CA 1.733 56.715 55.300 -0.530 0.000 1.125 235 M CB -0.547 31.324 32.600 -1.215 0.000 1.339 235 M HN 0.382 nan 8.290 nan 0.000 0.409 236 S N 0.338 116.110 115.700 0.119 0.000 2.380 236 S HA -0.148 4.322 4.470 -0.000 0.000 0.229 236 S C 1.845 176.421 174.600 -0.039 0.000 1.043 236 S CA 1.522 59.757 58.200 0.057 0.000 1.038 236 S CB -1.583 61.546 63.200 -0.117 0.000 0.872 236 S HN 0.592 nan 8.310 nan 0.000 0.456 237 G N -0.294 108.489 108.800 -0.027 0.000 2.916 237 G HA2 0.292 4.252 3.960 -0.000 0.000 0.205 237 G HA3 0.292 4.252 3.960 -0.000 0.000 0.205 237 G C 0.787 175.694 174.900 0.011 0.000 1.163 237 G CA 0.696 45.829 45.100 0.055 0.000 0.821 237 G HN 0.611 nan 8.290 nan 0.000 0.515 238 V N -1.414 118.475 119.914 -0.042 0.000 3.213 238 V HA 0.027 4.147 4.120 -0.000 0.000 0.260 238 V C 1.923 177.999 176.094 -0.030 0.000 1.663 238 V CA 0.889 63.143 62.300 -0.076 0.000 1.026 238 V CB 0.085 31.770 31.823 -0.230 0.000 0.874 238 V HN 0.239 nan 8.190 nan 0.000 0.410 239 T N 1.267 115.821 114.554 0.000 0.000 4.593 239 T HA -0.079 4.271 4.350 -0.000 0.000 0.208 239 T C 2.034 176.684 174.700 -0.084 0.000 0.748 239 T CA 1.571 63.697 62.100 0.043 0.000 2.311 239 T CB -0.800 68.166 68.868 0.163 0.000 1.788 239 T HN 0.546 nan 8.240 nan 0.000 0.291 240 T N 0.237 114.649 114.554 -0.237 0.000 2.924 240 T HA -0.230 4.120 4.350 -0.000 0.000 0.256 240 T C 1.357 175.762 174.700 -0.491 0.000 1.033 240 T CA 1.095 62.903 62.100 -0.486 0.000 1.165 240 T CB -1.910 66.497 68.868 -0.767 0.000 0.814 240 T HN 0.496 nan 8.240 nan 0.000 0.509 241 C N 0.445 119.647 119.300 -0.163 0.000 2.560 241 C HA 0.551 5.011 4.460 -0.000 0.000 0.334 241 C C 1.598 176.662 174.990 0.122 0.000 1.404 241 C CA -0.280 58.848 59.018 0.183 0.000 2.410 241 C CB 0.276 28.124 27.740 0.180 0.000 2.268 241 C HN 0.742 nan 8.230 nan 0.000 0.673 242 L N -0.028 121.286 121.223 0.152 0.000 4.269 242 L HA -0.262 4.077 4.340 -0.000 0.000 0.431 242 L C 1.169 178.091 176.870 0.086 0.000 1.139 242 L CA 1.560 56.455 54.840 0.092 0.000 0.982 242 L CB -0.629 41.465 42.059 0.058 0.000 1.915 242 L HN 0.847 nan 8.230 nan 0.000 1.015 243 R N -0.572 120.008 120.500 0.133 0.000 3.609 243 R HA 0.374 4.714 4.340 -0.000 0.000 0.149 243 R C 0.532 176.963 176.300 0.219 0.000 0.948 243 R CA 0.987 57.144 56.100 0.095 0.000 1.014 243 R CB -0.554 29.725 30.300 -0.036 0.000 1.404 243 R HN 0.430 nan 8.270 nan 0.000 0.493 244 F N 2.114 122.063 119.950 -0.001 0.000 2.384 244 F HA 0.437 4.964 4.527 -0.000 0.000 0.338 244 F C -1.507 174.304 175.800 0.018 0.000 1.103 244 F CA -2.402 55.604 58.000 0.011 0.000 1.157 244 F CB 0.312 39.321 39.000 0.016 0.000 1.167 244 F HN -0.072 nan 8.300 nan 0.000 0.529 245 P HA -0.368 nan 4.420 nan 0.000 0.250 245 P C 1.162 178.407 177.300 -0.092 0.000 0.758 245 P CA 2.813 65.883 63.100 -0.050 0.000 1.066 245 P CB -0.811 30.844 31.700 -0.076 0.000 0.792 246 G N -2.280 106.395 108.800 -0.210 0.000 2.578 246 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.313 246 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.313 246 G C -0.453 174.408 174.900 -0.065 0.000 1.324 246 G CA 0.631 45.642 45.100 -0.148 0.000 0.955 246 G HN 0.560 nan 8.290 nan 0.000 0.541 247 Q N 1.013 120.792 119.800 -0.035 0.000 2.307 247 Q HA 0.654 4.994 4.340 -0.000 0.000 0.259 247 Q C 1.417 177.408 176.000 -0.015 0.000 0.998 247 Q CA 0.443 56.231 55.803 -0.023 0.000 0.923 247 Q CB 0.466 29.194 28.738 -0.017 0.000 1.196 247 Q HN 0.747 nan 8.270 nan 0.000 0.416 248 L N 0.199 121.410 121.223 -0.021 0.000 6.519 248 L HA -0.454 3.886 4.340 -0.000 0.000 0.053 248 L C 0.689 177.553 176.870 -0.011 0.000 1.992 248 L CA 1.558 56.387 54.840 -0.019 0.000 1.661 248 L CB -1.162 40.887 42.059 -0.017 0.000 2.744 248 L HN 0.898 nan 8.230 nan 0.000 1.041 249 N N 0.873 119.571 118.700 -0.002 0.000 3.418 249 N HA 0.803 5.543 4.740 -0.000 0.000 0.316 249 N C -1.312 174.210 175.510 0.020 0.000 1.601 249 N CA 0.099 53.156 53.050 0.012 0.000 0.805 249 N CB 2.334 40.821 38.487 0.000 0.000 1.873 249 N HN 1.301 nan 8.380 nan 0.000 0.615 250 A N -0.501 122.334 122.820 0.026 0.000 2.549 250 A HA 0.415 4.735 4.320 -0.000 0.000 0.297 250 A C -1.868 175.733 177.584 0.027 0.000 0.983 250 A CA -0.292 51.761 52.037 0.026 0.000 0.654 250 A CB 0.425 19.447 19.000 0.037 0.000 1.319 250 A HN 0.980 nan 8.150 nan 0.000 0.428 251 D N -0.399 120.014 120.400 0.021 0.000 2.784 251 D HA 0.491 5.131 4.640 -0.000 0.000 0.256 251 D C -0.169 176.145 176.300 0.023 0.000 1.129 251 D CA -0.377 53.633 54.000 0.016 0.000 1.102 251 D CB 1.145 41.948 40.800 0.004 0.000 1.330 251 D HN 0.922 nan 8.370 nan 0.000 0.626 252 L N -0.306 120.925 121.223 0.014 0.000 2.928 252 L HA 0.373 4.712 4.340 -0.000 0.000 0.246 252 L C 1.196 178.074 176.870 0.013 0.000 1.239 252 L CA -0.077 54.777 54.840 0.023 0.000 1.035 252 L CB -0.341 41.724 42.059 0.011 0.000 1.360 252 L HN 0.370 nan 8.230 nan 0.000 0.529 253 R N -1.292 119.215 120.500 0.011 0.000 2.773 253 R HA 0.096 4.435 4.340 -0.000 0.000 0.196 253 R C 1.440 177.747 176.300 0.012 0.000 0.938 253 R CA -0.099 56.004 56.100 0.005 0.000 1.265 253 R CB 0.202 30.495 30.300 -0.012 0.000 1.668 253 R HN 0.123 nan 8.270 nan 0.000 0.583 254 K N 1.535 121.941 120.400 0.010 0.000 2.360 254 K HA -0.092 4.228 4.320 -0.000 0.000 0.201 254 K C 1.928 178.539 176.600 0.019 0.000 1.046 254 K CA 0.647 56.939 56.287 0.008 0.000 0.940 254 K CB -0.088 32.414 32.500 0.004 0.000 0.748 254 K HN 0.209 nan 8.250 nan 0.000 0.465 255 L N 0.392 121.634 121.223 0.033 0.000 1.961 255 L HA -0.201 4.139 4.340 -0.000 0.000 0.210 255 L C 2.173 179.093 176.870 0.083 0.000 1.072 255 L CA 1.553 56.424 54.840 0.052 0.000 0.749 255 L CB -0.504 41.602 42.059 0.079 0.000 0.889 255 L HN 0.130 nan 8.230 nan 0.000 0.432 256 A N -1.097 121.776 122.820 0.087 0.000 2.194 256 A HA -0.143 4.177 4.320 -0.000 0.000 0.220 256 A C 1.804 179.422 177.584 0.056 0.000 1.162 256 A CA 1.770 53.859 52.037 0.086 0.000 0.674 256 A CB -0.622 18.392 19.000 0.023 0.000 0.789 256 A HN 0.428 nan 8.150 nan 0.000 0.470 257 V N -0.756 119.181 119.914 0.038 0.000 3.565 257 V HA 0.033 4.153 4.120 -0.000 0.000 0.260 257 V C 1.816 177.919 176.094 0.015 0.000 1.231 257 V CA 1.101 63.410 62.300 0.014 0.000 1.100 257 V CB -0.484 31.338 31.823 -0.001 0.000 0.807 257 V HN 0.770 nan 8.190 nan 0.000 0.454 258 N N -0.177 118.542 118.700 0.030 0.000 2.250 258 N HA 0.033 4.773 4.740 -0.000 0.000 0.190 258 N C 1.281 176.823 175.510 0.053 0.000 1.116 258 N CA 0.316 53.378 53.050 0.020 0.000 0.881 258 N CB 0.483 38.973 38.487 0.004 0.000 1.006 258 N HN 0.265 nan 8.380 nan 0.000 0.491 259 M N 0.957 120.624 119.600 0.111 0.000 2.313 259 M HA 0.275 4.755 4.480 -0.000 0.000 0.273 259 M C -0.186 176.333 176.300 0.365 0.000 1.049 259 