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 3bwn_1_A DATA FIRST_RESID 18 DATA SEQUENCE IPMSDFVVNL DHGDPTAYEE YWRKMGDRCT VTIRGCDLMS YFSDMTNLCW DATA SEQUENCE FLEPELEDAI KDLHGVVGNA ATEDRYIVVG TGSTQLCQAA VHALSSLARS DATA SEQUENCE QPVSVVAAAP FYSTYVEETT YVRSGMYKWE GDAWGFDKKG PYIELVTSPN DATA SEQUENCE NPDGTIRETV VXXXXXDEAK VIHDFAYYWP HYTPITRRQD HDIMLFTFSK DATA SEQUENCE ITGHAGSRIG WALVKDKEVA KKMVEYIIVN SIGVSKESQV RTAKILNVLK DATA SEQUENCE ETCKSESESE NFFKYGREMM KNRWEKLREV VKESDAFTLP KYPEAFCNYF DATA SEQUENCE GKSLESYPAF AWLGTKEETD LVSELRRHKV MSRAGERCGS DKKHVRVSML DATA SEQUENCE SREDVFNVFL ERLANMK 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 18 I HA 0.000 nan 4.170 nan 0.000 0.288 18 I C 0.000 176.124 176.117 0.012 0.000 1.063 18 I CA 0.000 61.309 61.300 0.015 0.000 1.566 18 I CB 0.000 38.012 38.000 0.020 0.000 1.214 19 P HA 0.363 nan 4.420 nan 0.000 0.272 19 P C -0.159 177.173 177.300 0.055 0.000 1.240 19 P CA -0.385 62.731 63.100 0.027 0.000 0.791 19 P CB 0.798 32.515 31.700 0.028 0.000 0.978 20 M N 0.809 120.441 119.600 0.053 0.000 2.854 20 M HA 0.033 4.513 4.480 -0.000 0.000 0.251 20 M C 1.260 177.632 176.300 0.119 0.000 1.301 20 M CA 0.088 55.454 55.300 0.109 0.000 1.059 20 M CB -1.516 31.123 32.600 0.066 0.000 1.419 20 M HN 0.523 nan 8.290 nan 0.000 0.467 21 S N -2.022 113.734 115.700 0.094 0.000 2.545 21 S HA 0.069 4.539 4.470 -0.000 0.000 0.232 21 S C 1.214 175.861 174.600 0.079 0.000 1.070 21 S CA 0.302 58.547 58.200 0.076 0.000 0.923 21 S CB 0.070 63.296 63.200 0.043 0.000 0.806 21 S HN 0.382 nan 8.310 nan 0.000 0.506 22 D N 0.653 121.106 120.400 0.089 0.000 2.289 22 D HA 0.241 4.881 4.640 -0.000 0.000 0.207 22 D C 0.168 176.549 176.300 0.134 0.000 0.966 22 D CA 0.028 54.078 54.000 0.082 0.000 0.868 22 D CB -0.115 40.723 40.800 0.062 0.000 0.943 22 D HN 0.404 nan 8.370 nan 0.000 0.514 23 F N 1.840 121.800 119.950 0.017 0.000 2.612 23 F HA 0.020 4.547 4.527 -0.000 0.000 0.389 23 F C -0.054 175.764 175.800 0.030 0.000 1.055 23 F CA -0.556 57.458 58.000 0.023 0.000 1.232 23 F CB 0.355 39.370 39.000 0.025 0.000 1.044 23 F HN -0.332 nan 8.300 nan 0.000 0.560 24 V N 7.927 127.540 119.914 -0.502 0.000 2.461 24 V HA 0.148 4.268 4.120 -0.000 0.000 0.275 24 V C -0.105 175.407 176.094 -0.969 0.000 1.047 24 V CA -0.666 61.318 62.300 -0.526 0.000 0.955 24 V CB 1.167 32.836 31.823 -0.258 0.000 0.988 24 V HN 0.571 nan 8.190 nan 0.000 0.471 25 V N 5.876 125.439 119.914 -0.586 0.000 2.348 25 V HA 0.271 4.391 4.120 -0.000 0.000 0.270 25 V C 0.378 176.318 176.094 -0.258 0.000 1.037 25 V CA -0.414 61.626 62.300 -0.433 0.000 0.872 25 V CB 1.321 33.058 31.823 -0.144 0.000 1.002 25 V HN 0.868 nan 8.190 nan 0.000 0.464 26 N N 6.107 124.667 118.700 -0.233 0.000 2.558 26 N HA 0.309 5.049 4.740 -0.000 0.000 0.233 26 N C -0.057 175.255 175.510 -0.330 0.000 1.038 26 N CA -0.095 52.821 53.050 -0.223 0.000 0.934 26 N CB 0.986 39.404 38.487 -0.116 0.000 1.175 26 N HN 0.641 nan 8.380 nan 0.000 0.512 27 L N 2.048 123.085 121.223 -0.310 0.000 3.066 27 L HA 0.186 4.526 4.340 -0.000 0.000 0.265 27 L C 1.064 177.789 176.870 -0.242 0.000 1.232 27 L CA -0.123 54.532 54.840 -0.309 0.000 1.031 27 L CB 0.464 42.311 42.059 -0.353 0.000 1.379 27 L HN 0.346 nan 8.230 nan 0.000 0.563 28 D N 0.150 120.369 120.400 -0.301 0.000 2.110 28 D HA -0.100 4.540 4.640 -0.000 0.000 0.202 28 D C 0.867 177.141 176.300 -0.043 0.000 0.975 28 D CA 1.076 54.994 54.000 -0.136 0.000 0.839 28 D CB 0.251 40.995 40.800 -0.095 0.000 0.996 28 D HN 0.498 nan 8.370 nan 0.000 0.464 29 H N -2.653 116.470 119.070 0.089 0.000 2.488 29 H HA 0.612 5.168 4.556 -0.000 0.000 0.347 29 H C 0.695 176.131 175.328 0.180 0.000 1.174 29 H CA -0.723 55.403 56.048 0.131 0.000 1.307 29 H CB 1.377 31.189 29.762 0.084 0.000 1.517 29 H HN -0.041 nan 8.280 nan 0.000 0.554 30 G N 0.856 109.923 108.800 0.445 0.000 4.084 30 G HA2 0.035 3.995 3.960 -0.000 0.000 0.293 30 G HA3 0.035 3.995 3.960 -0.000 0.000 0.293 30 G C -0.463 174.593 174.900 0.261 0.000 1.303 30 G CA -0.478 44.814 45.100 0.320 0.000 1.289 30 G HN 0.788 nan 8.290 nan 0.000 0.609 31 D N 1.818 122.439 120.400 0.369 0.000 2.451 31 D HA 0.128 4.768 4.640 -0.000 0.000 0.254 31 D C -1.819 174.572 176.300 0.151 0.000 1.204 31 D CA -1.359 52.758 54.000 0.195 0.000 0.896 31 D CB 1.347 42.201 40.800 0.090 0.000 1.136 31 D HN 0.115 nan 8.370 nan 0.000 0.499 32 P HA 0.134 nan 4.420 nan 0.000 0.219 32 P C 0.170 177.571 177.300 0.168 0.000 1.847 32 P CA -0.324 62.878 63.100 0.170 0.000 1.059 32 P CB 0.118 31.983 31.700 0.274 0.000 1.900 33 T N -2.435 112.177 114.554 0.098 0.000 3.081 33 T HA 0.143 4.493 4.350 -0.000 0.000 0.250 33 T C 1.818 176.561 174.700 0.071 0.000 1.100 33 T CA 0.556 62.713 62.100 0.095 0.000 1.038 33 T CB -0.286 68.633 68.868 0.084 0.000 0.962 33 T HN 0.103 nan 8.240 nan 0.000 0.516 34 A N 1.330 124.126 122.820 -0.039 0.000 2.023 34 A HA -0.180 4.140 4.320 -0.000 0.000 0.223 34 A C 1.667 179.200 177.584 -0.085 0.000 1.180 34 A CA 1.571 53.498 52.037 -0.184 0.000 0.659 34 A CB -1.130 17.577 19.000 -0.488 0.000 0.817 34 A HN 0.685 nan 8.150 nan 0.000 0.466 35 Y N -0.967 119.475 120.300 0.236 0.000 2.457 35 Y HA 0.200 4.750 4.550 -0.000 0.000 0.263 35 Y C 1.997 178.143 175.900 0.409 0.000 1.164 35 Y CA 0.290 58.613 58.100 0.372 0.000 1.274 35 Y CB -0.101 38.674 38.460 0.524 0.000 1.097 35 Y HN 0.553 nan 8.280 nan 0.000 0.523 36 E N 0.743 121.162 120.200 0.365 0.000 2.046 36 E HA -0.173 4.177 4.350 -0.000 0.000 0.190 36 E C 1.772 178.508 176.600 0.226 0.000 0.982 36 E CA 0.949 57.519 56.400 0.283 0.000 0.800 36 E CB 0.196 29.989 29.700 0.157 0.000 0.756 36 E HN 0.345 nan 8.360 nan 0.000 0.449 37 E N 0.093 120.395 120.200 0.171 0.000 2.085 37 E HA -0.221 4.128 4.350 -0.000 0.000 0.194 37 E C 1.874 178.491 176.600 0.029 0.000 0.994 37 E CA 1.075 57.534 56.400 0.099 0.000 0.801 37 E CB -0.442 29.317 29.700 0.098 0.000 0.743 37 E HN 0.397 nan 8.360 nan 0.000 0.453 38 Y N 0.063 120.303 120.300 -0.100 0.000 2.040 38 Y HA -0.295 4.255 4.550 -0.000 0.000 0.275 38 Y C 2.057 177.730 175.900 -0.377 0.000 1.171 38 Y CA 2.289 60.131 58.100 -0.430 0.000 1.123 38 Y CB -0.845 37.203 38.460 -0.688 0.000 0.963 38 Y HN 0.056 nan 8.280 nan 0.000 0.493 39 W N 0.361 121.627 121.300 -0.056 0.000 2.402 39 W HA -0.082 4.578 4.660 0.000 0.000 0.286 39 W C 2.812 179.255 176.519 -0.127 0.000 1.221 39 W CA 1.379 58.661 57.345 -0.105 0.000 1.257 39 W CB -0.369 29.140 29.460 0.080 0.000 1.120 39 W HN -0.045 nan 8.180 nan 0.000 0.551 40 R N 1.321 121.876 120.500 0.091 0.000 2.080 40 R HA -0.190 4.149 4.340 -0.000 0.000 0.236 40 R C 2.016 178.285 176.300 -0.051 0.000 1.137 40 R CA 1.762 57.882 56.100 0.033 0.000 0.943 40 R CB -0.372 29.947 30.300 0.031 0.000 0.846 40 R HN 0.098 nan 8.270 nan 0.000 0.431 41 K N -0.239 120.073 120.400 -0.146 0.000 2.113 41 K HA -0.132 4.188 4.320 -0.000 0.000 0.208 41 K C 1.980 178.449 176.600 -0.218 0.000 1.047 41 K CA 1.602 57.773 56.287 -0.194 0.000 0.928 41 K CB -0.069 32.271 32.500 -0.268 0.000 0.716 41 K HN 0.241 nan 8.250 nan 0.000 0.446 42 M N 0.387 119.806 119.600 -0.303 0.000 2.629 42 M HA -0.036 4.444 4.480 -0.000 0.000 0.257 42 M C 1.351 177.600 176.300 -0.086 0.000 1.071 42 M CA 1.083 56.242 55.300 -0.234 0.000 1.077 42 M CB -1.428 31.012 32.600 -0.266 0.000 1.423 42 M HN 0.362 nan 8.290 nan 0.000 0.508 43 G N 1.704 110.472 108.800 -0.054 0.000 2.594 43 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.297 43 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.297 43 G C 0.230 175.130 174.900 0.001 0.000 1.273 43 G CA 0.595 45.682 45.100 -0.021 0.000 0.974 43 G HN 0.385 nan 8.290 nan 0.000 0.552 44 D N 0.966 121.364 120.400 -0.003 0.000 2.378 44 D HA 0.040 4.680 4.640 -0.000 0.000 0.222 44 D C 2.447 178.749 176.300 0.004 0.000 0.980 44 D CA 1.276 55.278 54.000 0.002 0.000 0.907 44 D CB -0.124 40.674 40.800 -0.003 0.000 0.899 44 D HN 0.672 nan 8.370 nan 0.000 0.527 45 R N -0.852 119.652 120.500 0.006 0.000 2.276 45 R HA 0.169 4.509 4.340 -0.000 0.000 0.196 45 R C 1.344 177.655 176.300 0.018 0.000 0.961 45 R CA 0.382 56.487 56.100 0.008 0.000 1.024 45 R CB -0.602 29.701 30.300 0.004 0.000 0.940 45 R HN 0.047 nan 8.270 nan 0.000 0.480 46 C N 1.074 120.398 119.300 0.039 0.000 2.594 46 C HA 0.168 4.628 4.460 -0.000 0.000 0.265 46 C C 0.481 175.474 174.990 0.004 0.000 1.351 46 C CA -0.033 59.014 59.018 0.048 0.000 1.744 46 C CB -0.615 27.203 27.740 0.129 0.000 1.890 46 C HN 0.456 nan 8.230 nan 0.000 0.551 47 T N 1.521 116.078 114.554 0.006 0.000 2.930 47 T HA 0.306 4.656 4.350 -0.000 0.000 0.306 47 T C -0.139 174.549 174.700 -0.020 0.000 1.045 47 T CA 0.439 62.537 62.100 -0.003 0.000 1.134 47 T CB 0.958 69.827 68.868 0.001 0.000 0.961 47 T HN 0.051 nan 8.240 nan 0.000 0.545 48 V N 3.347 123.247 119.914 -0.023 0.000 2.495 48 V HA 0.460 4.580 4.120 -0.000 0.000 0.298 48 V C 0.188 176.269 176.094 -0.022 0.000 1.031 48 V CA -0.707 61.574 62.300 -0.032 0.000 0.871 48 V CB 2.151 33.946 31.823 -0.046 0.000 0.988 48 V HN 0.983 nan 8.190 nan 0.000 0.432 49 T N 6.424 120.965 114.554 -0.022 0.000 2.815 49 T HA 0.679 5.029 4.350 -0.000 0.000 0.289 49 T C -0.491 174.198 174.700 -0.018 0.000 1.000 49 T CA -0.091 61.999 62.100 -0.017 0.000 0.958 49 T CB 0.644 69.503 68.868 -0.014 0.000 0.944 49 T HN 0.411 nan 8.240 nan 0.000 0.442 50 I N 3.372 123.933 120.570 -0.016 0.000 2.418 50 I HA 0.459 4.629 4.170 -0.000 0.000 0.287 50 I C 0.399 176.508 176.117 -0.014 0.000 1.008 50 I CA -0.945 60.345 61.300 -0.017 0.000 1.104 50 I CB 1.625 39.614 38.000 -0.018 0.000 1.264 50 I HN 0.279 nan 8.210 nan 0.000 0.438 51 R N 3.247 123.739 120.500 -0.013 0.000 2.528 51 R HA 0.335 4.675 4.340 -0.000 0.000 0.271 51 R C 1.371 177.663 176.300 -0.013 0.000 1.056 51 R CA -0.273 55.820 56.100 -0.012 0.000 1.117 51 R CB 0.901 31.195 30.300 -0.010 0.000 1.085 51 R HN 0.881 nan 8.270 nan 0.000 0.530 52 G N 0.738 109.530 108.800 -0.013 0.000 2.550 52 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.222 52 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.222 52 G C 1.245 176.135 174.900 -0.017 0.000 1.113 52 G CA 1.440 46.531 45.100 -0.015 0.000 0.748 52 G HN 0.790 nan 8.290 nan 0.000 0.585 53 C N -0.670 118.622 119.300 -0.014 0.000 2.791 53 C HA 0.383 4.843 4.460 -0.000 0.000 0.270 53 C C 0.070 175.052 174.990 -0.014 0.000 1.257 53 C CA -1.382 57.627 59.018 -0.014 0.000 1.699 53 C CB -0.510 27.224 27.740 -0.010 0.000 1.904 53 C HN 0.158 nan 8.230 nan 0.000 0.603 54 D N 1.077 121.469 120.400 -0.014 0.000 2.329 54 D HA 0.428 5.068 4.640 -0.000 0.000 0.246 54 D C 0.954 177.245 176.300 -0.016 0.000 1.111 54 D CA 0.038 54.031 54.000 -0.012 0.000 0.941 54 D CB 0.690 41.483 40.800 -0.012 0.000 1.169 54 D HN 0.416 nan 8.370 nan 0.000 0.441 55 L N -0.392 120.826 121.223 -0.009 0.000 3.843 55 L HA -0.278 4.062 4.340 -0.000 0.000 0.411 55 L C 1.308 178.158 176.870 -0.034 0.000 1.205 55 L CA 0.174 55.008 54.840 -0.010 0.000 0.945 55 L CB -1.527 40.526 42.059 -0.012 0.000 1.929 55 L HN 0.470 nan 8.230 nan 0.000 0.934 56 M N -1.273 118.304 119.600 -0.040 0.000 2.357 56 M HA 0.023 4.503 4.480 -0.000 0.000 0.266 56 M C 1.438 177.666 176.300 -0.120 0.000 1.095 56 M CA 0.917 56.171 55.300 -0.077 0.000 1.156 56 M CB 0.230 32.796 32.600 -0.056 0.000 1.365 56 M HN 0.412 nan 8.290 nan 0.000 0.447 57 S N -0.677 114.988 115.700 -0.058 0.000 2.585 57 S HA 0.042 4.512 4.470 -0.000 0.000 0.273 57 S C 0.745 175.284 174.600 -0.103 0.000 1.339 57 S CA -0.312 57.859 58.200 -0.049 0.000 1.028 57 S CB 0.542 63.795 63.200 0.089 0.000 0.906 57 S HN 0.282 nan 8.310 nan 0.000 0.528 58 Y N 1.906 122.061 120.300 -0.241 0.000 2.242 58 Y HA 0.023 4.573 4.550 -0.000 0.000 0.291 58 Y C 0.430 176.142 175.900 -0.313 0.000 1.137 58 Y CA 0.731 58.574 58.100 -0.430 0.000 1.181 58 Y CB 0.092 38.016 38.460 -0.894 0.000 0.989 58 Y HN 0.536 nan 8.280 nan 0.000 0.527 59 F N -1.272 118.880 119.950 0.337 0.000 2.379 59 F HA 0.221 4.748 4.527 -0.000 0.000 0.332 59 F C 1.170 177.136 175.800 0.276 0.000 1.096 59 F CA -0.373 57.830 58.000 0.337 0.000 1.105 59 F CB 1.142 40.186 39.000 0.073 0.000 1.189 59 F HN -0.310 nan 8.300 nan 0.000 0.515 60 S N -0.494 115.497 115.700 0.485 0.000 2.444 60 S HA 0.006 4.476 4.470 -0.000 0.000 0.223 60 S C -0.334 174.403 174.600 0.227 0.000 1.054 60 S CA 0.592 58.964 58.200 0.285 0.000 0.947 60 S CB 0.107 63.441 63.200 0.222 0.000 0.850 60 S HN 0.701 nan 8.310 nan 0.000 0.527 61 D N 0.094 120.650 120.400 0.260 0.000 2.354 61 D HA 0.208 4.847 4.640 -0.000 0.000 0.230 61 D C 0.062 176.477 176.300 0.192 0.000 1.361 61 D CA -0.198 53.903 54.000 0.169 0.000 0.992 61 D CB 0.569 41.436 40.800 0.112 0.000 1.409 61 D HN -0.101 nan 8.370 nan 0.000 0.573 62 M N 1.682 121.341 119.600 0.099 