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 3odm_1_G DATA FIRST_RESID 1 DATA SEQUENCE MKIPCSMMTQ HPDNVETYIS IQQEPAEAIK GLTPQDKGGL GIEEVMIDFE DATA SEQUENCE GKLTPYHQTS QIALGLISNG IIPGKDVRVT PRIPNANKES VFRQLMSIMS DATA SEQUENCE IIETNVQSKE LTGTPAISEV VVPMIETGKE ISEFQDRVNS VVDMGNKNYK DATA SEQUENCE TKLDLNSVRI IPLVEDVPAL ANIDRILDEH YEIEKSKGHI LKDLRIMIAR DATA SEQUENCE SDTAMSYGLI SGVLSVLMAV DGAYKWGEKH GVTISPILGC GSLPFRGHFS DATA SEQUENCE EENIDEILAT YSGIKTFTFQ SALRYDHGEE ATKHAVRELK EKIAQSKPRN DATA SEQUENCE FSEEDKDLMK EFIGICSKHY LQTFLKVIDT VSFVSDFIPK NRDRLTXXXX DATA SEQUENCE XXXXXXEVAN LDNVADLVKD EVLKQEILSI DNSKEYAVPR AISFTGAMYT DATA SEQUENCE LGMPPELMGM GRALNEIKTK YGQEGIDKLL EIYPILRKDL AFAARFANGG DATA SEQUENCE VSKKIIDEEA RQEYKEDMKY VNEILNLGLD YDFLNENEFY HTLLKTTKPI DATA SEQUENCE IMHLMGLEEN VMRNSTEELK ILNEWIVRMG KVRGSIG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.311 176.300 0.018 0.000 1.140 1 M CA 0.000 55.308 55.300 0.014 0.000 0.988 1 M CB 0.000 32.606 32.600 0.010 0.000 1.302 2 K N 2.340 122.750 120.400 0.017 0.000 2.350 2 K HA 0.317 4.637 4.320 -0.000 0.000 0.279 2 K C -0.674 175.940 176.600 0.024 0.000 1.027 2 K CA -0.399 55.901 56.287 0.022 0.000 0.969 2 K CB 0.532 33.044 32.500 0.021 0.000 0.954 2 K HN 0.562 nan 8.250 nan 0.000 0.474 3 I N 4.694 125.283 120.570 0.031 0.000 2.329 3 I HA 0.103 4.273 4.170 -0.000 0.000 0.295 3 I C -2.016 174.124 176.117 0.038 0.000 1.109 3 I CA -1.954 59.365 61.300 0.032 0.000 1.297 3 I CB -0.098 37.923 38.000 0.036 0.000 1.433 3 I HN 0.481 nan 8.210 nan 0.000 0.509 4 P HA 0.097 nan 4.420 nan 0.000 0.272 4 P C 0.832 178.175 177.300 0.072 0.000 1.223 4 P CA -0.414 62.708 63.100 0.038 0.000 0.784 4 P CB 0.649 32.357 31.700 0.012 0.000 0.923 5 C N -1.216 118.148 119.300 0.108 0.000 2.539 5 C HA 0.172 4.632 4.460 -0.000 0.000 0.268 5 C C 0.760 175.921 174.990 0.286 0.000 1.395 5 C CA -0.096 59.049 59.018 0.212 0.000 1.757 5 C CB -1.666 26.226 27.740 0.252 0.000 1.851 5 C HN 0.557 nan 8.230 nan 0.000 0.545 6 S N 0.949 116.717 115.700 0.112 0.000 2.498 6 S HA 0.697 5.167 4.470 -0.000 0.000 0.317 6 S C -0.935 173.619 174.600 -0.076 0.000 1.090 6 S CA -0.323 57.838 58.200 -0.065 0.000 1.089 6 S CB 1.221 64.101 63.200 -0.534 0.000 0.997 6 S HN 0.533 nan 8.310 nan 0.000 0.470 7 M N 5.626 125.255 119.600 0.049 0.000 2.151 7 M HA 0.452 4.932 4.480 -0.000 0.000 0.290 7 M C -1.240 175.127 176.300 0.111 0.000 0.965 7 M CA -0.925 54.401 55.300 0.043 0.000 0.930 7 M CB 1.815 34.450 32.600 0.058 0.000 1.560 7 M HN 0.965 nan 8.290 nan 0.000 0.438 8 M N 3.877 123.501 119.600 0.040 0.000 2.233 8 M HA 0.631 5.111 4.480 -0.000 0.000 0.355 8 M C -0.467 175.894 176.300 0.103 0.000 1.191 8 M CA -0.190 55.168 55.300 0.097 0.000 1.101 8 M CB 1.179 33.796 32.600 0.028 0.000 1.592 8 M HN 0.673 nan 8.290 nan 0.000 0.461 9 T N 0.032 114.680 114.554 0.157 0.000 2.910 9 T HA 0.405 4.755 4.350 -0.000 0.000 0.287 9 T C 0.019 174.807 174.700 0.147 0.000 1.050 9 T CA -0.909 61.291 62.100 0.166 0.000 1.011 9 T CB 1.593 70.662 68.868 0.335 0.000 1.195 9 T HN 0.802 nan 8.240 nan 0.000 0.540 10 Q N 0.050 119.882 119.800 0.053 0.000 2.375 10 Q HA 0.208 4.548 4.340 -0.000 0.000 0.316 10 Q C -0.794 175.179 176.000 -0.044 0.000 0.927 10 Q CA -0.266 55.534 55.803 -0.004 0.000 1.029 10 Q CB -0.222 28.467 28.738 -0.081 0.000 1.202 10 Q HN 0.609 nan 8.270 nan 0.000 0.431 11 H N 1.509 120.605 119.070 0.043 0.000 2.683 11 H HA 0.058 4.614 4.556 -0.000 0.000 0.339 11 H C -1.670 173.688 175.328 0.050 0.000 1.081 11 H CA -1.649 54.426 56.048 0.046 0.000 1.432 11 H CB 0.752 30.548 29.762 0.057 0.000 1.462 11 H HN 0.116 nan 8.280 nan 0.000 0.557 12 P HA -0.024 nan 4.420 nan 0.000 0.246 12 P C -0.219 177.155 177.300 0.123 0.000 1.686 12 P CA 0.085 63.243 63.100 0.097 0.000 0.867 12 P CB -0.051 31.692 31.700 0.072 0.000 1.733 13 D N -0.927 119.567 120.400 0.156 0.000 2.350 13 D HA -0.051 4.589 4.640 -0.000 0.000 0.213 13 D C 0.293 176.662 176.300 0.115 0.000 1.031 13 D CA 0.028 54.109 54.000 0.134 0.000 0.861 13 D CB -0.242 40.635 40.800 0.127 0.000 0.926 13 D HN 0.218 nan 8.370 nan 0.000 0.520 14 N N 0.380 119.151 118.700 0.117 0.000 2.476 14 N HA 0.051 4.791 4.740 -0.000 0.000 0.275 14 N C 0.826 176.375 175.510 0.065 0.000 1.190 14 N CA -0.556 52.564 53.050 0.117 0.000 0.977 14 N CB 2.372 40.956 38.487 0.162 0.000 1.200 14 N HN -0.201 nan 8.380 nan 0.000 0.515 15 V N 1.196 121.147 119.914 0.063 0.000 2.341 15 V HA -0.060 4.060 4.120 -0.000 0.000 0.240 15 V C 2.130 178.233 176.094 0.016 0.000 1.035 15 V CA 1.459 63.779 62.300 0.033 0.000 1.033 15 V CB -0.697 31.142 31.823 0.027 0.000 0.678 15 V HN 0.703 nan 8.190 nan 0.000 0.464 16 E N -0.349 119.859 120.200 0.015 0.000 2.110 16 E HA 0.042 4.392 4.350 -0.000 0.000 0.193 16 E C 0.532 177.123 176.600 -0.016 0.000 0.950 16 E CA 0.480 56.881 56.400 0.002 0.000 0.840 16 E CB 0.154 29.861 29.700 0.012 0.000 0.809 16 E HN 0.421 nan 8.360 nan 0.000 0.465 17 T N 1.669 116.178 114.554 -0.075 0.000 2.738 17 T HA 0.031 4.381 4.350 -0.000 0.000 0.293 17 T C -0.594 174.016 174.700 -0.151 0.000 0.913 17 T CA -0.047 61.965 62.100 -0.147 0.000 1.103 17 T CB -0.125 68.542 68.868 -0.336 0.000 0.880 17 T HN 0.079 nan 8.240 nan 0.000 0.526 18 Y N 5.665 125.879 120.300 -0.144 0.000 2.402 18 Y HA 0.370 4.920 4.550 -0.000 0.000 0.333 18 Y C -0.371 175.446 175.900 -0.138 0.000 1.076 18 Y CA -1.166 56.860 58.100 -0.123 0.000 1.299 18 Y CB 0.260 38.677 38.460 -0.072 0.000 1.197 18 Y HN 0.431 nan 8.280 nan 0.000 0.517 19 I N 7.380 127.475 120.570 -0.791 0.000 2.354 19 I HA 0.175 4.345 4.170 -0.000 0.000 0.286 19 I C 0.148 175.744 176.117 -0.869 0.000 1.007 19 I CA -0.503 60.399 61.300 -0.664 0.000 1.167 19 I CB 0.606 38.379 38.000 -0.378 0.000 1.320 19 I HN 0.728 nan 8.210 nan 0.000 0.458 20 S N 5.719 120.988 115.700 -0.718 0.000 2.617 20 S HA 0.353 4.823 4.470 -0.000 0.000 0.269 20 S C 1.469 175.953 174.600 -0.193 0.000 1.292 20 S CA -0.712 57.250 58.200 -0.396 0.000 1.010 20 S CB 1.265 64.431 63.200 -0.057 0.000 0.944 20 S HN 0.584 nan 8.310 nan 0.000 0.536 21 I N -0.880 119.630 120.570 -0.100 0.000 2.423 21 I HA -0.197 3.973 4.170 -0.000 0.000 0.254 21 I C 2.145 178.229 176.117 -0.054 0.000 1.151 21 I CA 1.224 62.478 61.300 -0.078 0.000 1.421 21 I CB -0.751 37.220 38.000 -0.049 0.000 1.079 21 I HN 0.591 nan 8.210 nan 0.000 0.431 22 Q N 1.201 120.981 119.800 -0.033 0.000 2.119 22 Q HA -0.162 4.178 4.340 -0.000 0.000 0.201 22 Q C 2.269 178.254 176.000 -0.026 0.000 0.972 22 Q CA 1.666 57.458 55.803 -0.019 0.000 0.847 22 Q CB -0.327 28.410 28.738 -0.002 0.000 0.903 22 Q HN 0.660 nan 8.270 nan 0.000 0.433 23 Q N 0.141 119.915 119.800 -0.043 0.000 2.245 23 Q HA -0.111 4.229 4.340 -0.000 0.000 0.201 23 Q C 1.706 177.686 176.000 -0.034 0.000 0.955 23 Q CA 0.791 56.572 55.803 -0.038 0.000 0.870 23 Q CB 0.113 28.815 28.738 -0.060 0.000 0.945 23 Q HN 0.467 nan 8.270 nan 0.000 0.461 24 E N 0.498 120.666 120.200 -0.053 0.000 2.085 24 E HA -0.173 4.177 4.350 -0.000 0.000 0.194 24 E C -0.893 175.689 176.600 -0.030 0.000 0.994 24 E CA 1.104 57.476 56.400 -0.047 0.000 0.801 24 E CB -0.745 28.908 29.700 -0.078 0.000 0.743 24 E HN 0.320 nan 8.360 nan 0.000 0.453 25 P HA -0.200 nan 4.420 nan 0.000 0.214 25 P C 1.228 178.521 177.300 -0.010 0.000 1.163 25 P CA 1.951 65.039 63.100 -0.020 0.000 0.883 25 P CB -0.071 31.621 31.700 -0.012 0.000 0.788 26 A N 0.151 122.968 122.820 -0.005 0.000 1.892 26 A HA -0.310 4.010 4.320 -0.000 0.000 0.218 26 A C 2.354 179.941 177.584 0.006 0.000 1.188 26 A CA 2.165 54.203 52.037 0.001 0.000 0.631 26 A CB -1.557 17.446 19.000 0.005 0.000 0.822 26 A HN 0.240 nan 8.150 nan 0.000 0.447 27 E N -0.174 120.034 120.200 0.013 0.000 2.086 27 E HA -0.227 4.123 4.350 -0.000 0.000 0.200 27 E C 2.102 178.709 176.600 0.011 0.000 1.012 27 E CA 1.429 57.846 56.400 0.030 0.000 0.812 27 E CB -0.283 29.448 29.700 0.051 0.000 0.743 27 E HN 0.560 nan 8.360 nan 0.000 0.453 28 A N 0.657 123.477 122.820 -0.000 0.000 1.968 28 A HA -0.084 4.236 4.320 -0.000 0.000 0.217 28 A C 2.120 179.695 177.584 -0.015 0.000 1.169 28 A CA 1.078 53.109 52.037 -0.010 0.000 0.638 28 A CB -0.424 18.566 19.000 -0.016 0.000 0.812 28 A HN 0.328 nan 8.150 nan 0.000 0.446 29 I N -0.836 119.727 120.570 -0.011 0.000 2.439 29 I HA -0.162 4.008 4.170 -0.000 0.000 0.251 29 I C 2.374 178.483 176.117 -0.014 0.000 1.139 29 I CA 1.465 62.758 61.300 -0.013 0.000 1.438 29 I CB -0.120 37.874 38.000 -0.009 0.000 1.085 29 I HN 0.179 nan 8.210 nan 0.000 0.427 30 K N 1.728 122.121 120.400 -0.011 0.000 2.025 30 K HA -0.056 4.264 4.320 -0.000 0.000 0.207 30 K C 2.036 178.620 176.600 -0.027 0.000 1.049 30 K CA 1.682 57.961 56.287 -0.013 0.000 0.933 30 K CB -0.839 31.658 32.500 -0.006 0.000 0.714 30 K HN 0.241 nan 8.250 nan 0.000 0.438 31 G N -0.197 108.583 108.800 -0.033 0.000 2.443 31 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.219 31 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.219 31 G C 1.117 175.979 174.900 -0.062 0.000 1.131 31 G CA 0.577 45.646 45.100 -0.053 0.000 0.775 31 G HN 0.237 nan 8.290 nan 0.000 0.547 32 L N 0.868 122.063 121.223 -0.048 0.000 2.529 32 L HA 0.227 4.567 4.340 -0.000 0.000 0.223 32 L C 1.333 178.180 176.870 -0.039 0.000 1.113 32 L CA 0.401 55.213 54.840 -0.048 0.000 0.861 32 L CB -0.206 41.830 42.059 -0.038 0.000 1.012 32 L HN -0.083 nan 8.230 nan 0.000 0.461 33 T N 2.925 117.460 114.554 -0.032 0.000 2.867 33 T HA 0.096 4.446 4.350 -0.000 0.000 0.297 33 T C -2.306 172.377 174.700 -0.029 0.000 0.989 33 T CA -0.932 61.153 62.100 -0.025 0.000 1.159 33 T CB 0.398 69.255 68.868 -0.018 0.000 0.928 33 T HN -0.042 nan 8.240 nan 0.000 0.538 34 P HA -0.025 nan 4.420 nan 0.000 0.266 34 P C 0.741 178.028 177.300 -0.021 0.000 1.186 34 P CA 0.149 63.234 63.100 -0.024 0.000 0.767 34 P CB 0.656 32.346 31.700 -0.017 0.000 0.820 35 Q N 1.679 121.466 119.800 -0.021 0.000 2.061 35 Q HA -0.231 4.109 4.340 -0.000 0.000 0.204 35 Q C 1.476 177.472 176.000 -0.007 0.000 0.984 35 Q CA 2.197 57.991 55.803 -0.015 0.000 0.846 35 Q CB -0.288 28.443 28.738 -0.012 0.000 0.902 35 Q HN 0.563 nan 8.270 nan 0.000 0.421 36 D N -0.359 120.038 120.400 -0.006 0.000 2.378 36 D HA -0.147 4.493 4.640 -0.000 0.000 0.222 36 D C 0.282 176.581 176.300 -0.002 0.000 0.980 36 D CA 0.904 54.902 54.000 -0.002 0.000 0.907 36 D CB -0.062 40.737 40.800 -0.002 0.000 0.899 36 D HN 0.187 nan 8.370 nan 0.000 0.527 37 K N -0.147 120.250 120.400 -0.005 0.000 2.681 37 K HA 0.370 4.690 4.320 -0.000 0.000 0.211 37 K C 0.815 177.413 176.600 -0.004 0.000 1.075 37 K CA 0.147 56.432 56.287 -0.004 0.000 1.141 37 K CB 0.598 33.095 32.500 -0.006 0.000 0.896 37 K HN 0.148 nan 8.250 nan 0.000 0.470 38 G N 0.967 109.765 108.800 -0.003 0.000 2.187 38 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.261 38 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.261 38 G C 0.425 175.320 174.900 -0.008 0.000 1.000 38 G CA 0.181 45.279 45.100 -0.003 0.000 0.718 38 G HN 0.536 nan 8.290 nan 0.000 0.519 39 G N -1.531 107.261 108.800 -0.013 0.000 2.532 39 G HA2 0.609 4.569 3.960 -0.000 0.000 0.291 39 G HA3 0.609 4.569 3.960 -0.000 0.000 0.291 39 G C 1.069 175.952 174.900 -0.028 0.000 1.349 39 G CA -0.432 44.655 45.100 -0.021 0.000 1.038 39 G HN 0.415 nan 8.290 nan 0.000 0.518 40 L N -0.014 121.183 121.223 -0.043 0.000 2.477 40 L HA 0.208 4.548 4.340 -0.000 0.000 0.220 40 L C 2.161 178.989 176.870 -0.070 0.000 1.106 40 L CA 0.773 55.580 54.840 -0.054 0.000 0.851 40 L CB -0.027 41.988 42.059 -0.072 0.000 0.994 40 L HN 0.917 nan 8.230 nan 0.000 0.462 41 G N 1.099 109.858 108.800 -0.069 0.000 2.148 41 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.254 41 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.254 41 G C 0.309 175.141 174.900 -0.113 0.000 0.981 41 G CA -0.090 44.967 45.100 -0.073 0.000 0.670 41 G HN 0.278 nan 8.290 nan 0.000 0.528 42 I N 0.283 120.757 120.570 -0.159 0.000 2.634 42 I HA 0.184 4.354 4.170 -0.000 0.000 0.284 42 I C 1.355 177.388 176.117 -0.139 0.000 1.124 42 I CA 0.307 61.468 61.300 -0.231 0.000 1.417 42 I CB 0.966 38.781 38.000 -0.308 0.000 1.396 42 I HN 0.167 nan 8.210 nan 0.000 0.571 43 E N 3.754 123.880 120.200 -0.123 0.000 2.501 43 E HA 0.138 4.488 4.350 -0.000 0.000 0.201 43 E C -0.220 176.352 176.600 -0.047 0.000 1.016 43 E CA 0.055 56.416 56.400 -0.066 0.000 0.920 43 E CB 0.617 30.290 29.700 -0.044 0.000 1.023 43 E HN 0.517 nan 8.360 nan 0.000 0.474 44 E N 0.016 120.182 120.200 -0.056 0.000 2.375 44 E HA 0.341 4.691 4.350 -0.000 0.000 0.280 44 E C -2.012 174.573 176.600 -0.026 0.000 0.972 44 E CA -0.612 55.770 56.400 -0.030 0.000 0.782 44 E CB 2.326 32.018 29.700 -0.013 0.000 1.229 44 E HN -0.066 nan 8.360 nan 0.000 0.439 45 V N 4.714 124.620 119.914 -0.013 0.000 2.735 45 V HA 0.567 4.687 4.120 -0.000 0.000 0.310 45 V C -0.887 175.210 176.094 0.005 0.000 1.061 45 V CA -0.682 61.615 62.300 -0.005 0.000 0.913 45 V CB 1.838 33.653 31.823 -0.013 0.000 1.005 45 V HN 0.839 nan 8.190 nan 0.000 0.428 46 M N 7.472 127.080 119.600 0.013 0.000 2.044 46 M HA 0.547 5.027 4.480 -0.000 0.000 0.333 46 M C -1.118 175.172 176.300 -0.016 0.000 1.004 46 M CA -0.509 54.797 55.300 0.011 0.000 0.954 46 M CB 0.814 33.430 32.600 0.027 0.000 1.468 46 M HN 0.615 nan 8.290 nan 0.000 0.414 47 I N 4.336 124.893 120.570 -0.022 0.000 2.494 47 I HA 0.028 4.198 4.170 -0.000 0.000 0.289 47 I C 0.189 176.247 176.117 -0.099 0.000 1.106 47 I CA -0.063 61.184 61.300 -0.089 0.000 1.369 47 I CB 0.082 38.043 38.000 -0.066 0.000 1.410 47 I HN 0.584 nan 8.210 nan 0.000 0.523 48 D N 6.788 127.088 120.400 -0.166 0.000 2.374 48 D HA 0.074 4.714 4.640 -0.000 0.000 0.240 48 D C 0.281 176.459 176.300 -0.203 0.000 1.229 48 D CA 0.023 53.940 54.000 -0.139 0.000 0.895 48 D CB 0.367 41.067 40.800 -0.166 0.000 1.046 48 D HN 0.301 nan 8.370 nan 0.000 0.498 49 F N 1.663 121.582 119.950 -0.052 0.000 2.765 49 F HA 0.126 4.653 4.527 -0.000 0.000 0.302 49 F C 2.099 177.874 175.800 -0.041 0.000 1.111 49 F CA -0.100 57.876 58.000 -0.040 0.000 1.359 49 F CB 0.312 39.287 39.000 -0.041 0.000 1.097 49 F HN 0.451 nan 8.300 nan 0.000 0.577 50 E N 0.061 120.314 120.200 0.089 0.000 2.042 50 E HA -0.027 4.323 4.350 -0.000 0.000 0.189 50 E C 1.777 178.394 176.600 0.028 0.000 0.974 50 E CA 1.096 57.523 56.400 0.045 0.000 0.806 50 E CB -0.184 29.519 29.700 0.006 0.000 0.769 50 E HN 0.309 nan 8.360 nan 0.000 0.451 51 G N 0.964 109.765 108.800 0.002 0.000 3.969 51 G HA2 0.164 4.124 3.960 -0.000 0.000 0.291 51 G HA3 0.164 4.124 3.960 -0.000 0.000 0.291 51 G C -0.248 174.650 174.900 -0.004 0.000 1.016 51 G CA -0.380 44.722 45.100 0.003 0.000 0.819 51 G HN -0.007 nan 8.290 nan 0.000 0.493 52 K N 0.099 120.492 120.400 -0.011 0.000 2.385 52 K HA 0.506 4.826 4.320 -0.000 0.000 0.248 52 K C 0.073 176.668 176.600 -0.008 0.000 0.955 52 K CA -0.962 55.307 56.287 -0.030 0.000 0.816 52 K CB 1.816 34.261 32.500 -0.091 0.000 1.250 52 K HN -0.088 nan 8.250 nan 0.000 0.434 53 L N 2.935 124.158 121.223 -0.000 0.000 2.798 53 L HA 0.091 4.431 4.340 -0.000 0.000 0.254 53 L C -0.545 176.331 176.870 0.010 0.000 1.176 53 L CA 0.840 55.695 54.840 0.024 0.000 0.991 53 L CB -1.133 40.946 42.059 0.033 0.000 1.225 53 L HN 0.634 nan 8.230 nan 0.000 0.420 54 T N 2.521 117.041 114.554 -0.057 0.000 2.871 54 T HA 0.093 4.443 4.350 -0.000 0.000 0.296 54 T C -2.139 172.586 174.700 0.041 0.000 0.998 54 T CA -0.655 61.342 62.100 -0.172 0.000 1.162 54 T CB 0.001 68.472 68.868 -0.661 0.000 0.947 54 T HN 0.221 nan 8.240 nan 0.000 0.536 55 P HA 0.120 nan 4.420 nan 0.000 0.276 55 P C 0.277 177.824 177.300 0.411 0.000 1.244 55 P CA -0.688 62.575 63.100 0.273 0.000 0.801 55 P CB 0.652 32.517 31.700 0.275 0.000 1.006 56 Y N 1.348 121.794 120.300 0.243 0.000 2.483 56 Y HA -0.235 4.315 4.550 -0.000 0.000 0.291 56 Y C 1.646 177.513 175.900 -0.055 0.000 1.143 56 Y CA 1.818 59.957 58.100 0.065 0.000 1.289 56 Y CB -0.432 37.913 38.460 -0.193 0.000 0.983 56 Y HN 0.404 nan 8.280 nan 0.000 0.556 57 H N -1.256 117.948 119.070 0.223 0.000 2.544 57 H HA 0.004 4.560 4.556 -0.000 0.000 0.269 57 H C 2.098 177.445 175.328 0.032 0.000 0.970 57 H CA 0.957 57.066 56.048 0.102 0.000 1.219 57 H CB -0.163 29.674 29.762 0.126 0.000 1.421 57 H HN 0.416 nan 8.280 nan 0.000 0.555 58 Q N 0.700 120.587 119.800 0.144 0.000 2.135 58 Q HA -0.177 4.163 4.340 -0.000 0.000 0.204 58 Q C 1.522 177.535 176.000 0.021 0.000 0.981 58 Q CA 2.257 58.084 55.803 0.040 0.000 0.856 58 Q CB -0.014 28.677 28.738 -0.078 0.000 0.902 58 Q HN 0.430 nan 8.270 nan 0.000 0.425 59 T N -0.018 114.568 114.554 0.052 0.000 2.580 59 T HA -0.229 4.120 4.350 -0.000 0.000 0.265 59 T C 1.913 176.595 174.700 -0.031 0.000 1.063 59 T CA 1.937 64.049 62.100 0.020 0.000 1.170 59 T CB -0.674 68.181 68.868 -0.023 0.000 0.863 59 T HN 0.568 nan 8.240 nan 0.000 0.418 60 S N 1.221 116.883 115.700 -0.063 0.000 2.481 60 S HA -0.065 4.405 4.470 -0.000 0.000 0.231 60 S C 2.046 176.642 174.600 -0.006 0.000 0.996 60 S CA 0.673 58.846 58.200 -0.045 0.000 0.942 60 S CB -0.463 62.701 63.200 -0.059 0.000 0.768 60 S HN 0.497 nan 8.310 nan 0.000 0.520 61 Q N 0.424 120.234 119.800 0.017 0.000 2.084 61 Q HA 0.017 4.357 4.340 -0.000 0.000 0.202 61 Q C 2.056 178.057 176.000 0.002 0.000 0.978 61 Q CA 1.864 57.680 55.803 0.022 0.000 0.844 61 Q CB -0.289 28.470 28.738 0.035 0.000 0.898 61 Q HN 0.646 nan 8.270 nan 0.000 0.426 62 I N -0.052 120.514 120.570 -0.006 0.000 2.333 62 I HA -0.188 3.982 4.170 -0.000 0.000 0.246 62 I C 2.305 178.413 176.117 -0.014 0.000 1.106 62 I CA 0.638 61.931 61.300 -0.013 0.000 1.411 62 I CB -0.284 37.705 38.000 -0.018 0.000 1.082 62 I HN 0.135 nan 8.210 nan 0.000 0.420 63 A N 1.425 124.234 122.820 -0.018 0.000 1.834 63 A HA -0.182 4.138 4.320 -0.000 0.000 0.216 63 A C 2.231 179.803 177.584 -0.019 0.000 1.203 63 A CA 1.612 53.635 52.037 -0.023 0.000 0.621 63 A CB -1.133 17.847 19.000 -0.033 0.000 0.841 63 A HN 0.364 nan 8.150 nan 0.000 0.446 64 L N -0.372 120.840 121.223 -0.018 0.000 2.191 64 L HA -0.104 4.236 4.340 -0.000 0.000 0.212 64 L C 2.746 179.611 176.870 -0.008 0.000 1.103 64 L CA 0.916 55.748 54.840 -0.013 0.000 0.769 64 L CB -0.998 41.055 42.059 -0.009 0.000 0.908 64 L HN 0.514 nan 8.230 nan 0.000 0.438 65 G N 0.535 109.331 108.800 -0.006 0.000 2.453 65 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.215 65 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.215 65 G C 1.612 176.508 174.900 -0.007 0.000 1.201 65 G CA 0.611 45.708 45.100 -0.005 0.000 0.784 65 G HN 0.184 nan 8.290 nan 0.000 0.545 66 L N 0.204 121.421 121.223 -0.010 0.000 1.956 66 L HA -0.158 4.182 4.340 -0.000 0.000 0.216 66 L C 2.942 179.805 176.870 -0.011 0.000 1.073 66 L CA 1.305 56.138 54.840 -0.012 0.000 0.762 66 L CB -0.548 41.503 42.059 -0.015 0.000 0.889 66 L HN 0.216 nan 8.230 nan 0.000 0.433 67 I N -0.083 120.480 120.570 -0.012 0.000 2.143 67 I HA -0.405 3.765 4.170 -0.000 0.000 0.245 67 I C 2.748 178.860 176.117 -0.008 0.000 1.068 67 I CA 1.968 