M CA 0.184 55.614 55.300 0.217 0.000 1.004 259 M CB 0.974 33.651 32.600 0.128 0.000 1.461 259 M HN -0.172 nan 8.290 nan 0.000 0.514 260 V N 1.771 121.809 119.914 0.206 0.000 2.315 260 V HA 0.208 4.328 4.120 -0.000 0.000 0.265 260 V C -1.749 174.379 176.094 0.057 0.000 1.019 260 V CA -0.732 61.653 62.300 0.142 0.000 0.824 260 V CB 1.126 32.979 31.823 0.050 0.000 1.072 260 V HN 0.086 nan 8.190 nan 0.000 0.448 261 P HA -0.027 nan 4.420 nan 0.000 0.218 261 P C -0.079 176.901 177.300 -0.534 0.000 1.148 261 P CA 1.417 64.406 63.100 -0.186 0.000 0.822 261 P CB 0.145 31.852 31.700 0.012 0.000 0.784 262 F N -2.709 117.248 119.950 0.012 0.000 2.603 262 F HA 0.352 4.879 4.527 -0.000 0.000 0.317 262 F C -1.409 174.329 175.800 -0.104 0.000 1.066 262 F CA -2.525 55.453 58.000 -0.036 0.000 0.941 262 F CB 0.503 39.491 39.000 -0.020 0.000 1.291 262 F HN -0.309 nan 8.300 nan 0.000 0.472 263 P HA -0.222 nan 4.420 nan 0.000 0.211 263 P C 0.920 178.212 177.300 -0.014 0.000 1.181 263 P CA 1.673 64.795 63.100 0.037 0.000 0.929 263 P CB 0.172 31.906 31.700 0.057 0.000 0.789 264 R N 0.833 121.325 120.500 -0.015 0.000 2.400 264 R HA 0.035 4.375 4.340 -0.000 0.000 0.207 264 R C 1.409 177.631 176.300 -0.130 0.000 1.192 264 R CA 0.014 56.091 56.100 -0.038 0.000 1.181 264 R CB -1.700 28.586 30.300 -0.023 0.000 0.947 264 R HN 0.423 nan 8.270 nan 0.000 0.479 265 L N -1.668 119.454 121.223 -0.169 0.000 5.859 265 L HA -0.327 4.013 4.340 -0.000 0.000 0.053 265 L C -0.285 176.257 176.870 -0.548 0.000 1.796 265 L CA 1.380 56.066 54.840 -0.256 0.000 1.897 265 L CB -0.849 41.071 42.059 -0.231 0.000 2.475 265 L HN 0.210 nan 8.230 nan 0.000 0.914 266 H N -1.926 117.170 119.070 0.043 0.000 3.121 266 H HA 0.480 5.036 4.556 -0.000 0.000 0.337 266 H C -1.374 173.985 175.328 0.053 0.000 1.198 266 H CA -0.786 55.431 56.048 0.281 0.000 1.274 266 H CB 0.730 30.623 29.762 0.218 0.000 1.954 266 H HN 0.424 nan 8.280 nan 0.000 0.531 267 F N 1.925 122.066 119.950 0.318 0.000 2.456 267 F HA 0.192 4.719 4.527 -0.000 0.000 0.358 267 F C 0.650 176.516 175.800 0.109 0.000 1.095 267 F CA -0.286 57.744 58.000 0.051 0.000 1.216 267 F CB 0.428 39.497 39.000 0.115 0.000 1.125 267 F HN 0.226 nan 8.300 nan 0.000 0.549 268 F N 2.797 122.857 119.950 0.184 0.000 2.418 268 F HA 0.254 4.781 4.527 -0.000 0.000 0.341 268 F C 0.471 176.414 175.800 0.239 0.000 1.120 268 F CA -1.091 57.040 58.000 0.218 0.000 1.232 268 F CB 0.472 39.586 39.000 0.189 0.000 1.175 268 F HN 0.297 nan 8.300 nan 0.000 0.569 269 M N 5.521 125.362 119.600 0.403 0.000 2.741 269 M HA 0.242 4.722 4.480 -0.000 0.000 0.283 269 M C -2.332 174.045 176.300 0.129 0.000 1.176 269 M CA -1.779 53.630 55.300 0.182 0.000 1.139 269 M CB 0.413 33.033 32.600 0.035 0.000 1.234 269 M HN 0.226 nan 8.290 nan 0.000 0.497 270 P HA 0.162 nan 4.420 nan 0.000 0.271 270 P C 0.084 177.429 177.300 0.074 0.000 1.233 270 P CA 0.263 63.472 63.100 0.182 0.000 0.795 270 P CB 0.744 32.552 31.700 0.181 0.000 0.936 271 G N 0.350 109.230 108.800 0.133 0.000 2.374 271 G HA2 0.217 4.177 3.960 -0.000 0.000 0.298 271 G HA3 0.217 4.177 3.960 -0.000 0.000 0.298 271 G C -0.764 174.267 174.900 0.218 0.000 2.674 271 G CA -0.606 44.567 45.100 0.123 0.000 0.775 271 G HN 0.398 nan 8.290 nan 0.000 0.437 272 F N 2.006 121.962 119.950 0.009 0.000 2.142 272 F HA 0.363 4.890 4.527 -0.000 0.000 0.262 272 F C 1.591 177.399 175.800 0.014 0.000 1.157 272 F CA 1.811 59.804 58.000 -0.011 0.000 1.267 272 F CB 0.845 39.830 39.000 -0.024 0.000 1.637 272 F HN 0.604 nan 8.300 nan 0.000 0.484 273 A N -0.884 121.824 122.820 -0.186 0.000 1.554 273 A HA 0.216 4.536 4.320 -0.000 0.000 0.198 273 A C -2.170 175.383 177.584 -0.052 0.000 1.649 273 A CA 0.146 52.116 52.037 -0.111 0.000 1.362 273 A CB -0.917 17.965 19.000 -0.197 0.000 1.254 273 A HN 0.409 nan 8.150 nan 0.000 0.492 274 P HA 0.136 nan 4.420 nan 0.000 0.238 274 P C 0.266 177.676 177.300 0.184 0.000 1.679 274 P CA 0.491 63.584 63.100 -0.011 0.000 1.080 274 P CB -0.283 31.348 31.700 -0.116 0.000 1.961 275 L N -0.421 120.928 121.223 0.211 0.000 2.221 275 L HA -0.032 4.308 4.340 -0.000 0.000 0.202 275 L C 1.713 178.668 176.870 0.141 0.000 1.074 275 L CA 0.715 55.688 54.840 0.221 0.000 0.795 275 L CB -1.426 40.740 42.059 0.180 0.000 0.960 275 L HN 0.150 nan 8.230 nan 0.000 0.458 276 T N -0.331 114.283 114.554 0.100 0.000 13.815 276 T HA -0.331 4.019 4.350 -0.000 0.000 0.419 276 T C 0.459 175.167 174.700 0.013 0.000 1.441 276 T CA 1.398 63.528 62.100 0.050 0.000 2.340 276 T CB -0.958 68.001 68.868 0.151 0.000 2.774 276 T HN 0.462 nan 8.240 nan 0.000 0.428 277 S N -0.963 114.763 115.700 0.044 0.000 2.684 277 S HA 0.402 4.872 4.470 -0.000 0.000 0.268 277 S C -0.297 174.327 174.600 0.040 0.000 0.982 277 S CA -0.687 57.530 58.200 0.029 0.000 0.949 277 S CB 0.876 64.078 63.200 0.002 0.000 1.213 277 S HN 0.644 nan 8.310 nan 0.000 0.468 278 R N 1.231 121.748 120.500 0.028 0.000 0.865 278 R HA 0.570 4.910 4.340 -0.000 0.000 0.047 278 R C 1.374 177.694 176.300 0.035 0.000 0.427 278 R CA 1.373 57.490 56.100 0.029 0.000 2.156 278 R CB -1.203 29.108 30.300 0.019 0.000 0.472 278 R HN 1.562 nan 8.270 nan 0.000 0.800 279 G N -0.914 107.903 108.800 0.029 0.000 2.953 279 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.421 279 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.421 279 G C -0.655 174.269 174.900 0.039 0.000 1.531 279 G CA 0.023 45.141 45.100 0.031 0.000 0.971 279 G HN 0.431 nan 8.290 nan 0.000 0.558 280 S N 1.417 117.140 115.700 0.037 0.000 3.355 280 S HA 0.183 4.653 4.470 -0.000 0.000 0.293 280 S C 0.972 175.605 174.600 0.055 0.000 1.197 280 S CA 0.250 58.473 58.200 0.040 0.000 1.117 280 S CB 0.136 63.355 63.200 0.032 0.000 1.587 280 S HN 0.565 nan 8.310 nan 0.000 0.536 281 Q N 2.485 122.325 119.800 0.067 0.000 2.430 281 Q HA -0.033 4.307 4.340 -0.000 0.000 0.263 281 Q C 0.495 176.551 176.000 0.093 0.000 1.319 281 Q CA 0.172 56.036 55.803 0.102 0.000 0.926 281 Q CB 0.008 28.812 28.738 0.111 0.000 1.522 281 Q HN 0.486 nan 8.270 nan 0.000 0.506 282 Q N 0.661 120.518 119.800 0.096 0.000 2.194 282 Q HA -0.003 4.337 4.340 -0.000 0.000 0.214 282 Q C -0.435 175.608 176.000 0.072 0.000 0.838 282 Q CA -0.184 55.655 55.803 0.060 0.000 0.972 282 Q CB 0.164 28.928 28.738 0.044 0.000 1.131 282 Q HN 0.619 nan 8.270 nan 0.000 0.498 283 Y N 2.078 122.388 120.300 0.016 0.000 2.643 283 Y HA 0.125 4.675 4.550 -0.000 0.000 0.353 283 Y C 0.336 176.247 175.900 0.018 0.000 1.257 283 Y CA 0.062 58.172 58.100 0.017 0.000 1.779 283 Y CB -0.470 38.001 38.460 0.019 0.000 1.495 283 Y HN 0.100 nan 8.280 nan 0.000 0.466 284 R N 3.078 123.446 120.500 -0.220 0.000 4.023 284 R HA -0.270 4.070 4.340 -0.000 0.000 0.368 284 R C 0.714 176.890 176.300 -0.207 0.000 1.187 284 R CA 0.904 