0.000 2.686 62 M HA 0.004 4.484 4.480 -0.000 0.000 0.246 62 M C 1.430 177.758 176.300 0.047 0.000 1.096 62 M CA 0.604 55.920 55.300 0.027 0.000 1.076 62 M CB -0.804 31.684 32.600 -0.186 0.000 1.504 62 M HN 0.261 nan 8.290 nan 0.000 0.524 63 T N 0.495 115.084 114.554 0.059 0.000 3.043 63 T HA 0.058 4.408 4.350 -0.000 0.000 0.263 63 T C 0.921 175.665 174.700 0.075 0.000 1.094 63 T CA 0.362 62.493 62.100 0.051 0.000 1.127 63 T CB 0.104 68.994 68.868 0.038 0.000 0.905 63 T HN 0.320 nan 8.240 nan 0.000 0.490 64 N N 1.585 120.344 118.700 0.099 0.000 2.518 64 N HA 0.218 4.958 4.740 -0.000 0.000 0.283 64 N C 0.986 176.559 175.510 0.104 0.000 1.119 64 N CA -0.184 52.920 53.050 0.090 0.000 0.983 64 N CB 1.598 40.120 38.487 0.058 0.000 1.139 64 N HN 0.088 nan 8.380 nan 0.000 0.465 65 L N 1.457 122.728 121.223 0.079 0.000 1.997 65 L HA -0.153 4.187 4.340 -0.000 0.000 0.216 65 L C 0.940 177.783 176.870 -0.045 0.000 1.074 65 L CA 1.497 56.357 54.840 0.034 0.000 0.763 65 L CB 0.033 42.084 42.059 -0.014 0.000 0.890 65 L HN 0.535 nan 8.230 nan 0.000 0.434 66 C N 1.974 121.181 119.300 -0.155 0.000 2.192 66 C HA 0.128 4.587 4.460 -0.000 0.000 0.337 66 C C 1.532 176.275 174.990 -0.413 0.000 1.103 66 C CA -0.895 57.815 59.018 -0.513 0.000 1.581 66 C CB -1.155 26.267 27.740 -0.531 0.000 2.070 66 C HN 0.741 nan 8.230 nan 0.000 0.485 67 W N 4.074 125.221 121.300 -0.255 0.000 2.937 67 W HA 0.119 4.779 4.660 0.000 0.000 0.245 67 W C 0.696 177.271 176.519 0.092 0.000 1.306 67 W CA -0.327 57.008 57.345 -0.017 0.000 1.470 67 W CB -0.883 28.652 29.460 0.125 0.000 1.132 67 W HN 0.798 nan 8.180 nan 0.000 0.675 68 F N 0.238 120.210 119.950 0.036 0.000 2.647 68 F HA 0.469 4.996 4.527 -0.000 0.000 0.300 68 F C -0.070 175.745 175.800 0.026 0.000 1.106 68 F CA -1.017 57.021 58.000 0.063 0.000 1.313 68 F CB -0.920 37.925 39.000 -0.259 0.000 1.007 68 F HN -0.224 nan 8.300 nan 0.000 0.536 69 L N 2.183 123.349 121.223 -0.094 0.000 2.275 69 L HA 0.450 4.790 4.340 -0.000 0.000 0.288 69 L C -0.119 176.766 176.870 0.025 0.000 1.046 69 L CA -0.449 54.370 54.840 -0.035 0.000 0.805 69 L CB 0.743 42.724 42.059 -0.130 0.000 1.193 69 L HN 0.006 nan 8.230 nan 0.000 0.426 70 E N 6.281 126.498 120.200 0.029 0.000 2.289 70 E HA 0.181 4.531 4.350 -0.000 0.000 0.278 70 E C -1.910 174.678 176.600 -0.020 0.000 1.032 70 E CA -1.736 54.675 56.400 0.018 0.000 0.854 70 E CB 1.229 30.932 29.700 0.005 0.000 1.046 70 E HN 0.502 nan 8.360 nan 0.000 0.409 71 P HA -0.210 nan 4.420 nan 0.000 0.215 71 P C 1.173 178.438 177.300 -0.058 0.000 1.153 71 P CA 1.340 64.422 63.100 -0.030 0.000 0.853 71 P CB 0.289 31.982 31.700 -0.012 0.000 0.788 72 E N -0.149 120.015 120.200 -0.060 0.000 2.160 72 E HA -0.191 4.159 4.350 -0.000 0.000 0.195 72 E C 1.954 178.479 176.600 -0.126 0.000 0.991 72 E CA 1.142 57.492 56.400 -0.083 0.000 0.810 72 E CB -1.450 28.205 29.700 -0.075 0.000 0.742 72 E HN 0.225 nan 8.360 nan 0.000 0.466 73 L N 1.485 122.627 121.223 -0.135 0.000 2.072 73 L HA -0.046 4.294 4.340 -0.000 0.000 0.205 73 L C 2.504 179.235 176.870 -0.233 0.000 1.079 73 L CA 1.945 56.664 54.840 -0.201 0.000 0.752 73 L CB -0.553 41.401 42.059 -0.176 0.000 0.906 73 L HN 0.111 nan 8.230 nan 0.000 0.436 74 E N -0.607 119.492 120.200 -0.167 0.000 2.070 74 E HA -0.277 4.073 4.350 -0.000 0.000 0.197 74 E C 1.672 178.172 176.600 -0.167 0.000 1.004 74 E CA 1.762 58.064 56.400 -0.162 0.000 0.805 74 E CB -0.003 29.638 29.700 -0.098 0.000 0.744 74 E HN 0.532 nan 8.360 nan 0.000 0.451 75 D N -0.107 120.212 120.400 -0.134 0.000 2.117 75 D HA -0.146 4.494 4.640 -0.000 0.000 0.197 75 D C 1.809 178.022 176.300 -0.145 0.000 0.987 75 D CA 1.362 55.293 54.000 -0.115 0.000 0.829 75 D CB -0.397 40.350 40.800 -0.088 0.000 0.961 75 D HN 0.302 nan 8.370 nan 0.000 0.460 76 A N 1.190 123.896 122.820 -0.189 0.000 1.877 76 A HA -0.159 4.161 4.320 -0.000 0.000 0.216 76 A C 2.159 179.561 177.584 -0.304 0.000 1.186 76 A CA 0.972 52.874 52.037 -0.226 0.000 0.620 76 A CB -0.509 18.334 19.000 -0.262 0.000 0.822 76 A HN 0.111 nan 8.150 nan 0.000 0.443 77 I N 0.085 120.393 120.570 -0.437 0.000 2.127 77 I HA -0.240 3.930 4.170 -0.000 0.000 0.241 77 I C 2.245 178.206 176.117 -0.260 0.000 1.075 77 I CA 1.815 62.755 61.300 -0.600 0.000 1.334 77 I CB -1.421 36.075 38.000 -0.840 0.000 1.040 77 I HN 0.355 nan 8.210 nan 0.000 0.405 78 K N 0.439 120.749 120.400 -0.151 0.000 2.103 78 K HA -0.154 4.166 4.320 -0.000 0.000 0.204 78 K C 1.753 178.339 176.600 -0.023 0.000 1.052 78 K CA 1.328 57.596 56.287 -0.033 0.000 0.945 78 K CB -0.151 32.318 32.500 -0.051 0.000 0.722 78 K HN 0.223 nan 8.250 nan 0.000 0.443 79 D N 1.213 121.576 120.400 -0.062 0.000 2.104 79 D HA -0.187 4.453 4.640 -0.000 0.000 0.194 79 D C 1.719 178.005 176.300 -0.023 0.000 0.994 79 D CA 0.810 54.787 54.000 -0.039 0.000 0.830 79 D CB -0.100 40.667 40.800 -0.054 0.000 0.959 79 D HN 0.027 nan 8.370 nan 0.000 0.452 80 L N 0.397 121.580 121.223 -0.068 0.000 2.056 80 L HA -0.158 4.182 4.340 -0.000 0.000 0.207 80 L C 2.058 178.911 176.870 -0.030 0.000 1.078 80 L CA 1.583 56.399 54.840 -0.039 0.000 0.749 80 L CB -0.449 41.553 42.059 -0.096 0.000 0.901 80 L HN 0.255 nan 8.230 nan 0.000 0.433 81 H N -0.794 118.295 119.070 0.031 0.000 2.489 81 H HA -0.072 4.484 4.556 -0.000 0.000 0.293 81 H C 2.030 177.329 175.328 -0.047 0.000 1.066 81 H CA 1.100 57.119 56.048 -0.048 0.000 1.305 81 H CB -0.217 29.488 29.762 -0.095 0.000 1.386 81 H HN 0.416 nan 8.280 nan 0.000 0.551 82 G N 0.340 109.185 108.800 0.075 0.000 2.414 82 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.215 82 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.215 82 G C 1.882 176.811 174.900 0.049 0.000 1.188 82 G CA 0.814 45.940 45.100 0.044 0.000 0.783 82 G HN 0.367 nan 8.290 nan 0.000 0.537 83 V N 0.302 120.255 119.914 0.064 0.000 2.515 83 V HA -0.099 4.021 4.120 -0.000 0.000 0.250 83 V C 2.753 178.938 176.094 0.152 0.000 1.058 83 V CA 2.011 64.377 62.300 0.110 0.000 1.064 83 V CB -0.037 31.868 31.823 0.136 0.000 0.675 83 V HN 0.169 nan 8.190 nan 0.000 0.461 84 V N 0.272 120.206 119.914 0.033 0.000 2.685 84 V HA 0.380 4.500 4.120 -0.000 0.000 0.244 84 V C 1.901 177.936 176.094 -0.099 0.000 1.054 84 V CA 1.233 63.429 62.300 -0.174 0.000 1.076 84 V CB -0.363 31.213 31.823 -0.411 0.000 0.725 84 V HN 0.809 nan 8.190 nan 0.000 0.467 85 G N 2.010 110.773 108.800 -0.061 0.000 2.149 85 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.235 85 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.235 85 G C 0.510 175.354 174.900 -0.092 0.000 1.018 85 G CA 0.559 45.635 45.100 -0.041 0.000 0.728 85 G HN 0.633 nan 8.290 nan 0.000 0.508 86 N N 0.029 118.629 118.700 -0.167 0.000 2.392 86 N HA 0.505 5.245 4.740 -0.000 0.000 0.177 86 N C 0.716 176.201 175.510 -0.042 0.000 1.066 86 N CA 1.182 54.124 53.050 -0.179 0.000 0.895 86 N CB 0.244 38.414 38.487 -0.528 0.000 0.988 86 N HN 1.510 nan 8.380 nan 0.000 0.457 87 A N -0.381 122.395 122.820 -0.073 0.000 2.549 87 A HA 0.793 5.113 4.320 -0.000 0.000 0.297 87 A C -1.089 176.413 177.584 -0.137 0.000 1.061 87 A CA -0.570 51.395 52.037 -0.121 0.000 0.690 87 A CB 1.247 20.152 19.000 -0.158 0.000 1.287 87 A HN 0.342 nan 8.150 nan 0.000 0.402 88 A N 1.021 123.777 122.820 -0.108 0.000 2.409 88 A HA 0.535 4.855 4.320 -0.000 0.000 0.262 88 A C 1.038 178.568 177.584 -0.089 0.000 1.113 88 A CA 0.531 52.516 52.037 -0.086 0.000 0.790 88 A CB -0.301 18.650 19.000 -0.082 0.000 1.046 88 A HN 1.781 nan 8.150 nan 0.000 0.496 89 T N -0.608 113.903 114.554 -0.072 0.000 3.084 89 T HA 0.173 4.523 4.350 -0.000 0.000 0.270 89 T C 0.303 174.961 174.700 -0.071 0.000 1.008 89 T CA 0.062 62.123 62.100 -0.064 0.000 0.900 89 T CB -0.179 68.667 68.868 -0.037 0.000 1.084 89 T HN 0.765 nan 8.240 nan 0.000 0.538 90 E N 1.418 121.575 120.200 -0.073 0.000 2.283 90 E HA 0.188 4.537 4.350 -0.000 0.000 0.267 90 E C -0.840 175.693 176.600 -0.113 0.000 1.045 90 E CA -0.472 55.877 56.400 -0.084 0.000 0.884 90 E CB 0.430 30.091 29.700 -0.064 0.000 1.106 90 E HN 0.088 nan 8.360 nan 0.000 0.408 91 D N 0.830 121.145 120.400 -0.142 0.000 2.692 91 D HA -0.233 4.407 4.640 -0.000 0.000 0.233 91 D C -0.230 175.909 176.300 -0.269 0.000 1.172 91 D CA 1.390 55.278 54.000 -0.185 0.000 0.636 91 D CB -0.982 39.754 40.800 -0.107 0.000 1.028 91 D HN 0.666 nan 8.370 nan 0.000 0.419 92 R N -1.400 118.867 120.500 -0.389 0.000 2.692 92 R HA 0.496 4.836 4.340 -0.000 0.000 0.269 92 R C -1.192 174.772 176.300 -0.560 0.000 1.030 92 R CA -0.938 54.904 56.100 -0.429 0.000 0.882 92 R CB 0.763 30.989 30.300 -0.124 0.000 1.250 92 R HN -0.132 nan 8.270 nan 0.000 0.465 93 Y N 1.170 121.484 120.300 0.023 0.000 2.310 93 Y HA 0.428 4.978 4.550 -0.000 0.000 0.326 93 Y C 0.308 176.230 175.900 0.036 0.000 1.151 93 Y CA -0.911 57.199 58.100 0.018 0.000 1.195 93 Y CB 0.887 39.353 38.460 0.011 0.000 1.210 93 Y HN 0.331 nan 8.280 nan 0.000 0.483 94 I N 3.153 123.802 120.570 0.131 0.000 2.359 94 I HA 0.375 4.544 4.170 -0.000 0.000 0.294 94 I C -0.609 175.564 176.117 0.095 0.000 0.987 94 I CA -0.895 60.477 61.300 0.120 0.000 1.225 94 I CB 1.384 39.415 38.000 0.053 0.000 1.366 94 I HN 0.281 nan 8.210 nan 0.000 0.466 95 V N 6.409 126.409 119.914 0.143 0.000 2.531 95 V HA 0.551 4.671 4.120 -0.000 0.000 0.301 95 V C -0.172 176.042 176.094 0.199 0.000 1.034 95 V CA -0.987 61.371 62.300 0.097 0.000 0.865 95 V CB 1.764 33.654 31.823 0.110 0.000 0.995 95 V HN 0.505 nan 8.190 nan 0.000 0.424 96 V N 1.756 121.778 119.914 0.179 0.000 2.644 96 V HA 1.052 5.172 4.120 -0.000 0.000 0.295 96 V C 0.500 176.787 176.094 0.322 0.000 1.053 96 V CA -0.017 62.450 62.300 0.279 0.000 0.987 96 V CB 1.168 33.135 31.823 0.240 0.000 1.006 96 V HN 1.012 nan 8.190 nan 0.000 0.472 97 G N 1.174 110.134 108.800 0.266 0.000 2.680 97 G HA2 0.543 4.503 3.960 -0.000 0.000 0.290 97 G HA3 0.543 4.503 3.960 -0.000 0.000 0.290 97 G C -0.489 174.505 174.900 0.156 0.000 1.355 97 G CA -0.681 44.541 45.100 0.202 0.000 0.903 97 G HN 0.758 nan 8.290 nan 0.000 0.474 98 T N 1.517 116.134 114.554 0.105 0.000 3.162 98 T HA 0.477 4.827 4.350 -0.000 0.000 0.264 98 T C 0.943 175.698 174.700 0.092 0.000 0.959 98 T CA 1.082 63.232 62.100 0.083 0.000 1.118 98 T CB -0.586 68.309 68.868 0.045 0.000 0.979 98 T HN 1.808 nan 8.240 nan 0.000 0.679 99 G N 2.081 110.948 108.800 0.113 0.000 2.819 99 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.682 99 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.682 99 G C 0.960 175.913 174.900 0.089 0.000 1.481 99 G CA -0.197 44.963 45.100 0.099 0.000 0.904 99 G HN 0.564 nan 8.290 nan 0.000 0.563 100 S N -0.845 114.888 115.700 0.055 0.000 2.447 100 S HA -0.127 4.343 4.470 -0.000 0.000 0.233 100 S C 2.611 177.245 174.600 0.056 0.000 1.006 100 S CA 2.474 60.694 58.200 0.033 0.000 0.957 100 S CB -0.490 62.694 63.200 -0.026 0.000 0.773 100 S HN 1.873 nan 8.310 nan 0.000 0.507 101 T N 0.944 115.541 114.554 0.072 0.000 2.635 101 T HA -0.268 4.082 4.350 -0.000 0.000 0.267 101 T C 1.874 176.618 174.700 0.072 0.000 1.040 101 T CA 2.263 64.411 62.100 0.080 0.000 1.156 101 T CB -0.665 68.241 68.868 0.062 0.000 0.863 101 T HN 0.691 nan 8.240 nan 0.000 0.430 102 Q N -0.803 119.052 119.800 0.091 0.000 2.167 102 Q HA -0.048 4.292 4.340 -0.000 0.000 0.202 102 Q C 2.228 178.293 176.000 0.108 0.000 0.970 102 Q CA 0.938 56.823 55.803 0.136 0.000 0.855 102 Q CB -0.124 28.702 28.738 0.145 0.000 0.911 102 Q HN 0.421 nan 8.270 nan 0.000 0.438 103 L N 0.192 121.463 121.223 0.081 0.000 2.005 103 L HA -0.172 4.168 4.340 -0.000 0.000 0.207 103 L C 2.558 179.419 176.870 -0.015 0.000 1.072 103 L CA 1.349 56.222 54.840 0.056 0.000 0.744 103 L CB -1.476 40.630 42.059 0.078 0.000 0.895 103 L HN 0.448 nan 8.230 nan 0.000 0.433 104 C N -0.416 118.873 119.300 -0.019 0.000 2.413 104 C HA -0.216 4.244 4.460 -0.000 0.000 0.277 104 C C 2.815 177.708 174.990 -0.162 0.000 1.265 104 C CA 1.049 60.020 59.018 -0.079 0.000 1.752 104 C CB -0.684 27.044 27.740 -0.019 0.000 1.998 104 C HN 0.583 nan 8.230 nan 0.000 0.489 105 Q N 0.169 119.877 119.800 -0.153 0.000 2.137 105 Q HA -0.007 4.333 4.340 -0.000 0.000 0.198 105 Q C 2.540 178.202 176.000 -0.565 0.000 0.960 105 Q CA 1.451 57.092 55.803 -0.270 0.000 0.847 105 Q CB -0.343 28.341 28.738 -0.089 0.000 0.915 105 Q HN 0.756 nan 8.270 nan 0.000 0.448 106 A N 1.522 123.997 122.820 -0.574 0.000 1.908 106 A HA -0.169 4.151 4.320 -0.000 0.000 0.218 106 A C 2.326 179.735 177.584 -0.290 0.000 1.181 106 A CA 1.738 53.399 52.037 -0.627 0.000 0.627 106 A CB -0.807 18.110 19.000 -0.139 0.000 0.818 106 A HN 0.391 nan 8.150 nan 0.000 0.445 107 A N -0.654 122.055 122.820 -0.185 0.000 1.898 107 A HA 0.031 4.351 4.320 -0.000 0.000 0.216 107 A C 2.241 179.734 177.584 -0.150 0.000 1.181 107 A CA 1.752 53.715 