63.261 61.300 -0.011 0.000 1.326 67 I CB -0.509 37.483 38.000 -0.014 0.000 1.028 67 I HN 0.422 nan 8.210 nan 0.000 0.412 68 S N 0.391 116.087 115.700 -0.007 0.000 2.481 68 S HA -0.071 4.399 4.470 -0.000 0.000 0.231 68 S C 1.389 175.987 174.600 -0.004 0.000 0.996 68 S CA 0.831 59.029 58.200 -0.004 0.000 0.942 68 S CB -0.329 62.869 63.200 -0.003 0.000 0.768 68 S HN 0.400 nan 8.310 nan 0.000 0.520 69 N N 1.168 119.865 118.700 -0.005 0.000 2.295 69 N HA 0.283 5.023 4.740 -0.000 0.000 0.221 69 N C 1.164 176.670 175.510 -0.006 0.000 1.129 69 N CA 0.624 53.670 53.050 -0.005 0.000 0.836 69 N CB 0.302 38.786 38.487 -0.006 0.000 1.040 69 N HN 0.643 nan 8.380 nan 0.000 0.494 70 G N 0.419 109.215 108.800 -0.006 0.000 2.234 70 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.260 70 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.260 70 G C 0.119 175.015 174.900 -0.008 0.000 0.987 70 G CA -0.075 45.021 45.100 -0.006 0.000 0.625 70 G HN 0.365 nan 8.290 nan 0.000 0.532 71 I N 2.851 123.415 120.570 -0.010 0.000 2.312 71 I HA 0.378 4.548 4.170 -0.000 0.000 0.291 71 I C 0.419 176.528 176.117 -0.012 0.000 1.031 71 I CA -0.807 60.486 61.300 -0.012 0.000 1.293 71 I CB 0.996 38.988 38.000 -0.014 0.000 1.403 71 I HN -0.059 nan 8.210 nan 0.000 0.484 72 I N 8.307 128.870 120.570 -0.012 0.000 2.315 72 I HA 0.326 4.496 4.170 -0.000 0.000 0.291 72 I C -2.319 173.791 176.117 -0.013 0.000 1.006 72 I CA -2.143 59.150 61.300 -0.012 0.000 1.265 72 I CB 0.863 38.857 38.000 -0.010 0.000 1.387 72 I HN 0.183 nan 8.210 nan 0.000 0.475 73 P HA 0.259 nan 4.420 nan 0.000 0.276 73 P C 0.850 178.142 177.300 -0.013 0.000 1.235 73 P CA 0.408 63.499 63.100 -0.015 0.000 0.772 73 P CB 1.023 32.712 31.700 -0.018 0.000 0.871 74 G N 2.649 111.443 108.800 -0.010 0.000 2.218 74 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.216 74 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.216 74 G C 0.769 175.667 174.900 -0.003 0.000 0.994 74 G CA 0.240 45.336 45.100 -0.006 0.000 0.637 74 G HN 0.530 nan 8.290 nan 0.000 0.505 75 K N -0.897 119.500 120.400 -0.005 0.000 2.509 75 K HA 0.205 4.525 4.320 -0.000 0.000 0.205 75 K C 1.161 177.759 176.600 -0.004 0.000 1.336 75 K CA 0.447 56.733 56.287 -0.003 0.000 0.912 75 K CB 0.168 32.665 32.500 -0.004 0.000 1.568 75 K HN 0.079 nan 8.250 nan 0.000 0.475 76 D N 0.999 121.395 120.400 -0.007 0.000 2.262 76 D HA 0.003 4.643 4.640 -0.000 0.000 0.212 76 D C 0.773 177.066 176.300 -0.013 0.000 0.964 76 D CA 0.759 54.753 54.000 -0.009 0.000 0.875 76 D CB 0.555 41.349 40.800 -0.011 0.000 0.996 76 D HN 0.103 nan 8.370 nan 0.000 0.497 77 V N -2.124 117.781 119.914 -0.014 0.000 3.078 77 V HA 0.611 4.731 4.120 -0.000 0.000 0.311 77 V C -0.658 175.428 176.094 -0.013 0.000 1.138 77 V CA -1.214 61.075 62.300 -0.017 0.000 1.007 77 V CB 2.938 34.748 31.823 -0.023 0.000 1.045 77 V HN -0.210 nan 8.190 nan 0.000 0.432 78 R N 1.013 121.505 120.500 -0.013 0.000 2.562 78 R HA 0.821 5.161 4.340 -0.000 0.000 0.298 78 R C -1.684 174.610 176.300 -0.009 0.000 0.961 78 R CA -0.599 55.495 56.100 -0.008 0.000 0.881 78 R CB 2.190 32.488 30.300 -0.004 0.000 1.159 78 R HN 0.744 nan 8.270 nan 0.000 0.450 79 V N 3.306 123.216 119.914 -0.007 0.000 2.357 79 V HA 0.317 4.437 4.120 -0.000 0.000 0.284 79 V C -0.464 175.631 176.094 0.001 0.000 1.018 79 V CA -0.387 61.910 62.300 -0.005 0.000 0.841 79 V CB 1.797 33.615 31.823 -0.008 0.000 0.991 79 V HN 0.807 nan 8.190 nan 0.000 0.437 80 T N 7.125 121.683 114.554 0.007 0.000 3.150 80 T HA 0.336 4.686 4.350 -0.000 0.000 0.383 80 T C -2.696 172.019 174.700 0.026 0.000 1.313 80 T CA -1.223 60.884 62.100 0.012 0.000 1.235 80 T CB 1.172 70.044 68.868 0.007 0.000 1.088 80 T HN 0.354 nan 8.240 nan 0.000 0.556 81 P HA 0.149 nan 4.420 nan 0.000 0.268 81 P C -0.154 177.188 177.300 0.071 0.000 1.205 81 P CA -0.460 62.699 63.100 0.097 0.000 0.771 81 P CB 0.632 32.405 31.700 0.123 0.000 0.858 82 R N 4.608 125.165 120.500 0.095 0.000 2.239 82 R HA 0.378 4.718 4.340 -0.000 0.000 0.332 82 R C -0.006 176.347 176.300 0.089 0.000 0.988 82 R CA -0.585 55.547 56.100 0.053 0.000 0.859 82 R CB -0.179 30.135 30.300 0.022 0.000 1.148 82 R HN 0.518 nan 8.270 nan 0.000 0.482 83 I N 1.350 121.928 120.570 0.014 0.000 2.918 83 I HA 0.664 4.834 4.170 -0.000 0.000 0.316 83 I C -2.311 173.761 176.117 -0.074 0.000 1.001 83 I CA -3.062 58.220 61.300 -0.031 0.000 1.142 83 I CB 1.518 39.435 38.000 -0.139 0.000 1.356 83 I HN 0.379 nan 8.210 nan 0.000 0.524 84 P HA 0.061 nan 4.420 nan 0.000 0.274 84 P C -1.118 176.042 177.300 -0.233 0.000 1.231 84 P CA -0.271 62.767 63.100 -0.104 0.000 0.790 84 P CB 0.524 32.191 31.700 -0.055 0.000 0.951 85 N N 1.407 119.990 118.700 -0.196 0.000 2.401 85 N HA 0.144 4.884 4.740 -0.000 0.000 0.255 85 N C 1.164 176.575 175.510 -0.165 0.000 1.110 85 N CA -0.163 52.719 53.050 -0.281 0.000 0.949 85 N CB 0.414 38.862 38.487 -0.064 0.000 1.110 85 N HN 0.332 nan 8.380 nan 0.000 0.490 86 A N 4.303 126.970 122.820 -0.256 0.000 2.024 86 A HA -0.159 4.161 4.320 -0.000 0.000 0.220 86 A C 1.489 179.140 177.584 0.112 0.000 1.164 86 A CA 1.126 53.158 52.037 -0.008 0.000 0.643 86 A CB -0.240 18.804 19.000 0.073 0.000 0.806 86 A HN 0.751 nan 8.150 nan 0.000 0.451 87 N N -0.570 118.253 118.700 0.205 0.000 2.467 87 N HA 0.003 4.743 4.740 -0.000 0.000 0.184 87 N C 1.240 176.801 175.510 0.086 0.000 1.106 87 N CA 0.703 53.844 53.050 0.151 0.000 0.892 87 N CB 0.181 38.773 38.487 0.175 0.000 0.969 87 N HN 0.494 nan 8.380 nan 0.000 0.454 88 K N 0.144 120.583 120.400 0.065 0.000 2.362 88 K HA 0.164 4.484 4.320 -0.000 0.000 0.203 88 K C 1.286 177.899 176.600 0.022 0.000 1.198 88 K CA 0.191 56.501 56.287 0.037 0.000 0.908 88 K CB 0.689 33.210 32.500 0.034 0.000 1.236 88 K HN 0.128 nan 8.250 nan 0.000 0.487 89 E N 1.186 121.393 120.200 0.011 0.000 3.145 89 E HA 0.043 4.393 4.350 -0.000 0.000 0.412 89 E C -0.134 176.475 176.600 0.016 0.000 0.371 89 E CA 0.015 56.421 56.400 0.010 0.000 2.392 89 E CB 0.592 30.295 29.700 0.004 0.000 2.126 89 E HN 0.126 nan 8.360 nan 0.000 0.483 90 S N -1.376 114.335 115.700 0.018 0.000 2.579 90 S HA 0.221 4.691 4.470 -0.000 0.000 0.272 90 S C 0.775 175.411 174.600 0.060 0.000 1.141 90 S CA -0.502 57.719 58.200 0.035 0.000 0.843 90 S CB 1.433 64.653 63.200 0.034 0.000 1.122 90 S HN 0.125 nan 8.310 nan 0.000 0.468 91 V N 1.202 121.173 119.914 0.094 0.000 2.261 91 V HA -0.076 4.044 4.120 -0.000 0.000 0.246 91 V C 2.099 178.333 176.094 0.234 0.000 1.047 91 V CA 2.046 64.437 62.300 0.152 0.000 1.015 91 V CB -1.516 30.418 31.823 0.186 0.000 0.642 91 V HN 0.863 nan 8.190 nan 0.000 0.446 92 F N 0.348 120.290 119.950 -0.012 0.000 2.065 92 F HA -0.253 4.274 4.527 -0.000 0.000 0.298 92 F C 2.891 178.673 175.800 -0.029 0.000 1.112 92 F CA 1.860 59.849 58.000 -0.018 0.000 1.212 92 F CB -0.237 38.756 39.000 -0.012 0.000 0.975 92 F HN -0.025 nan 8.300 nan 0.000 0.476 93 R N -0.055 120.543 120.500 0.163 0.000 2.103 93 R HA -0.256 4.084 4.340 -0.000 0.000 0.242 93 R C 2.164 178.457 176.300 -0.011 0.000 1.142 93 R CA 1.902 58.041 56.100 0.065 0.000 0.960 93 R CB -0.507 29.828 30.300 0.059 0.000 0.858 93 R HN 0.400 nan 8.270 nan 0.000 0.439 94 Q N 0.424 120.208 119.800 -0.026 0.000 2.123 94 Q HA -0.092 4.248 4.340 -0.000 0.000 0.199 94 Q C 2.073 178.004 176.000 -0.114 0.000 0.966 94 Q CA 0.943 56.685 55.803 -0.102 0.000 0.845 94 Q CB 0.095 28.750 28.738 -0.138 0.000 0.907 94 Q HN 0.374 nan 8.270 nan 0.000 0.439 95 L N 0.563 121.744 121.223 -0.069 0.000 2.046 95 L HA -0.221 4.119 4.340 -0.000 0.000 0.208 95 L C 2.743 179.542 176.870 -0.119 0.000 1.077 95 L CA 1.051 55.836 54.840 -0.091 0.000 0.747 95 L CB -0.431 41.561 42.059 -0.112 0.000 0.896 95 L HN 0.472 nan 8.230 nan 0.000 0.432 96 M N 0.041 119.570 119.600 -0.120 0.000 2.082 96 M HA -0.254 4.226 4.480 -0.000 0.000 0.258 96 M C 2.499 178.721 176.300 -0.131 0.000 1.071 96 M CA 2.762 58.008 55.300 -0.091 0.000 1.103 96 M CB -0.504 32.060 32.600 -0.059 0.000 1.307 96 M HN 0.343 nan 8.290 nan 0.000 0.409 97 S N 0.776 116.269 115.700 -0.345 0.000 2.368 97 S HA -0.141 4.329 4.470 -0.000 0.000 0.225 97 S C 2.017 176.329 174.600 -0.480 0.000 1.030 97 S CA 1.693 59.438 58.200 -0.758 0.000 0.999 97 S CB -1.024 61.582 63.200 -0.990 0.000 0.844 97 S HN 0.630 nan 8.310 nan 0.000 0.459 98 I N 1.319 121.721 120.570 -0.280 0.000 2.208 98 I HA -0.224 3.946 4.170 -0.000 0.000 0.245 98 I C 2.672 178.710 176.117 -0.131 0.000 1.097 98 I CA 1.520 62.714 61.300 -0.176 0.000 1.363 98 I CB -0.375 37.557 38.000 -0.114 0.000 1.051 98 I HN 0.263 nan 8.210 nan 0.000 0.413 99 M N 0.240 119.796 119.600 -0.072 0.000 2.213 99 M HA -0.195 4.285 4.480 -0.000 0.000 0.263 99 M C 2.525 178.812 176.300 -0.021 0.000 1.062 99 M CA 2.108 57.430 55.300 0.036 0.000 1.105 99 M CB -0.315 32.375 32.600 0.151 0.000 1.385 99 M HN 0.378 nan 8.290 nan 0.000 0.417 100 S N 0.349 115.882 115.700 -0.278 0.000 2.383 100 S HA -0.101 4.369 4.470 -0.000 0.000 0.227 100 S C 1.742 176.122 174.600 -0.367 0.000 1.026 100 S CA 1.009 58.768 58.200 -0.735 0.000 0.981 100 S CB -0.891 61.717 63.200 -0.985 0.000 0.818 100 S HN 0.471 nan 8.310 nan 0.000 0.472 101 I N 1.619 122.038 120.570 -0.253 0.000 2.142 101 I HA -0.155 4.015 4.170 -0.000 0.000 0.240 101 I C 2.307 178.350 176.117 -0.124 0.000 1.078 101 I CA 1.048 62.254 61.300 -0.157 0.000 1.343 101 I CB -0.477 37.449 38.000 -0.123 0.000 1.046 101 I HN 0.252 nan 8.210 nan 0.000 0.405 102 I N 0.627 121.138 120.570 -0.098 0.000 2.127 102 I HA -0.296 3.874 4.170 -0.000 0.000 0.241 102 I C 2.547 178.596 176.117 -0.114 0.000 1.075 102 I CA 1.665 62.926 61.300 -0.066 0.000 1.334 102 I CB -1.507 36.490 38.000 -0.005 0.000 1.040 102 I HN 0.381 nan 8.210 nan 0.000 0.405 103 E N 0.510 120.640 120.200 -0.116 0.000 2.085 103 E HA -0.215 4.135 4.350 -0.000 0.000 0.194 103 E C 2.102 178.560 176.600 -0.237 0.000 0.994 103 E CA 2.104 58.381 56.400 -0.205 0.000 0.801 103 E CB 0.110 29.772 29.700 -0.064 0.000 0.743 103 E HN 0.444 nan 8.360 nan 0.000 0.453 104 T N 1.016 115.455 114.554 -0.192 0.000 2.746 104 T HA -0.122 4.228 4.350 -0.000 0.000 0.267 104 T C 1.547 176.168 174.700 -0.133 0.000 1.039 104 T CA 1.251 63.258 62.100 -0.154 0.000 1.142 104 T CB -0.273 68.512 68.868 -0.138 0.000 0.866 104 T HN 0.143 nan 8.240 nan 0.000 0.444 105 N N 0.794 119.418 118.700 -0.126 0.000 2.149 105 N HA -0.060 4.680 4.740 -0.000 0.000 0.188 105 N C 1.832 177.267 175.510 -0.126 0.000 1.019 105 N CA 0.634 53.622 53.050 -0.103 0.000 0.857 105 N CB -0.667 37.770 38.487 -0.082 0.000 0.997 105 N HN 0.204 nan 8.380 nan 0.000 0.426 106 V N 1.079 120.873 119.914 -0.201 0.000 2.379 106 V HA -0.202 3.918 4.120 -0.000 0.000 0.245 106 V C 2.116 178.083 176.094 -0.212 0.000 1.044 106 V CA 1.512 63.658 62.300 -0.256 0.000 1.036 106 V CB -0.471 31.021 31.823 -0.552 0.000 0.664 106 V HN 0.333 nan 8.190 nan 0.000 0.453 107 Q N 0.530 120.202 119.800 -0.213 0.000 2.046 107 Q HA -0.156 4.184 4.340 -0.000 0.000 0.200 107 Q C 2.495 178.444 176.000 -0.085 0.000 0.975 107 Q CA 2.048 57.771 55.803 -0.133 0.000 0.836 107 Q CB -0.388 28.282 28.738 -0.114 0.000 0.896 107 Q HN 0.780 nan 8.270 nan 0.000 0.428 108 S N 1.014 116.665 115.700 -0.082 0.000 2.355 108 S HA -0.184 4.286 4.470 -0.000 0.000 0.222 108 S C 1.930 176.502 174.600 -0.047 0.000 1.031 108 S CA 1.125 59.291 58.200 -0.056 0.000 0.993 108 S CB -0.270 62.898 63.200 -0.053 0.000 0.859 108 S HN 0.209 nan 8.310 nan 0.000 0.453 109 K N 1.255 121.623 120.400 -0.054 0.000 2.032 109 K HA -0.176 4.144 4.320 -0.000 0.000 0.209 109 K C 2.284 178.864 176.600 -0.033 0.000 1.048 109 K CA 1.760 58.023 56.287 -0.040 0.000 0.927 109 K CB -0.308 32.166 32.500 -0.043 0.000 0.712 109 K HN 0.546 nan 8.250 nan 0.000 0.441 110 E N 0.373 120.548 120.200 -0.041 0.000 2.097 110 E HA -0.223 4.127 4.350 -0.000 0.000 0.196 110 E C 2.163 178.751 176.600 -0.020 0.000 1.000 110 E CA 1.435 57.818 56.400 -0.028 0.000 0.804 110 E CB -0.098 29.583 29.700 -0.032 0.000 0.740 110 E HN 0.280 nan 8.360 nan 0.000 0.454 111 L N 0.136 121.344 121.223 -0.023 0.000 2.109 111 L HA -0.132 4.208 4.340 -0.000 0.000 0.207 111 L C 2.751 179.613 176.870 -0.014 0.000 1.086 111 L CA 1.641 56.471 54.840 -0.017 0.000 0.760 111 L CB -0.239 41.809 42.059 -0.018 0.000 0.910 111 L HN 0.272 nan 8.230 nan 0.000 0.437 112 T N -5.144 109.400 114.554 -0.016 0.000 3.053 112 T HA 0.354 4.704 4.350 -0.000 0.000 0.236 112 T C 1.458 176.152 174.700 -0.011 0.000 0.996 112 T CA 0.693 62.786 62.100 -0.013 0.000 1.185 112 T CB 0.682 69.541 68.868 -0.014 0.000 0.892 112 T HN 0.297 nan 8.240 nan 0.000 0.432 113 G N 0.273 109.065 108.800 -0.013 0.000 2.738 113 G HA2 0.006 3.966 3.960 -0.000 0.000 0.195 113 G HA3 0.006 3.966 3.960 -0.000 0.000 0.195 113 G C 0.161 175.053 174.900 -0.012 0.000 1.001 113 G CA 0.061 45.155 45.100 -0.011 0.000 0.759 113 G HN 0.766 nan 8.290 nan 0.000 0.494 114 T N 4.316 118.861 114.554 -0.015 0.000 2.770 114 T HA 0.608 4.958 4.350 -0.000 0.000 0.283 114 T C -2.761 171.926 174.700 -0.022 0.000 0.988 114 T CA -1.104 60.987 62.100 -0.015 0.000 0.957 114 T CB 2.788 71.649 68.868 -0.012 0.000 0.930 114 T HN 0.123 nan 8.240 nan 0.000 0.443 115 P HA 0.211 nan 4.420 nan 0.000 0.271 115 P C 0.538 177.821 177.300 -0.029 0.000 1.220 115 P CA -0.223 62.857 63.100 -0.033 0.000 0.768 115 P CB 0.855 32.535 31.700 -0.033 0.000 0.848 116 A N 4.900 127.699 122.820 -0.036 0.000 1.902 116 A HA -0.078 4.242 4.320 -0.000 0.000 0.217 116 A C 1.154 178.724 177.584 -0.024 0.000 1.181 116 A CA 1.255 53.275 52.037 -0.030 0.000 0.623 116 A CB -0.778 18.200 19.000 -0.036 0.000 0.818 116 A HN 0.596 nan 8.150 nan 0.000 0.443 117 I N -0.636 119.918 120.570 -0.028 0.000 2.433 117 I HA 0.269 4.439 4.170 -0.000 0.000 0.292 117 I C 0.932 177.039 176.117 -0.016 0.000 1.001 117 I CA 0.110 61.397 61.300 -0.021 0.000 1.119 117 I CB 2.318 40.301 38.000 -0.028 0.000 1.289 117 I HN 0.206 nan 8.210 nan 0.000 0.438 118 S N 2.544 118.241 115.700 -0.006 0.000 2.554 118 S HA 0.362 4.832 4.470 -0.000 0.000 0.227 118 S C 0.319 174.925 174.600 0.010 0.000 1.050 118 S CA -0.338 57.863 58.200 0.002 0.000 0.927 118 S CB 0.223 63.428 63.200 0.009 0.000 0.859 118 S HN 0.664 nan 8.310 nan 0.000 0.494 119 E N 0.594 120.798 120.200 0.007 0.000 2.410 119 E HA 0.701 5.051 4.350 -0.000 0.000 0.269 119 E C -1.433 175.168 176.600 0.003 0.000 0.937 119 E CA -1.131 55.276 56.400 0.011 0.000 0.793 119 E CB 2.683 32.391 29.700 0.014 0.000 1.314 119 E HN 0.255 nan 8.360 nan 0.000 0.447 120 V N -1.619 118.296 119.914 0.001 0.000 2.841 120 V HA 0.652 4.772 4.120 -0.000 0.000 0.310 120 V C -0.722 175.366 176.094 -0.011 0.000 1.090 120 V CA -0.974 61.320 62.300 -0.009 0.000 0.930 120 V CB 1.537 33.344 31.823 -0.027 0.000 1.014 120 V HN 0.415 nan 8.190 nan 0.000 0.425 121 V N 3.679 123.586 119.914 -0.011 0.000 2.472 121 V HA 0.653 4.773 4.120 -0.000 0.000 0.290 121 V C -0.184 175.890 176.094 -0.034 0.000 1.037 121 V CA -0.438 61.852 62.300 -0.017 0.000 0.908 121 V CB 1.744 33.561 31.823 -0.010 0.000 0.985 121 V HN 0.785 nan 8.190 nan 0.000 0.454 122 V N 7.051 126.942 119.914 -0.038 0.000 2.483 122 V HA 0.439 4.559 4.120 -0.000 0.000 0.297 122 V C -2.399 173.678 176.094 -0.028 0.000 1.027 122 V CA -1.688 60.573 62.300 -0.065 0.000 0.855 122 V CB 2.023 33.787 31.823 -0.099 0.000 0.995 122 V HN 0.739 nan 8.190 nan 0.000 0.424 123 P HA 0.414 nan 4.420 nan 0.000 0.279 123 P C 0.257 177.563 177.300 0.011 0.000 1.276 123 P CA -0.772 62.324 63.100 -0.007 0.000 0.801 123 P CB 0.353 32.050 31.700 -0.005 0.000 1.127 124 M N -1.808 117.802 119.600 0.016 0.000 2.206 124 M HA -0.157 4.323 4.480 -0.000 0.000 0.197 124 M C -0.648 175.678 176.300 0.043 0.000 0.375 124 M CA 0.624 55.941 55.300 0.028 0.000 0.410 124 M CB -1.349 31.269 32.600 0.031 0.000 1.204 124 M HN 0.227 nan 8.290 nan 0.000 0.932 125 I N 0.390 120.979 120.570 0.032 0.000 2.395 125 I HA 0.088 4.258 4.170 -0.000 0.000 0.289 125 I C 1.098 177.213 176.117 -0.002 0.000 1.023 125 I CA 0.528 61.848 61.300 0.033 0.000 1.350 125 I CB 1.431 39.439 38.000 0.014 0.000 1.409 125 I HN 0.383 nan 8.210 nan 0.000 0.507 126 E N 2.229 122.424 120.200 -0.007 0.000 2.444 126 E HA 0.028 4.378 4.350 -0.000 0.000 0.209 126 E C 0.116 176.691 176.600 -0.043 0.000 0.806 126 E CA 0.140 56.527 56.400 -0.022 0.000 1.240 126 E CB 0.910 30.607 29.700 -0.005 0.000 1.238 126 E HN 0.760 nan 8.360 nan 0.000 0.591 127 T N -2.885 111.636 114.554 -0.056 0.000 2.887 127 T HA 0.480 4.830 4.350 -0.000 0.000 0.288 127 T C 1.083 175.726 174.700 -0.095 0.000 1.021 127 T CA -0.332 61.726 62.100 -0.069 0.000 1.000 127 T CB 1.794 70.621 68.868 -0.068 0.000 1.034 127 T HN 0.013 nan 8.240 nan 0.000 0.467 128 G N 1.089 109.844 108.800 -0.075 0.000 2.422 128 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.218 128 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.218 128 G C 1.304 176.165 174.900 -0.064 0.000 1.140 128 G CA 0.461 45.527 45.100 -0.057 0.000 0.775 128 G HN 0.764 nan 8.290 nan 0.000 0.545 129 K N 0.704 121.058 120.400 -0.077 0.000 2.148 129 K HA -0.057 4.263 4.320 -0.000 0.000 0.204 129 K C 2.186 178.653 176.600 -0.223 0.000 1.050 129 K CA 1.243 57.470 56.287 -0.099 0.000 0.942 129 K CB -0.212 32.239 32.500 -0.081 0.000 0.724 129 K HN 0.425 nan 8.250 nan 0.000 0.446 130 E N 0.603 120.629 120.200 -0.291 0.000 2.049 130 E HA -0.204 4.146 4.350 -0.000 0.000 0.198 130 E C 2.077 178.212 176.600 -0.775 0.000 1.007 130 E CA 1.820 57.877 56.400 -0.571 0.000 0.809 130 E CB -0.116 29.386 29.700 -0.329 0.000 0.749 130 E HN 0.328 nan 8.360 nan 0.000 0.450 131 I N 0.279 120.608 120.570 -0.403 0.000 2.163 131 I HA -0.279 3.891 4.170 -0.000 0.000 0.243 131 I C 2.512 178.458 176.117 -0.285 0.000 1.085 131 I CA 0.914 62.006 61.300 -0.347 0.000 1.347 131 I CB -0.395 37.262 38.000 -0.573 0.000 1.044 131 I HN 0.034 nan 8.210 nan 0.000 0.408 132 S N 0.039 115.647 115.700 -0.153 0.000 2.383 132 S HA -0.209 4.261 4.470 -0.000 0.000 0.227 132 S C 1.949 176.526 174.600 -0.039 0.000 1.026 132 S CA 1.221 59.458 58.200 0.062 0.000 0.981 132 S CB -0.264 63.022 63.200 0.143 0.000 0.818 132 S HN 0.426 nan 8.310 nan 0.000 0.472 133 E N -0.120 119.957 120.200 -0.206 0.000 2.097 133 E HA -0.181 4.169 4.350 -0.000 0.000 0.196 133 E C 1.440 177.995 176.600 -0.076 0.000 1.000 133 E CA 1.320 57.586 56.400 -0.224 0.000 0.804 133 E CB -0.077 29.353 29.700 -0.449 0.000 0.740 133 E HN 0.473 nan 8.360 nan 0.000 0.454 134 F N 0.422 120.367 119.950 -0.009 0.000 2.234 134 F HA -0.039 4.488 4.527 -0.000 0.000 0.296 134 F C 2.515 178.314 175.800 -0.002 0.000 1.089 134 F CA 0.803 58.795 58.000 -0.014 0.000 1.343 134 F CB -1.116 37.862 39.000 -0.035 0.000 1.040 134 F HN 0.043 nan 8.300 nan 0.000 0.498 135 Q N 0.994 120.903 119.800 0.182 0.000 2.152 135 Q HA -0.205 4.135 4.340 -0.000 0.000 0.206 135 Q C 1.584 177.647 176.000 0.105 0.000 0.985 135 Q CA 2.102 57.990 55.803 0.141 0.000 0.863 135 Q CB -0.480 28.369 28.738 0.186 0.000 0.904 135 Q