56.843 56.100 -0.269 0.000 1.089 284 R CB -2.040 27.987 30.300 -0.455 0.000 1.574 284 R HN 1.226 nan 8.270 nan 0.000 0.564 285 A N 1.124 123.867 122.820 -0.128 0.000 2.049 285 A HA -0.157 4.163 4.320 -0.000 0.000 0.263 285 A C 0.985 178.525 177.584 -0.073 0.000 1.316 285 A CA 1.432 53.438 52.037 -0.052 0.000 0.759 285 A CB -1.823 17.165 19.000 -0.020 0.000 1.141 285 A HN 1.558 nan 8.150 nan 0.000 0.325 286 L N -1.510 119.645 121.223 -0.112 0.000 3.833 286 L HA -0.201 4.139 4.340 -0.000 0.000 0.447 286 L C 0.423 177.245 176.870 -0.079 0.000 1.213 286 L CA 0.904 55.692 54.840 -0.088 0.000 0.801 286 L CB -2.719 39.329 42.059 -0.019 0.000 1.676 286 L HN 1.518 nan 8.230 nan 0.000 0.883 287 T N -3.035 111.446 114.554 -0.122 0.000 2.946 287 T HA 0.333 4.683 4.350 -0.000 0.000 0.311 287 T C 1.594 176.271 174.700 -0.038 0.000 1.063 287 T CA -0.281 61.772 62.100 -0.078 0.000 1.139 287 T CB 1.597 70.409 68.868 -0.094 0.000 0.994 287 T HN 0.339 nan 8.240 nan 0.000 0.547 288 V N 2.909 122.812 119.914 -0.018 0.000 2.453 288 V HA -0.100 4.020 4.120 -0.000 0.000 0.252 288 V C -0.034 176.076 176.094 0.026 0.000 1.068 288 V CA 1.701 64.006 62.300 0.009 0.000 1.070 288 V CB -1.767 30.042 31.823 -0.024 0.000 0.664 288 V HN 0.864 nan 8.190 nan 0.000 0.461 289 P HA -0.053 nan 4.420 nan 0.000 0.245 289 P C 1.447 178.766 177.300 0.031 0.000 1.203 289 P CA 0.983 64.087 63.100 0.006 0.000 0.792 289 P CB 0.386 32.073 31.700 -0.021 0.000 0.997 290 E N 0.626 120.824 120.200 -0.003 0.000 2.047 290 E HA -0.117 4.233 4.350 -0.000 0.000 0.191 290 E C 1.939 178.565 176.600 0.043 0.000 0.987 290 E CA 0.735 57.111 56.400 -0.040 0.000 0.799 290 E CB -0.405 29.183 29.700 -0.188 0.000 0.752 290 E HN -0.042 nan 8.360 nan 0.000 0.449 291 L N 1.442 122.710 121.223 0.075 0.000 2.051 291 L HA -0.164 4.176 4.340 -0.000 0.000 0.214 291 L C 2.193 179.155 176.870 0.154 0.000 1.076 291 L CA 2.222 57.104 54.840 0.070 0.000 0.758 291 L CB -1.863 40.294 42.059 0.163 0.000 0.890 291 L HN 0.356 nan 8.230 nan 0.000 0.433 292 T N -3.055 111.670 114.554 0.284 0.000 3.667 292 T HA 0.201 4.551 4.350 -0.000 0.000 0.240 292 T C 0.984 175.797 174.700 0.189 0.000 0.919 292 T CA 0.131 62.408 62.100 0.296 0.000 0.928 292 T CB 0.560 69.558 68.868 0.216 0.000 1.151 292 T HN 0.238 nan 8.240 nan 0.000 0.644 293 Q N 0.209 120.127 119.800 0.198 0.000 1.885 293 Q HA 0.056 4.396 4.340 -0.000 0.000 0.159 293 Q C 1.444 177.574 176.000 0.217 0.000 0.688 293 Q CA 0.223 56.143 55.803 0.196 0.000 0.776 293 Q CB -0.612 28.204 28.738 0.131 0.000 1.171 293 Q HN 0.416 nan 8.270 nan 0.000 0.355 294 Q N 0.178 120.095 119.800 0.194 0.000 2.515 294 Q HA -0.092 4.248 4.340 -0.000 0.000 0.215 294 Q C 1.469 177.570 176.000 0.167 0.000 0.983 294 Q CA 1.491 57.434 55.803 0.234 0.000 0.905 294 Q CB 0.123 28.996 28.738 0.225 0.000 0.961 294 Q HN 0.521 nan 8.270 nan 0.000 0.503 295 M N -1.485 118.223 119.600 0.180 0.000 2.962 295 M HA 0.097 4.577 4.480 -0.000 0.000 0.242 295 M C 0.438 176.957 176.300 0.364 0.000 1.396 295 M CA 0.281 55.700 55.300 0.198 0.000 1.287 295 M CB 0.241 32.892 32.600 0.086 0.000 1.168 295 M HN 0.132 nan 8.290 nan 0.000 0.557 296 F N 2.550 122.704 119.950 0.339 0.000 2.664 296 F HA -0.121 4.406 4.527 -0.000 0.000 0.294 296 F C 0.411 176.387 175.800 0.294 0.000 1.305 296 F CA 0.932 59.246 58.000 0.523 0.000 1.473 296 F CB -0.419 38.779 39.000 0.331 0.000 1.118 296 F HN 0.186 nan 8.300 nan 0.000 0.600 297 D N -1.014 119.548 120.400 0.271 0.000 2.738 297 D HA 0.337 4.977 4.640 -0.000 0.000 0.237 297 D C 0.745 177.054 176.300 0.015 0.000 1.123 297 D CA -0.025 54.047 54.000 0.120 0.000 0.856 297 D CB 2.034 42.900 40.800 0.110 0.000 1.552 297 D HN -0.019 nan 8.370 nan 0.000 0.480 298 A N 3.355 126.152 122.820 -0.039 0.000 2.131 298 A HA -0.182 4.138 4.320 -0.000 0.000 0.220 298 A C 1.609 179.175 177.584 -0.030 0.000 1.158 298 A CA 1.363 53.361 52.037 -0.065 0.000 0.665 298 A CB -0.266 18.680 19.000 -0.089 0.000 0.795 298 A HN 0.612 nan 8.150 nan 0.000 0.460 299 K N -0.570 119.824 120.400 -0.010 0.000 2.504 299 K HA 0.024 4.344 4.320 -0.000 0.000 0.195 299 K C 0.751 177.356 176.600 0.008 0.000 1.036 299 K CA 0.744 57.027 56.287 -0.007 0.000 0.984 299 K CB 0.088 32.581 32.500 -0.011 0.000 0.788 299 K HN 0.353 nan 8.250 nan 0.000 0.488 300 N N 0.164 118.876 118.700 0.021 0.000 2.545 300 N HA 0.111 4.851 4.740 -0.000 0.000 0.283 300 N C -1.159 174.370 175.510 0.032 0.000 1.596 300 N CA 0.034 53.111 53.050 0.046 0.000 0.862 300 N CB 0.682 39.216 38.487 0.079 0.000 1.422 300 N HN -0.016 nan 8.380 nan 0.000 0.489 301 M N 0.834 120.424 119.600 -0.016 0.000 2.436 301 M HA 0.355 4.835 4.480 -0.000 0.000 0.331 301 M C 0.819 177.099 176.300 -0.032 0.000 1.135 301 M CA -0.453 54.805 55.300 -0.069 0.000 0.987 301 M CB 1.795 34.302 32.600 -0.154 0.000 1.687 301 M HN -0.080 nan 8.290 nan 0.000 0.445 302 M N 1.795 121.381 119.600 -0.023 0.000 2.581 302 M HA 0.177 4.657 4.480 -0.000 0.000 0.224 302 M C 0.794 177.087 176.300 -0.011 0.000 1.171 302 M CA 0.424 55.721 55.300 -0.005 0.000 0.993 302 M CB -0.233 32.371 32.600 0.008 0.000 1.685 302 M HN 0.817 nan 8.290 nan 0.000 0.479 303 A N -1.088 121.712 122.820 -0.033 0.000 2.377 303 A HA 0.715 5.035 4.320 -0.000 0.000 0.209 303 A C 0.921 178.475 177.584 -0.051 0.000 1.359 303 A CA 0.181 52.191 52.037 -0.044 0.000 1.026 303 A CB -0.031 18.938 19.000 -0.053 0.000 1.224 303 A HN 0.502 nan 8.150 nan 0.000 0.528 304 A N -0.979 121.812 122.820 -0.049 0.000 1.658 304 A HA -0.116 4.204 4.320 -0.000 0.000 0.220 304 A C 0.316 177.872 177.584 -0.046 0.000 1.266 304 A CA 0.827 52.839 52.037 -0.042 0.000 0.697 304 A CB -2.185 16.808 19.000 -0.012 0.000 1.180 304 A HN 1.303 nan 8.150 nan 0.000 0.226 305 C N 2.526 121.790 119.300 -0.060 0.000 3.327 305 C HA 0.283 4.743 4.460 -0.000 0.000 0.281 305 C C 0.273 175.243 174.990 -0.034 0.000 2.479 305 C CA 0.078 59.082 59.018 -0.024 0.000 1.427 305 C CB -0.581 27.141 27.740 -0.031 0.000 2.734 305 C HN 1.139 nan 8.230 nan 0.000 0.491 306 D N 2.677 122.996 120.400 -0.136 0.000 3.060 306 D HA -0.156 4.484 4.640 -0.000 0.000 0.209 306 D C -0.780 175.282 176.300 -0.397 0.000 1.232 306 D CA 0.612 54.403 54.000 -0.348 0.000 0.841 306 D CB 0.413 40.820 40.800 -0.655 0.000 0.863 306 D HN 0.324 nan 8.370 nan 0.000 0.389 307 P HA -0.192 nan 4.420 nan 0.000 0.217 307 P C 1.194 178.266 177.300 -0.381 0.000 1.148 307 P CA 0.722 63.621 63.100 -0.335 0.000 0.828 307 P CB 0.095 31.608 31.700 -0.311 0.000 0.783 308 R N -0.886 119.341 120.500 -0.455 0.000 2.416 308 R HA -0.084 4.256 4.340 -0.000 0.000 0.205 308 R C 1.920 178.151 176.300 -0.115 0.000 1.150 308 R CA 0.485 56.231 56.100 -0.590 0.000 1.139 308 R CB -1.291 28.723 30.300 -0.476 0.000 0.861 308 R HN 0.404 nan 8.270 