52.037 -0.122 0.000 0.620 107 A CB -0.930 18.008 19.000 -0.104 0.000 0.819 107 A HN 0.395 nan 8.150 nan 0.000 0.442 108 V N -0.101 119.677 119.914 -0.226 0.000 2.295 108 V HA -0.277 3.843 4.120 -0.000 0.000 0.246 108 V C 2.568 178.560 176.094 -0.170 0.000 1.049 108 V CA 2.173 64.314 62.300 -0.264 0.000 1.024 108 V CB -1.055 30.503 31.823 -0.443 0.000 0.648 108 V HN 0.787 nan 8.190 nan 0.000 0.447 109 H N 0.617 119.534 119.070 -0.255 0.000 2.352 109 H HA -0.159 4.397 4.556 -0.000 0.000 0.299 109 H C 2.217 177.532 175.328 -0.021 0.000 1.097 109 H CA 2.075 58.087 56.048 -0.062 0.000 1.311 109 H CB 0.049 29.718 29.762 -0.155 0.000 1.377 109 H HN 0.400 nan 8.280 nan 0.000 0.504 110 A N 0.999 123.860 122.820 0.069 0.000 1.872 110 A HA -0.054 4.266 4.320 -0.000 0.000 0.214 110 A C 2.881 180.455 177.584 -0.017 0.000 1.187 110 A CA 1.064 53.138 52.037 0.060 0.000 0.614 110 A CB -0.865 18.166 19.000 0.052 0.000 0.826 110 A HN 0.397 nan 8.150 nan 0.000 0.442 111 L N -0.157 121.037 121.223 -0.047 0.000 2.083 111 L HA -0.164 4.176 4.340 -0.000 0.000 0.209 111 L C 2.808 179.641 176.870 -0.063 0.000 1.083 111 L CA 1.369 56.172 54.840 -0.063 0.000 0.752 111 L CB -0.353 41.652 42.059 -0.091 0.000 0.899 111 L HN 0.317 nan 8.230 nan 0.000 0.433 112 S N -0.850 114.816 115.700 -0.058 0.000 2.382 112 S HA -0.171 4.299 4.470 -0.000 0.000 0.228 112 S C 2.191 176.748 174.600 -0.072 0.000 1.027 112 S CA 1.492 59.671 58.200 -0.036 0.000 0.991 112 S CB -0.144 63.083 63.200 0.045 0.000 0.823 112 S HN 0.351 nan 8.310 nan 0.000 0.469 113 S N 1.310 116.942 115.700 -0.113 0.000 2.399 113 S HA 0.090 4.560 4.470 -0.000 0.000 0.231 113 S C 1.395 175.967 174.600 -0.046 0.000 1.022 113 S CA 0.829 58.972 58.200 -0.095 0.000 0.983 113 S CB -0.209 62.944 63.200 -0.078 0.000 0.803 113 S HN 0.413 nan 8.310 nan 0.000 0.480 114 L N 0.582 121.781 121.223 -0.039 0.000 2.667 114 L HA 0.378 4.718 4.340 -0.000 0.000 0.232 114 L C 0.665 177.516 176.870 -0.031 0.000 1.138 114 L CA -0.451 54.372 54.840 -0.028 0.000 0.921 114 L CB -0.249 41.796 42.059 -0.023 0.000 1.180 114 L HN 0.099 nan 8.230 nan 0.000 0.487 115 A N 0.912 123.710 122.820 -0.036 0.000 2.354 115 A HA 0.293 4.613 4.320 -0.000 0.000 0.269 115 A C 1.539 179.109 177.584 -0.022 0.000 1.109 115 A CA -0.494 51.523 52.037 -0.033 0.000 0.800 115 A CB 0.421 19.401 19.000 -0.033 0.000 1.045 115 A HN 0.492 nan 8.150 nan 0.000 0.489 116 R N 1.269 121.759 120.500 -0.017 0.000 2.140 116 R HA -0.152 4.188 4.340 -0.000 0.000 0.250 116 R C 0.620 176.915 176.300 -0.009 0.000 1.150 116 R CA 1.937 58.031 56.100 -0.011 0.000 0.966 116 R CB -0.765 29.531 30.300 -0.006 0.000 0.869 116 R HN 0.840 nan 8.270 nan 0.000 0.445 117 S N -1.076 114.620 115.700 -0.007 0.000 2.618 117 S HA 0.464 4.934 4.470 -0.000 0.000 0.277 117 S C -1.191 173.405 174.600 -0.006 0.000 1.138 117 S CA -1.167 57.030 58.200 -0.005 0.000 0.844 117 S CB 2.785 65.986 63.200 0.002 0.000 1.127 117 S HN 0.307 nan 8.310 nan 0.000 0.474 118 Q N 0.405 120.199 119.800 -0.011 0.000 2.458 118 Q HA 0.622 4.961 4.340 -0.000 0.000 0.282 118 Q C -2.612 173.383 176.000 -0.009 0.000 1.106 118 Q CA -2.277 53.518 55.803 -0.014 0.000 0.814 118 Q CB 1.042 29.757 28.738 -0.039 0.000 1.425 118 Q HN 0.600 nan 8.270 nan 0.000 0.437 119 P HA 0.061 nan 4.420 nan 0.000 0.269 119 P C -0.904 176.418 177.300 0.037 0.000 1.215 119 P CA -0.104 62.996 63.100 -0.000 0.000 0.780 119 P CB 0.526 32.227 31.700 0.003 0.000 0.898 120 V N 1.845 121.796 119.914 0.062 0.000 2.481 120 V HA 0.156 4.276 4.120 -0.000 0.000 0.286 120 V C 0.573 176.716 176.094 0.082 0.000 1.042 120 V CA -0.365 61.976 62.300 0.069 0.000 0.928 120 V CB 1.291 33.142 31.823 0.046 0.000 0.986 120 V HN 0.558 nan 8.190 nan 0.000 0.462 121 S N 3.753 119.495 115.700 0.070 0.000 2.499 121 S HA 0.440 4.910 4.470 -0.000 0.000 0.275 121 S C -0.212 174.299 174.600 -0.148 0.000 1.257 121 S CA -0.469 57.720 58.200 -0.017 0.000 1.050 121 S CB 1.169 64.382 63.200 0.021 0.000 0.937 121 S HN 0.471 nan 8.310 nan 0.000 0.490 122 V N 4.902 124.712 119.914 -0.174 0.000 2.370 122 V HA 0.580 4.700 4.120 -0.000 0.000 0.283 122 V C 0.161 175.947 176.094 -0.513 0.000 1.023 122 V CA -0.547 61.627 62.300 -0.210 0.000 0.857 122 V CB 1.003 32.816 31.823 -0.016 0.000 0.985 122 V HN 0.767 nan 8.190 nan 0.000 0.443 123 V N 2.001 121.553 119.914 -0.604 0.000 3.141 123 V HA 1.103 5.223 4.120 -0.000 0.000 0.312 123 V C -0.385 175.431 176.094 -0.463 0.000 1.157 123 V CA -0.914 60.888 62.300 -0.832 0.000 1.041 123 V CB 2.072 33.356 31.823 -0.899 0.000 1.071 123 V HN 1.244 nan 8.190 nan 0.000 0.441 124 A N 0.983 123.595 122.820 -0.346 0.000 2.513 124 A HA 0.927 5.247 4.320 -0.000 0.000 0.296 124 A C -0.144 177.513 177.584 0.121 0.000 1.052 124 A CA -0.260 51.754 52.037 -0.039 0.000 0.714 124 A CB 1.145 20.270 19.000 0.209 0.000 1.279 124 A HN 2.508 nan 8.150 nan 0.000 0.397 125 A N 1.235 124.063 122.820 0.013 0.000 2.540 125 A HA 0.532 4.852 4.320 -0.000 0.000 0.239 125 A C 0.849 178.625 177.584 0.320 0.000 1.061 125 A CA 0.611 52.663 52.037 0.024 0.000 0.758 125 A CB -0.178 18.692 19.000 -0.217 0.000 0.991 125 A HN 2.371 nan 8.150 nan 0.000 0.502 126 A N 4.393 127.434 122.820 0.369 0.000 2.354 126 A HA 0.648 4.968 4.320 -0.000 0.000 0.269 126 A C -2.024 175.599 177.584 0.066 0.000 1.109 126 A CA -1.415 50.671 52.037 0.082 0.000 0.800 126 A CB -0.141 18.857 19.000 -0.003 0.000 1.045 126 A HN 0.728 nan 8.150 nan 0.000 0.489 127 P HA 0.471 nan 4.420 nan 0.000 0.279 127 P C -1.047 176.059 177.300 -0.324 0.000 1.239 127 P CA 0.069 62.928 63.100 -0.403 0.000 0.789 127 P CB 0.623 32.050 31.700 -0.455 0.000 0.933 128 F N 0.595 120.536 119.950 -0.015 0.000 2.661 128 F HA 0.503 5.030 4.527 -0.000 0.000 0.347 128 F C -0.387 175.382 175.800 -0.053 0.000 1.086 128 F CA -2.389 55.625 58.000 0.025 0.000 1.016 128 F CB -0.266 38.867 39.000 0.221 0.000 1.368 128 F HN 0.150 nan 8.300 nan 0.000 0.505 129 Y N 2.390 122.715 120.300 0.042 0.000 2.637 129 Y HA 0.220 4.770 4.550 -0.000 0.000 0.350 129 Y C 1.759 177.538 175.900 -0.202 0.000 1.069 129 Y CA -0.462 57.435 58.100 -0.338 0.000 1.397 129 Y CB 0.362 38.269 38.460 -0.922 0.000 1.163 129 Y HN 0.787 nan 8.280 nan 0.000 0.527 130 S N 2.004 117.597 115.700 -0.178 0.000 2.372 130 S HA -0.290 4.180 4.470 -0.000 0.000 0.227 130 S C 1.789 176.089 174.600 -0.500 0.000 1.044 130 S CA 2.110 60.200 58.200 -0.182 0.000 1.050 130 S CB -1.083 62.040 63.200 -0.129 0.000 0.901 130 S HN 0.762 nan 8.310 nan 0.000 0.447 131 T N 1.191 115.193 114.554 -0.919 0.000 2.751 131 T HA -0.175 4.175 4.350 -0.000 0.000 0.268 131 T C 1.431 175.768 174.700 -0.606 0.000 1.045 131 T CA 1.834 63.420 62.100 -0.857 0.000 1.142 131 T CB -0.748 67.448 68.868 -1.119 0.000 0.851 131 T HN 0.465 nan 8.240 nan 0.000 0.474 132 Y N 1.231 121.103 120.300 -0.713 0.000 2.151 132 Y HA -0.131 4.419 4.550 -0.000 0.000 0.284 132 Y C 2.668 177.996 175.900 -0.953 0.000 1.166 132 Y CA -0.319 57.379 58.100 -0.670 0.000 1.163 132 Y CB -1.350 36.724 38.460 -0.644 0.000 0.974 132 Y HN 0.114 nan 8.280 nan 0.000 0.511 133 V N 0.277 119.630 119.914 -0.935 0.000 2.407 133 V HA -0.228 3.892 4.120 -0.000 0.000 0.248 133 V C 2.168 177.957 176.094 -0.507 0.000 1.055 133 V CA 1.940 63.600 62.300 -1.067 0.000 1.049 133 V CB -0.551 30.847 31.823 -0.708 0.000 0.662 133 V HN 0.348 nan 8.190 nan 0.000 0.455 134 E N 0.743 120.726 120.200 -0.362 0.000 2.028 134 E HA -0.216 4.134 4.350 -0.000 0.000 0.191 134 E C 2.085 178.593 176.600 -0.152 0.000 0.988 134 E CA 1.339 57.607 56.400 -0.220 0.000 0.799 134 E CB -0.445 29.105 29.700 -0.249 0.000 0.755 134 E HN 0.720 nan 8.360 nan 0.000 0.447 135 E N 0.545 120.621 120.200 -0.207 0.000 2.160 135 E HA -0.118 4.232 4.350 -0.000 0.000 0.195 135 E C 1.688 178.345 176.600 0.096 0.000 0.991 135 E CA 1.507 57.849 56.400 -0.097 0.000 0.810 135 E CB -0.177 29.462 29.700 -0.101 0.000 0.742 135 E HN 0.225 nan 8.360 nan 0.000 0.466 136 T N -0.371 114.171 114.554 -0.021 0.000 3.044 136 T HA 0.034 4.384 4.350 -0.000 0.000 0.250 136 T C 1.717 176.582 174.700 0.275 0.000 1.081 136 T CA 0.653 62.800 62.100 0.078 0.000 1.040 136 T CB 0.298 69.170 68.868 0.007 0.000 0.962 136 T HN 0.085 nan 8.240 nan 0.000 0.506 137 T N 1.156 115.817 114.554 0.179 0.000 3.042 137 T HA 0.096 4.446 4.350 -0.000 0.000 0.245 137 T C 1.738 176.560 174.700 0.205 0.000 1.029 137 T CA 0.169 62.370 62.100 0.170 0.000 1.120 137 T CB -0.311 68.601 68.868 0.074 0.000 0.917 137 T HN 0.689 nan 8.240 nan 0.000 0.467 138 Y N 2.184 122.509 120.300 0.042 0.000 2.274 138 Y HA -0.032 4.518 4.550 -0.000 0.000 0.290 138 Y C 2.028 177.959 175.900 0.052 0.000 1.145 138 Y CA 0.681 58.802 58.100 0.036 0.000 1.203 138 Y CB -0.653 37.818 38.460 0.019 0.000 0.984 138 Y HN 0.107 nan 8.280 nan 0.000 0.533 139 V N -1.293 118.347 119.914 -0.458 0.000 3.647 139 V HA 0.271 4.391 4.120 -0.000 0.000 0.279 139 V C 0.745 176.744 176.094 -0.158 0.000 1.314 139 V CA -0.088 61.976 62.300 -0.394 0.000 1.125 139 V CB -0.833 30.693 31.823 -0.495 0.000 0.907 139 V HN 0.465 nan 8.190 nan 0.000 0.434 140 R N 0.417 120.872 120.500 -0.075 0.000 3.264 140 R HA -0.160 4.180 4.340 -0.000 0.000 0.251 140 R C 0.426 176.657 176.300 -0.114 0.000 0.971 140 R CA 0.870 56.936 56.100 -0.056 0.000 0.658 140 R CB -2.534 27.743 30.300 -0.037 0.000 1.095 140 R HN 0.638 nan 8.270 nan 0.000 0.443 141 S N -0.398 115.183 115.700 -0.199 0.000 2.548 141 S HA 0.359 4.829 4.470 -0.000 0.000 0.277 141 S C 1.567 175.950 174.600 -0.362 0.000 1.315 141 S CA 0.122 58.125 58.200 -0.328 0.000 1.050 141 S CB 1.334 64.190 63.200 -0.573 0.000 0.918 141 S HN 0.485 nan 8.310 nan 0.000 0.497 142 G N 3.911 112.562 108.800 -0.248 0.000 3.124 142 G HA2 0.068 4.028 3.960 -0.000 0.000 0.212 142 G HA3 0.068 4.028 3.960 -0.000 0.000 0.212 142 G C 0.893 175.667 174.900 -0.210 0.000 1.181 142 G CA 0.010 44.999 45.100 -0.186 0.000 0.803 142 G HN 0.737 nan 8.290 nan 0.000 0.529 143 M N -0.753 118.630 119.600 -0.361 0.000 2.534 143 M HA 0.267 4.747 4.480 -0.000 0.000 0.263 143 M C -0.083 176.123 176.300 -0.157 0.000 1.152 143 M CA 0.411 55.552 55.300 -0.265 0.000 1.145 143 M CB 0.480 32.919 32.600 -0.268 0.000 1.333 143 M HN 0.330 nan 8.290 nan 0.000 0.477 144 Y N -1.947 118.344 120.300 -0.014 0.000 2.571 144 Y HA 0.707 5.257 4.550 -0.000 0.000 0.341 144 Y C -1.134 174.782 175.900 0.026 0.000 1.076 144 Y CA -2.066 56.031 58.100 -0.004 0.000 1.029 144 Y CB 0.884 39.335 38.460 -0.014 0.000 1.308 144 Y HN -0.210 nan 8.280 nan 0.000 0.461 145 K N 3.067 123.607 120.400 0.233 0.000 2.471 145 K HA 0.177 4.497 4.320 -0.000 0.000 0.252 145 K C -1.458 175.260 176.600 0.198 0.000 0.938 145 K CA -0.689 55.715 56.287 0.194 0.000 0.796 145 K CB 1.635 34.194 32.500 0.099 0.000 1.161 145 K HN 0.951 nan 8.250 nan 0.000 0.425 146 W N 5.866 127.197 121.300 0.051 0.000 2.381 146 W HA 0.049 4.709 4.660 -0.000 0.000 0.321 146 W C -0.558 175.942 176.519 -0.032 0.000 1.407 146 W CA 0.335 57.657 57.345 -0.037 0.000 1.274 146 W CB 0.793 30.225 29.460 -0.046 0.000 1.310 146 W HN 0.660 nan 8.180 nan 0.000 0.551 147 E N 4.773 124.555 120.200 -0.697 0.000 2.585 147 E HA 0.207 4.557 4.350 -0.000 0.000 0.206 147 E C 1.166 177.320 176.600 -0.744 0.000 1.007 147 E CA 0.282 56.366 56.400 -0.527 0.000 1.028 147 E CB 0.290 29.847 29.700 -0.238 0.000 1.087 147 E HN 0.812 nan 8.360 nan 0.000 0.455 148 G N 2.189 110.120 108.800 -1.448 0.000 2.601 148 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.261 148 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.261 148 G C -0.082 174.525 174.900 -0.489 0.000 1.289 148 G CA -0.084 44.567 45.100 -0.749 0.000 0.920 148 G HN 0.371 nan 8.290 nan 0.000 0.571 149 D N 0.998 121.433 120.400 0.058 0.000 2.648 149 D HA 0.333 4.973 4.640 -0.000 0.000 0.229 149 D C 1.519 177.829 176.300 0.017 0.000 1.119 149 D CA 1.125 55.232 54.000 0.178 0.000 0.850 149 D CB 0.840 41.810 40.800 0.284 0.000 1.169 149 D HN 1.030 nan 8.370 nan 0.000 0.489 150 A N 4.223 127.014 122.820 -0.049 0.000 1.897 150 A HA -0.144 4.176 4.320 -0.000 0.000 0.215 150 A C 2.105 179.676 177.584 -0.022 0.000 1.181 150 A CA 0.961 52.911 52.037 -0.146 0.000 0.620 150 A CB -0.880 17.940 19.000 -0.299 0.000 0.821 150 A HN 0.823 nan 8.150 nan 0.000 0.443 151 W N -0.115 121.205 121.300 0.034 0.000 2.302 151 W HA -0.146 4.514 4.660 -0.000 0.000 0.320 151 W C 2.230 178.765 176.519 0.026 0.000 1.241 151 W CA 1.117 58.478 57.345 0.027 0.000 1.264 151 W CB -0.581 28.895 29.460 0.026 0.000 1.154 151 W HN 0.389 nan 8.180 nan 0.000 0.483 152 G N -1.180 107.794 108.800 0.291 0.000 3.295 152 G HA2 0.031 3.991 3.960 -0.000 0.000 0.231 152 G HA3 0.031 3.991 3.960 -0.000 0.000 0.231 152 G C -0.820 174.153 174.900 0.121 0.000 1.277 152 G CA -0.592 