HN 0.265 nan 8.270 nan 0.000 0.422 136 D N -0.773 119.683 120.400 0.092 0.000 2.084 136 D HA -0.132 4.508 4.640 -0.000 0.000 0.196 136 D C 1.870 178.208 176.300 0.063 0.000 0.985 136 D CA 1.204 55.242 54.000 0.064 0.000 0.826 136 D CB -0.255 40.573 40.800 0.047 0.000 0.978 136 D HN 0.188 nan 8.370 nan 0.000 0.456 137 R N 0.768 121.322 120.500 0.090 0.000 2.115 137 R HA -0.167 4.173 4.340 -0.000 0.000 0.239 137 R C 2.291 178.620 176.300 0.047 0.000 1.133 137 R CA 1.526 57.674 56.100 0.079 0.000 0.935 137 R CB -0.739 29.633 30.300 0.120 0.000 0.853 137 R HN 0.008 nan 8.270 nan 0.000 0.433 138 V N 1.552 121.497 119.914 0.051 0.000 2.277 138 V HA -0.372 3.748 4.120 -0.000 0.000 0.253 138 V C 2.002 178.106 176.094 0.015 0.000 1.067 138 V CA 2.354 64.668 62.300 0.023 0.000 1.047 138 V CB -0.761 31.081 31.823 0.031 0.000 0.649 138 V HN 0.455 nan 8.190 nan 0.000 0.447 139 N N 0.324 119.037 118.700 0.022 0.000 2.270 139 N HA -0.108 4.632 4.740 -0.000 0.000 0.181 139 N C 2.153 177.668 175.510 0.008 0.000 1.016 139 N CA 1.698 54.753 53.050 0.008 0.000 0.870 139 N CB -0.358 38.131 38.487 0.003 0.000 0.979 139 N HN 0.705 nan 8.380 nan 0.000 0.431 140 S N -0.028 115.680 115.700 0.014 0.000 2.423 140 S HA -0.048 4.422 4.470 -0.000 0.000 0.231 140 S C 2.063 176.667 174.600 0.006 0.000 1.014 140 S CA 0.871 59.077 58.200 0.011 0.000 0.965 140 S CB -0.532 62.677 63.200 0.016 0.000 0.785 140 S HN 0.029 nan 8.310 nan 0.000 0.495 141 V N 1.614 121.532 119.914 0.006 0.000 2.453 141 V HA -0.063 4.057 4.120 -0.000 0.000 0.247 141 V C 2.643 178.747 176.094 0.017 0.000 1.048 141 V CA 1.298 63.601 62.300 0.005 0.000 1.049 141 V CB -0.859 30.961 31.823 -0.005 0.000 0.672 141 V HN 0.452 nan 8.190 nan 0.000 0.457 142 V N 0.466 120.388 119.914 0.012 0.000 2.392 142 V HA -0.274 3.846 4.120 -0.000 0.000 0.249 142 V C 2.315 178.422 176.094 0.021 0.000 1.059 142 V CA 2.141 64.450 62.300 0.016 0.000 1.051 142 V CB -0.736 31.089 31.823 0.003 0.000 0.658 142 V HN 0.543 nan 8.190 nan 0.000 0.455 143 D N -0.301 120.106 120.400 0.012 0.000 2.078 143 D HA -0.173 4.467 4.640 -0.000 0.000 0.193 143 D C 2.236 178.540 176.300 0.007 0.000 0.990 143 D CA 1.515 55.520 54.000 0.007 0.000 0.827 143 D CB -0.315 40.486 40.800 0.001 0.000 0.975 143 D HN 0.313 nan 8.370 nan 0.000 0.451 144 M N 0.516 120.118 119.600 0.004 0.000 2.089 144 M HA -0.165 4.315 4.480 -0.000 0.000 0.257 144 M C 2.333 178.638 176.300 0.009 0.000 1.071 144 M CA 1.933 57.228 55.300 -0.007 0.000 1.096 144 M CB -0.757 31.837 32.600 -0.010 0.000 1.330 144 M HN 0.090 nan 8.290 nan 0.000 0.403 145 G N 0.284 109.125 108.800 0.068 0.000 2.550 145 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.222 145 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.222 145 G C 1.269 176.264 174.900 0.158 0.000 1.113 145 G CA 1.509 46.716 45.100 0.178 0.000 0.748 145 G HN 0.442 nan 8.290 nan 0.000 0.585 146 N N -0.247 118.492 118.700 0.064 0.000 2.405 146 N HA 0.044 4.784 4.740 -0.000 0.000 0.175 146 N C 1.961 177.471 175.510 -0.000 0.000 1.051 146 N CA 0.477 53.553 53.050 0.043 0.000 0.899 146 N CB 0.051 38.555 38.487 0.029 0.000 1.000 146 N HN 0.171 nan 8.380 nan 0.000 0.451 147 K N 0.886 121.268 120.400 -0.030 0.000 2.288 147 K HA 0.126 4.446 4.320 -0.000 0.000 0.201 147 K C 1.309 177.846 176.600 -0.105 0.000 1.048 147 K CA 0.760 57.013 56.287 -0.057 0.000 0.956 147 K CB 0.226 32.691 32.500 -0.058 0.000 0.746 147 K HN 0.218 nan 8.250 nan 0.000 0.461 148 N N -1.309 117.281 118.700 -0.183 0.000 2.591 148 N HA -0.001 4.739 4.740 -0.000 0.000 0.200 148 N C -0.170 175.113 175.510 -0.379 0.000 1.040 148 N CA 0.437 53.261 53.050 -0.376 0.000 0.911 148 N CB 0.131 38.202 38.487 -0.694 0.000 1.259 148 N HN 0.004 nan 8.380 nan 0.000 0.438 149 Y N 2.226 122.524 120.300 -0.005 0.000 2.301 149 Y HA 0.172 4.722 4.550 -0.000 0.000 0.325 149 Y C 1.730 177.628 175.900 -0.004 0.000 1.203 149 Y CA -0.524 57.574 58.100 -0.003 0.000 1.255 149 Y CB 1.175 39.633 38.460 -0.003 0.000 1.232 149 Y HN -0.090 nan 8.280 nan 0.000 0.501 150 K N 0.524 121.020 120.400 0.159 0.000 2.167 150 K HA -0.015 4.305 4.320 -0.000 0.000 0.203 150 K C -0.147 176.500 176.600 0.077 0.000 1.052 150 K CA 0.879 57.217 56.287 0.085 0.000 0.956 150 K CB -0.120 32.417 32.500 0.062 0.000 0.735 150 K HN 0.666 nan 8.250 nan 0.000 0.451 151 T N 3.611 118.220 114.554 0.093 0.000 2.761 151 T HA 0.165 4.515 4.350 -0.000 0.000 0.296 151 T C -0.364 174.372 174.700 0.061 0.000 0.934 151 T CA -0.361 61.770 62.100 0.051 0.000 1.091 151 T CB 0.980 69.856 68.868 0.014 0.000 0.896 151 T HN 0.058 nan 8.240 nan 0.000 0.515 152 K N 3.389 123.813 120.400 0.039 0.000 2.118 152 K HA 0.598 4.918 4.320 -0.000 0.000 0.254 152 K C -0.518 176.093 176.600 0.018 0.000 0.961 152 K CA -0.712 55.597 56.287 0.037 0.000 0.876 152 K CB 1.728 34.245 32.500 0.027 0.000 1.077 152 K HN 0.444 nan 8.250 nan 0.000 0.440 153 L N 1.860 123.094 121.223 0.018 0.000 2.386 153 L HA 0.268 4.608 4.340 -0.000 0.000 0.271 153 L C -0.383 176.487 176.870 0.001 0.000 0.993 153 L CA -0.854 53.987 54.840 0.003 0.000 0.819 153 L CB 1.986 44.044 42.059 -0.001 0.000 1.294 153 L HN 0.653 nan 8.230 nan 0.000 0.414 154 D N 2.082 122.478 120.400 -0.008 0.000 2.348 154 D HA 0.486 5.126 4.640 -0.000 0.000 0.249 154 D C -0.515 175.770 176.300 -0.026 0.000 1.110 154 D CA -0.623 53.368 54.000 -0.015 0.000 0.967 154 D CB 0.735 41.526 40.800 -0.016 0.000 1.139 154 D HN 0.055 nan 8.370 nan 0.000 0.466 155 L N 0.807 122.006 121.223 -0.040 0.000 2.417 155 L HA 0.229 4.569 4.340 -0.000 0.000 0.268 155 L C 0.846 177.657 176.870 -0.098 0.000 1.158 155 L CA -0.377 54.428 54.840 -0.058 0.000 0.819 155 L CB -0.112 41.910 42.059 -0.061 0.000 1.112 155 L HN 0.433 nan 8.230 nan 0.000 0.458 156 N N -0.246 118.394 118.700 -0.101 0.000 2.828 156 N HA -0.222 4.518 4.740 -0.000 0.000 0.248 156 N C 1.239 176.721 175.510 -0.048 0.000 1.044 156 N CA 1.080 54.057 53.050 -0.121 0.000 0.851 156 N CB -0.929 37.345 38.487 -0.354 0.000 1.136 156 N HN 0.754 nan 8.380 nan 0.000 0.572 157 S N -0.233 115.448 115.700 -0.032 0.000 2.369 157 S HA -0.118 4.352 4.470 -0.000 0.000 0.225 157 S C 1.042 175.644 174.600 0.003 0.000 1.043 157 S CA 1.326 59.519 58.200 -0.012 0.000 1.074 157 S CB 0.203 63.394 63.200 -0.014 0.000 0.962 157 S HN 0.276 nan 8.310 nan 0.000 0.433 158 V N 2.942 122.856 119.914 0.001 0.000 2.383 158 V HA 0.448 4.568 4.120 -0.000 0.000 0.275 158 V C 0.111 176.224 176.094 0.033 0.000 1.036 158 V CA -0.469 61.837 62.300 0.011 0.000 0.889 158 V CB 1.119 32.939 31.823 -0.005 0.000 0.985 158 V HN 0.208 nan 8.190 nan 0.000 0.459 159 R N 3.932 124.462 120.500 0.050 0.000 2.599 159 R HA 0.552 4.892 4.340 -0.000 0.000 0.295 159 R C -0.790 175.553 176.300 0.071 0.000 0.963 159 R CA -0.897 55.258 56.100 0.091 0.000 0.883 159 R CB 2.289 32.657 30.300 0.113 0.000 1.171 159 R HN 0.508 nan 8.270 nan 0.000 0.450 160 I N 4.301 124.921 120.570 0.083 0.000 2.648 160 I HA 0.122 4.292 4.170 -0.000 0.000 0.284 160 I C 0.831 176.958 176.117 0.017 0.000 1.153 160 I CA 0.165 61.489 61.300 0.039 0.000 1.426 160 I CB 0.083 38.095 38.000 0.020 0.000 1.381 160 I HN 0.430 nan 8.210 nan 0.000 0.571 161 I N 8.123 128.692 120.570 -0.002 0.000 2.371 161 I HA 0.205 4.375 4.170 -0.000 0.000 0.282 161 I C -2.090 174.006 176.117 -0.036 0.000 1.031 161 I CA -1.843 59.446 61.300 -0.019 0.000 1.180 161 I CB 1.573 39.562 38.000 -0.018 0.000 1.336 161 I HN 0.277 nan 8.210 nan 0.000 0.467 162 P HA -0.000 nan 4.420 nan 0.000 0.266 162 P C -0.711 176.553 177.300 -0.061 0.000 1.215 162 P CA -0.290 62.772 63.100 -0.064 0.000 0.763 162 P CB 1.010 32.644 31.700 -0.110 0.000 0.806 163 L N 6.441 127.639 121.223 -0.041 0.000 2.264 163 L HA 0.330 4.670 4.340 -0.000 0.000 0.289 163 L C -0.842 176.005 176.870 -0.039 0.000 1.044 163 L CA -0.384 54.430 54.840 -0.043 0.000 0.807 163 L CB 1.035 43.078 42.059 -0.027 0.000 1.192 163 L HN 0.074 nan 8.230 nan 0.000 0.425 164 V N 5.862 125.743 119.914 -0.056 0.000 2.459 164 V HA 0.474 4.594 4.120 -0.000 0.000 0.295 164 V C 0.240 176.307 176.094 -0.045 0.000 1.029 164 V CA -0.368 61.901 62.300 -0.052 0.000 0.874 164 V CB 1.399 33.177 31.823 -0.076 0.000 0.985 164 V HN 0.872 nan 8.190 nan 0.000 0.438 165 E N 1.542 121.728 120.200 -0.023 0.000 2.715 165 E HA 0.177 4.527 4.350 -0.000 0.000 0.224 165 E C -0.641 175.971 176.600 0.019 0.000 0.962 165 E CA -0.322 56.073 56.400 -0.009 0.000 1.145 165 E CB 1.035 30.738 29.700 0.006 0.000 1.083 165 E HN 0.682 nan 8.360 nan 0.000 0.506 166 D N 0.603 121.009 120.400 0.009 0.000 2.233 166 D HA 0.133 4.773 4.640 -0.000 0.000 0.240 166 D C 1.055 177.319 176.300 -0.060 0.000 1.074 166 D CA -0.467 53.559 54.000 0.042 0.000 0.838 166 D CB 1.942 42.760 40.800 0.030 0.000 1.124 166 D HN -0.242 nan 8.370 nan 0.000 0.475 167 V N 5.696 125.516 119.914 -0.157 0.000 2.255 167 V HA -0.136 3.984 4.120 -0.000 0.000 0.247 167 V C -0.913 174.974 176.094 -0.344 0.000 1.051 167 V CA 1.674 63.749 62.300 -0.375 0.000 1.018 167 V CB -1.163 30.211 31.823 -0.749 0.000 0.641 167 V HN 0.652 nan 8.190 nan 0.000 0.445 168 P HA -0.235 nan 4.420 nan 0.000 0.216 168 P C 1.665 178.882 177.300 -0.139 0.000 1.157 168 P CA 2.387 65.354 63.100 -0.222 0.000 0.880 168 P CB -0.224 31.386 31.700 -0.151 0.000 0.791 169 A N -1.143 121.611 122.820 -0.110 0.000 1.972 169 A HA -0.148 4.172 4.320 -0.000 0.000 0.219 169 A C 2.224 179.747 177.584 -0.101 0.000 1.169 169 A CA 1.374 53.358 52.037 -0.088 0.000 0.635 169 