nan 0.000 0.480 309 H N -2.370 116.705 119.070 0.009 0.000 2.272 309 H HA 0.305 4.861 4.556 -0.000 0.000 0.320 309 H C 0.909 176.335 175.328 0.164 0.000 1.072 309 H CA 1.289 57.391 56.048 0.090 0.000 1.458 309 H CB -0.522 29.247 29.762 0.011 0.000 1.456 309 H HN 0.221 nan 8.280 nan 0.000 0.551 310 G N 1.122 110.075 108.800 0.255 0.000 2.471 310 G HA2 0.431 4.391 3.960 -0.000 0.000 0.332 310 G HA3 0.431 4.391 3.960 -0.000 0.000 0.332 310 G C -0.082 174.912 174.900 0.157 0.000 1.176 310 G CA -0.722 44.492 45.100 0.191 0.000 0.949 310 G HN 0.164 nan 8.290 nan 0.000 0.488 311 R N -0.587 120.031 120.500 0.196 0.000 2.801 311 R HA 0.121 4.461 4.340 -0.000 0.000 0.273 311 R C -1.086 175.323 176.300 0.183 0.000 1.080 311 R CA -0.162 56.064 56.100 0.211 0.000 1.197 311 R CB -0.050 30.406 30.300 0.261 0.000 1.109 311 R HN 0.439 nan 8.270 nan 0.000 0.535 312 Y N 0.036 120.402 120.300 0.109 0.000 2.320 312 Y HA 0.192 4.742 4.550 -0.000 0.000 0.334 312 Y C 1.456 177.476 175.900 0.199 0.000 1.055 312 Y CA -0.747 57.467 58.100 0.191 0.000 1.143 312 Y CB 0.766 39.376 38.460 0.250 0.000 1.193 312 Y HN 0.337 nan 8.280 nan 0.000 0.477 313 L N 1.647 123.072 121.223 0.336 0.000 2.291 313 L HA 0.005 4.345 4.340 -0.000 0.000 0.214 313 L C 0.844 177.795 176.870 0.136 0.000 1.120 313 L CA 1.157 56.091 54.840 0.156 0.000 0.799 313 L CB -0.572 41.640 42.059 0.255 0.000 0.925 313 L HN 0.886 nan 8.230 nan 0.000 0.446 314 T N -3.872 110.846 114.554 0.274 0.000 2.700 314 T HA 0.668 5.018 4.350 -0.000 0.000 0.307 314 T C -1.084 173.775 174.700 0.265 0.000 1.580 314 T CA -0.615 61.610 62.100 0.209 0.000 0.992 314 T CB 1.582 70.536 68.868 0.145 0.000 1.577 314 T HN -0.172 nan 8.240 nan 0.000 0.496 315 V N -1.757 118.243 119.914 0.143 0.000 2.966 315 V HA 0.895 5.015 4.120 -0.000 0.000 0.288 315 V C -0.373 175.701 176.094 -0.033 0.000 1.380 315 V CA -0.838 61.513 62.300 0.084 0.000 0.966 315 V CB 0.918 32.759 31.823 0.030 0.000 1.115 315 V HN 1.744 nan 8.190 nan 0.000 0.436 316 A N 2.387 125.156 122.820 -0.085 0.000 2.355 316 A HA 1.077 5.397 4.320 -0.000 0.000 0.324 316 A C -0.000 177.499 177.584 -0.141 0.000 1.117 316 A CA -0.127 51.854 52.037 -0.093 0.000 0.785 316 A CB 1.758 20.703 19.000 -0.092 0.000 1.254 316 A HN 2.344 nan 8.150 nan 0.000 0.453 317 A N 0.402 123.170 122.820 -0.087 0.000 2.386 317 A HA 0.785 5.105 4.320 -0.000 0.000 0.308 317 A C -1.039 176.535 177.584 -0.016 0.000 1.128 317 A CA -0.564 51.419 52.037 -0.090 0.000 0.789 317 A CB 1.634 20.656 19.000 0.036 0.000 1.325 317 A HN 1.448 nan 8.150 nan 0.000 0.437 318 V N 1.449 121.333 119.914 -0.050 0.000 2.791 318 V HA 0.208 4.328 4.120 -0.000 0.000 0.258 318 V C -1.316 174.755 176.094 -0.037 0.000 0.875 318 V CA -0.229 62.075 62.300 0.006 0.000 0.922 318 V CB -0.024 31.798 31.823 -0.002 0.000 1.034 318 V HN 0.713 nan 8.190 nan 0.000 0.492 319 F N 3.032 122.962 119.950 -0.033 0.000 2.538 319 F HA 0.420 4.947 4.527 -0.000 0.000 0.371 319 F C 1.198 176.985 175.800 -0.020 0.000 1.087 319 F CA 0.501 58.477 58.000 -0.040 0.000 1.250 319 F CB 0.504 39.478 39.000 -0.042 0.000 1.110 319 F HN 0.280 nan 8.300 nan 0.000 0.570 320 R N 1.425 121.955 120.500 0.050 0.000 2.740 320 R HA 0.667 5.007 4.340 -0.000 0.000 0.282 320 R C -0.319 176.017 176.300 0.059 0.000 0.969 320 R CA -0.926 55.208 56.100 0.058 0.000 0.918 320 R CB 1.974 32.299 30.300 0.042 0.000 1.175 320 R HN 0.852 nan 8.270 nan 0.000 0.464 321 G N 2.766 111.601 108.800 0.058 0.000 2.929 321 G HA2 -0.213 3.746 3.960 -0.000 0.000 0.335 321 G HA3 -0.213 3.746 3.960 -0.000 0.000 0.335 321 G C -0.379 174.546 174.900 0.040 0.000 1.054 321 G CA -0.867 44.261 45.100 0.046 0.000 1.067 321 G HN 0.569 nan 8.290 nan 0.000 0.472 322 R N 1.099 121.612 120.500 0.022 0.000 2.870 322 R HA 0.103 4.443 4.340 -0.000 0.000 0.283 322 R C 0.791 177.096 176.300 0.009 0.000 0.805 322 R CA 0.847 56.952 56.100 0.009 0.000 1.110 322 R CB -0.111 30.187 30.300 -0.004 0.000 0.900 322 R HN 0.630 nan 8.270 nan 0.000 0.406 323 M N 0.261 119.862 119.600 0.003 0.000 2.790 323 M HA 0.001 4.481 4.480 -0.000 0.000 0.272 323 M C -0.183 176.096 176.300 -0.035 0.000 1.168 323 M CA -0.703 54.591 55.300 -0.009 0.000 0.829 323 M CB 2.253 34.857 32.600 0.006 0.000 1.675 323 M HN 0.515 nan 8.290 nan 0.000 0.505 324 S N 1.811 117.483 115.700 -0.046 0.000 3.350 324 S HA -0.084 4.386 4.470 -0.000 0.000 0.391 324 S C 1.269 175.809 174.600 -0.101 0.000 0.887 324 S CA 0.294 58.454 58.200 -0.066 0.000 2.009 324 S CB -0.306 62.856 63.200 -0.064 0.000 1.135 324 S HN 0.606 nan 8.310 nan 0.000 0.653 325 M N 3.231 122.774 119.600 -0.094 0.000 2.337 325 M HA -0.142 4.338 4.480 -0.000 0.000 0.261 325 M C 2.272 178.488 176.300 -0.140 0.000 1.067 325 M CA 1.229 56.455 55.300 -0.123 0.000 1.074 325 M CB -0.309 32.238 32.600 -0.088 0.000 1.395 325 M HN 0.521 nan 8.290 nan 0.000 0.431 326 K N 0.877 121.211 120.400 -0.112 0.000 1.973 326 K HA -0.149 4.171 4.320 -0.000 0.000 0.212 326 K C 1.670 178.191 176.600 -0.132 0.000 1.047 326 K CA 1.615 57.839 56.287 -0.105 0.000 0.937 326 K CB -0.569 31.883 32.500 -0.080 0.000 0.721 326 K HN 0.466 nan 8.250 nan 0.000 0.440 327 E N 0.536 120.657 120.200 -0.132 0.000 2.136 327 E HA -0.199 4.151 4.350 -0.000 0.000 0.202 327 E C 1.952 178.420 176.600 -0.220 0.000 1.019 327 E CA 1.555 57.867 56.400 -0.146 0.000 0.819 327 E CB -0.213 29.412 29.700 -0.126 0.000 0.739 327 E HN 0.034 nan 8.360 nan 0.000 0.458 328 V N 1.530 121.248 119.914 -0.327 0.000 2.490 328 V HA -0.233 3.887 4.120 -0.000 0.000 0.250 328 V C 1.208 177.079 176.094 -0.372 0.000 1.061 328 V CA 2.163 64.137 62.300 -0.545 0.000 1.064 328 V CB -0.433 30.944 31.823 -0.743 0.000 0.670 328 V HN 0.192 nan 8.190 nan 0.000 0.461 329 D N -0.757 119.498 120.400 -0.242 0.000 2.346 329 D HA -0.023 4.617 4.640 -0.000 0.000 0.206 329 D C 2.077 178.291 176.300 -0.145 0.000 1.001 329 D CA 0.373 54.270 54.000 -0.173 0.000 0.871 329 D CB 0.020 40.739 40.800 -0.135 0.000 0.943 329 D HN 0.482 nan 8.370 nan 0.000 0.518 330 E N -0.007 120.107 120.200 -0.144 0.000 2.299 330 E HA -0.040 4.310 4.350 -0.000 0.000 0.193 330 E C 1.609 178.143 176.600 -0.111 0.000 0.998 330 E CA 0.561 56.894 56.400 -0.112 0.000 0.851 330 E CB 0.260 29.901 29.700 -0.099 0.000 0.795 330 E HN 0.156 nan 8.360 nan 0.000 0.492 331 Q N -0.468 119.250 119.800 -0.136 0.000 2.390 331 Q HA 0.110 4.450 4.340 -0.000 0.000 0.216 331 Q C 2.041 177.975 176.000 -0.110 0.000 0.916 331 Q CA 0.407 56.144 55.803 -0.110 0.000 0.911 331 Q CB 0.270 28.946 28.738 -0.105 0.000 1.035 331 Q HN 0.246 nan 8.270 nan 0.000 0.541 332 M N 0.550 120.072 119.600 -0.130 0.000 2.213 332 M HA -0.105 4.375 4.480 -0.000 0.000 0.263 332 M C 2.092 178.298 176.300 -0.158 0.000 1.062 332 M CA 0.942 56.181 55.300 -0.101 