44.605 45.100 0.161 0.000 1.013 152 G HN 0.109 nan 8.290 nan 0.000 0.509 153 F N 0.224 120.135 119.950 -0.065 0.000 2.427 153 F HA 0.551 5.078 4.527 -0.000 0.000 0.346 153 F C 0.590 176.296 175.800 -0.156 0.000 1.120 153 F CA -0.069 57.842 58.000 -0.148 0.000 1.033 153 F CB 1.616 40.469 39.000 -0.245 0.000 1.126 153 F HN 0.061 nan 8.300 nan 0.000 0.462 154 D N 4.900 124.791 120.400 -0.849 0.000 2.504 154 D HA 0.100 4.740 4.640 -0.000 0.000 0.276 154 D C 0.718 176.474 176.300 -0.907 0.000 1.073 154 D CA -0.206 53.368 54.000 -0.711 0.000 0.905 154 D CB -0.198 40.403 40.800 -0.332 0.000 1.350 154 D HN 0.571 nan 8.370 nan 0.000 0.496 155 K N 0.595 120.445 120.400 -0.916 0.000 2.602 155 K HA -0.084 4.236 4.320 -0.000 0.000 0.272 155 K C -0.172 176.197 176.600 -0.384 0.000 0.993 155 K CA 0.625 56.585 56.287 -0.545 0.000 1.067 155 K CB 0.420 32.743 32.500 -0.296 0.000 0.805 155 K HN 0.211 nan 8.250 nan 0.000 0.480 156 K N 1.427 121.741 120.400 -0.143 0.000 2.179 156 K HA 0.546 4.866 4.320 -0.000 0.000 0.238 156 K C 0.309 176.942 176.600 0.056 0.000 1.033 156 K CA 0.024 56.284 56.287 -0.045 0.000 0.926 156 K CB 0.666 33.146 32.500 -0.033 0.000 1.151 156 K HN 0.893 nan 8.250 nan 0.000 0.492 157 G N 0.130 108.975 108.800 0.075 0.000 2.782 157 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.228 157 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.228 157 G C -2.434 172.566 174.900 0.167 0.000 1.372 157 G CA -0.824 44.334 45.100 0.097 0.000 0.862 157 G HN 0.520 nan 8.290 nan 0.000 0.547 158 P HA 0.394 nan 4.420 nan 0.000 0.267 158 P C -0.666 176.724 177.300 0.149 0.000 1.205 158 P CA 0.633 63.779 63.100 0.078 0.000 0.765 158 P CB 0.177 31.886 31.700 0.014 0.000 0.828 159 Y N 2.235 122.542 120.300 0.013 0.000 2.605 159 Y HA 0.766 5.316 4.550 -0.000 0.000 0.343 159 Y C -1.209 174.616 175.900 -0.125 0.000 1.036 159 Y CA -1.669 56.390 58.100 -0.069 0.000 1.065 159 Y CB 1.242 39.652 38.460 -0.084 0.000 1.288 159 Y HN 0.057 nan 8.280 nan 0.000 0.481 160 I N 2.045 122.534 120.570 -0.135 0.000 2.498 160 I HA 0.356 4.526 4.170 -0.000 0.000 0.290 160 I C -0.766 175.270 176.117 -0.134 0.000 1.032 160 I CA -1.048 60.123 61.300 -0.214 0.000 1.073 160 I CB 1.591 39.471 38.000 -0.200 0.000 1.251 160 I HN 0.865 nan 8.210 nan 0.000 0.426 161 E N 6.273 126.389 120.200 -0.140 0.000 2.166 161 E HA 0.581 4.931 4.350 -0.000 0.000 0.275 161 E C -1.341 175.089 176.600 -0.282 0.000 0.941 161 E CA -0.646 55.649 56.400 -0.175 0.000 0.784 161 E CB 1.510 31.153 29.700 -0.095 0.000 1.115 161 E HN 0.465 nan 8.360 nan 0.000 0.399 162 L N 3.975 125.018 121.223 -0.300 0.000 2.275 162 L HA 0.443 4.783 4.340 -0.000 0.000 0.288 162 L C -0.660 176.044 176.870 -0.276 0.000 1.046 162 L CA -0.968 53.665 54.840 -0.345 0.000 0.805 162 L CB 1.424 43.189 42.059 -0.490 0.000 1.193 162 L HN 0.307 nan 8.230 nan 0.000 0.426 163 V N 2.098 121.781 119.914 -0.384 0.000 2.340 163 V HA 0.196 4.316 4.120 -0.000 0.000 0.277 163 V C 0.016 175.892 176.094 -0.364 0.000 1.017 163 V CA -0.371 61.688 62.300 -0.402 0.000 0.820 163 V CB 1.478 32.889 31.823 -0.687 0.000 1.028 163 V HN 0.781 nan 8.190 nan 0.000 0.436 164 T N 3.237 117.691 114.554 -0.167 0.000 2.729 164 T HA 0.398 4.748 4.350 -0.000 0.000 0.296 164 T C 0.138 174.756 174.700 -0.137 0.000 0.928 164 T CA 0.060 62.068 62.100 -0.153 0.000 1.045 164 T CB 0.962 69.798 68.868 -0.054 0.000 0.902 164 T HN 0.587 nan 8.240 nan 0.000 0.500 165 S N 4.513 120.112 115.700 -0.168 0.000 2.672 165 S HA 0.525 4.995 4.470 -0.000 0.000 0.291 165 S C -2.885 171.829 174.600 0.190 0.000 1.145 165 S CA -1.741 56.461 58.200 0.002 0.000 1.013 165 S CB 0.990 64.195 63.200 0.008 0.000 1.017 165 S HN 0.239 nan 8.310 nan 0.000 0.487 166 P HA 0.085 nan 4.420 nan 0.000 0.262 166 P C -0.232 177.108 177.300 0.067 0.000 1.182 166 P CA 0.045 63.218 63.100 0.122 0.000 0.761 166 P CB 0.185 31.948 31.700 0.104 0.000 0.795 167 N N 2.930 121.634 118.700 0.007 0.000 2.340 167 N HA 0.006 4.746 4.740 -0.000 0.000 0.236 167 N C -0.182 175.265 175.510 -0.105 0.000 1.296 167 N CA 0.397 53.420 53.050 -0.046 0.000 0.896 167 N CB 0.098 38.549 38.487 -0.060 0.000 1.127 167 N HN 0.270 nan 8.380 nan 0.000 0.442 168 N N 1.007 119.607 118.700 -0.168 0.000 2.448 168 N HA 0.369 5.109 4.740 -0.000 0.000 0.279 168 N C -2.445 172.883 175.510 -0.304 0.000 1.025 168 N CA -1.893 50.983 53.050 -0.292 0.000 0.898 168 N CB 2.018 40.289 38.487 -0.359 0.000 1.303 168 N HN 0.357 nan 8.380 nan 0.000 0.495 169 P HA 0.115 nan 4.420 nan 0.000 0.238 169 P C 0.252 177.286 177.300 -0.443 0.000 1.183 169 P CA 0.536 63.297 63.100 -0.565 0.000 0.813 169 P CB 0.415 31.666 31.700 -0.748 0.000 0.944 170 D N -0.984 119.072 120.400 -0.573 0.000 2.340 170 D HA 0.112 4.752 4.640 -0.000 0.000 0.220 170 D C 1.520 177.868 176.300 0.080 0.000 1.039 170 D CA 0.488 54.254 54.000 -0.391 0.000 0.866 170 D CB -1.017 39.392 40.800 -0.652 0.000 0.913 170 D HN 0.190 nan 8.370 nan 0.000 0.523 171 G N -0.211 108.605 108.800 0.027 0.000 2.189 171 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.267 171 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.267 171 G C 0.520 175.471 174.900 0.085 0.000 0.975 171 G CA 0.701 45.814 45.100 0.021 0.000 0.644 171 G HN 0.502 nan 8.290 nan 0.000 0.537 172 T N 1.020 115.681 114.554 0.178 0.000 2.903 172 T HA 0.456 4.806 4.350 -0.000 0.000 0.314 172 T C 0.638 175.401 174.700 0.106 0.000 1.078 172 T CA 0.103 62.315 62.100 0.186 0.000 1.114 172 T CB 1.360 70.308 68.868 0.132 0.000 0.987 172 T HN 0.200 nan 8.240 nan 0.000 0.548 173 I N 2.737 123.378 120.570 0.117 0.000 2.395 173 I HA 0.296 4.466 4.170 -0.000 0.000 0.289 173 I C 0.947 177.111 176.117 0.078 0.000 1.023 173 I CA 0.187 61.545 61.300 0.096 0.000 1.350 173 I CB 0.429 38.494 38.000 0.108 0.000 1.409 173 I HN 0.452 nan 8.210 nan 0.000 0.507 174 R N 4.052 124.580 120.500 0.046 0.000 2.919 174 R HA 0.821 5.161 4.340 -0.000 0.000 0.260 174 R C -0.799 175.501 176.300 -0.001 0.000 1.067 174 R CA -1.035 55.073 56.100 0.013 0.000 1.003 174 R CB 2.129 32.408 30.300 -0.036 0.000 1.192 174 R HN 0.478 nan 8.270 nan 0.000 0.488 175 E N -0.376 119.804 120.200 -0.032 0.000 2.454 175 E HA 0.214 4.564 4.350 -0.000 0.000 0.279 175 E C -1.139 175.392 176.600 -0.115 0.000 1.029 175 E CA -0.504 55.877 56.400 -0.031 0.000 0.831 175 E CB 1.804 31.517 29.700 0.022 0.000 1.405 175 E HN 0.624 nan 8.360 nan 0.000 0.463 176 T N -1.620 112.866 114.554 -0.113 0.000 2.726 176 T HA 0.456 4.806 4.350 -0.000 0.000 0.294 176 T C 0.455 175.030 174.700 -0.207 0.000 1.013 176 T CA -0.031 61.966 62.100 -0.172 0.000 0.996 176 T CB 0.757 69.560 68.868 -0.108 0.000 1.016 176 T HN 0.806 nan 8.240 nan 0.000 0.529 177 V N -1.449 118.303 119.914 -0.270 0.000 3.138 177 V HA 0.703 4.823 4.120 -0.000 0.000 0.307 177 V C -0.508 175.437 176.094 -0.249 0.000 0.985 177 V CA -0.391 61.694 62.300 -0.359 0.000 1.291 177 V CB -0.341 30.944 31.823 -0.896 0.000 0.933 177 V HN 1.175 nan 8.190 nan 0.000 0.504 185 E N 0.812 121.000 120.200 -0.019 0.000 1.842 185 E HA 0.457 4.807 4.350 -0.000 0.000 0.278 185 E C -0.653 175.882 176.600 -0.108 0.000 1.171 185 E CA -0.366 56.000 56.400 -0.057 0.000 1.127 185 E CB 0.377 30.043 29.700 -0.055 0.000 1.100 185 E HN 0.305 nan 8.360 nan 0.000 0.456 186 A N 2.812 125.505 122.820 -0.212 0.000 2.435 186 A HA 0.785 5.105 4.320 -0.000 0.000 0.296 186 A C -0.505 176.803 177.584 -0.461 0.000 1.147 186 A CA -0.866 50.877 52.037 -0.491 0.000 0.775 186 A CB 1.617 19.968 19.000 -1.083 0.000 1.340 186 A HN 0.287 nan 8.150 nan 0.000 0.427 187 K N -0.975 119.110 120.400 -0.524 0.000 2.263 187 K HA 0.779 5.099 4.320 -0.000 0.000 0.249 187 K C -1.536 174.902 176.600 -0.270 0.000 1.076 187 K CA -0.599 55.515 56.287 -0.289 0.000 0.884 187 K CB 1.672 34.054 32.500 -0.197 0.000 1.394 187 K HN 1.038 nan 8.250 nan 0.000 0.476 188 V N 0.967 120.781 119.914 -0.167 0.000 2.932 188 V HA 0.586 4.706 4.120 -0.000 0.000 0.307 188 V C -1.637 174.364 176.094 -0.155 0.000 1.147 188 V CA -0.756 61.435 62.300 -0.182 0.000 0.951 188 V CB 1.923 33.656 31.823 -0.150 0.000 1.031 188 V HN 0.618 nan 8.190 nan 0.000 0.426 189 I N 5.327 125.735 120.570 -0.269 0.000 2.436 189 I HA 0.532 4.702 4.170 -0.000 0.000 0.289 189 I C -1.187 174.677 176.117 -0.421 0.000 1.010 189 I CA -0.570 60.590 61.300 -0.233 0.000 1.098 189 I CB 1.943 39.800 38.000 -0.238 0.000 1.266 189 I HN 0.704 nan 8.210 nan 0.000 0.434 190 H N 3.502 122.368 119.070 -0.340 0.000 2.476 190 H HA 0.308 4.864 4.556 -0.000 0.000 0.328 190 H C -0.882 174.060 175.328 -0.643 0.000 1.073 190 H CA -0.479 55.199 56.048 -0.617 0.000 1.229 190 H CB 1.292 30.618 29.762 -0.726 0.000 1.432 190 H HN 0.360 nan 8.280 nan 0.000 0.477 191 D N 3.592 123.623 120.400 -0.614 0.000 2.472 191 D HA 0.094 4.734 4.640 -0.000 0.000 0.234 191 D C -0.762 175.230 176.300 -0.512 0.000 1.088 191 D CA -0.513 53.229 54.000 -0.430 0.000 0.882 191 D CB -0.000 40.684 40.800 -0.193 0.000 1.037 191 D HN 0.367 nan 8.370 nan 0.000 0.520 192 F N 2.064 121.775 119.950 -0.399 0.000 2.837 192 F HA 0.341 4.868 4.527 -0.000 0.000 0.298 192 F C 1.965 177.632 175.800 -0.223 0.000 1.161 192 F CA -0.473 57.318 58.000 -0.349 0.000 1.353 192 F CB 0.093 38.786 39.000 -0.512 0.000 0.951 192 F HN 0.475 nan 8.300 nan 0.000 0.508 193 A N -0.707 122.066 122.820 -0.079 0.000 1.948 193 A HA -0.239 4.081 4.320 -0.000 0.000 0.220 193 A C 1.294 178.898 177.584 0.034 0.000 1.177 193 A CA 1.854 53.846 52.037 -0.075 0.000 0.636 193 A CB -0.879 17.890 19.000 -0.385 0.000 0.815 193 A HN 0.491 nan 8.150 nan 0.000 0.449 194 Y N -3.348 117.117 120.300 0.276 0.000 2.524 194 Y HA 0.215 4.765 4.550 -0.000 0.000 0.266 194 Y C 0.547 176.693 175.900 0.410 0.000 1.180 194 Y CA -0.724 57.527 58.100 0.251 0.000 1.244 194 Y CB -0.177 38.236 38.460 -0.078 0.000 1.125 194 Y HN 0.396 nan 8.280 nan 0.000 0.524 195 Y N 0.460 120.962 120.300 0.335 0.000 2.830 195 Y HA 0.223 4.773 4.550 -0.000 0.000 0.371 195 Y C -1.182 174.593 175.900 -0.209 0.000 1.246 195 Y CA -1.457 56.706 58.100 0.105 0.000 1.890 195 Y CB -0.899 37.604 38.460 0.071 0.000 1.995 195 Y HN 0.044 nan 8.280 nan 0.000 0.430 196 W N 3.316 124.711 121.300 0.160 0.000 2.864 196 W HA 0.377 5.037 4.660 -0.000 0.000 0.343 196 W C -1.544 174.940 176.519 -0.057 0.000 1.109 196 W CA -2.241 55.138 57.345 0.056 0.000 1.192 196 W CB 1.059 30.808 29.460 0.482 0.000 1.426 196 W HN 0.027 nan 8.180 nan 0.000 0.529 197 P HA -0.265 nan 4.420 nan 0.000 0.219 197 P C 1.256 178.727 177.300 0.285 0.000 1.146 197 P CA 2.045 65.084 63.100 -0.102 0.000 0.808 197 P CB -0.068 31.221 31.700 -0.686 0.000 0.779 198 H N -2.625 116.516 119.070 0.118 0.000 2.546 198 H HA -0.033 4.523 4.556 -0.000 0.000 0.277 198 H C 1.099 176.375 175.328 -0.087 0.000 1.004 198 H CA 0.873 56.926 56.048 0.008 0.000 1.231 198 H CB -1.170 28.503 29.762 -0.150 0.000 1.382 198 H HN 0.195 nan 8.280 nan 0.000 0.580 199 Y N 0.486 120.814 120.300 0.046 0.000 2.594 199 Y HA 0.288 4.838 4.550 -0.000 0.000 0.283 199 Y C 1.079 176.936 175.900 -0.072 0.000 1.140 199 Y CA 0.506 58.593 58.100 -0.023 0.000 1.261 199 Y CB 0.402 38.852 38.460 -0.017 0.000 1.358 199 Y HN 0.166 nan 8.280 nan 0.000 0.513 200 T N 1.729 116.353 114.554 0.117 0.000 2.900 200 T HA 0.411 4.761 4.350 -0.000 0.000 0.303 200 T C -3.039 171.649 174.700 -0.020 0.000 1.142 200 T CA -2.249 59.852 62.100 0.003 0.000 1.007 200 T CB 1.573 70.481 68.868 0.067 0.000 1.156 200 T HN -0.290 nan 8.240 nan 0.000 0.490 201 P HA 0.297 nan 4.420 nan 0.000 0.271 201 P C -0.542 176.727 177.300 -0.052 0.000 1.216 201 P CA -0.292 62.794 63.100 -0.024 0.000 0.776 201 P CB 0.313 32.002 31.700 -0.019 0.000 0.881 202 I N 2.844 123.343 120.570 -0.120 0.000 2.270 202 I HA -0.002 4.168 4.170 -0.000 0.000 0.300 202 I C 2.063 178.199 176.117 0.032 0.000 1.186 202 I CA 0.303 61.503 61.300 -0.167 0.000 1.431 202 I CB -0.817 37.019 38.000 -0.273 0.000 1.485 202 I HN 0.395 nan 8.210 nan 0.000 0.650 203 T N 2.591 117.230 114.554 0.141 0.000 2.821 203 T HA -0.093 4.257 4.350 -0.000 0.000 0.267 203 T C 0.893 175.682 174.700 0.149 0.000 1.046 203 T CA 0.578 62.778 62.100 0.167 0.000 1.139 203 T CB -0.017 68.951 68.868 0.166 0.000 0.871 203 T HN 0.598 nan 8.240 nan 0.000 0.454 204 R N -0.143 120.455 120.500 0.163 0.000 2.680 204 R HA 0.509 4.849 4.340 -0.000 0.000 0.269 204 R C -1.271 175.072 176.300 0.071 0.000 1.026 204 R CA -1.112 55.042 56.100 0.090 0.000 0.889 204 R CB 1.325 31.652 30.300 0.045 0.000 1.241 204 R HN 0.104 nan 8.270 nan 0.000 0.463 205 R N 2.813 123.316 120.500 0.005 0.000 2.248 205 R HA 0.114 4.454 4.340 -0.000 0.000 0.337 205 R C -0.587 175.655 176.300 -0.097 0.000 1.085 205 R CA -0.316 55.765 56.100 -0.033 0.000 0.934 205 R CB 0.801 31.079 30.300 -0.035 