A CB -1.518 17.440 19.000 -0.070 0.000 0.810 169 A HN 0.138 nan 8.150 nan 0.000 0.446 170 L N -1.230 119.924 121.223 -0.115 0.000 2.179 170 L HA -0.069 4.271 4.340 -0.000 0.000 0.208 170 L C 3.015 179.819 176.870 -0.110 0.000 1.096 170 L CA 0.770 55.542 54.840 -0.112 0.000 0.779 170 L CB -0.500 41.491 42.059 -0.114 0.000 0.922 170 L HN 0.420 nan 8.230 nan 0.000 0.443 171 A N 0.031 122.779 122.820 -0.121 0.000 1.972 171 A HA -0.129 4.191 4.320 -0.000 0.000 0.219 171 A C 1.030 178.564 177.584 -0.083 0.000 1.169 171 A CA 1.252 53.223 52.037 -0.110 0.000 0.635 171 A CB -0.306 18.623 19.000 -0.118 0.000 0.810 171 A HN 0.526 nan 8.150 nan 0.000 0.446 172 N N -0.482 118.172 118.700 -0.077 0.000 2.765 172 N HA 0.211 4.951 4.740 -0.000 0.000 0.277 172 N C 0.137 175.606 175.510 -0.068 0.000 1.750 172 N CA -0.208 52.810 53.050 -0.054 0.000 0.827 172 N CB 1.131 39.593 38.487 -0.041 0.000 1.200 172 N HN 0.290 nan 8.380 nan 0.000 0.494 173 I N 1.826 122.344 120.570 -0.086 0.000 2.493 173 I HA -0.208 3.962 4.170 -0.000 0.000 0.254 173 I C 1.936 177.936 176.117 -0.195 0.000 1.160 173 I CA 1.502 62.719 61.300 -0.137 0.000 1.445 173 I CB -0.025 37.886 38.000 -0.147 0.000 1.086 173 I HN 0.295 nan 8.210 nan 0.000 0.433 174 D N 0.670 120.998 120.400 -0.120 0.000 2.158 174 D HA -0.306 4.334 4.640 -0.000 0.000 0.197 174 D C 2.034 178.289 176.300 -0.075 0.000 0.995 174 D CA 1.503 55.454 54.000 -0.082 0.000 0.846 174 D CB -0.658 40.242 40.800 0.167 0.000 0.941 174 D HN 0.418 nan 8.370 nan 0.000 0.456 175 R N 0.178 120.652 120.500 -0.044 0.000 2.080 175 R HA -0.074 4.266 4.340 -0.000 0.000 0.236 175 R C 2.705 178.967 176.300 -0.063 0.000 1.137 175 R CA 1.307 57.394 56.100 -0.022 0.000 0.943 175 R CB -0.446 29.840 30.300 -0.023 0.000 0.846 175 R HN 0.207 nan 8.270 nan 0.000 0.431 176 I N 0.689 121.186 120.570 -0.121 0.000 2.226 176 I HA -0.248 3.922 4.170 -0.000 0.000 0.245 176 I C 2.175 178.180 176.117 -0.187 0.000 1.100 176 I CA 1.346 62.565 61.300 -0.135 0.000 1.374 176 I CB -0.246 37.664 38.000 -0.149 0.000 1.057 176 I HN 0.099 nan 8.210 nan 0.000 0.413 177 L N -0.343 120.648 121.223 -0.386 0.000 2.005 177 L HA -0.202 4.137 4.340 -0.000 0.000 0.207 177 L C 2.258 178.949 176.870 -0.297 0.000 1.072 177 L CA 1.287 55.691 54.840 -0.725 0.000 0.744 177 L CB -0.786 40.207 42.059 -1.776 0.000 0.895 177 L HN 0.248 nan 8.230 nan 0.000 0.433 178 D N -0.032 120.384 120.400 0.027 0.000 2.149 178 D HA -0.267 4.373 4.640 -0.000 0.000 0.194 178 D C 2.038 178.466 176.300 0.214 0.000 1.001 178 D CA 1.694 55.907 54.000 0.356 0.000 0.849 178 D CB 0.085 41.069 40.800 0.307 0.000 0.939 178 D HN 0.421 nan 8.370 nan 0.000 0.449 179 E N -0.673 119.589 120.200 0.103 0.000 2.072 179 E HA -0.206 4.144 4.350 -0.000 0.000 0.190 179 E C 2.118 178.773 176.600 0.091 0.000 0.982 179 E CA 0.705 57.148 56.400 0.072 0.000 0.803 179 E CB -0.003 29.714 29.700 0.029 0.000 0.755 179 E HN 0.236 nan 8.360 nan 0.000 0.453 180 H N -0.167 118.896 119.070 -0.012 0.000 2.267 180 H HA -0.226 4.330 4.556 -0.000 0.000 0.297 180 H C 1.856 177.215 175.328 0.052 0.000 1.080 180 H CA 2.330 58.371 56.048 -0.011 0.000 1.278 180 H CB -0.908 28.824 29.762 -0.049 0.000 1.365 180 H HN 0.279 nan 8.280 nan 0.000 0.489 181 Y N 1.375 121.576 120.300 -0.165 0.000 2.040 181 Y HA -0.296 4.254 4.550 -0.000 0.000 0.275 181 Y C 2.639 178.448 175.900 -0.152 0.000 1.171 181 Y CA 2.468 60.468 58.100 -0.167 0.000 1.123 181 Y CB -0.751 37.761 38.460 0.086 0.000 0.963 181 Y HN 0.346 nan 8.280 nan 0.000 0.493 182 E N 0.191 120.343 120.200 -0.081 0.000 2.065 182 E HA -0.249 4.101 4.350 -0.000 0.000 0.201 182 E C 2.176 178.678 176.600 -0.164 0.000 1.016 182 E CA 2.405 58.723 56.400 -0.137 0.000 0.818 182 E CB -0.596 29.102 29.700 -0.004 0.000 0.749 182 E HN 0.641 nan 8.360 nan 0.000 0.453 183 I N 0.076 120.586 120.570 -0.100 0.000 2.252 183 I HA -0.215 3.955 4.170 -0.000 0.000 0.245 183 I C 2.264 178.315 176.117 -0.110 0.000 1.102 183 I CA 1.028 62.284 61.300 -0.073 0.000 1.385 183 I CB -0.190 37.804 38.000 -0.011 0.000 1.064 183 I HN 0.093 nan 8.210 nan 0.000 0.414 184 E N 1.233 121.314 120.200 -0.199 0.000 2.047 184 E HA -0.218 4.132 4.350 -0.000 0.000 0.191 184 E C 2.068 178.529 176.600 -0.232 0.000 0.987 184 E CA 1.315 57.583 56.400 -0.220 0.000 0.799 184 E CB -0.095 29.338 29.700 -0.445 0.000 0.752 184 E HN 0.206 nan 8.360 nan 0.000 0.449 185 K N 0.017 120.185 120.400 -0.387 0.000 2.001 185 K HA -0.165 4.155 4.320 -0.000 0.000 0.214 185 K C 1.941 178.432 176.600 -0.182 0.000 1.050 185 K CA 1.840 57.914 56.287 -0.355 0.000 0.934 185 K CB -0.379 31.810 32.500 -0.518 0.000 0.718 185 K HN 0.212 nan 8.250 nan 0.000 0.443 186 S N 0.105 115.714 115.700 -0.151 0.000 2.584 186 S HA -0.067 4.403 4.470 -0.000 0.000 0.240 186 S C 1.109 175.679 174.600 -0.051 0.000 0.975 186 S CA 0.884 59.033 58.200 -0.085 0.000 0.949 186 S CB -0.106 63.053 63.200 -0.069 0.000 0.761 186 S HN 0.261 nan 8.310 nan 0.000 0.536 187 K N -0.031 120.344 120.400 -0.042 0.000 2.373 187 K HA 0.311 4.631 4.320 -0.000 0.000 0.202 187 K C 1.284 177.889 176.600 0.007 0.000 1.025 187 K CA 0.319 56.602 56.287 -0.006 0.000 1.115 187 K CB 0.217 32.730 32.500 0.020 0.000 0.858 187 K HN 0.475 nan 8.250 nan 0.000 0.525 188 G N 1.514 110.309 108.800 -0.009 0.000 2.205 188 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.261 188 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.261 188 G C -0.150 174.783 174.900 0.055 0.000 0.980 188 G CA 0.267 45.370 45.100 0.005 0.000 0.632 188 G HN 0.621 nan 8.290 nan 0.000 0.533 189 H N -0.053 118.977 119.070 -0.065 0.000 2.782 189 H HA 0.508 5.064 4.556 -0.000 0.000 0.285 189 H C -0.316 174.954 175.328 -0.096 0.000 1.093 189 H CA -0.793 55.220 56.048 -0.058 0.000 1.410 189 H CB 0.430 30.167 29.762 -0.043 0.000 1.439 189 H HN 0.238 nan 8.280 nan 0.000 0.469 190 I N 6.853 127.388 120.570 -0.059 0.000 2.312 190 I HA 0.143 4.313 4.170 -0.000 0.000 0.290 190 I C -0.899 175.138 176.117 -0.134 0.000 1.008 190 I CA -0.429 60.780 61.300 -0.152 0.000 1.226 190 I CB 0.548 38.520 38.000 -0.046 0.000 1.371 190 I HN 0.576 nan 8.210 nan 0.000 0.468 191 L N 9.161 130.324 121.223 -0.100 0.000 2.369 191 L HA 0.273 4.613 4.340 -0.000 0.000 0.279 191 L C 1.112 178.074 176.870 0.154 0.000 1.108 191 L CA -0.342 54.513 54.840 0.024 0.000 0.852 191 L CB 0.362 42.498 42.059 0.130 0.000 1.169 191 L HN 0.691 nan 8.230 nan 0.000 0.452 192 K N 1.556 122.012 120.400 0.092 0.000 2.367 192 K HA 0.172 4.492 4.320 -0.000 0.000 0.195 192 K C -0.339 176.306 176.600 0.075 0.000 1.060 192 K CA 0.012 56.348 56.287 0.081 0.000 1.022 192 K CB 0.493 33.035 32.500 0.070 0.000 0.894 192 K HN 0.705 nan 8.250 nan 0.000 0.540 193 D N -0.148 120.304 120.400 0.088 0.000 2.602 193 D HA 0.536 5.176 4.640 -0.000 0.000 0.236 193 D C -1.434 174.925 176.300 0.098 0.000 1.209 193 D CA -0.856 53.196 54.000 0.086 0.000 0.831 193 D CB 1.589 42.434 40.800 0.074 0.000 1.478 193 D HN -0.046 nan 8.370 nan 0.000 0.438 194 L N -0.128 121.146 121.223 0.086 0.000 2.543 194 L HA 0.515 4.855 4.340 -0.000 0.000 0.265 194 L C -1.613 175.269 176.870 0.020 0.000 0.945 194 L CA -0.462 54.421 54.840 0.073 0.000 0.869 194 L CB 2.112 44.231 42.059 0.099 0.000 1.294 194 L HN 0.633 nan 8.230 nan 0.000 0.405 195 R N 5.258 125.766 120.500 0.013 0.000 2.295 195 R HA 0.779 5.119 4.340 -0.000 0.000 0.324 195 R C -0.760 175.513 176.300 -0.046 0.000 0.968 195 R CA -0.516 55.572 56.100 -0.021 0.000 0.837 195 R CB 0.963 31.260 30.300 -0.005 0.000 1.133 195 R HN 0.790 nan 8.270 nan 0.000 0.450 196 I N 0.124 120.643 120.570 -0.085 0.000 2.957 196 I HA 0.594 4.764 4.170 -0.000 0.000 0.310 196 I C -1.107 174.945 176.117 -0.108 0.000 1.063 196 I CA -1.202 60.036 61.300 -0.103 0.000 1.033 196 I CB 2.542 40.458 38.000 -0.141 0.000 1.230 196 I HN 0.521 nan 8.210 nan 0.000 0.447 197 M N 4.225 123.763 119.600 -0.103 0.000 2.263 197 M HA 0.592 5.072 4.480 -0.000 0.000 0.295 197 M C -1.971 174.266 176.300 -0.106 0.000 1.028 197 M CA -0.517 54.720 55.300 -0.105 0.000 0.921 197 M CB 2.191 34.744 32.600 -0.079 0.000 1.601 197 M HN 0.623 nan 8.290 nan 0.000 0.440 198 I N 3.153 123.648 120.570 -0.124 0.000 2.474 198 I HA 0.605 4.775 4.170 -0.000 0.000 0.294 198 I C -0.219 175.826 176.117 -0.121 0.000 1.005 198 I CA -0.617 60.613 61.300 -0.116 0.000 1.113 198 I CB 2.217 40.145 38.000 -0.121 0.000 1.289 198 I HN 0.748 nan 8.210 nan 0.000 0.436 199 A N 5.440 128.202 122.820 -0.096 0.000 2.249 199 A HA 0.498 4.818 4.320 -0.000 0.000 0.314 199 A C 0.855 178.373 177.584 -0.111 0.000 1.290 199 A CA -0.495 51.487 52.037 -0.093 0.000 0.893 199 A CB 0.623 19.595 19.000 -0.048 0.000 1.165 199 A HN 0.719 nan 8.150 nan 0.000 0.530 200 R N 1.465 121.877 120.500 -0.147 0.000 2.153 200 R HA -0.062 4.278 4.340 -0.000 0.000 0.218 200 R C 1.876 178.091 176.300 -0.141 0.000 1.072 200 R CA 1.751 57.758 56.100 -0.155 0.000 0.990 200 R CB -0.346 29.831 30.300 -0.205 0.000 0.889 200 R HN 0.844 nan 8.270 nan 0.000 0.452 201 S N 0.330 115.970 115.700 -0.100 0.000 2.325 201 S HA -0.083 4.387 4.470 -0.000 0.000 0.214 201 S C 1.595 176.172 174.600 -0.038 0.000 1.031 201 S CA 1.045 59.215 58.200 -0.051 0.000 0.972 201 S CB -0.527 62.673 63.200 -0.000 0.000 0.908 201 S HN 0.148 nan 8.310 nan 0.000 0.453 202 D N 1.583 121.977 120.400 -0.010 0.000 2.219 202 D HA -0.052 4.588 4.640 -0.000 0.000 0.205 202 D C 2.217 178.500 176.300 -0.027 0.000 0.970 202 D CA 1.621 55.624 54.000 0.004 0.000 0.851 