0.000 1.105 332 M CB -0.895 31.660 32.600 -0.074 0.000 1.385 332 M HN 0.147 nan 8.290 nan 0.000 0.417 333 L N 0.627 121.758 121.223 -0.153 0.000 2.131 333 L HA -0.058 4.282 4.340 -0.000 0.000 0.206 333 L C 2.093 178.870 176.870 -0.154 0.000 1.087 333 L CA 1.485 56.225 54.840 -0.167 0.000 0.767 333 L CB -0.949 41.030 42.059 -0.133 0.000 0.917 333 L HN 0.313 nan 8.230 nan 0.000 0.441 334 N N 0.310 118.937 118.700 -0.123 0.000 2.058 334 N HA -0.252 4.488 4.740 -0.000 0.000 0.200 334 N C 1.668 177.122 175.510 -0.092 0.000 1.033 334 N CA 2.825 55.819 53.050 -0.093 0.000 0.880 334 N CB -0.339 38.100 38.487 -0.080 0.000 1.069 334 N HN 0.311 nan 8.380 nan 0.000 0.461 335 V N 0.888 120.720 119.914 -0.138 0.000 2.667 335 V HA -0.121 3.999 4.120 -0.000 0.000 0.252 335 V C 2.466 178.526 176.094 -0.057 0.000 1.065 335 V CA 1.520 63.741 62.300 -0.132 0.000 1.083 335 V CB -0.621 31.004 31.823 -0.331 0.000 0.692 335 V HN 0.367 nan 8.190 nan 0.000 0.468 336 Q N 1.070 120.744 119.800 -0.210 0.000 2.291 336 Q HA -0.111 4.229 4.340 -0.000 0.000 0.205 336 Q C 1.647 177.542 176.000 -0.175 0.000 0.970 336 Q CA 1.548 57.107 55.803 -0.408 0.000 0.876 336 Q CB -0.297 28.126 28.738 -0.524 0.000 0.935 336 Q HN 0.620 nan 8.270 nan 0.000 0.455 337 N N -0.679 117.966 118.700 -0.091 0.000 2.236 337 N HA 0.025 4.765 4.740 -0.000 0.000 0.196 337 N C 0.623 176.146 175.510 0.021 0.000 1.114 337 N CA 0.183 53.212 53.050 -0.034 0.000 0.859 337 N CB 0.397 38.855 38.487 -0.049 0.000 0.982 337 N HN 0.072 nan 8.380 nan 0.000 0.493 338 K N 1.701 122.127 120.400 0.044 0.000 2.165 338 K HA 0.183 4.503 4.320 -0.000 0.000 0.213 338 K C 0.066 176.756 176.600 0.151 0.000 1.036 338 K CA 0.790 57.122 56.287 0.074 0.000 0.981 338 K CB -0.571 31.955 32.500 0.044 0.000 1.059 338 K HN -0.158 nan 8.250 nan 0.000 0.457 339 N N 1.322 120.158 118.700 0.227 0.000 2.938 339 N HA -0.042 4.698 4.740 -0.000 0.000 0.286 339 N C 0.007 175.736 175.510 0.364 0.000 1.316 339 N CA 0.495 53.757 53.050 0.353 0.000 1.063 339 N CB -0.313 38.470 38.487 0.493 0.000 1.388 339 N HN 0.386 nan 8.380 nan 0.000 0.545 340 S N -1.447 114.403 115.700 0.250 0.000 2.547 340 S HA -0.208 4.262 4.470 -0.000 0.000 0.255 340 S C 1.457 176.141 174.600 0.140 0.000 0.977 340 S CA 1.089 59.425 58.200 0.228 0.000 0.960 340 S CB -0.454 62.823 63.200 0.128 0.000 0.746 340 S HN 0.412 nan 8.310 nan 0.000 0.532 341 S N -0.686 115.017 115.700 0.006 0.000 2.593 341 S HA 0.221 4.691 4.470 -0.000 0.000 0.217 341 S C -0.143 174.104 174.600 -0.588 0.000 0.966 341 S CA -0.468 57.536 58.200 -0.325 0.000 0.914 341 S CB -0.548 62.327 63.200 -0.542 0.000 0.776 341 S HN 0.708 nan 8.310 nan 0.000 0.523 342 Y N 0.476 120.831 120.300 0.092 0.000 2.473 342 Y HA 0.561 5.111 4.550 -0.000 0.000 0.345 342 Y C -0.922 174.822 175.900 -0.260 0.000 0.932 342 Y CA -1.358 56.728 58.100 -0.022 0.000 1.124 342 Y CB 0.045 38.483 38.460 -0.037 0.000 1.162 342 Y HN 0.115 nan 8.280 nan 0.000 0.629 343 F N -0.760 119.385 119.950 0.325 0.000 3.282 343 F HA 0.191 4.718 4.527 -0.000 0.000 0.398 343 F C 1.093 176.964 175.800 0.119 0.000 1.205 343 F CA -1.520 56.624 58.000 0.241 0.000 1.273 343 F CB 0.495 39.582 39.000 0.144 0.000 2.153 343 F HN 0.007 nan 8.300 nan 0.000 0.680 344 V N 0.024 120.087 119.914 0.248 0.000 2.406 344 V HA -0.429 3.691 4.120 -0.000 0.000 0.243 344 V C 1.320 177.506 176.094 0.153 0.000 1.103 344 V CA 2.687 65.080 62.300 0.155 0.000 1.094 344 V CB -0.884 30.625 31.823 -0.522 0.000 0.922 344 V HN 1.033 nan 8.190 nan 0.000 0.467 345 E N -0.010 120.169 120.200 -0.036 0.000 2.596 345 E HA -0.216 4.134 4.350 -0.000 0.000 0.272 345 E C -0.066 176.671 176.600 0.230 0.000 1.039 345 E CA 1.133 57.598 56.400 0.109 0.000 0.804 345 E CB -1.816 28.009 29.700 0.208 0.000 1.373 345 E HN 1.277 nan 8.360 nan 0.000 0.404 346 W N -0.598 120.743 121.300 0.069 0.000 1.479 346 W HA 0.415 5.075 4.660 -0.000 0.000 0.224 346 W C 0.076 176.611 176.519 0.027 0.000 0.799 346 W CA -0.397 56.970 57.345 0.037 0.000 1.149 346 W CB -0.222 29.252 29.460 0.023 0.000 0.935 346 W HN 0.057 nan 8.180 nan 0.000 0.454 347 I N 3.209 123.645 120.570 -0.223 0.000 2.698 347 I HA 0.233 4.403 4.170 -0.000 0.000 0.276 347 I C -2.292 173.755 176.117 -0.117 0.000 1.166 347 I CA -1.629 59.549 61.300 -0.203 0.000 1.101 347 I CB 1.292 39.074 38.000 -0.364 0.000 1.305 347 I HN -0.507 nan 8.210 nan 0.000 0.526 348 P HA -0.147 nan 4.420 nan 0.000 0.227 348 P C 0.235 177.497 177.300 -0.063 0.000 1.036 348 P CA 0.942 64.016 63.100 -0.044 0.000 1.080 348 P CB -0.185 31.502 31.700 -0.023 0.000 1.046 349 N N 3.241 121.891 118.700 -0.083 0.000 2.890 349 N HA -0.114 4.626 4.740 -0.000 0.000 0.257 349 N C -0.224 175.224 175.510 -0.103 0.000 1.111 349 N CA 0.369 53.358 53.050 -0.102 0.000 0.669 349 N CB -1.436 37.003 38.487 -0.080 0.000 0.950 349 N HN 0.548 nan 8.380 nan 0.000 0.568 350 N N -0.344 118.285 118.700 -0.119 0.000 2.482 350 N HA 0.151 4.890 4.740 -0.000 0.000 0.220 350 N C -0.232 175.238 175.510 -0.067 0.000 1.255 350 N CA -0.204 52.803 53.050 -0.072 0.000 0.850 350 N CB 0.302 38.781 38.487 -0.013 0.000 1.127 350 N HN 0.096 nan 8.380 nan 0.000 0.475 351 V N -0.306 119.542 119.914 -0.111 0.000 3.147 351 V HA 0.416 4.536 4.120 -0.000 0.000 0.299 351 V C -1.254 174.788 176.094 -0.087 0.000 1.302 351 V CA -1.115 61.123 62.300 -0.103 0.000 1.015 351 V CB 2.358 34.069 31.823 -0.187 0.000 1.086 351 V HN 0.200 nan 8.190 nan 0.000 0.437 352 K N 0.373 120.736 120.400 -0.061 0.000 2.557 352 K HA 0.705 5.025 4.320 -0.000 0.000 0.257 352 K C -0.741 175.843 176.600 -0.028 0.000 0.933 352 K CA -0.488 55.770 56.287 -0.049 0.000 0.820 352 K CB 2.133 34.610 32.500 -0.038 0.000 1.330 352 K HN 0.682 nan 8.250 nan 0.000 0.432 353 T N 0.739 115.281 114.554 -0.021 0.000 2.849 353 T HA 0.830 5.180 4.350 -0.000 0.000 0.276 353 T C -0.781 173.935 174.700 0.027 0.000 0.971 353 T CA -0.465 61.647 62.100 0.020 0.000 0.949 353 T CB 1.086 69.946 68.868 -0.013 0.000 1.093 353 T HN 0.670 nan 8.240 nan 0.000 0.545 354 A N 0.655 123.518 122.820 0.072 0.000 2.532 354 A HA 0.612 4.931 4.320 -0.000 0.000 0.296 354 A C -1.536 176.108 177.584 0.101 0.000 1.058 354 A CA -0.549 51.524 52.037 0.061 0.000 0.729 354 A CB 1.186 20.218 19.000 0.054 0.000 1.285 354 A HN 0.563 nan 8.150 nan 0.000 0.396 355 V N 0.901 120.852 119.914 0.062 0.000 2.487 355 V HA 0.455 4.575 4.120 -0.000 0.000 0.298 355 V C -0.310 175.808 176.094 0.039 0.000 1.028 355 V CA -0.372 61.968 62.300 0.066 0.000 0.860 355 V CB 1.486 33.316 31.823 0.012 0.000 0.991 355 V HN 1.041 nan 8.190 nan 0.000 0.427 356 C N 3.847 123.175 119.300 0.046 0.000 3.206 356 C HA 0.368 4.828 4.460 -0.000 0.000 0.206 356 C C 0.661 175.609 174.990 -0.070 0.000 1.836 356 C CA -0.782 58.234 59.018 -0.004 