0.000 1.034 205 R HN 0.536 nan 8.270 nan 0.000 0.465 206 Q N 2.251 121.963 119.800 -0.146 0.000 2.373 206 Q HA 0.036 4.376 4.340 -0.000 0.000 0.255 206 Q C -0.652 175.208 176.000 -0.233 0.000 0.980 206 Q CA 0.431 56.072 55.803 -0.269 0.000 0.882 206 Q CB 1.265 29.696 28.738 -0.512 0.000 1.249 206 Q HN 0.574 nan 8.270 nan 0.000 0.438 207 D N 1.213 121.381 120.400 -0.386 0.000 2.978 207 D HA 0.156 4.796 4.640 -0.000 0.000 0.268 207 D C -1.057 174.987 176.300 -0.427 0.000 1.252 207 D CA -0.154 53.666 54.000 -0.301 0.000 0.771 207 D CB 0.044 40.702 40.800 -0.237 0.000 1.361 207 D HN 0.375 nan 8.370 nan 0.000 0.558 208 H N 0.009 119.021 119.070 -0.097 0.000 2.693 208 H HA 0.273 4.828 4.556 -0.000 0.000 0.348 208 H C 0.678 175.981 175.328 -0.041 0.000 1.222 208 H CA -0.584 55.381 56.048 -0.138 0.000 1.270 208 H CB 1.519 31.012 29.762 -0.448 0.000 1.798 208 H HN 0.089 nan 8.280 nan 0.000 0.592 209 D N 0.618 121.098 120.400 0.133 0.000 2.097 209 D HA -0.042 4.598 4.640 -0.000 0.000 0.195 209 D C 0.535 176.902 176.300 0.111 0.000 0.989 209 D CA 1.572 55.632 54.000 0.100 0.000 0.827 209 D CB 0.469 41.318 40.800 0.081 0.000 0.966 209 D HN 0.350 nan 8.370 nan 0.000 0.456 210 I N 0.670 121.320 120.570 0.133 0.000 2.439 210 I HA 0.256 4.426 4.170 -0.000 0.000 0.285 210 I C -0.544 175.653 176.117 0.134 0.000 1.021 210 I CA -0.269 61.099 61.300 0.114 0.000 1.091 210 I CB 1.802 39.835 38.000 0.056 0.000 1.242 210 I HN -0.326 nan 8.210 nan 0.000 0.439 211 M N 6.988 126.681 119.600 0.157 0.000 2.085 211 M HA 0.442 4.922 4.480 -0.000 0.000 0.309 211 M C -1.371 174.973 176.300 0.073 0.000 0.947 211 M CA -0.837 54.563 55.300 0.166 0.000 0.918 211 M CB 2.058 34.857 32.600 0.331 0.000 1.504 211 M HN 0.256 nan 8.290 nan 0.000 0.420 212 L N 3.952 125.091 121.223 -0.141 0.000 2.292 212 L HA 0.608 4.948 4.340 -0.000 0.000 0.284 212 L C -0.804 175.785 176.870 -0.469 0.000 1.065 212 L CA 0.263 54.995 54.840 -0.179 0.000 0.806 212 L CB 0.367 42.337 42.059 -0.149 0.000 1.175 212 L HN 0.454 nan 8.230 nan 0.000 0.431 213 F N 0.371 120.180 119.950 -0.236 0.000 2.593 213 F HA 0.687 5.214 4.527 -0.000 0.000 0.320 213 F C 0.409 175.861 175.800 -0.580 0.000 1.060 213 F CA -0.677 57.078 58.000 -0.408 0.000 0.940 213 F CB 2.376 40.968 39.000 -0.680 0.000 1.268 213 F HN 0.315 nan 8.300 nan 0.000 0.475 214 T N 1.517 115.937 114.554 -0.223 0.000 2.886 214 T HA 0.276 4.626 4.350 -0.000 0.000 0.292 214 T C 0.290 174.925 174.700 -0.109 0.000 1.012 214 T CA -0.414 61.574 62.100 -0.187 0.000 0.982 214 T CB 0.644 69.446 68.868 -0.109 0.000 1.018 214 T HN 0.571 nan 8.240 nan 0.000 0.451 215 F N 3.316 123.179 119.950 -0.144 0.000 2.113 215 F HA -0.027 4.500 4.527 -0.000 0.000 0.297 215 F C 2.471 178.242 175.800 -0.049 0.000 1.103 215 F CA 1.610 59.592 58.000 -0.031 0.000 1.248 215 F CB 0.015 39.073 39.000 0.097 0.000 0.999 215 F HN 0.675 nan 8.300 nan 0.000 0.475 216 S N 0.502 116.130 115.700 -0.121 0.000 2.413 216 S HA -0.247 4.223 4.470 -0.000 0.000 0.237 216 S C 1.639 176.172 174.600 -0.111 0.000 1.044 216 S CA 1.563 59.663 58.200 -0.165 0.000 1.024 216 S CB -0.339 62.844 63.200 -0.028 0.000 0.829 216 S HN 0.379 nan 8.310 nan 0.000 0.475 217 K N 0.486 120.837 120.400 -0.081 0.000 2.334 217 K HA 0.323 4.643 4.320 -0.000 0.000 0.195 217 K C 1.873 178.578 176.600 0.175 0.000 1.045 217 K CA 0.203 56.519 56.287 0.049 0.000 1.004 217 K CB -0.235 32.161 32.500 -0.173 0.000 0.837 217 K HN 0.411 nan 8.250 nan 0.000 0.510 218 I N 1.340 121.855 120.570 -0.091 0.000 2.094 218 I HA -0.230 3.940 4.170 -0.000 0.000 0.234 218 I C 2.291 178.284 176.117 -0.207 0.000 1.063 218 I CA 2.020 63.214 61.300 -0.176 0.000 1.328 218 I CB -0.678 36.961 38.000 -0.601 0.000 1.058 218 I HN 0.124 nan 8.210 nan 0.000 0.400 219 T N -2.406 111.876 114.554 -0.454 0.000 3.022 219 T HA 0.376 4.726 4.350 -0.000 0.000 0.250 219 T C 1.486 176.041 174.700 -0.242 0.000 1.060 219 T CA 0.424 62.238 62.100 -0.477 0.000 1.013 219 T CB 0.786 69.345 68.868 -0.514 0.000 0.982 219 T HN 0.635 nan 8.240 nan 0.000 0.508 220 G N 1.410 110.087 108.800 -0.205 0.000 2.175 220 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.244 220 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.244 220 G C -0.099 174.645 174.900 -0.261 0.000 0.982 220 G CA -0.009 45.087 45.100 -0.006 0.000 0.641 220 G HN 0.696 nan 8.290 nan 0.000 0.527 221 H N 0.805 119.549 119.070 -0.542 0.000 2.998 221 H HA 0.582 5.138 4.556 -0.000 0.000 0.241 221 H C 1.717 176.872 175.328 -0.288 0.000 1.852 221 H CA 0.697 56.463 56.048 -0.471 0.000 1.419 221 H CB 0.448 29.805 29.762 -0.675 0.000 1.793 221 H HN 0.440 nan 8.280 nan 0.000 0.553 222 A N 1.569 124.344 122.820 -0.074 0.000 1.968 222 A HA -0.045 4.275 4.320 -0.000 0.000 0.217 222 A C 2.539 180.143 177.584 0.033 0.000 1.169 222 A CA 1.204 53.237 52.037 -0.007 0.000 0.638 222 A CB -0.452 18.555 19.000 0.011 0.000 0.812 222 A HN 0.668 nan 8.150 nan 0.000 0.446 223 G N -1.105 107.713 108.800 0.030 0.000 2.848 223 G HA2 0.090 4.050 3.960 -0.000 0.000 0.208 223 G HA3 0.090 4.050 3.960 -0.000 0.000 0.208 223 G C 1.377 176.322 174.900 0.075 0.000 1.152 223 G CA 0.906 46.031 45.100 0.042 0.000 0.789 223 G HN 0.448 nan 8.290 nan 0.000 0.531 224 S N 0.450 116.224 115.700 0.124 0.000 2.428 224 S HA 0.034 4.504 4.470 -0.000 0.000 0.230 224 S C 1.012 175.704 174.600 0.152 0.000 1.014 224 S CA -0.040 58.261 58.200 0.169 0.000 0.957 224 S CB 0.044 63.442 63.200 0.330 0.000 0.784 224 S HN 0.375 nan 8.310 nan 0.000 0.499 225 R N 0.705 121.294 120.500 0.147 0.000 3.152 225 R HA -0.109 4.231 4.340 -0.000 0.000 0.252 225 R C -1.200 175.192 176.300 0.152 0.000 0.930 225 R CA 0.424 56.598 56.100 0.123 0.000 0.642 225 R CB -2.546 27.801 30.300 0.080 0.000 1.205 225 R HN 0.315 nan 8.270 nan 0.000 0.452 226 I N -0.389 120.312 120.570 0.220 0.000 2.534 226 I HA 0.602 4.772 4.170 -0.000 0.000 0.288 226 I C 0.976 177.257 176.117 0.273 0.000 1.077 226 I CA -0.313 61.130 61.300 0.240 0.000 1.051 226 I CB 2.215 40.340 38.000 0.209 0.000 1.234 226 I HN 0.357 nan 8.210 nan 0.000 0.425 227 G N 4.949 113.897 108.800 0.246 0.000 2.798 227 G HA2 0.794 4.753 3.960 -0.000 0.000 0.286 227 G HA3 0.794 4.753 3.960 -0.000 0.000 0.286 227 G C -2.266 172.846 174.900 0.354 0.000 1.389 227 G CA -0.578 44.614 45.100 0.152 0.000 0.894 227 G HN 0.635 nan 8.290 nan 0.000 0.488 228 W N -1.993 119.460 121.300 0.255 0.000 3.137 228 W HA 0.817 5.477 4.660 -0.000 0.000 0.324 228 W C -0.705 175.984 176.519 0.283 0.000 1.253 228 W CA -1.455 56.034 57.345 0.240 0.000 1.183 228 W CB 1.403 30.998 29.460 0.225 0.000 1.424 228 W HN 0.975 nan 8.180 nan 0.000 0.566 229 A N 2.538 125.641 122.820 0.471 0.000 2.356 229 A HA 0.825 5.145 4.320 -0.000 0.000 0.310 229 A C -1.612 176.186 177.584 0.357 0.000 1.075 229 A CA -1.013 51.222 52.037 0.330 0.000 0.746 229 A CB 1.010 20.135 19.000 0.208 0.000 1.221 229 A HN 0.764 nan 8.150 nan 0.000 0.443 230 L N 2.701 124.126 121.223 0.336 0.000 2.272 230 L HA 0.613 4.953 4.340 -0.000 0.000 0.289 230 L C -0.869 176.110 176.870 0.183 0.000 1.032 230 L CA -0.775 54.212 54.840 0.244 0.000 0.810 230 L CB 1.422 43.619 42.059 0.230 0.000 1.205 230 L HN 0.401 nan 8.230 nan 0.000 0.422 231 V N 3.606 123.624 119.914 0.174 0.000 2.531 231 V HA 0.261 4.381 4.120 -0.000 0.000 0.301 231 V C 0.538 176.754 176.094 0.203 0.000 1.034 231 V CA -0.704 61.700 62.300 0.172 0.000 0.865 231 V CB 1.888 33.813 31.823 0.170 0.000 0.995 231 V HN 0.697 nan 8.190 nan 0.000 0.424 232 K N 1.074 121.563 120.400 0.148 0.000 2.021 232 K HA -0.001 4.319 4.320 -0.000 0.000 0.205 232 K C 0.751 177.482 176.600 0.218 0.000 1.047 232 K CA 0.726 57.097 56.287 0.139 0.000 0.943 232 K CB 0.110 32.656 32.500 0.077 0.000 0.725 232 K HN 0.727 nan 8.250 nan 0.000 0.439 233 D N 1.669 122.158 120.400 0.148 0.000 2.371 233 D HA -0.059 4.581 4.640 -0.000 0.000 0.256 233 D C 0.758 177.104 176.300 0.076 0.000 1.193 233 D CA 0.388 54.450 54.000 0.104 0.000 0.881 233 D CB 1.178 42.008 40.800 0.050 0.000 1.143 233 D HN 0.026 nan 8.370 nan 0.000 0.473 234 K N 3.296 123.716 120.400 0.032 0.000 2.103 234 K HA -0.231 4.089 4.320 -0.000 0.000 0.207 234 K C 1.166 177.633 176.600 -0.221 0.000 1.048 234 K CA 1.264 57.396 56.287 -0.260 0.000 0.930 234 K CB 0.200 32.605 32.500 -0.158 0.000 0.716 234 K HN 0.253 nan 8.250 nan 0.000 0.444 235 E N 0.013 120.160 120.200 -0.089 0.000 2.230 235 E HA -0.041 4.309 4.350 -0.000 0.000 0.192 235 E C 1.753 178.331 176.600 -0.036 0.000 0.987 235 E CA 0.486 56.851 56.400 -0.058 0.000 0.841 235 E CB 0.269 29.953 29.700 -0.027 0.000 0.783 235 E HN 0.122 nan 8.360 nan 0.000 0.481 236 V N 0.491 120.392 119.914 -0.021 0.000 2.379 236 V HA -0.195 3.925 4.120 -0.000 0.000 0.245 236 V C 2.262 178.358 176.094 0.003 0.000 1.044 236 V CA 1.581 63.881 62.300 -0.000 0.000 1.036 236 V CB -0.789 31.040 31.823 0.010 0.000 0.664 236 V HN 0.355 nan 8.190 nan 0.000 0.453 237 A N 0.030 122.838 122.820 -0.020 0.000 1.917 237 A HA -0.285 4.035 4.320 -0.000 0.000 0.219 237 A C 2.294 179.855 177.584 -0.039 0.000 1.182 237 A CA 2.208 54.230 52.037 -0.024 0.000 0.633 237 A CB -0.484 18.469 19.000 -0.080 0.000 0.819 237 A HN 0.546 nan 8.150 nan 0.000 0.448 238 K N -0.491 119.866 120.400 -0.071 0.000 2.057 238 K HA -0.130 4.190 4.320 -0.000 0.000 0.207 238 K C 2.011 178.636 176.600 0.041 0.000 1.049 238 K CA 1.441 57.711 56.287 -0.027 0.000 0.931 238 K CB -0.111 32.368 32.500 -0.035 0.000 0.714 238 K HN 0.331 nan 8.250 nan 0.000 0.440 239 K N 0.501 120.934 120.400 0.055 0.000 2.076 239 K HA 0.022 4.342 4.320 -0.000 0.000 0.204 239 K C 2.129 178.820 176.600 0.151 0.000 1.051 239 K CA 0.986 57.341 56.287 0.114 0.000 0.949 239 K CB -0.129 32.436 32.500 0.107 0.000 0.726 239 K HN 0.189 nan 8.250 nan 0.000 0.443 240 M N 0.838 120.502 119.600 0.107 0.000 2.106 240 M HA -0.190 4.290 4.480 -0.000 0.000 0.259 240 M C 2.302 178.709 176.300 0.178 0.000 1.068 240 M CA 1.482 56.855 55.300 0.120 0.000 1.100 240 M CB -0.603 32.045 32.600 0.080 0.000 1.351 240 M HN -0.145 nan 8.290 nan 0.000 0.404 241 V N 0.243 120.235 119.914 0.131 0.000 2.295 241 V HA -0.251 3.869 4.120 -0.000 0.000 0.246 241 V C 2.061 178.260 176.094 0.175 0.000 1.049 241 V CA 2.007 64.394 62.300 0.144 0.000 1.024 241 V CB -0.718 31.108 31.823 0.006 0.000 0.648 241 V HN 0.468 nan 8.190 nan 0.000 0.447 242 E N -0.947 119.348 120.200 0.158 0.000 2.085 242 E HA -0.277 4.073 4.350 -0.000 0.000 0.194 242 E C 2.068 178.736 176.600 0.114 0.000 0.994 242 E CA 1.786 58.275 56.400 0.149 0.000 0.801 242 E CB -0.319 29.470 29.700 0.148 0.000 0.743 242 E HN 0.759 nan 8.360 nan 0.000 0.453 243 Y N 1.095 121.390 120.300 -0.009 0.000 2.151 243 Y HA -0.259 4.291 4.550 0.000 0.000 0.284 243 Y C 1.881 177.724 175.900 -0.095 0.000 1.166 243 Y CA 1.682 59.704 58.100 -0.130 0.000 1.163 243 Y CB -0.076 38.279 38.460 -0.176 0.000 0.974 243 Y HN -0.017 nan 8.280 nan 0.000 0.511 244 I N -0.337 120.276 120.570 0.072 0.000 2.286 244 I HA -0.284 3.886 4.170 -0.000 0.000 0.245 244 I C 2.273 178.241 176.117 -0.249 0.000 1.104 244 I CA 1.250 62.505 61.300 -0.075 0.000 1.397 244 I CB -0.372 37.657 38.000 0.047 0.000 1.072 244 I HN 0.246 nan 8.210 nan 0.000 0.417 245 I N 0.367 120.842 120.570 -0.159 0.000 2.194 245 I HA -0.284 3.886 4.170 -0.000 0.000 0.246 245 I C 2.420 178.466 176.117 -0.118 0.000 1.093 245 I CA 1.385 62.613 61.300 -0.120 0.000 1.355 245 I CB -0.389 37.676 38.000 0.108 0.000 1.046 245 I HN 0.047 nan 8.210 nan 0.000 0.413 246 V N 0.455 120.286 119.914 -0.139 0.000 2.667 246 V HA -0.218 3.902 4.120 -0.000 0.000 0.252 246 V C 2.102 178.056 176.094 -0.234 0.000 1.065 246 V CA 1.746 63.949 62.300 -0.161 0.000 1.083 246 V CB -0.909 30.819 31.823 -0.159 0.000 0.692 246 V HN 0.508 nan 8.190 nan 0.000 0.468 247 N N 0.430 118.923 118.700 -0.345 0.000 2.207 247 N HA -0.099 4.641 4.740 -0.000 0.000 0.182 247 N C 1.423 176.805 175.510 -0.212 0.000 1.020 247 N CA 1.653 54.488 53.050 -0.359 0.000 0.858 247 N CB 0.295 38.449 38.487 -0.555 0.000 0.991 247 N HN 0.595 nan 8.380 nan 0.000 0.427 248 S N -0.620 114.955 115.700 -0.209 0.000 2.976 248 S HA 0.229 4.699 4.470 -0.000 0.000 0.252 248 S C 0.217 174.714 174.600 -0.172 0.000 0.940 248 S CA -0.496 57.609 58.200 -0.158 0.000 1.283 248 S CB 0.171 63.285 63.200 -0.144 0.000 1.194 248 S HN 0.206 nan 8.310 nan 0.000 0.662 249 I N 2.339 122.787 120.570 -0.203 0.000 6.347 249 I HA -0.196 3.974 4.170 -0.000 0.000 0.126 249 I C 1.169 177.055 176.117 -0.385 0.000 1.576 249 I CA 1.157 62.334 61.300 -0.206 0.000 2.463 249 I CB -2.740 35.189 38.000 -0.118 0.000 2.990 249 I HN 1.072 nan 8.210 nan 0.000 0.281 250 G N 1.435 109.734 108.800 -0.834 0.000 2.527 250 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.227 250 