202 D CB -0.128 40.685 40.800 0.021 0.000 0.943 202 D HN 0.682 nan 8.370 nan 0.000 0.488 203 T N -2.115 112.412 114.554 -0.045 0.000 2.770 203 T HA 0.006 4.356 4.350 -0.000 0.000 0.258 203 T C 2.163 176.808 174.700 -0.092 0.000 1.039 203 T CA 0.968 63.061 62.100 -0.012 0.000 1.143 203 T CB -0.651 68.195 68.868 -0.037 0.000 0.866 203 T HN 0.037 nan 8.240 nan 0.000 0.428 204 A N 1.763 124.431 122.820 -0.252 0.000 1.978 204 A HA -0.005 4.315 4.320 -0.000 0.000 0.220 204 A C 2.478 179.807 177.584 -0.426 0.000 1.170 204 A CA 1.958 53.695 52.037 -0.500 0.000 0.636 204 A CB -0.923 17.518 19.000 -0.932 0.000 0.810 204 A HN 0.617 nan 8.150 nan 0.000 0.448 205 M N -0.486 119.010 119.600 -0.174 0.000 2.086 205 M HA -0.146 4.334 4.480 -0.000 0.000 0.261 205 M C 2.125 178.380 176.300 -0.074 0.000 1.067 205 M CA 2.277 57.654 55.300 0.129 0.000 1.116 205 M CB -0.126 32.474 32.600 0.001 0.000 1.348 205 M HN 0.376 nan 8.290 nan 0.000 0.407 206 S N -0.832 114.731 115.700 -0.227 0.000 2.371 206 S HA -0.076 4.394 4.470 -0.000 0.000 0.224 206 S C 1.236 175.456 174.600 -0.632 0.000 1.029 206 S CA 1.082 58.990 58.200 -0.488 0.000 0.978 206 S CB -0.208 62.679 63.200 -0.521 0.000 0.833 206 S HN 0.613 nan 8.310 nan 0.000 0.466 207 Y N 0.556 120.678 120.300 -0.296 0.000 2.444 207 Y HA 0.459 5.009 4.550 -0.000 0.000 0.252 207 Y C 1.183 176.710 175.900 -0.621 0.000 1.091 207 Y CA 0.198 58.124 58.100 -0.289 0.000 1.276 207 Y CB 0.657 39.019 38.460 -0.164 0.000 1.170 207 Y HN 0.332 nan 8.280 nan 0.000 0.517 208 G N -0.147 108.081 108.800 -0.954 0.000 2.459 208 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.685 208 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.685 208 G C -0.224 174.511 174.900 -0.275 0.000 1.303 208 G CA -0.443 44.055 45.100 -1.003 0.000 0.907 208 G HN 0.125 nan 8.290 nan 0.000 0.632 209 L N 0.958 122.203 121.223 0.037 0.000 1.915 209 L HA 0.060 4.400 4.340 -0.000 0.000 0.225 209 L C 2.926 179.876 176.870 0.134 0.000 1.084 209 L CA 2.700 57.609 54.840 0.116 0.000 0.788 209 L CB -1.002 41.269 42.059 0.352 0.000 0.892 209 L HN 0.739 nan 8.230 nan 0.000 0.434 210 I N -0.453 120.255 120.570 0.230 0.000 2.151 210 I HA -0.384 3.786 4.170 -0.000 0.000 0.243 210 I C 2.422 178.619 176.117 0.133 0.000 1.080 210 I CA 1.700 63.172 61.300 0.287 0.000 1.339 210 I CB -0.661 37.465 38.000 0.210 0.000 1.039 210 I HN 0.412 nan 8.210 nan 0.000 0.409 211 S N 0.918 116.668 115.700 0.083 0.000 2.359 211 S HA -0.200 4.270 4.470 -0.000 0.000 0.223 211 S C 2.174 176.761 174.600 -0.022 0.000 1.039 211 S CA 1.515 59.740 58.200 0.041 0.000 1.042 211 S CB -1.303 61.925 63.200 0.046 0.000 0.915 211 S HN 0.645 nan 8.310 nan 0.000 0.439 212 G N 1.309 110.079 108.800 -0.050 0.000 2.402 212 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.216 212 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.216 212 G C 1.458 176.309 174.900 -0.081 0.000 1.162 212 G CA 0.863 45.914 45.100 -0.083 0.000 0.777 212 G HN 0.430 nan 8.290 nan 0.000 0.539 213 V N 1.062 120.933 119.914 -0.072 0.000 2.295 213 V HA -0.136 3.984 4.120 -0.000 0.000 0.246 213 V C 2.910 178.913 176.094 -0.152 0.000 1.049 213 V CA 1.391 63.610 62.300 -0.135 0.000 1.024 213 V CB -0.481 31.111 31.823 -0.384 0.000 0.648 213 V HN 0.328 nan 8.190 nan 0.000 0.447 214 L N 0.797 121.952 121.223 -0.112 0.000 2.042 214 L HA -0.190 4.150 4.340 -0.000 0.000 0.210 214 L C 2.786 179.583 176.870 -0.121 0.000 1.076 214 L CA 2.040 56.823 54.840 -0.095 0.000 0.749 214 L CB -0.809 41.254 42.059 0.007 0.000 0.893 214 L HN 0.600 nan 8.230 nan 0.000 0.432 215 S N -0.757 114.879 115.700 -0.106 0.000 2.368 215 S HA -0.146 4.324 4.470 -0.000 0.000 0.225 215 S C 1.945 176.482 174.600 -0.105 0.000 1.030 215 S CA 1.148 59.275 58.200 -0.122 0.000 0.999 215 S CB -0.887 62.228 63.200 -0.143 0.000 0.844 215 S HN 0.159 nan 8.310 nan 0.000 0.459 216 V N 2.620 122.487 119.914 -0.078 0.000 2.252 216 V HA -0.202 3.918 4.120 -0.000 0.000 0.249 216 V C 2.626 178.716 176.094 -0.006 0.000 1.056 216 V CA 2.154 64.432 62.300 -0.038 0.000 1.022 216 V CB -0.971 30.852 31.823 -0.001 0.000 0.641 216 V HN 0.474 nan 8.190 nan 0.000 0.445 217 L N -1.278 119.935 121.223 -0.017 0.000 2.043 217 L HA -0.283 4.057 4.340 -0.000 0.000 0.212 217 L C 2.591 179.415 176.870 -0.076 0.000 1.075 217 L CA 1.940 56.776 54.840 -0.005 0.000 0.752 217 L CB -0.543 41.463 42.059 -0.088 0.000 0.891 217 L HN 0.323 nan 8.230 nan 0.000 0.432 218 M N -0.795 118.689 119.600 -0.193 0.000 2.080 218 M HA -0.234 4.246 4.480 -0.000 0.000 0.260 218 M C 2.564 178.821 176.300 -0.072 0.000 1.068 218 M CA 2.050 57.230 55.300 -0.200 0.000 1.109 218 M CB -0.615 31.871 32.600 -0.190 0.000 1.342 218 M HN 0.370 nan 8.290 nan 0.000 0.405 219 A N -0.113 122.670 122.820 -0.063 0.000 1.877 219 A HA -0.096 4.224 4.320 -0.000 0.000 0.216 219 A C 2.247 179.821 177.584 -0.017 0.000 1.186 219 A CA 1.589 53.594 52.037 -0.052 0.000 0.620 219 A CB -1.018 17.935 19.000 -0.078 0.000 0.822 219 A HN 0.295 nan 8.150 nan 0.000 0.443 220 V N 0.595 120.524 119.914 0.026 0.000 2.231 220 V HA -0.321 3.799 4.120 -0.000 0.000 0.248 220 V C 2.379 178.592 176.094 0.198 0.000 1.054 220 V CA 2.715 65.066 62.300 0.085 0.000 1.015 220 V CB -0.891 31.029 31.823 0.162 0.000 0.638 220 V HN 0.772 nan 8.190 nan 0.000 0.444 221 D N 0.280 120.836 120.400 0.261 0.000 2.077 221 D HA -0.122 4.518 4.640 -0.000 0.000 0.193 221 D C 2.169 178.617 176.300 0.246 0.000 0.989 221 D CA 1.671 55.871 54.000 0.332 0.000 0.831 221 D CB -0.706 40.359 40.800 0.443 0.000 0.979 221 D HN 0.329 nan 8.370 nan 0.000 0.449 222 G N -0.293 108.596 108.800 0.148 0.000 2.532 222 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.222 222 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.222 222 G C 1.537 176.514 174.900 0.128 0.000 1.102 222 G CA 1.279 46.446 45.100 0.113 0.000 0.742 222 G HN 0.467 nan 8.290 nan 0.000 0.577 223 A N -0.248 122.619 122.820 0.079 0.000 1.903 223 A HA 0.212 4.532 4.320 -0.000 0.000 0.213 223 A C 2.142 179.786 177.584 0.100 0.000 1.185 223 A CA 1.110 53.161 52.037 0.024 0.000 0.628 223 A CB -0.447 18.459 19.000 -0.156 0.000 0.830 223 A HN 0.307 nan 8.150 nan 0.000 0.446 224 Y N 0.671 121.047 120.300 0.127 0.000 2.165 224 Y HA -0.205 4.345 4.550 -0.000 0.000 0.286 224 Y C 2.386 178.348 175.900 0.104 0.000 1.155 224 Y CA 1.952 60.117 58.100 0.108 0.000 1.164 224 Y CB -0.329 38.177 38.460 0.076 0.000 0.978 224 Y HN 0.261 nan 8.280 nan 0.000 0.513 225 K N -1.310 119.249 120.400 0.265 0.000 2.044 225 K HA -0.280 4.040 4.320 -0.000 0.000 0.210 225 K C 1.937 178.620 176.600 0.137 0.000 1.049 225 K CA 1.960 58.344 56.287 0.162 0.000 0.927 225 K CB -0.712 31.875 32.500 0.145 0.000 0.713 225 K HN 0.404 nan 8.250 nan 0.000 0.443 226 W N 1.122 122.434 121.300 0.020 0.000 2.335 226 W HA -0.184 4.476 4.660 -0.000 0.000 0.311 226 W C 2.097 178.621 176.519 0.009 0.000 1.213 226 W CA 2.217 59.572 57.345 0.017 0.000 1.274 226 W CB -0.734 28.737 29.460 0.018 0.000 1.148 226 W HN 0.135 nan 8.180 nan 0.000 0.498 227 G N 0.132 109.063 108.800 0.219 0.000 2.442 227 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.219 227 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.219 227 G C 1.352 176.177 174.900 -0.125 0.000 1.141 227 G CA 1.163 46.287 45.100 0.040 0.000 0.763 227 G HN 0.303 nan 8.290 nan 0.000 0.554 228 E N 0.566 120.722 120.200 -0.073 0.000 2.035 228 E HA -0.242 4.108 4.350 -0.000 0.000 0.204 228 E C 2.294 178.744 176.600 -0.250 0.000 1.025 228 E CA 1.466 57.798 56.400 -0.114 0.000 0.835 228 E CB -0.381 29.276 29.700 -0.073 0.000 0.764 228 E HN 0.527 nan 8.360 nan 0.000 0.457 229 K N 0.219 120.374 120.400 -0.409 0.000 2.103 229 K HA -0.183 4.137 4.320 -0.000 0.000 0.207 229 K C 0.991 177.113 176.600 -0.797 0.000 1.048 229 K CA 1.590 57.496 56.287 -0.636 0.000 0.930 229 K CB -0.092 31.891 32.500 -0.863 0.000 0.716 229 K HN 0.245 nan 8.250 nan 0.000 0.444 230 H N -1.881 116.832 119.070 -0.594 0.000 2.512 230 H HA 0.257 4.813 4.556 -0.000 0.000 0.276 230 H C 0.399 175.488 175.328 -0.398 0.000 1.126 230 H CA 0.182 55.857 56.048 -0.622 0.000 1.060 230 H CB 1.239 30.196 29.762 -1.342 0.000 1.646 230 H HN 0.413 nan 8.280 nan 0.000 0.571 231 G N 1.161 109.838 108.800 -0.205 0.000 2.283 231 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.280 231 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.280 231 G C -0.144 174.719 174.900 -0.062 0.000 1.029 231 G CA 0.551 45.593 45.100 -0.098 0.000 0.840 231 G HN 0.282 nan 8.290 nan 0.000 0.505 232 V N 0.199 120.056 119.914 -0.095 0.000 2.483 232 V HA 0.556 4.676 4.120 -0.000 0.000 0.295 232 V C 0.731 176.856 176.094 0.053 0.000 1.035 232 V CA -0.332 61.960 62.300 -0.013 0.000 0.896 232 V CB 1.923 33.738 31.823 -0.013 0.000 0.986 232 V HN 0.272 nan 8.190 nan 0.000 0.447 233 T N 6.456 121.054 114.554 0.072 0.000 2.739 233 T HA 0.384 4.734 4.350 -0.000 0.000 0.298 233 T C -0.003 174.746 174.700 0.082 0.000 0.929 233 T CA -0.135 62.018 62.100 0.088 0.000 1.014 233 T CB -0.172 68.742 68.868 0.077 0.000 0.914 233 T HN 0.237 nan 8.240 nan 0.000 0.509 234 I N 2.983 123.595 120.570 0.070 0.000 2.395 234 I HA 0.286 4.456 4.170 -0.000 0.000 0.289 234 I C 0.771 176.842 176.117 -0.076 0.000 1.023 234 I CA -0.299 60.957 61.300 -0.074 0.000 1.350 234 I CB 1.324 39.129 38.000 -0.325 0.000 1.409 234 I HN 0.480 nan 8.210 nan 0.000 0.507 235 S N 8.118 123.763 115.700 -0.092 0.000 2.389 235 S HA 0.464 4.934 4.470 -0.000 0.000 0.201 