0.000 1.382 356 C CB -1.905 25.859 27.740 0.041 0.000 2.405 356 C HN 1.120 nan 8.230 nan 0.000 0.516 357 D N 1.142 121.508 120.400 -0.055 0.000 3.771 357 D HA -0.236 4.404 4.640 -0.000 0.000 0.145 357 D C 0.132 176.400 176.300 -0.054 0.000 0.892 357 D CA 1.469 55.426 54.000 -0.072 0.000 1.080 357 D CB -0.945 39.776 40.800 -0.131 0.000 0.498 357 D HN 0.341 nan 8.370 nan 0.000 0.499 358 I N 3.845 124.356 120.570 -0.099 0.000 3.214 358 I HA -0.064 4.106 4.170 -0.000 0.000 0.332 358 I C -1.393 174.746 176.117 0.037 0.000 1.225 358 I CA 0.471 61.746 61.300 -0.042 0.000 1.453 358 I CB -0.646 37.306 38.000 -0.080 0.000 1.321 358 I HN 0.170 nan 8.210 nan 0.000 0.518 359 P HA 0.502 nan 4.420 nan 0.000 0.287 359 P C -2.585 174.775 177.300 0.099 0.000 1.296 359 P CA -1.586 61.562 63.100 0.080 0.000 0.811 359 P CB 0.228 31.964 31.700 0.059 0.000 1.211 370 G N -0.041 108.814 108.800 0.093 0.000 4.719 370 G HA2 0.060 4.020 3.960 -0.000 0.000 0.220 370 G HA3 0.060 4.020 3.960 -0.000 0.000 0.220 370 G C -0.071 174.887 174.900 0.095 0.000 0.663 370 G CA -0.220 44.935 45.100 0.090 0.000 0.969 370 G HN 0.072 nan 8.290 nan 0.000 0.716 371 L N -0.195 121.085 121.223 0.094 0.000 2.577 371 L HA 0.375 4.715 4.340 -0.000 0.000 0.225 371 L C 1.868 178.768 176.870 0.049 0.000 1.053 371 L CA 1.166 56.053 54.840 0.078 0.000 0.866 371 L CB -0.411 41.698 42.059 0.082 0.000 1.132 371 L HN 0.205 nan 8.230 nan 0.000 0.486 372 K N -0.748 119.681 120.400 0.047 0.000 3.606 372 K HA -0.197 4.123 4.320 -0.000 0.000 0.289 372 K C 0.224 176.842 176.600 0.029 0.000 1.221 372 K CA 1.262 57.569 56.287 0.034 0.000 1.028 372 K CB -1.002 31.515 32.500 0.028 0.000 1.299 372 K HN 0.322 nan 8.250 nan 0.000 0.454 373 M N -0.314 119.300 119.600 0.023 0.000 2.484 373 M HA 0.131 4.610 4.480 -0.000 0.000 0.292 373 M C -1.472 174.798 176.300 -0.050 0.000 1.123 373 M CA -0.336 54.972 55.300 0.013 0.000 0.910 373 M CB 2.707 35.322 32.600 0.025 0.000 1.782 373 M HN 0.145 nan 8.290 nan 0.000 0.512 374 S N 0.914 116.548 115.700 -0.111 0.000 2.556 374 S HA 0.918 5.388 4.470 -0.000 0.000 0.280 374 S C -1.169 173.168 174.600 -0.439 0.000 1.141 374 S CA -0.604 57.395 58.200 -0.336 0.000 0.883 374 S CB 1.713 64.708 63.200 -0.342 0.000 1.103 374 S HN 1.003 nan 8.310 nan 0.000 0.453 375 A N 1.483 123.906 122.820 -0.662 0.000 2.452 375 A HA 1.015 5.335 4.320 -0.000 0.000 0.285 375 A C -0.232 177.083 177.584 -0.448 0.000 1.209 375 A CA -0.935 50.673 52.037 -0.714 0.000 0.940 375 A CB 0.979 19.386 19.000 -0.988 0.000 1.440 375 A HN 1.403 nan 8.150 nan 0.000 0.480 376 T N 0.142 114.518 114.554 -0.296 0.000 4.009 376 T HA 0.279 4.629 4.350 -0.000 0.000 0.323 376 T C -1.014 173.666 174.700 -0.034 0.000 0.760 376 T CA -0.287 61.779 62.100 -0.057 0.000 0.987 376 T CB -0.191 68.686 68.868 0.015 0.000 1.070 376 T HN 0.455 nan 8.240 nan 0.000 0.471 377 F N 3.603 123.481 119.950 -0.121 0.000 2.545 377 F HA 0.492 5.018 4.527 -0.000 0.000 0.348 377 F C 0.553 176.310 175.800 -0.071 0.000 1.163 377 F CA -0.511 57.401 58.000 -0.148 0.000 1.331 377 F CB 0.422 39.322 39.000 -0.168 0.000 1.138 377 F HN 0.415 nan 8.300 nan 0.000 0.602 378 I N 4.314 125.129 120.570 0.408 0.000 2.727 378 I HA 0.144 4.314 4.170 -0.000 0.000 0.262 378 I C -0.144 176.107 176.117 0.223 0.000 1.611 378 I CA -0.030 61.412 61.300 0.237 0.000 0.849 378 I CB 0.363 38.374 38.000 0.018 0.000 1.539 378 I HN 0.599 nan 8.210 nan 0.000 0.527 379 G N 1.488 110.586 108.800 0.496 0.000 2.448 379 G HA2 0.357 4.317 3.960 -0.000 0.000 0.324 379 G HA3 0.357 4.317 3.960 -0.000 0.000 0.324 379 G C -0.346 174.877 174.900 0.537 0.000 1.203 379 G CA -0.636 44.781 45.100 0.527 0.000 0.954 379 G HN 0.481 nan 8.290 nan 0.000 0.480 380 N N 0.669 119.697 118.700 0.545 0.000 3.188 380 N HA 0.226 4.966 4.740 -0.000 0.000 0.279 380 N C 0.182 175.958 175.510 0.443 0.000 1.213 380 N CA -0.312 53.079 53.050 0.568 0.000 1.138 380 N CB 0.237 39.073 38.487 0.582 0.000 1.417 380 N HN 0.343 nan 8.380 nan 0.000 0.526 381 S N 1.371 117.275 115.700 0.339 0.000 2.452 381 S HA 0.057 4.527 4.470 -0.000 0.000 0.284 381 S C 1.332 175.991 174.600 0.099 0.000 1.171 381 S CA -0.708 57.533 58.200 0.068 0.000 1.064 381 S CB 0.857 63.835 63.200 -0.370 0.000 0.967 381 S HN 0.508 nan 8.310 nan 0.000 0.484 382 T N 2.913 117.536 114.554 0.115 0.000 3.309 382 T HA 0.035 4.385 4.350 -0.000 0.000 0.265 382 T C 1.462 176.237 174.700 0.124 0.000 1.194 382 T CA 0.616 62.833 62.100 0.195 0.000 1.037 382 T CB -0.482 68.487 68.868 0.169 0.000 0.917 382 T HN 0.703 nan 8.240 nan 0.000 0.558 383 A N 1.150 123.996 122.820 0.042 0.000 2.030 383 A HA 0.352 4.671 4.320 -0.000 0.000 0.215 383 A C 2.033 179.624 177.584 0.011 0.000 1.164 383 A CA 0.117 52.180 52.037 0.043 0.000 0.697 383 A CB -0.498 18.485 19.000 -0.029 0.000 0.827 383 A HN 0.604 nan 8.150 nan 0.000 0.457 384 I N 0.018 120.587 120.570 -0.003 0.000 2.800 384 I HA -0.287 3.883 4.170 -0.000 0.000 0.266 384 I C 2.285 178.331 176.117 -0.118 0.000 1.249 384 I CA 1.670 62.935 61.300 -0.059 0.000 1.458 384 I CB -0.107 37.890 38.000 -0.004 0.000 1.093 384 I HN 0.527 nan 8.210 nan 0.000 0.466 385 Q N 1.671 121.396 119.800 -0.125 0.000 2.118 385 Q HA -0.316 4.024 4.340 -0.000 0.000 0.211 385 Q C 1.741 177.678 176.000 -0.106 0.000 0.998 385 Q CA 2.660 58.347 55.803 -0.194 0.000 0.872 385 Q CB -0.252 28.412 28.738 -0.124 0.000 0.925 385 Q HN 0.617 nan 8.270 nan 0.000 0.414 386 E N 0.117 120.264 120.200 -0.089 0.000 2.033 386 E HA -0.207 4.142 4.350 -0.000 0.000 0.199 386 E C 1.591 178.134 176.600 -0.095 0.000 1.011 386 E CA 1.255 57.606 56.400 -0.080 0.000 0.815 386 E CB -0.485 29.189 29.700 -0.043 0.000 0.755 386 E HN 0.435 nan 8.360 nan 0.000 0.451 387 L N 0.779 121.917 121.223 -0.142 0.000 2.962 387 L HA -0.116 4.224 4.340 -0.000 0.000 0.263 387 L C 0.340 176.987 176.870 -0.371 0.000 1.152 387 L CA 0.194 54.892 54.840 -0.236 0.000 0.954 387 L CB -0.068 41.827 42.059 -0.273 0.000 1.213 387 L HN 0.090 nan 8.230 nan 0.000 0.422 388 F N -1.496 118.298 119.950 -0.260 0.000 2.157 388 F HA 0.127 4.654 4.527 -0.000 0.000 0.277 388 F C 1.858 177.507 175.800 -0.251 0.000 0.904 388 F CA -0.172 57.637 58.000 -0.319 0.000 1.121 388 F CB 0.051 38.788 39.000 -0.439 0.000 1.195 388 F HN -0.149 nan 8.300 nan 0.000 0.726 389 K N 0.720 121.122 120.400 0.004 0.000 2.589 389 K HA -0.011 4.309 4.320 -0.000 0.000 0.192 389 K C 1.762 178.328 176.600 -0.055 0.000 1.029 389 K CA 0.344 56.598 56.287 -0.055 0.000 1.031 389 K CB 0.267 32.722 32.500 -0.075 0.000 0.821 389 K HN 0.065 nan 8.250 nan 0.000 0.502 390 R N 0.183 120.648 120.500 -0.058 0.000 2.033 390 R HA 0.049 4.389 4.340 -0.000 0.000 0.219 390 R C 1.167 177.421 176.300 -0.076 0.000 1.223 390 R CA 0.596 56.654 56.100 -0.070 0.000 0.971 