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.227 250 G C -0.511 174.029 174.900 -0.601 0.000 1.291 250 G CA -0.234 44.012 45.100 -1.423 0.000 0.904 250 G HN 0.886 nan 8.290 nan 0.000 0.577 251 V N -0.445 119.285 119.914 -0.306 0.000 2.841 251 V HA 0.679 4.798 4.120 -0.000 0.000 0.310 251 V C 0.833 176.931 176.094 0.008 0.000 1.090 251 V CA 0.048 62.309 62.300 -0.065 0.000 0.930 251 V CB 1.672 33.533 31.823 0.063 0.000 1.014 251 V HN 1.707 nan 8.190 nan 0.000 0.425 252 S N 2.002 117.707 115.700 0.009 0.000 2.673 252 S HA -0.006 4.464 4.470 -0.000 0.000 0.308 252 S C 1.236 175.849 174.600 0.022 0.000 1.246 252 S CA -0.068 58.138 58.200 0.010 0.000 1.077 252 S CB 0.169 63.375 63.200 0.011 0.000 0.814 252 S HN 0.732 nan 8.310 nan 0.000 0.503 253 K N 3.530 123.941 120.400 0.020 0.000 2.020 253 K HA -0.137 4.183 4.320 -0.000 0.000 0.212 253 K C 2.218 178.818 176.600 0.001 0.000 1.050 253 K CA 2.134 58.435 56.287 0.024 0.000 0.929 253 K CB -0.224 32.288 32.500 0.020 0.000 0.714 253 K HN 0.827 nan 8.250 nan 0.000 0.443 254 E N -0.211 119.984 120.200 -0.008 0.000 2.150 254 E HA -0.127 4.223 4.350 -0.000 0.000 0.193 254 E C 2.016 178.600 176.600 -0.026 0.000 0.985 254 E CA 1.013 57.401 56.400 -0.019 0.000 0.814 254 E CB -0.550 29.140 29.700 -0.016 0.000 0.752 254 E HN 0.072 nan 8.360 nan 0.000 0.466 255 S N 0.976 116.668 115.700 -0.012 0.000 2.359 255 S HA -0.180 4.290 4.470 -0.000 0.000 0.224 255 S C 2.038 176.603 174.600 -0.059 0.000 1.035 255 S CA 1.463 59.656 58.200 -0.011 0.000 1.018 255 S CB -0.093 63.119 63.200 0.021 0.000 0.876 255 S HN 0.345 nan 8.310 nan 0.000 0.448 256 Q N -0.135 119.637 119.800 -0.047 0.000 2.079 256 Q HA -0.043 4.297 4.340 -0.000 0.000 0.200 256 Q C 2.244 178.170 176.000 -0.124 0.000 0.974 256 Q CA 1.336 57.091 55.803 -0.079 0.000 0.840 256 Q CB -0.259 28.467 28.738 -0.021 0.000 0.898 256 Q HN 0.383 nan 8.270 nan 0.000 0.430 257 V N 0.969 120.830 119.914 -0.089 0.000 2.490 257 V HA -0.258 3.862 4.120 -0.000 0.000 0.250 257 V C 2.287 178.304 176.094 -0.128 0.000 1.061 257 V CA 1.755 63.998 62.300 -0.095 0.000 1.064 257 V CB -0.478 31.309 31.823 -0.059 0.000 0.670 257 V HN 0.287 nan 8.190 nan 0.000 0.461 258 R N -0.543 119.875 120.500 -0.136 0.000 2.066 258 R HA -0.099 4.241 4.340 -0.000 0.000 0.224 258 R C 2.422 178.558 176.300 -0.274 0.000 1.122 258 R CA 1.669 57.674 56.100 -0.159 0.000 0.974 258 R CB -0.372 29.866 30.300 -0.102 0.000 0.871 258 R HN 0.485 nan 8.270 nan 0.000 0.435 259 T N 1.168 115.486 114.554 -0.392 0.000 2.665 259 T HA -0.197 4.153 4.350 -0.000 0.000 0.268 259 T C 1.834 176.181 174.700 -0.588 0.000 1.035 259 T CA 1.537 63.157 62.100 -0.800 0.000 1.151 259 T CB -0.413 67.889 68.868 -0.942 0.000 0.862 259 T HN 0.446 nan 8.240 nan 0.000 0.438 260 A N 1.679 124.268 122.820 -0.385 0.000 1.884 260 A HA -0.269 4.051 4.320 -0.000 0.000 0.219 260 A C 2.187 179.631 177.584 -0.234 0.000 1.197 260 A CA 2.520 54.386 52.037 -0.284 0.000 0.637 260 A CB -0.659 18.220 19.000 -0.202 0.000 0.827 260 A HN 0.448 nan 8.150 nan 0.000 0.450 261 K N -0.368 119.909 120.400 -0.205 0.000 2.025 261 K HA -0.052 4.268 4.320 -0.000 0.000 0.207 261 K C 1.729 178.232 176.600 -0.162 0.000 1.049 261 K CA 1.581 57.777 56.287 -0.151 0.000 0.933 261 K CB -0.330 32.097 32.500 -0.123 0.000 0.714 261 K HN 0.394 nan 8.250 nan 0.000 0.438 262 I N 0.960 121.383 120.570 -0.246 0.000 2.226 262 I HA -0.237 3.933 4.170 -0.000 0.000 0.245 262 I C 2.205 178.210 176.117 -0.188 0.000 1.100 262 I CA 1.283 62.409 61.300 -0.289 0.000 1.374 262 I CB -0.876 36.804 38.000 -0.532 0.000 1.057 262 I HN 0.234 nan 8.210 nan 0.000 0.413 263 L N 0.390 121.477 121.223 -0.227 0.000 2.141 263 L HA -0.208 4.131 4.340 -0.000 0.000 0.209 263 L C 2.293 179.088 176.870 -0.124 0.000 1.094 263 L CA 1.091 55.823 54.840 -0.181 0.000 0.763 263 L CB -0.529 41.364 42.059 -0.277 0.000 0.908 263 L HN 0.321 nan 8.230 nan 0.000 0.437 264 N N -0.282 118.346 118.700 -0.119 0.000 2.109 264 N HA -0.127 4.613 4.740 -0.000 0.000 0.188 264 N C 1.911 177.404 175.510 -0.028 0.000 1.034 264 N CA 1.070 54.075 53.050 -0.074 0.000 0.846 264 N CB -0.491 37.949 38.487 -0.078 0.000 1.010 264 N HN 0.014 nan 8.380 nan 0.000 0.425 265 V N 1.947 121.855 119.914 -0.009 0.000 2.278 265 V HA -0.239 3.881 4.120 -0.000 0.000 0.251 265 V C 2.425 178.563 176.094 0.072 0.000 1.062 265 V CA 1.440 63.771 62.300 0.052 0.000 1.038 265 V CB -0.645 31.247 31.823 0.116 0.000 0.646 265 V HN 0.255 nan 8.190 nan 0.000 0.447 266 L N 0.369 121.633 121.223 0.068 0.000 2.079 266 L HA -0.198 4.142 4.340 -0.000 0.000 0.210 266 L C 2.323 179.186 176.870 -0.012 0.000 1.081 266 L CA 2.289 57.123 54.840 -0.010 0.000 0.752 266 L CB -1.004 40.964 42.059 -0.151 0.000 0.896 266 L HN 0.349 nan 8.230 nan 0.000 0.433 267 K N -0.404 120.003 120.400 0.011 0.000 2.062 267 K HA -0.144 4.176 4.320 -0.000 0.000 0.205 267 K C 1.829 178.464 176.600 0.059 0.000 1.051 267 K CA 1.444 57.761 56.287 0.049 0.000 0.941 267 K CB -0.089 32.424 32.500 0.022 0.000 0.719 267 K HN 0.502 nan 8.250 nan 0.000 0.440 268 E N -0.293 119.931 120.200 0.039 0.000 2.338 268 E HA -0.132 4.218 4.350 -0.000 0.000 0.197 268 E C 1.617 178.250 176.600 0.056 0.000 1.007 268 E CA 1.017 57.442 56.400 0.041 0.000 0.849 268 E CB 0.048 29.764 29.700 0.027 0.000 0.774 268 E HN 0.227 nan 8.360 nan 0.000 0.506 269 T N -0.328 114.263 114.554 0.063 0.000 2.985 269 T HA -0.078 4.272 4.350 -0.000 0.000 0.266 269 T C 1.809 176.575 174.700 0.110 0.000 1.076 269 T CA 0.606 62.751 62.100 0.075 0.000 1.135 269 T CB -0.140 68.771 68.868 0.071 0.000 0.890 269 T HN 0.309 nan 8.240 nan 0.000 0.480 270 C N 1.962 121.347 119.300 0.141 0.000 2.432 270 C HA 0.043 4.503 4.460 -0.000 0.000 0.280 270 C C 2.003 177.085 174.990 0.154 0.000 1.353 270 C CA 0.456 59.605 59.018 0.219 0.000 1.766 270 C CB -0.921 27.009 27.740 0.315 0.000 1.924 270 C HN 0.652 nan 8.230 nan 0.000 0.509 271 K N 0.732 121.195 120.400 0.105 0.000 2.745 271 K HA 0.164 4.484 4.320 -0.000 0.000 0.223 271 K C 0.082 176.720 176.600 0.064 0.000 1.057 271 K CA 0.303 56.633 56.287 0.071 0.000 1.217 271 K CB 0.120 32.652 32.500 0.053 0.000 0.993 271 K HN 0.283 nan 8.250 nan 0.000 0.478 272 S N 0.360 116.108 115.700 0.080 0.000 2.526 272 S HA 0.201 4.671 4.470 -0.000 0.000 0.293 272 S C 0.390 175.040 174.600 0.082 0.000 1.092 272 S CA -0.742 57.501 58.200 0.071 0.000 0.980 272 S CB 1.676 64.917 63.200 0.068 0.000 1.048 272 S HN 0.304 nan 8.310 nan 0.000 0.483 273 E N 1.653 121.892 120.200 0.065 0.000 2.250 273 E HA 0.022 4.372 4.350 -0.000 0.000 0.192 273 E C 0.568 177.209 176.600 0.068 0.000 0.986 273 E CA 0.185 56.623 56.400 0.065 0.000 0.849 273 E CB -0.112 29.616 29.700 0.045 0.000 0.797 273 E HN 0.546 nan 8.360 nan 0.000 0.482 274 S N 1.571 117.309 115.700 0.063 0.000 2.596 274 S HA -0.086 4.384 4.470 -0.000 0.000 0.298 274 S C 0.816 175.468 174.600 0.087 0.000 1.255 274 S CA 0.066 58.303 58.200 0.063 0.000 1.083 274 S CB 0.187 63.418 63.200 0.052 0.000 0.837 274 S HN 0.095 nan 8.310 nan 0.000 0.499 275 E N 2.891 123.139 120.200 0.081 0.000 2.485 275 E HA -0.030 4.320 4.350 -0.000 0.000 0.194 275 E C 1.245 177.938 176.600 0.155 0.000 1.098 275 E CA 0.489 56.948 56.400 0.097 0.000 0.878 275 E CB 0.090 29.823 29.700 0.055 0.000 0.939 275 E HN 0.754 nan 8.360 nan 0.000 0.503 276 S N -1.312 114.479 115.700 0.151 0.000 2.631 276 S HA 0.122 4.592 4.470 -0.000 0.000 0.246 276 S C 1.449 176.124 174.600 0.125 0.000 1.068 276 S CA -0.451 57.858 58.200 0.182 0.000 0.995 276 S CB 0.435 63.701 63.200 0.111 0.000 0.944 276 S HN 0.047 nan 8.310 nan 0.000 0.529 277 E N 2.108 122.367 120.200 0.099 0.000 2.057 277 E HA 0.070 4.420 4.350 -0.000 0.000 0.190 277 E C 0.355 177.046 176.600 0.153 0.000 0.969 277 E CA 0.121 56.571 56.400 0.083 0.000 0.812 277 E CB -0.323 29.400 29.700 0.038 0.000 0.777 277 E HN 0.488 nan 8.360 nan 0.000 0.455 278 N N 1.683 120.465 118.700 0.136 0.000 2.396 278 N HA -0.115 4.625 4.740 -0.000 0.000 0.287 278 N C 0.678 176.239 175.510 0.085 0.000 1.316 278 N CA 0.039 53.175 53.050 0.143 0.000 0.972 278 N CB -0.047 38.551 38.487 0.184 0.000 1.341 278 N HN 0.046 nan 8.380 nan 0.000 0.487 279 F N 4.790 124.629 119.950 -0.185 0.000 2.063 279 F HA -0.298 4.229 4.527 0.000 0.000 0.298 279 F C 1.226 176.792 175.800 -0.390 0.000 1.105 279 F CA 1.866 59.540 58.000 -0.542 0.000 1.215 279 F CB -0.298 38.240 39.000 -0.769 0.000 0.972 279 F HN 0.511 nan 8.300 nan 0.000 0.483 280 F N -0.242 119.673 119.950 -0.058 0.000 2.293 280 F HA -0.123 4.404 4.527 -0.000 0.000 0.300 280 F C 2.196 178.118 175.800 0.204 0.000 1.086 280 F CA 1.026 59.000 58.000 -0.043 0.000 1.375 280 F CB -0.402 38.628 39.000 0.051 0.000 1.045 280 F HN -0.092 nan 8.300 nan 0.000 0.516 281 K N -0.458 120.173 120.400 0.385 0.000 2.314 281 K HA -0.085 4.235 4.320 -0.000 0.000 0.198 281 K C 1.749 178.368 176.600 0.032 0.000 1.045 281 K CA 0.630 57.062 56.287 0.242 0.000 0.988 281 K CB -0.588 32.055 32.500 0.239 0.000 0.783 281 K HN 0.295 nan 8.250 nan 0.000 0.484 282 Y N -0.219 119.980 120.300 -0.168 0.000 2.163 282 Y HA -0.033 4.517 4.550 -0.000 0.000 0.288 282 Y C 1.949 177.648 175.900 -0.336 0.000 1.136 282 Y CA 2.159 60.096 58.100 -0.271 0.000 1.147 282 Y CB -0.589 37.635 38.460 -0.394 0.000 0.987 282 Y HN 0.074 nan 8.280 nan 0.000 0.509 283 G N 0.194 108.689 108.800 -0.509 0.000 2.418 283 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.217 283 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.217 283 G C 1.797 176.592 174.900 -0.176 0.000 1.158 283 G CA 0.841 45.702 45.100 -0.398 0.000 0.771 283 G HN 0.384 nan 8.290 nan 0.000 0.545 284 R N 0.032 120.498 120.500 -0.056 0.000 2.075 284 R HA -0.057 4.283 4.340 -0.000 0.000 0.232 284 R C 2.453 178.714 176.300 -0.064 0.000 1.126 284 R CA 1.550 57.672 56.100 0.037 0.000 0.963 284 R CB -0.216 30.148 30.300 0.107 0.000 0.858 284 R HN 0.267 nan 8.270 nan 0.000 0.435 285 E N 0.734 120.837 120.200 -0.163 0.000 2.058 285 E HA -0.232 4.118 4.350 -0.000 0.000 0.194 285 E C 1.884 178.335 176.600 -0.249 0.000 0.997 285 E CA 1.627 57.912 56.400 -0.193 0.000 0.801 285 E CB -0.228 29.352 29.700 -0.200 0.000 0.746 285 E HN 0.283 nan 8.360 nan 0.000 0.450 286 M N -0.763 118.618 119.600 -0.365 0.000 2.106 286 M HA -0.220 4.260 4.480 -0.000 0.000 0.259 286 M C 1.445 177.589 176.300 -0.260 0.000 1.068 286 M CA 1.473 56.556 55.300 -0.363 0.000 1.100 286 M CB -0.034 32.262 32.600 -0.507 0.000 1.351 286 M HN 0.156 nan 8.290 nan 0.000 0.404 287 M N -0.285 119.207 119.600 -0.180 0.000 2.288 287 M HA -0.105 4.375 4.480 -0.000 0.000 0.266 287 M C 1.994 178.165 176.300 -0.216 0.000 1.072 287 M CA 1.370 56.635 55.300 -0.058 0.000 1.132 287 M CB -1.175 31.510 32.600 0.142 0.000 1.386 287 M HN 0.313 nan 8.290 nan 0.000 0.432 288 K N 0.369 120.502 120.400 -0.445 0.000 2.031 288 K HA -0.170 4.150 4.320 -0.000 0.000 0.205 288 K C 1.882 178.270 176.600 -0.353 0.000 1.049 288 K CA 1.455 57.266 56.287 -0.793 0.000 0.939 288 K CB -0.030 32.214 32.500 -0.428 0.000 0.717 288 K HN 0.136 nan 8.250 nan 0.000 0.438 289 N N 1.009 119.578 118.700 -0.218 0.000 2.104 289 N HA -0.153 4.587 4.740 -0.000 0.000 0.190 289 N C 1.690 177.157 175.510 -0.071 0.000 1.024 289 N CA 1.494 54.472 53.050 -0.119 0.000 0.853 289 N CB 0.040 38.462 38.487 -0.108 0.000 1.008 289 N HN 0.153 nan 8.380 nan 0.000 0.424 290 R N -1.457 118.952 120.500 -0.152 0.000 2.081 290 R HA -0.104 4.236 4.340 -0.000 0.000 0.235 290 R C 1.901 178.161 176.300 -0.067 0.000 1.131 290 R CA 1.556 57.516 56.100 -0.233 0.000 0.960 290 R CB -0.368 29.534 30.300 -0.663 0.000 0.856 290 R HN 0.382 nan 8.270 nan 0.000 0.436 291 W N 0.886 122.083 121.300 -0.171 0.000 2.476 291 W HA -0.036 4.624 4.660 -0.000 0.000 0.281 291 W C 2.015 178.540 176.519 0.011 0.000 1.230 291 W CA 0.730 58.047 57.345 -0.047 0.000 1.287 291 W CB 0.049 29.450 29.460 -0.098 0.000 1.108 291 W HN 0.135 nan 8.180 nan 0.000 0.567 292 E N 0.160 120.454 120.200 0.158 0.000 2.106 292 E HA -0.198 4.151 4.350 -0.000 0.000 0.192 292 E C 1.969 178.638 176.600 0.114 0.000 0.984 292 E CA 1.317 57.792 56.400 0.125 0.000 0.806 292 E CB -0.034 29.696 29.700 0.050 0.000 0.750 292 E HN 0.232 nan 8.360 nan 0.000 0.458 293 K N 0.452 120.920 120.400 0.113 0.000 1.973 293 K HA -0.183 4.137 4.320 -0.000 0.000 0.212 293 K C 2.217 178.865 176.600 0.080 0.000 1.047 293 K CA 1.124 57.472 56.287 0.102 0.000 0.937 293 K CB -0.407 32.189 32.500 0.159 0.000 0.721 293 K HN 0.046 nan 8.250 nan 0.000 0.440 294 L N 1.831 123.137 121.223 0.138 0.000 2.089 294 L HA -0.233 4.107 4.340 -0.000 0.000 0.213 294 L C 2.286 179.189 176.870 0.056 0.000 1.079 294 L CA 1.728 56.600 54.840 0.055 0.000 0.758 294 L CB -0.404 41.670 42.059 0.026 0.000 0.891 294 L HN 