390 R CB -0.501 29.747 30.300 -0.088 0.000 0.855 390 R HN 0.076 nan 8.270 nan 0.000 0.452 391 I N 2.328 122.842 120.570 -0.094 0.000 3.264 391 I HA -0.121 4.049 4.170 -0.000 0.000 0.310 391 I C 1.306 177.352 176.117 -0.119 0.000 1.072 391 I CA 0.783 62.012 61.300 -0.118 0.000 1.422 391 I CB -0.760 37.152 38.000 -0.147 0.000 1.068 391 I HN 0.245 nan 8.210 nan 0.000 0.635 392 S N -1.515 114.136 115.700 -0.081 0.000 2.590 392 S HA 0.191 4.661 4.470 -0.000 0.000 0.281 392 S C 0.867 175.451 174.600 -0.026 0.000 1.068 392 S CA -0.443 57.714 58.200 -0.072 0.000 1.193 392 S CB -0.054 63.097 63.200 -0.082 0.000 1.040 392 S HN 0.404 nan 8.310 nan 0.000 0.544 393 E N 1.198 121.380 120.200 -0.030 0.000 2.542 393 E HA 0.339 4.689 4.350 -0.000 0.000 0.224 393 E C 0.214 176.805 176.600 -0.014 0.000 1.110 393 E CA -0.111 56.279 56.400 -0.016 0.000 1.350 393 E CB 0.393 30.077 29.700 -0.027 0.000 1.302 393 E HN 0.522 nan 8.360 nan 0.000 0.435 394 Q N -1.112 118.686 119.800 -0.003 0.000 2.330 394 Q HA 0.096 4.436 4.340 -0.000 0.000 0.254 394 Q C 1.179 177.177 176.000 -0.004 0.000 0.777 394 Q CA -0.021 55.768 55.803 -0.023 0.000 0.972 394 Q CB 0.171 28.872 28.738 -0.061 0.000 1.236 394 Q HN 0.232 nan 8.270 nan 0.000 0.508 395 F N 2.421 122.274 119.950 -0.162 0.000 2.074 395 F HA -0.071 4.456 4.527 -0.000 0.000 0.290 395 F C 2.301 178.091 175.800 -0.018 0.000 1.118 395 F CA 1.820 59.736 58.000 -0.141 0.000 1.199 395 F CB -0.237 38.651 39.000 -0.187 0.000 1.012 395 F HN -0.074 nan 8.300 nan 0.000 0.472 396 T N -0.104 114.554 114.554 0.172 0.000 2.977 396 T HA -0.040 4.310 4.350 -0.000 0.000 0.271 396 T C 1.210 175.935 174.700 0.041 0.000 1.105 396 T CA 1.011 63.165 62.100 0.090 0.000 1.116 396 T CB -0.574 68.334 68.868 0.067 0.000 0.878 396 T HN 0.241 nan 8.240 nan 0.000 0.509 397 A N 0.305 123.144 122.820 0.032 0.000 3.159 397 A HA 0.770 5.089 4.320 -0.000 0.000 0.301 397 A C 0.628 178.219 177.584 0.012 0.000 1.271 397 A CA -0.469 51.576 52.037 0.014 0.000 0.998 397 A CB -0.266 18.737 19.000 0.005 0.000 1.101 397 A HN 0.429 nan 8.150 nan 0.000 0.610 398 M N -2.385 117.226 119.600 0.019 0.000 1.418 398 M HA 0.040 4.520 4.480 -0.000 0.000 0.569 398 M C -0.441 175.915 176.300 0.092 0.000 2.224 398 M CA -0.012 55.326 55.300 0.063 0.000 0.520 398 M CB -0.540 32.088 32.600 0.046 0.000 4.348 398 M HN 0.243 nan 8.290 nan 0.000 0.633 399 F N 2.179 121.941 119.950 -0.314 0.000 2.501 399 F HA -0.193 4.334 4.527 -0.000 0.000 0.291 399 F C 2.169 177.761 175.800 -0.347 0.000 1.109 399 F CA 1.675 59.384 58.000 -0.486 0.000 1.502 399 F CB -0.147 38.058 39.000 -1.324 0.000 1.120 399 F HN 0.353 nan 8.300 nan 0.000 0.619 400 R N -0.848 119.627 120.500 -0.043 0.000 2.769 400 R HA 0.057 4.397 4.340 -0.000 0.000 0.191 400 R C 2.073 178.367 176.300 -0.009 0.000 0.881 400 R CA -0.360 55.729 56.100 -0.017 0.000 1.133 400 R CB -0.063 30.253 30.300 0.027 0.000 1.607 400 R HN -0.138 nan 8.270 nan 0.000 0.613 401 R N 1.479 121.981 120.500 0.002 0.000 2.316 401 R HA -0.042 4.298 4.340 -0.000 0.000 0.232 401 R C 0.339 176.635 176.300 -0.008 0.000 1.137 401 R CA 1.435 57.537 56.100 0.003 0.000 1.012 401 R CB 0.045 30.353 30.300 0.013 0.000 0.859 401 R HN 0.317 nan 8.270 nan 0.000 0.474 402 K N -4.335 116.053 120.400 -0.021 0.000 2.995 402 K HA 0.219 4.539 4.320 -0.000 0.000 0.304 402 K C -1.291 175.251 176.600 -0.096 0.000 3.048 402 K CA 0.334 56.593 56.287 -0.048 0.000 1.611 402 K CB -0.219 32.260 32.500 -0.036 0.000 3.266 402 K HN 0.012 nan 8.250 nan 0.000 0.276 403 A N -0.138 122.630 122.820 -0.086 0.000 2.483 403 A HA 0.737 5.057 4.320 -0.000 0.000 0.294 403 A C -1.400 176.162 177.584 -0.036 0.000 1.077 403 A CA -0.080 51.851 52.037 -0.177 0.000 0.633 403 A CB 0.789 19.585 19.000 -0.339 0.000 1.318 403 A HN 0.596 nan 8.150 nan 0.000 0.455 404 F N -0.815 118.905 119.950 -0.384 0.000 3.493 404 F HA -0.009 4.518 4.527 -0.000 0.000 0.377 404 F C 1.091 176.605 175.800 -0.477 0.000 1.117 404 F CA 0.345 58.188 58.000 -0.261 0.000 0.629 404 F CB -0.075 38.990 39.000 0.107 0.000 1.945 404 F HN 0.593 nan 8.300 nan 0.000 0.431 405 L N 0.007 120.904 121.223 -0.544 0.000 2.376 405 L HA 0.107 4.447 4.340 -0.000 0.000 0.219 405 L C 0.467 177.269 176.870 -0.114 0.000 1.133 405 L CA 1.827 56.403 54.840 -0.441 0.000 0.816 405 L CB -2.284 39.488 42.059 -0.478 0.000 0.933 405 L HN 0.346 nan 8.230 nan 0.000 0.449 406 H N -1.311 117.671 119.070 -0.147 0.000 3.663 406 H HA -0.002 4.554 4.556 -0.000 0.000 0.250 406 H C 0.517 175.805 175.328 -0.067 0.000 1.363 406 H CA 0.171 56.139 56.048 -0.135 0.000 1.259 406 H CB -0.379 29.256 29.762 -0.212 0.000 1.435 406 H HN 0.521 nan 8.280 nan 0.000 0.692 407 W N -1.279 119.967 121.300 -0.090 0.000 1.952 407 W HA 0.004 4.664 4.660 -0.000 0.000 0.236 407 W C 0.075 176.382 176.519 -0.354 0.000 0.880 407 W CA -0.370 56.848 57.345 -0.212 0.000 1.095 407 W CB 0.733 30.038 29.460 -0.258 0.000 0.933 407 W HN 0.294 nan 8.180 nan 0.000 0.553 408 Y N -0.219 120.222 120.300 0.234 0.000 2.506 408 Y HA -0.003 4.547 4.550 -0.000 0.000 0.287 408 Y C 2.472 178.359 175.900 -0.021 0.000 1.147 408 Y CA 1.538 59.679 58.100 0.067 0.000 1.241 408 Y CB -0.902 37.541 38.460 -0.028 0.000 1.279 408 Y HN -0.328 nan 8.280 nan 0.000 0.527 409 T N -0.300 114.310 114.554 0.094 0.000 2.792 409 T HA -0.264 4.086 4.350 -0.000 0.000 0.268 409 T C 2.284 176.997 174.700 0.023 0.000 1.059 409 T CA 1.375 63.485 62.100 0.017 0.000 1.136 409 T CB -1.015 67.877 68.868 0.040 0.000 0.846 409 T HN 0.570 nan 8.240 nan 0.000 0.489 410 G N 1.577 110.419 108.800 0.070 0.000 2.513 410 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.219 410 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.219 410 G C 0.505 175.418 174.900 0.021 0.000 1.160 410 G CA 0.632 45.766 45.100 0.057 0.000 0.767 410 G HN 0.493 nan 8.290 nan 0.000 0.571 411 E N 0.453 120.664 120.200 0.019 0.000 2.028 411 E HA 0.474 4.824 4.350 -0.000 0.000 0.266 411 E C 1.115 177.659 176.600 -0.094 0.000 0.962 411 E CA 0.330 56.723 56.400 -0.011 0.000 0.784 411 E CB 0.558 30.274 29.700 0.026 0.000 1.114 411 E HN 0.376 nan 8.360 nan 0.000 0.414 412 G N 3.614 112.361 108.800 -0.088 0.000 2.700 412 G HA2 -0.454 3.506 3.960 -0.000 0.000 0.350 412 G HA3 -0.454 3.506 3.960 -0.000 0.000 0.350 412 G C 0.907 175.700 174.900 -0.178 0.000 1.250 412 G CA 0.608 45.629 45.100 -0.133 0.000 0.978 412 G HN 0.634 nan 8.290 nan 0.000 0.551 413 M N 0.302 119.719 119.600 -0.304 0.000 2.714 413 M HA -0.165 4.315 4.480 -0.000 0.000 0.175 413 M C 0.340 176.511 176.300 -0.215 0.000 0.618 413 M CA 1.383 56.497 55.300 -0.310 0.000 0.555 413 M CB -1.747 30.648 32.600 -0.341 0.000 2.027 413 M HN 0.666 nan 8.290 nan 0.000 0.556 414 D N 1.513 121.834 120.400 -0.133 0.000 2.474 414 D