0.035 nan 8.230 nan 0.000 0.433 295 R N -0.329 120.249 120.500 0.130 0.000 2.081 295 R HA -0.141 4.199 4.340 -0.000 0.000 0.235 295 R C 2.150 178.512 176.300 0.103 0.000 1.131 295 R CA 1.675 57.873 56.100 0.164 0.000 0.960 295 R CB -0.211 30.226 30.300 0.228 0.000 0.856 295 R HN 0.556 nan 8.270 nan 0.000 0.436 296 E N -0.770 119.474 120.200 0.072 0.000 2.013 296 E HA -0.235 4.115 4.350 -0.000 0.000 0.202 296 E C 1.916 178.530 176.600 0.024 0.000 1.018 296 E CA 2.007 58.432 56.400 0.041 0.000 0.834 296 E CB -0.274 29.439 29.700 0.022 0.000 0.770 296 E HN 0.049 nan 8.360 nan 0.000 0.459 297 V N 0.970 120.881 119.914 -0.006 0.000 2.250 297 V HA -0.330 3.790 4.120 -0.000 0.000 0.253 297 V C 2.376 178.485 176.094 0.026 0.000 1.065 297 V CA 1.975 64.257 62.300 -0.029 0.000 1.039 297 V CB -0.738 31.017 31.823 -0.113 0.000 0.647 297 V HN 0.170 nan 8.190 nan 0.000 0.446 298 V N -0.478 119.470 119.914 0.058 0.000 2.407 298 V HA -0.294 3.826 4.120 -0.000 0.000 0.248 298 V C 2.442 178.593 176.094 0.095 0.000 1.055 298 V CA 2.371 64.746 62.300 0.125 0.000 1.049 298 V CB -0.682 31.222 31.823 0.135 0.000 0.662 298 V HN 0.561 nan 8.190 nan 0.000 0.455 299 K N 0.823 121.265 120.400 0.069 0.000 1.985 299 K HA -0.179 4.141 4.320 -0.000 0.000 0.210 299 K C 1.690 178.304 176.600 0.023 0.000 1.047 299 K CA 1.700 58.017 56.287 0.050 0.000 0.932 299 K CB -0.220 32.310 32.500 0.050 0.000 0.716 299 K HN 0.699 nan 8.250 nan 0.000 0.439 300 E N 1.198 121.406 120.200 0.013 0.000 2.352 300 E HA 0.018 4.368 4.350 -0.000 0.000 0.197 300 E C -0.649 175.936 176.600 -0.025 0.000 1.224 300 E CA 0.072 56.468 56.400 -0.008 0.000 1.118 300 E CB 0.166 29.859 29.700 -0.011 0.000 1.198 300 E HN -0.028 nan 8.360 nan 0.000 0.454 301 S N -0.524 115.160 115.700 -0.026 0.000 2.570 301 S HA 0.399 4.869 4.470 -0.000 0.000 0.286 301 S C 0.305 174.831 174.600 -0.123 0.000 1.099 301 S CA -0.075 58.076 58.200 -0.081 0.000 0.913 301 S CB 1.762 64.931 63.200 -0.051 0.000 1.085 301 S HN 0.421 nan 8.310 nan 0.000 0.480 302 D N 0.256 120.535 120.400 -0.201 0.000 2.367 302 D HA 0.504 5.144 4.640 -0.000 0.000 0.207 302 D C 1.337 177.499 176.300 -0.230 0.000 1.034 302 D CA 0.836 54.730 54.000 -0.177 0.000 0.861 302 D CB 0.033 40.742 40.800 -0.151 0.000 0.943 302 D HN 0.565 nan 8.370 nan 0.000 0.515 303 A N -0.535 122.037 122.820 -0.414 0.000 2.013 303 A HA 0.504 4.824 4.320 -0.000 0.000 0.204 303 A C 0.393 177.818 177.584 -0.265 0.000 1.262 303 A CA 0.013 51.793 52.037 -0.428 0.000 0.800 303 A CB 0.226 18.847 19.000 -0.632 0.000 0.909 303 A HN 0.267 nan 8.150 nan 0.000 0.472 304 F N 1.501 121.411 119.950 -0.067 0.000 2.382 304 F HA 0.497 5.024 4.527 -0.000 0.000 0.331 304 F C 0.757 176.538 175.800 -0.032 0.000 1.121 304 F CA -0.309 57.655 58.000 -0.061 0.000 1.183 304 F CB 0.793 39.759 39.000 -0.056 0.000 1.207 304 F HN 0.072 nan 8.300 nan 0.000 0.555 305 T N 1.017 115.693 114.554 0.203 0.000 3.011 305 T HA 0.620 4.970 4.350 -0.000 0.000 0.303 305 T C -1.012 173.773 174.700 0.143 0.000 0.997 305 T CA -0.808 61.372 62.100 0.134 0.000 1.007 305 T CB 1.169 70.092 68.868 0.092 0.000 1.017 305 T HN 0.212 nan 8.240 nan 0.000 0.443 306 L N 3.255 124.581 121.223 0.172 0.000 2.375 306 L HA 0.708 5.048 4.340 -0.000 0.000 0.268 306 L C -1.955 175.027 176.870 0.187 0.000 1.058 306 L CA -2.220 52.764 54.840 0.240 0.000 0.803 306 L CB 0.136 42.399 42.059 0.339 0.000 1.212 306 L HN 0.548 nan 8.230 nan 0.000 0.451 307 P HA 0.270 nan 4.420 nan 0.000 0.274 307 P C -1.241 175.879 177.300 -0.300 0.000 1.237 307 P CA -0.502 62.553 63.100 -0.075 0.000 0.793 307 P CB 0.435 32.039 31.700 -0.160 0.000 0.977 308 K N 1.356 121.558 120.400 -0.331 0.000 2.211 308 K HA 0.348 4.668 4.320 -0.000 0.000 0.275 308 K C -0.952 175.402 176.600 -0.410 0.000 1.024 308 K CA -0.321 55.810 56.287 -0.260 0.000 0.887 308 K CB 0.576 33.021 32.500 -0.092 0.000 1.084 308 K HN 0.379 nan 8.250 nan 0.000 0.463 309 Y N 3.282 123.577 120.300 -0.007 0.000 2.417 309 Y HA 0.215 4.765 4.550 -0.000 0.000 0.336 309 Y C -1.866 174.005 175.900 -0.048 0.000 0.961 309 Y CA -2.981 55.085 58.100 -0.056 0.000 1.215 309 Y CB 0.280 38.646 38.460 -0.155 0.000 1.120 309 Y HN 0.499 nan 8.280 nan 0.000 0.499 310 P HA -0.095 nan 4.420 nan 0.000 0.264 310 P C -0.042 177.287 177.300 0.048 0.000 1.179 310 P CA 0.076 63.219 63.100 0.071 0.000 0.763 310 P CB 0.994 32.740 31.700 0.076 0.000 0.806 311 E N 0.953 121.174 120.200 0.034 0.000 2.349 311 E HA 0.497 4.847 4.350 -0.000 0.000 0.265 311 E C -1.000 175.626 176.600 0.044 0.000 1.064 311 E CA -0.661 55.749 56.400 0.017 0.000 0.886 311 E CB 0.679 30.393 29.700 0.022 0.000 1.036 311 E HN 0.554 nan 8.360 nan 0.000 0.413 312 A N 3.455 126.302 122.820 0.045 0.000 2.604 312 A HA 0.379 4.699 4.320 -0.000 0.000 0.295 312 A C -1.555 176.098 177.584 0.115 0.000 1.067 312 A CA -0.763 51.330 52.037 0.093 0.000 0.683 312 A CB 0.656 19.707 19.000 0.085 0.000 1.281 312 A HN 0.643 nan 8.150 nan 0.000 0.407 313 F N 1.205 121.173 119.950 0.031 0.000 2.429 313 F HA 0.478 5.005 4.527 -0.000 0.000 0.348 313 F C 0.349 176.178 175.800 0.048 0.000 1.109 313 F CA 0.071 58.093 58.000 0.036 0.000 1.232 313 F CB 0.853 39.871 39.000 0.031 0.000 1.157 313 F HN 0.673 nan 8.300 nan 0.000 0.564 314 C N 8.486 127.353 119.300 -0.722 0.000 2.271 314 C HA 0.346 4.806 4.460 -0.000 0.000 0.323 314 C C 1.091 175.793 174.990 -0.479 0.000 1.245 314 C CA -0.859 57.926 59.018 -0.388 0.000 1.548 314 C CB -0.703 26.944 27.740 -0.156 0.000 2.214 314 C HN 0.934 nan 8.230 nan 0.000 0.477 315 N N 2.516 121.170 118.700 -0.077 0.000 2.244 315 N HA -0.133 4.607 4.740 -0.000 0.000 0.183 315 N C 1.181 176.679 175.510 -0.019 0.000 1.016 315 N CA 1.342 54.435 53.050 0.072 0.000 0.866 315 N CB -0.282 38.286 38.487 0.135 0.000 0.980 315 N HN 0.924 nan 8.380 nan 0.000 0.430 316 Y N 0.553 120.738 120.300 -0.191 0.000 2.109 316 Y HA -0.092 4.458 4.550 -0.000 0.000 0.285 316 Y C 1.898 177.629 175.900 -0.281 0.000 1.131 316 Y CA 1.407 59.335 58.100 -0.286 0.000 1.121 316 Y CB -0.544 37.633 38.460 -0.471 0.000 0.987 316 Y HN -0.164 nan 8.280 nan 0.000 0.495 317 F N 0.209 120.015 119.950 -0.240 0.000 2.367 317 F HA 0.183 4.710 4.527 -0.000 0.000 0.298 317 F C 2.059 177.696 175.800 -0.271 0.000 1.094 317 F CA 1.242 59.079 58.000 -0.272 0.000 1.409 317 F CB -0.647 38.281 39.000 -0.121 0.000 1.064 317 F HN 0.229 nan 8.300 nan 0.000 0.528 318 G N 1.084 109.775 108.800 -0.182 0.000 2.182 318 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.248 318 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.248 318 G C 0.070 174.868 174.900 -0.169 0.000 1.042 318 G CA 0.170 45.180 45.100 -0.151 0.000 0.775 318 G HN 0.396 nan 8.290 nan 0.000 0.501 319 K N -0.996 119.136 120.400 -0.446 0.000 2.533 319 K HA 0.620 4.940 4.320 -0.000 0.000 0.272 319 K C -0.936 175.453 176.600 -0.352 0.000 0.985 319 K CA -0.799 55.355 56.287 -0.221 0.000 0.876 319 K CB 1.774 34.209 32.500 -0.109 0.000 1.452 319 K HN 0.092 nan 8.250 nan 0.000 0.439 320 S N 2.414 118.085 115.700 -0.050 0.000 2.422 320 S HA 0.521 4.991 4.470 -0.000 0.000 0.298 320 S C -0.565 174.017 174.600 -0.030 0.000 1.118 320 S CA -0.782 57.429 58.200 0.019 0.000 1.083 320 S CB -0.193 63.100 63.200 0.154 0.000 0.971 320 S HN 0.471 nan 8.310 nan 0.000 0.478 321 L N 1.809 122.993 121.223 -0.065 0.000 2.389 321 L HA 0.754 5.094 4.340 -0.000 0.000 0.249 321 L C -0.444 176.340 176.870 -0.142 0.000 1.083 321 L CA -1.102 53.683 54.840 -0.092 0.000 0.876 321 L CB 0.772 42.760 42.059 -0.118 0.000 1.489 321 L HN 0.357 nan 8.230 nan 0.000 0.412 322 E N 0.571 120.619 120.200 -0.254 0.000 2.283 322 E HA 0.366 4.716 4.350 -0.000 0.000 0.271 322 E C -0.729 175.430 176.600 -0.736 0.000 1.031 322 E CA -0.595 55.556 56.400 -0.415 0.000 0.868 322 E CB 1.874 31.340 29.700 -0.390 0.000 1.094 322 E HN 0.473 nan 8.360 nan 0.000 0.401 323 S N 1.045 116.387 115.700 -0.598 0.000 2.523 323 S HA 0.213 4.683 4.470 -0.000 0.000 0.275 323 S C -0.751 173.284 174.600 -0.942 0.000 1.281 323 S CA -0.323 57.486 58.200 -0.651 0.000 1.050 323 S CB 0.005 62.906 63.200 -0.497 0.000 0.937 323 S HN 0.319 nan 8.310 nan 0.000 0.492 324 Y N 3.150 123.183 120.300 -0.445 0.000 2.837 324 Y HA 0.287 4.837 4.550 -0.000 0.000 0.356 324 Y C -2.386 173.327 175.900 -0.313 0.000 1.035 324 Y CA -2.553 55.145 58.100 -0.669 0.000 1.165 324 Y CB 0.492 38.769 38.460 -0.304 0.000 1.147 324 Y HN 0.475 nan 8.280 nan 0.000 0.628 325 P HA -0.039 nan 4.420 nan 0.000 0.267 325 P C 0.645 178.039 177.300 0.158 0.000 1.200 325 P CA 0.310 63.362 63.100 -0.081 0.000 0.772 325 P CB 1.139 32.733 31.700 -0.176 0.000 0.855 326 A N 1.789 124.440 122.820 -0.282 0.000 2.125 326 A HA -0.042 4.278 4.320 -0.000 0.000 0.219 326 A C 0.328 177.529 177.584 -0.639 0.000 1.156 326 A CA 1.366 53.122 52.037 -0.468 0.000 0.671 326 A CB -0.928 17.523 19.000 -0.914 0.000 0.794 326 A HN 0.479 nan 8.150 nan 0.000 0.459 327 F N -1.511 118.397 119.950 -0.071 0.000 2.551 327 F HA 0.618 5.145 4.527 -0.000 0.000 0.316 327 F C 0.253 176.193 175.800 0.234 0.000 1.089 327 F CA -0.942 57.067 58.000 0.016 0.000 0.915 327 F CB 1.895 40.863 39.000 -0.053 0.000 1.186 327 F HN 0.015 nan 8.300 nan 0.000 0.456 328 A N 3.274 126.288 122.820 0.323 0.000 2.249 328 A HA 0.246 4.566 4.320 -0.000 0.000 0.314 328 A C -1.101 176.742 177.584 0.432 0.000 1.290 328 A CA -0.502 51.717 52.037 0.302 0.000 0.893 328 A CB 0.225 19.179 19.000 -0.077 0.000 1.165 328 A HN 0.945 nan 8.150 nan 0.000 0.530 329 W N 5.561 127.022 121.300 0.267 0.000 2.422 329 W HA 0.410 5.070 4.660 -0.000 0.000 0.349 329 W C -1.290 175.342 176.519 0.187 0.000 1.062 329 W CA -0.623 56.834 57.345 0.185 0.000 1.497 329 W CB 0.575 30.134 29.460 0.166 0.000 1.407 329 W HN 0.584 nan 8.180 nan 0.000 0.393 330 L N 6.738 127.979 121.223 0.030 0.000 2.276 330 L HA 0.623 4.963 4.340 -0.000 0.000 0.286 330 L C 0.300 177.045 176.870 -0.208 0.000 1.061 330 L CA 0.327 55.116 54.840 -0.084 0.000 0.807 330 L CB 0.980 42.951 42.059 -0.148 0.000 1.177 330 L HN 0.348 nan 8.230 nan 0.000 0.429 331 G N 2.020 110.749 108.800 -0.119 0.000 2.454 331 G HA2 0.577 4.537 3.960 -0.000 0.000 0.329 331 G HA3 0.577 4.537 3.960 -0.000 0.000 0.329 331 G C -1.207 173.644 174.900 -0.082 0.000 1.177 331 G CA -0.423 44.536 45.100 -0.235 0.000 0.951 331 G HN 0.566 nan 8.290 nan 0.000 0.485 332 T N -0.582 113.852 114.554 -0.201 0.000 2.861 332 T HA 0.382 4.732 4.350 -0.000 0.000 0.287 332 T C 0.878 175.507 174.700 -0.119 0.000 1.003 332 T CA -0.610 61.460 62.100 -0.049 0.000 0.977 332 T CB 1.615 70.478 68.868 -0.008 0.000 0.996 332 T HN 0.405 nan 8.240 nan 0.000 0.448 333 K N 1.480 121.830 120.400 -0.083 0.000 2.243 333 K HA 0.113 4.433 4.320 -0.000 0.000 0.201 333 K C 0.670 177.223 176.600 -0.078 0.000 1.051 333 K CA 0.577 56.818 56.287 -0.076 0.000 0.970 333 K CB 0.285 32.745 32.500 -0.065 0.000 0.755 333 K HN 0.704 nan 8.250 nan 0.000 0.465 334 E N 0.730 120.877 120.200 -0.089 0.000 2.222 334 E HA 0.131 4.481 4.350 -0.000 0.000 0.272 334 E C -0.622 175.937 176.600 -0.067 0.000 0.982 334 E CA -0.622 55.732 56.400 -0.076 0.000 0.842 334 E CB 0.933 30.581 29.700 -0.086 0.000 1.144 334 E HN -0.139 nan 8.360 nan 0.000 0.397 335 E N 2.027 122.196 120.200 -0.052 0.000 3.265 335 E HA 0.018 4.368 4.350 -0.000 0.000 0.262 335 E C -0.331 176.247 176.600 -0.037 0.000 1.480 335 E CA 0.236 56.611 56.400 -0.042 0.000 1.548 335 E CB -1.139 28.543 29.700 -0.031 0.000 1.330 335 E HN 0.428 nan 8.360 nan 0.000 0.431 336 T N -0.537 113.992 114.554 -0.042 0.000 2.847 336 T HA 0.194 4.544 4.350 -0.000 0.000 0.279 336 T C 0.293 174.975 174.700 -0.029 0.000 0.984 336 T CA -0.779 61.305 62.100 -0.027 0.000 0.988 336 T CB 1.139 69.997 68.868 -0.018 0.000 1.040 336 T HN -0.048 nan 8.240 nan 0.000 0.528 337 D N 0.656 121.048 120.400 -0.014 0.000 2.540 337 D HA 0.208 4.848 4.640 -0.000 0.000 0.251 337 D C 0.946 177.240 176.300 -0.009 0.000 1.159 337 D CA -0.617 53.375 54.000 -0.014 0.000 0.974 337 D CB 0.000 40.799 40.800 -0.003 0.000 0.996 337 D HN 0.306 nan 8.370 nan 0.000 0.512 338 L N 3.390 124.597 121.223 -0.027 0.000 2.189 338 L HA -0.110 4.230 4.340 -0.000 0.000 0.214 338 L C 1.868 178.731 176.870 -0.012 0.000 1.097 338 L CA 1.539 56.370 54.840 -0.016 0.000 0.764 338 L CB -0.495 41.530 42.059 -0.057 0.000 0.900 338 L HN 0.399 nan 8.230 nan 0.000 0.436 339 V N -1.549 118.355 119.914 -0.016 0.000 2.358 339 V HA -0.238 3.882 4.120 -0.000 0.000 0.246 339 V C 2.421 178.521 176.094 0.011 0.000 1.047 339 V CA 2.062 64.358 62.300 -0.006 0.000 1.035 339 V CB -0.081 31.741 31.823 -0.002 0.000 0.658 339 V HN 0.647 nan 8.190 nan 0.000 0.452 340 S N -0.238 115.472 115.700 0.016 0.000 2.355 340 S HA -0.163 4.307 4.470 -0.000 0.000 0.222 340 S C 1.879 176.508 174.600 0.049 0.000 1.031 340 S CA 1.345 59.560 58.200 0.025 0.000 0.993 340 S CB -0.404 62.808 63.200 0.019 0.000 0.859 340 S HN 0.630 nan 8.310 nan 0.000 0.453 341 E N 0.970 121.207 120.200 0.062 0.000 2.097 341 E HA -0.100 4.250 4.350 -0.000 0.000 0.196 341 E C 1.958 178.667 176.600 0.181 0.000 1.000 341 E CA 0.832 57.304 56.400 0.120 0.000 0.804 341 E CB -0.363 29.397 29.700 0.100 0.000 0.740 341 E HN 0.300 nan 8.360 nan 0.000 0.454 342 L N 0.602 121.885 121.223 0.100 0.000 2.179 342 L HA -0.064 4.276 4.340 -0.000 0.000 0.208 342 L C 2.329 179.254 176.870 0.091 0.000 1.096 342 L CA 1.196 56.091 54.840 0.091 0.000 0.779 342 L CB -0.367 41.712 42.059 0.033 0.000 0.922 342 L HN 0.005 nan 8.230 nan 0.000 0.443 343 R N -0.734 119.800 120.500 0.056 0.000 2.073 343 R HA -0.125 4.215 4.340 -0.000 0.000 0.234 343 R C 2.253 178.571 176.300 0.029 0.000 1.134 343 R CA 1.191 57.307 56.100 0.027 0.000 0.952 343 R CB -0.443 29.865 30.300 0.013 0.000 0.850 343 R HN 0.287 nan 8.270 nan 0.000 0.433 344 R N -0.051 120.476 120.500 0.044 0.000 2.170 344 R HA -0.126 4.214 4.340 -0.000 0.000 0.242 344 R C 1.280 177.498 176.300 -0.136 0.000 1.145 344 R CA 1.105 57.192 56.100 -0.022 0.000 0.984 344 R CB -0.155 30.144 30.300 -0.002 0.000 0.869 344 R HN 0.508 nan 8.270 nan 0.000 0.455 345 H N -0.093 118.977 119.070 -0.000 0.000 2.542 345 H HA 0.178 4.734 4.556 -0.000 0.000 0.283 345 H C -0.095 175.228 175.328 -0.008 0.000 1.059 345 H CA -0.016 56.032 56.048 -0.000 0.000 1.162 345 H CB 0.589 30.354 29.762 0.005 0.000 1.539 345 H HN 0.061 nan 8.280 nan 0.000 0.543 346 K N 0.428 120.859 120.400 0.052 0.000 3.200 346 K HA -0.101 4.219 4.320 -0.000 0.000 0.272 346 K C -0.903 175.678 176.600 -0.032 0.000 1.150 346 K CA 0.158 56.439 56.287 -0.010 0.000 0.801 346 K CB -1.799 30.687 32.500 -0.024 0.000 1.269 346 K HN -0.009 nan 8.250 nan 0.000 0.500 347 V N 2.447 122.367 119.914 0.010 0.000 2.357 347 V HA 0.271 4.391 4.120 -0.000 0.000 0.281 347 V C 0.277 176.355 176.094 -0.026 0.000 1.015 347 V CA -0.742 61.560 62.300 0.004 0.000 0.827 347 V CB 1.397 33.282 31.823 0.105 0.000 1.018 347 V HN 0.182 nan 8.190 nan 0.000 0.432 348 M N 4.178 123.731 119.600 -0.079 0.000 2.219 348 M HA 0.433 4.913 4.480 -0.000 0.000 0.353 348 M C 0.410 176.651 176.300 -0.098 0.000 1.304 348 M CA 0.574 55.826 55.300 -0.080 0.000 1.115 348 M CB 0.691 33.232 32.600 -0.099 0.000 1.664 348 M HN 0.741 nan 8.290 nan 0.000 0.459 349 S N 2.557 118.219 115.700 -0.062 0.000 2.704 349 S HA 0.826 5.296 4.470 -0.000 0.000 0.296 349 S C -0.781 173.810 174.600 -0.015 0.000 1.138 349 S CA -1.125 57.044 58.200 -0.051 0.000 0.875 349 S CB 2.511 65.687 63.200 -0.040 0.000 1.151 349 S HN 0.677 nan 8.310 nan 0.000 0.500 350 R N 1.050 121.562 120.500 0.020 0.000 2.207 350 R HA 0.677 5.017 4.340 -0.000 0.000 0.334 350 R C 0.060 176.399 176.300 0.065 0.000 1.013 350 R CA -0.077 56.047 56.100 0.039 0.000 0.858 350 R CB 0.358 30.681 30.300 0.038 0.000 1.094 350 R HN 0.968 nan 8.270 nan 0.000 0.457 351 A N 3.537 126.385 122.820 0.047 0.000 2.566 351 A HA 0.209 4.529 4.320 -0.000 0.000 0.245 351 A C 1.407 179.053 177.584 0.103 0.000 1.056 351 A CA 0.560 52.627 52.037 0.051 0.000 0.757 351 A CB -0.049 18.973 19.000 0.037 0.000 0.979 351 A HN 1.010 nan 8.150 nan 0.000 0.508 352 G N 1.535 110.397 108.800 0.102 0.000 2.469 352 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.220 352 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.220 352 G C 1.123 176.132 174.900 0.180 0.000 1.136 352 G CA 1.179 46.402 45.100 0.204 0.000 0.759 352 G HN 0.889 nan 8.290 nan 0.000 0.562 353 E N 0.178 120.441 120.200 0.106 0.000 2.160 353 E HA -0.131 4.219 4.350 -0.000 0.000 0.195 353 E C 2.726 179.382 176.600 0.093 0.000 0.991 353 E CA 0.496 56.950 56.400 0.090 0.000 0.810 353 E CB -0.091 29.652 29.700 0.071 0.000 0.742 353 E HN 0.271 nan 8.360 nan 0.000 0.466 354 R N 0.194 120.746 120.500 0.087 0.000 2.105 354 R HA -0.105 4.235 4.340 -0.000 0.000 0.239 354 R C 1.832 178.195 176.300 0.104 0.000 1.135 354 R CA 1.014 57.162 56.100 0.081 0.000 0.967 354 R CB -0.582 29.745 30.300 0.044 0.000 0.861 354 R HN 0.277 nan 8.270 nan 0.000 0.442 355 C N 0.404 119.731 119.300 0.045 0.000 2.435 355 C HA 0.345 4.805 4.460 -0.000 0.000 0.326 355 C C 1.285 175.920 174.990 -0.590 0.000 1.328 355 C CA -0.255 58.680 59.018 -0.138 0.000 1.741 355 C CB -0.902 26.769 27.740 -0.115 0.000 1.998 355 C HN 0.716 nan 8.230 nan 0.000 0.585 356 G N 1.543 110.117 108.800 -0.377 0.000 2.203 356 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.263 356 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.263 356 G C 0.369 175.177 174.900 -0.154 0.000 1.012 356 G CA 0.765 45.640 45.100 -0.376 0.000 0.749 356 G HN 0.575 nan 8.290 nan 0.000 0.512 357 S N -0.530 115.175 115.700 0.009 0.000 2.589 357 S HA 0.689 5.159 4.470 -0.000 0.000 0.272 357 S C 0.186 174.869 174.600 0.138 0.000 1.096 357 S CA 0.453 58.745 58.200 0.153 0.000 0.985 357 S CB 0.797 64.251 63.200 0.423 0.000 1.278 357 S HN 0.753 nan 8.310 nan 0.000 0.528 358 D N -1.047 119.458 120.400 0.174 0.000 2.566 358 D HA 0.414 5.054 4.640 -0.000 0.000 0.254 358 D C 0.005 176.341 176.300 0.060 0.000 1.090 358 D CA -0.728 53.337 54.000 0.108 0.000 1.034 358 D CB 0.668 41.531 40.800 0.105 0.000 1.434 358 D HN 0.311 nan 8.370 nan 0.000 0.509 359 K N -0.458 119.952 120.400 0.015 0.000 2.360 359 K HA -0.104 4.216 4.320 -0.000 0.000 0.201 359 K C 1.117 177.666 176.600 -0.086 0.000 1.046 359 K CA 0.886 57.161 56.287 -0.020 0.000 0.940 359 K CB -0.105 32.388 32.500 -0.013 0.000 0.748 359 K HN 0.342 nan 8.250 nan 0.000 0.465 360 K N 0.103 120.411 120.400 -0.152 0.000 2.486 360 K HA -0.004 4.315 4.320 -0.000 0.000 0.194 360 K C -0.084 176.153 176.600 -0.606 0.000 1.033 360 K CA 0.477 56.566 56.287 -0.329 0.000 1.004 360 K CB 0.078 32.357 32.500 -0.369 0.000 0.798 360 K HN 0.251 nan 8.250 nan 0.000 0.495 361 H N -0.756 118.125 119.070 -0.315 0.000 2.524 361 H HA 0.344 4.900 4.556 -0.000 0.000 0.353 361 H C -0.773 174.237 175.328 -0.532 0.000 1.136 361 H CA -1.024 54.628 56.048 -0.659 0.000 1.193 361 H CB 1.845 30.867 29.762 -1.233 0.000 1.558 361 H HN -0.159 nan 8.280 nan 0.000 0.515 362 V N 0.164 119.834 119.914 -0.407 0.000 3.007 362 V HA 0.591 4.710 4.120 -0.000 0.000 0.311 362 V C -0.497 175.641 176.094 0.073 0.000 1.120 362 V CA -1.230 60.992 62.300 -0.130 0.000 0.980 362 V CB 2.192 33.968 31.823 -0.078 0.000 1.033 362 V HN 0.769 nan 8.190 nan 0.000 0.429 363 R N 1.804 122.466 120.500 0.271 0.000 2.295 363 R HA 0.785 5.125 4.340 -0.000 0.000 0.324 363 R C -1.386 175.033 176.300 0.198 0.000 0.968 363 R CA -0.404 55.913 56.100 0.362 0.000 0.837 363 R CB 1.797 32.244 30.300 0.245 0.000 1.133 363 R HN 1.024 nan 8.270 nan 0.000 0.450 364 V N 3.275 123.297 119.914 0.180 0.000 2.555 364 V HA 0.411 4.531 4.120 -0.000 0.000 0.302 364 V C -0.499 175.624 176.094 0.048 0.000 1.038 364 V CA -0.483 61.814 62.300 -0.004 0.000 0.887 364 V CB 1.980 33.647 31.823 -0.261 0.000 0.991 364 V HN 0.876 nan 8.190 nan 0.000 0.434 365 S N 6.666 122.342 115.700 -0.040 0.000 2.549 365 S HA 0.331 4.801 4.470 -0.000 0.000 0.279 365 S C 0.675 175.097 174.600 -0.296 0.000 1.321 365 S CA -0.501 57.585 58.200 -0.190 0.000 1.054 365 S CB 0.681 63.799 63.200 -0.136 0.000 0.899 365 S HN 0.785 nan 8.310 nan 0.000 0.497 366 M N 4.931 124.306 119.600 -0.375 0.000 2.383 366 M HA 0.235 4.715 4.480 -0.000 0.000 0.247 366 M C 0.046 176.140 176.300 -0.342 0.000 1.117 366 M CA 0.464 55.547 55.300 -0.361 0.000 0.995 366 M CB -0.472 31.930 32.600 -0.331 0.000 1.480 366 M HN 0.580 nan 8.290 nan 0.000 0.485 367 L N 0.455 121.515 121.223 -0.272 0.000 2.984 367 L HA 0.189 4.529 4.340 -0.000 0.000 0.246 367 L C 1.046 177.842 176.870 -0.124 0.000 1.268 367 L CA -0.367 54.353 54.840 -0.200 0.000 1.054 367 L CB -0.231 41.776 42.059 -0.088 0.000 1.393 367 L HN 0.152 nan 8.230 nan 0.000 0.532 368 S N -0.810 114.829 115.700 -0.101 0.000 2.671 368 S HA 0.469 4.939 4.470 -0.000 0.000 0.272 368 S C 0.533 175.135 174.600 0.003 0.000 1.174 368 S CA -0.760 57.437 58.200 -0.006 0.000 1.004 368 S CB 0.968 64.188 63.200 0.032 0.000 1.077 368 S HN 0.224 nan 8.310 nan 0.000 0.553 369 R N 0.363 120.902 120.500 0.065 0.000 2.679 369 R HA 0.192 4.532 4.340 -0.000 0.000 0.269 369 R C 1.384 177.749 176.300 0.107 0.000 1.076 369 R CA -0.621 55.522 56.100 0.072 0.000 1.160 369 R CB 0.192 30.547 30.300 0.091 0.000 1.054 369 R HN 0.687 nan 8.270 nan 0.000 0.507 370 E N 1.995 122.251 120.200 0.094 0.000 2.055 370 E HA -0.256 4.094 4.350 -0.000 0.000 0.209 370 E C 1.468 178.173 176.600 0.175 0.000 1.036 370 E CA 2.337 58.819 56.400 0.136 0.000 0.849 370 E CB -0.316 29.439 29.700 0.092 0.000 0.767 370 E HN 0.675 nan 8.360 nan 0.000 0.461 371 D N 0.307 120.781 120.400 0.122 0.000 2.123 371 D HA -0.129 4.511 4.640 -0.000 0.000 0.196 371 D C 2.140 178.530 176.300 0.151 0.000 0.992 371 D CA 1.163 55.225 54.000 0.103 0.000 0.833 371 D CB -0.885 39.948 40.800 0.055 0.000 0.954 371 D HN 0.106 nan 8.370 nan 0.000 0.455 372 V N 0.293 120.327 119.914 0.201 0.000 2.255 372 V HA -0.249 3.871 4.120 -0.000 0.000 0.247 372 V C 2.327 178.572 176.094 0.251 0.000 1.051 372 V CA 1.799 64.258 62.300 0.264 0.000 1.018 372 V CB -0.855 31.112 31.823 0.240 0.000 0.641 372 V HN 0.090 nan 8.190 nan 0.000 0.445 373 F N 1.953 121.965 119.950 0.102 0.000 2.065 373 F HA -0.221 4.306 4.527 -0.000 0.000 0.298 373 F C 2.326 178.230 175.800 0.173 0.000 1.112 373 F CA 2.070 60.147 58.000 0.129 0.000 1.212 373 F CB -0.620 38.404 39.000 0.040 0.000 0.975 373 F HN 0.193 nan 8.300 nan 0.000 0.476 374 N N 0.754 119.431 118.700 -0.039 0.000 2.007 374 N HA -0.198 4.542 4.740 -0.000 0.000 0.197 374 N C 2.112 177.545 175.510 -0.128 0.000 1.050 374 N CA 2.126 55.084 53.050 -0.153 0.000 0.856 374 N CB -1.104 37.373 38.487 -0.015 0.000 1.050 374 N HN 0.259 nan 8.380 nan 0.000 0.423 375 V N 1.601 121.522 119.914 0.011 0.000 2.313 375 V HA -0.276 3.844 4.120 -0.000 0.000 0.253 375 V C 2.056 178.159 176.094 0.015 0.000 1.070 375 V CA 1.867 64.200 62.300 0.055 0.000 1.057 375 V CB -0.834 31.108 31.823 0.199 0.000 0.653 375 V HN 0.295 nan 8.190 nan 0.000 0.450 376 F N -0.134 119.737 119.950 -0.131 0.000 2.171 376 F HA -0.152 4.375 4.527 -0.000 0.000 0.300 376 F C 2.068 177.715 175.800 -0.255 0.000 1.090 376 F CA 1.632 59.524 58.000 -0.179 0.000 1.293 376 F CB -0.137 38.761 39.000 -0.170 0.000 1.013 376 F HN 0.037 nan 8.300 nan 0.000 0.486 377 L N 0.167 120.913 121.223 -0.795 0.000 2.027 377 L HA -0.177 4.163 4.340 -0.000 0.000 0.206 377 L C 2.546 179.127 176.870 -0.481 0.000 1.074 377 L CA 1.612 55.969 54.840 -0.805 0.000 0.745 377 L CB -0.789 40.882 42.059 -0.646 0.000 0.898 377 L HN 0.167 nan 8.230 nan 0.000 0.433 378 E N 1.044 121.057 120.200 -0.312 0.000 2.065 378 E HA -0.256 4.094 4.350 -0.000 0.000 0.201 378 E C 2.193 178.693 176.600 -0.167 0.000 1.016 378 E CA 1.764 58.055 56.400 -0.182 0.000 0.818 378 E CB -0.084 29.553 29.700 -0.104 0.000 0.749 378 E HN 0.279 nan 8.360 nan 0.000 0.453 379 R N -0.120 120.279 120.500 -0.168 0.000 2.189 379 R HA -0.015 4.325 4.340 -0.000 0.000 0.223 379 R C 2.523 178.710 176.300 -0.190 0.000 1.092 379 R CA 0.810 56.841 56.100 -0.114 0.000 0.989 379 R CB -0.310 29.969 30.300 -0.035 0.000 0.876 379 R HN 0.282 nan 8.270 nan 0.000 0.457 380 L N 0.327 121.349 121.223 -0.335 0.000 2.179 380 L HA -0.046 4.294 4.340 -0.000 0.000 0.208 380 L C 2.404 179.199 176.870 -0.126 0.000 1.096 380 L CA 0.831 55.484 54.840 -0.311 0.000 0.779 380 L CB -0.350 41.348 42.059 -0.603 0.000 0.922 380 L HN 0.214 nan 8.230 nan 0.000 0.443 381 A N -0.102 122.624 122.820 -0.157 0.000 1.854 381 A HA -0.165 4.155 4.320 -0.000 0.000 0.214 381 A C 1.437 178.976 177.584 -0.075 0.000 1.192 381 A CA 1.106 53.086 52.037 -0.095 0.000 0.611 381 A CB -0.651 18.287 19.000 -0.103 0.000 0.832 381 A HN 0.495 nan 8.150 nan 0.000 0.442 382 N N 0.809 119.464 118.700 -0.074 0.000 2.715 382 N HA 0.198 4.938 4.740 -0.000 0.000 0.254 382 N C -0.386 175.101 175.510 -0.038 0.000 1.306 382 N CA 0.267 53.294 53.050 -0.037 0.000 0.956 382 N CB -0.487 37.997 38.487 -0.006 0.000 1.296 382 N HN 0.689 nan 8.380 nan 0.000 0.512 383 M N -2.168 117.376 119.600 -0.093 0.000 2.465 383 M HA 0.376 4.856 4.480 -0.000 0.000 0.284 383 M C -0.772 175.457 176.300 -0.118 0.000 1.212 383 M CA -1.095 54.125 55.300 -0.133 0.000 0.910 383 M CB 2.219 34.525 32.600 -0.491 0.000 1.725 383 M HN -0.257 nan 8.290 nan 0.000 0.477 384 K N 0.000 120.349 120.400 -0.085 0.000 2.780 384 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 384 K CA 0.000 56.223 56.287 -0.107 0.000 0.838 384 K CB 0.000 32.466 32.500 -0.057 0.000 1.064 384 K HN 0.000 nan 8.250 nan 0.000 0.543