HA 0.011 4.651 4.640 -0.000 0.000 0.232 414 D C 1.004 177.250 176.300 -0.091 0.000 1.177 414 D CA 1.236 55.184 54.000 -0.088 0.000 0.876 414 D CB 0.530 41.301 40.800 -0.049 0.000 1.208 414 D HN 0.432 nan 8.370 nan 0.000 0.464 415 E N 0.016 120.174 120.200 -0.069 0.000 3.439 415 E HA -0.381 3.969 4.350 -0.000 0.000 0.385 415 E C 0.877 177.447 176.600 -0.051 0.000 1.557 415 E CA 2.037 58.408 56.400 -0.048 0.000 1.684 415 E CB -0.381 29.310 29.700 -0.014 0.000 1.677 415 E HN 0.457 nan 8.360 nan 0.000 0.455 416 M N -0.030 119.577 119.600 0.011 0.000 2.005 416 M HA -0.110 4.370 4.480 -0.000 0.000 0.087 416 M C 1.559 177.919 176.300 0.100 0.000 0.900 416 M CA 2.112 57.459 55.300 0.079 0.000 0.339 416 M CB -0.452 32.196 32.600 0.079 0.000 0.470 416 M HN 0.745 nan 8.290 nan 0.000 0.251 417 E N -1.892 118.393 120.200 0.143 0.000 3.680 417 E HA -0.261 4.089 4.350 -0.000 0.000 0.309 417 E C 0.565 177.425 176.600 0.433 0.000 0.793 417 E CA 2.025 58.540 56.400 0.192 0.000 1.083 417 E CB -1.601 28.152 29.700 0.088 0.000 1.548 417 E HN 0.627 nan 8.360 nan 0.000 0.456 418 F N -2.059 117.984 119.950 0.155 0.000 2.871 418 F HA 0.224 4.751 4.527 -0.000 0.000 0.344 418 F C 1.537 177.569 175.800 0.387 0.000 1.078 418 F CA 0.405 58.621 58.000 0.361 0.000 1.149 418 F CB 0.867 40.108 39.000 0.401 0.000 1.087 418 F HN 0.220 nan 8.300 nan 0.000 0.557 419 T N -3.190 111.579 114.554 0.358 0.000 2.987 419 T HA 0.008 4.357 4.350 -0.000 0.000 0.248 419 T C 1.301 176.074 174.700 0.123 0.000 0.997 419 T CA 0.098 62.333 62.100 0.224 0.000 1.013 419 T CB 0.167 69.135 68.868 0.167 0.000 1.077 419 T HN 0.127 nan 8.240 nan 0.000 0.483 420 E N 1.333 121.600 120.200 0.112 0.000 2.435 420 E HA 0.234 4.584 4.350 -0.000 0.000 0.195 420 E C 1.972 178.593 176.600 0.034 0.000 1.029 420 E CA 0.545 56.984 56.400 0.066 0.000 0.865 420 E CB -0.072 29.671 29.700 0.072 0.000 0.833 420 E HN 0.563 nan 8.360 nan 0.000 0.510 421 A N 0.367 123.206 122.820 0.032 0.000 2.095 421 A HA 0.016 4.336 4.320 -0.000 0.000 0.212 421 A C 1.823 179.305 177.584 -0.170 0.000 1.162 421 A CA 0.446 52.430 52.037 -0.088 0.000 0.753 421 A CB -0.000 18.921 19.000 -0.132 0.000 0.840 421 A HN 0.251 nan 8.150 nan 0.000 0.468 422 E N -0.287 119.874 120.200 -0.064 0.000 2.318 422 E HA 0.009 4.359 4.350 -0.000 0.000 0.193 422 E C 0.894 177.470 176.600 -0.041 0.000 0.998 422 E CA 0.592 56.956 56.400 -0.060 0.000 0.859 422 E CB 0.093 29.877 29.700 0.141 0.000 0.812 422 E HN 0.397 nan 8.360 nan 0.000 0.492 423 S N 0.000 115.692 115.700 -0.014 0.000 3.149 423 S HA 0.186 4.655 4.470 -0.000 0.000 0.228 423 S C -0.057 174.523 174.600 -0.033 0.000 1.393 423 S CA -0.053 58.139 58.200 -0.014 0.000 1.224 423 S CB -0.581 62.626 63.200 0.011 0.000 1.112 423 S HN 0.406 nan 8.310 nan 0.000 0.502 424 N N 0.547 119.206 118.700 -0.069 0.000 2.734 424 N HA 0.059 4.799 4.740 -0.000 0.000 0.364 424 N C 1.314 176.745 175.510 -0.132 0.000 0.794 424 N CA -0.154 52.851 53.050 -0.075 0.000 1.726 424 N CB -0.513 37.940 38.487 -0.057 0.000 0.886 424 N HN 0.297 nan 8.380 nan 0.000 1.702 425 M N 1.795 121.291 119.600 -0.173 0.000 2.337 425 M HA -0.085 4.395 4.480 -0.000 0.000 0.261 425 M C 1.083 177.216 176.300 -0.277 0.000 1.067 425 M CA 1.516 56.655 55.300 -0.268 0.000 1.074 425 M CB -0.868 31.586 32.600 -0.243 0.000 1.395 425 M HN 0.329 nan 8.290 nan 0.000 0.431 426 N N 0.363 118.949 118.700 -0.190 0.000 2.270 426 N HA -0.145 4.595 4.740 -0.000 0.000 0.181 426 N C 0.871 176.293 175.510 -0.147 0.000 1.016 426 N CA 1.210 54.169 53.050 -0.153 0.000 0.870 426 N CB 0.006 38.437 38.487 -0.094 0.000 0.979 426 N HN 0.365 nan 8.380 nan 0.000 0.431 427 D N 1.500 121.822 120.400 -0.130 0.000 2.137 427 D HA -0.177 4.463 4.640 -0.000 0.000 0.189 427 D C 2.016 178.247 176.300 -0.114 0.000 0.998 427 D CA 0.758 54.697 54.000 -0.103 0.000 0.839 427 D CB -0.666 40.087 40.800 -0.079 0.000 0.962 427 D HN 0.051 nan 8.370 nan 0.000 0.446 428 L N 0.529 121.662 121.223 -0.149 0.000 2.230 428 L HA -0.283 4.057 4.340 -0.000 0.000 0.223 428 L C 2.507 179.343 176.870 -0.056 0.000 1.091 428 L CA 1.130 55.922 54.840 -0.080 0.000 0.807 428 L CB -1.225 40.582 42.059 -0.420 0.000 0.896 428 L HN -0.006 nan 8.230 nan 0.000 0.445 429 V N -0.991 118.833 119.914 -0.150 0.000 2.218 429 V HA -0.412 3.708 4.120 -0.000 0.000 0.251 429 V C 2.407 178.464 176.094 -0.062 0.000 1.057 429 V CA 2.319 64.553 62.300 -0.110 0.000 1.022 429 V CB -0.913 30.848 31.823 -0.103 0.000 0.645 429 V HN 0.542 nan 8.190 nan 0.000 0.451 430 S N -0.691 114.967 115.700 -0.070 0.000 2.354 430 S HA -0.219 4.251 4.470 -0.000 0.000 0.219 430 S C 1.805 176.341 174.600 -0.107 0.000 1.035 430 S CA 1.633 59.786 58.200 -0.078 0.000 1.037 430 S CB -0.500 62.656 63.200 -0.073 0.000 0.956 430 S HN 0.670 nan 8.310 nan 0.000 0.428 431 E N 0.799 120.937 120.200 -0.102 0.000 2.063 431 E HA -0.246 4.104 4.350 -0.000 0.000 0.221 431 E C 1.909 178.337 176.600 -0.286 0.000 1.052 431 E CA 1.831 58.122 56.400 -0.181 0.000 0.891 431 E CB -0.887 28.764 29.700 -0.082 0.000 0.792 431 E HN 0.572 nan 8.360 nan 0.000 0.482 432 Y N 1.540 121.693 120.300 -0.246 0.000 2.102 432 Y HA -0.227 4.323 4.550 -0.000 0.000 0.280 432 Y C 2.666 178.398 175.900 -0.280 0.000 1.178 432 Y CA 1.778 59.713 58.100 -0.276 0.000 1.146 432 Y CB -0.426 37.926 38.460 -0.180 0.000 0.968 432 Y HN 0.101 nan 8.280 nan 0.000 0.504 433 Q N 0.300 120.075 119.800 -0.041 0.000 2.515 433 Q HA -0.196 4.144 4.340 -0.000 0.000 0.215 433 Q C 1.669 177.600 176.000 -0.116 0.000 0.983 433 Q CA 1.189 56.954 55.803 -0.063 0.000 0.905 433 Q CB -0.383 28.321 28.738 -0.057 0.000 0.961 433 Q HN 0.688 nan 8.270 nan 0.000 0.503 434 Q N -1.266 118.369 119.800 -0.276 0.000 2.435 434 Q HA -0.072 4.268 4.340 -0.000 0.000 0.207 434 Q C 0.399 176.337 176.000 -0.104 0.000 0.956 434 Q CA 0.697 56.327 55.803 -0.289 0.000 0.917 434 Q CB 0.349 28.823 28.738 -0.440 0.000 0.997 434 Q HN 0.462 nan 8.270 nan 0.000 0.497 435 Y N -1.439 118.850 120.300 -0.018 0.000 2.425 435 Y HA 0.136 4.686 4.550 -0.000 0.000 0.261 435 Y C 2.050 178.051 175.900 0.168 0.000 1.084 435 Y CA -0.643 57.507 58.100 0.084 0.000 1.248 435 Y CB -0.251 38.388 38.460 0.298 0.000 1.270 435 Y HN -0.051 nan 8.280 nan 0.000 0.524 436 Q N 1.615 121.535 119.800 0.199 0.000 2.045 436 Q HA -0.145 4.195 4.340 -0.000 0.000 0.206 436 Q C -0.269 175.826 176.000 0.159 0.000 0.991 436 Q CA 2.009 57.910 55.803 0.165 0.000 0.851 436 Q CB -0.552 28.239 28.738 0.087 0.000 0.911 436 Q HN 0.467 nan 8.270 nan 0.000 0.418 437 D N 0.000 120.467 120.400 0.112 0.000 6.856 437 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 437 D CA 0.000 54.051 54.000 0.084 0.000 0.868 437 D CB 0.000 40.853 40.800 0.089 0.000 0.688 437 D HN 0.000 nan 8.370 nan 0.000 0.683