235 S C -2.623 171.922 174.600 -0.092 0.000 1.422 235 S CA -1.075 57.101 58.200 -0.041 0.000 1.216 235 S CB 0.813 64.020 63.200 0.011 0.000 1.130 235 S HN 0.339 nan 8.310 nan 0.000 0.465 236 P HA 0.460 nan 4.420 nan 0.000 0.284 236 P C -0.831 176.369 177.300 -0.165 0.000 1.253 236 P CA -0.485 62.521 63.100 -0.156 0.000 0.800 236 P CB 0.933 32.531 31.700 -0.170 0.000 0.961 237 I N 2.575 123.033 120.570 -0.185 0.000 2.441 237 I HA 0.337 4.507 4.170 -0.000 0.000 0.295 237 I C 0.197 176.138 176.117 -0.293 0.000 0.994 237 I CA -1.134 60.023 61.300 -0.239 0.000 1.144 237 I CB 1.791 39.698 38.000 -0.154 0.000 1.314 237 I HN 0.180 nan 8.210 nan 0.000 0.445 238 L N 4.812 125.762 121.223 -0.454 0.000 2.325 238 L HA 0.685 5.025 4.340 -0.000 0.000 0.279 238 L C 0.363 177.039 176.870 -0.322 0.000 1.054 238 L CA 0.114 54.704 54.840 -0.418 0.000 0.804 238 L CB 1.594 43.307 42.059 -0.576 0.000 1.200 238 L HN 0.650 nan 8.230 nan 0.000 0.436 239 G N 3.816 112.468 108.800 -0.247 0.000 2.741 239 G HA2 0.465 4.425 3.960 -0.000 0.000 0.336 239 G HA3 0.465 4.425 3.960 -0.000 0.000 0.336 239 G C -0.620 174.132 174.900 -0.246 0.000 1.022 239 G CA -0.307 44.668 45.100 -0.208 0.000 1.193 239 G HN 0.855 nan 8.290 nan 0.000 0.455 240 C N 1.874 120.995 119.300 -0.298 0.000 2.319 240 C HA 0.893 5.353 4.460 -0.000 0.000 0.323 240 C C 0.991 175.859 174.990 -0.202 0.000 1.277 240 C CA -0.998 57.863 59.018 -0.260 0.000 1.517 240 C CB 0.751 28.313 27.740 -0.297 0.000 2.206 240 C HN 0.686 nan 8.230 nan 0.000 0.486 241 G N 2.177 110.909 108.800 -0.113 0.000 2.562 241 G HA2 0.454 4.414 3.960 -0.000 0.000 0.275 241 G HA3 0.454 4.414 3.960 -0.000 0.000 0.275 241 G C 0.585 175.505 174.900 0.035 0.000 1.196 241 G CA -0.397 44.672 45.100 -0.052 0.000 0.908 241 G HN 0.820 nan 8.290 nan 0.000 0.524 242 S N -0.709 115.006 115.700 0.025 0.000 2.470 242 S HA 0.105 4.575 4.470 -0.000 0.000 0.225 242 S C 1.134 175.707 174.600 -0.045 0.000 1.006 242 S CA -0.037 58.158 58.200 -0.008 0.000 0.934 242 S CB -0.210 62.923 63.200 -0.113 0.000 0.778 242 S HN 0.280 nan 8.310 nan 0.000 0.517 243 L N 1.889 123.097 121.223 -0.025 0.000 2.395 243 L HA 0.191 4.531 4.340 -0.000 0.000 0.269 243 L C -1.552 175.295 176.870 -0.038 0.000 1.133 243 L CA -2.067 52.722 54.840 -0.086 0.000 0.812 243 L CB 0.771 42.863 42.059 0.056 0.000 1.125 243 L HN -0.051 nan 8.230 nan 0.000 0.452 244 P HA -0.266 nan 4.420 nan 0.000 0.215 244 P C 1.499 178.975 177.300 0.293 0.000 1.163 244 P CA 1.408 64.520 63.100 0.021 0.000 0.894 244 P CB 0.023 31.778 31.700 0.091 0.000 0.791 245 F N 0.162 120.237 119.950 0.208 0.000 2.147 245 F HA -0.206 4.321 4.527 -0.000 0.000 0.301 245 F C 1.883 177.796 175.800 0.189 0.000 1.084 245 F CA 1.685 59.827 58.000 0.237 0.000 1.268 245 F CB -0.266 38.911 39.000 0.294 0.000 1.009 245 F HN -0.170 nan 8.300 nan 0.000 0.486 246 R N -1.417 119.205 120.500 0.203 0.000 2.393 246 R HA 0.296 4.636 4.340 -0.000 0.000 0.244 246 R C 1.177 177.483 176.300 0.009 0.000 0.920 246 R CA 0.593 56.728 56.100 0.059 0.000 1.076 246 R CB 0.382 30.744 30.300 0.104 0.000 1.119 246 R HN 0.453 nan 8.270 nan 0.000 0.524 247 G N -0.657 108.188 108.800 0.076 0.000 3.382 247 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.214 247 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.214 247 G C 0.144 175.195 174.900 0.252 0.000 1.025 247 G CA -0.135 45.008 45.100 0.073 0.000 0.869 247 G HN 0.517 nan 8.290 nan 0.000 0.458 248 H N -1.089 118.038 119.070 0.095 0.000 2.741 248 H HA -0.223 4.333 4.556 -0.000 0.000 0.305 248 H C -0.325 175.017 175.328 0.024 0.000 1.169 248 H CA 0.397 56.459 56.048 0.024 0.000 1.144 248 H CB -1.204 28.593 29.762 0.058 0.000 1.397 248 H HN 0.460 nan 8.280 nan 0.000 0.409 249 F N 1.707 121.655 119.950 -0.004 0.000 2.423 249 F HA 0.435 4.962 4.527 -0.000 0.000 0.356 249 F C -0.110 175.570 175.800 -0.201 0.000 1.170 249 F CA 0.454 58.368 58.000 -0.143 0.000 1.163 249 F CB 0.561 39.434 39.000 -0.212 0.000 1.318 249 F HN 0.137 nan 8.300 nan 0.000 0.569 250 S N 3.649 119.050 115.700 -0.499 0.000 2.588 250 S HA 0.238 4.708 4.470 -0.000 0.000 0.275 250 S C 0.582 174.947 174.600 -0.391 0.000 1.130 250 S CA -0.672 57.297 58.200 -0.384 0.000 0.855 250 S CB 1.110 64.272 63.200 -0.063 0.000 1.116 250 S HN 0.677 nan 8.310 nan 0.000 0.472 251 E N 1.919 121.990 120.200 -0.215 0.000 2.516 251 E HA -0.087 4.263 4.350 -0.000 0.000 0.199 251 E C 0.620 177.218 176.600 -0.004 0.000 1.069 251 E CA 0.747 57.086 56.400 -0.103 0.000 0.876 251 E CB -0.055 29.676 29.700 0.052 0.000 0.843 251 E HN 0.711 nan 8.360 nan 0.000 0.530 252 E N 0.559 120.738 120.200 -0.035 0.000 2.538 252 E HA 0.099 4.449 4.350 -0.000 0.000 0.207 252 E C 0.228 176.795 176.600 -0.055 0.000 1.002 252 E CA -0.170 56.227 56.400 -0.006 0.000 0.952 252 E CB -0.080 29.634 29.700 0.024 0.000 1.031 252 E HN 0.036 nan 8.360 nan 0.000 0.476 253 N N 0.722 119.343 118.700 -0.133 0.000 2.159 253 N HA 0.173 4.913 4.740 -0.000 0.000 0.217 253 N C 1.385 176.798 175.510 -0.161 0.000 1.223 253 N CA -0.243 52.708 53.050 -0.164 0.000 0.896 253 N CB 0.442 38.771 38.487 -0.263 0.000 1.064 253 N HN 0.047 nan 8.380 nan 0.000 0.518 254 I N 1.627 122.088 120.570 -0.183 0.000 2.181 254 I HA -0.304 3.866 4.170 -0.000 0.000 0.247 254 I C 1.465 177.518 176.117 -0.107 0.000 1.081 254 I CA 1.547 62.733 61.300 -0.191 0.000 1.340 254 I CB -0.645 37.247 38.000 -0.180 0.000 1.036 254 I HN 0.141 nan 8.210 nan 0.000 0.417 255 D N 0.910 121.268 120.400 -0.070 0.000 2.088 255 D HA -0.208 4.432 4.640 -0.000 0.000 0.191 255 D C 1.974 178.259 176.300 -0.024 0.000 0.992 255 D CA 1.504 55.482 54.000 -0.037 0.000 0.831 255 D CB -0.314 40.470 40.800 -0.026 0.000 0.973 255 D HN 0.355 nan 8.370 nan 0.000 0.447 256 E N 0.460 120.642 120.200 -0.031 0.000 2.209 256 E HA -0.117 4.233 4.350 -0.000 0.000 0.196 256 E C 2.111 178.719 176.600 0.014 0.000 0.993 256 E CA 0.285 56.677 56.400 -0.014 0.000 0.819 256 E CB -0.046 29.636 29.700 -0.030 0.000 0.745 256 E HN 0.320 nan 8.360 nan 0.000 0.477 257 I N 0.056 120.642 120.570 0.026 0.000 2.193 257 I HA -0.178 3.992 4.170 -0.000 0.000 0.240 257 I C 2.091 178.318 176.117 0.182 0.000 1.084 257 I CA 1.092 62.483 61.300 0.152 0.000 1.365 257 I CB -0.797 37.250 38.000 0.077 0.000 1.064 257 I HN 0.167 nan 8.210 nan 0.000 0.410 258 L N 0.585 121.858 121.223 0.083 0.000 2.265 258 L HA -0.153 4.186 4.340 -0.000 0.000 0.215 258 L C 2.671 179.603 176.870 0.103 0.000 1.117 258 L CA 0.861 55.781 54.840 0.132 0.000 0.782 258 L CB -0.637 41.464 42.059 0.071 0.000 0.914 258 L HN 0.187 nan 8.230 nan 0.000 0.441 259 A N -0.148 122.702 122.820 0.049 0.000 1.832 259 A HA -0.146 4.174 4.320 -0.000 0.000 0.214 259 A C 2.381 179.962 177.584 -0.005 0.000 1.204 259 A CA 2.075 54.122 52.037 0.016 0.000 0.606 259 A CB -0.931 18.071 19.000 0.003 0.000 0.849 259 A HN 0.303 nan 8.150 nan 0.000 0.445 260 T N -0.722 113.790 114.554 -0.071 0.000 2.643 260 T HA -0.139 4.211 4.350 -0.000 0.000 0.264 260 T C 1.188 175.721 174.700 -0.278 0.000 1.045 260 T CA 1.836 63.779 62.100 -0.260 0.000 1.155 260 T CB -0.494 68.049 68.868 -0.542 0.000 0.863 260 T HN 0.479 nan 8.240 nan 0.000 0.420 261 Y N 1.625 122.019 120.300 0.157 0.000 2.537 261 Y HA 0.463 5.013 4.550 -0.000 0.000 0.303 261 Y C 1.243 177.273 175.900 0.216 0.000 1.176 261 Y CA -0.916 57.300 58.100 0.194 0.000 1.273 261 Y CB -0.596 38.038 38.460 0.289 0.000 1.110 261 Y HN 0.039 nan 8.280 nan 0.000 0.518 262 S N 0.253 116.091 115.700 0.230 0.000 2.563 262 S HA 0.314 4.784 4.470 -0.000 0.000 0.294 262 S C 1.283 175.992 174.600 0.181 0.000 1.279 262 S CA 1.243 59.551 58.200 0.180 0.000 1.069 262 S CB 0.114 63.361 63.200 0.078 0.000 0.828 262 S HN 0.907 nan 8.310 nan 0.000 0.497 263 G N 4.441 113.346 108.800 0.176 0.000 2.612 263 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.200 263 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.200 263 G C 0.068 175.140 174.900 0.287 0.000 1.053 263 G CA -0.209 45.041 45.100 0.249 0.000 0.707 263 G HN 0.661 nan 8.290 nan 0.000 0.497 264 I N 1.892 122.558 120.570 0.160 0.000 2.710 264 I HA 0.181 4.351 4.170 -0.000 0.000 0.286 264 I C 1.304 177.409 176.117 -0.019 0.000 1.181 264 I CA 0.892 62.146 61.300 -0.076 0.000 1.430 264 I CB 1.137 38.831 38.000 -0.511 0.000 1.367 264 I HN 0.277 nan 8.210 nan 0.000 0.577 265 K N 2.997 123.357 120.400 -0.066 0.000 2.373 265 K HA 0.163 4.483 4.320 -0.000 0.000 0.200 265 K C -0.366 176.238 176.600 0.006 0.000 1.054 265 K CA 0.332 56.637 56.287 0.030 0.000 1.065 265 K CB 0.666 33.204 32.500 0.063 0.000 0.886 265 K HN 0.656 nan 8.250 nan 0.000 0.546 266 T N 0.385 114.843 114.554 -0.160 0.000 3.071 266 T HA 0.439 4.789 4.350 -0.000 0.000 0.311 266 T C -1.038 173.472 174.700 -0.316 0.000 1.042 266 T CA -0.605 61.442 62.100 -0.088 0.000 1.028 266 T CB 1.025 69.857 68.868 -0.060 0.000 1.068 266 T HN -0.135 nan 8.240 nan 0.000 0.451 267 F N 1.810 121.752 119.950 -0.013 0.000 2.522 267 F HA 0.557 5.084 4.527 -0.000 0.000 0.324 267 F C 1.080 176.759 175.800 -0.201 0.000 1.077 267 F CA -0.938 56.897 58.000 -0.276 0.000 0.944 267 F CB 1.852 40.505 39.000 -0.578 0.000 1.175 267 F HN 0.528 nan 8.300 nan 0.000 0.468 268 T N -0.135 114.283 114.554 -0.227 0.000 2.743 268 T HA 0.452 4.802 4.350 -0.000 0.000 0.293 268 T C -0.681 173.944 174.700 -0.125 0.000 0.945 268 T CA -0.411 61.649 62.100 -0.066 0.000 1.030 268 T CB -0.222 68.579 68.868 -0.111 0.000 0.912 268 T HN 0.306 nan 8.240 nan 0.000 0.483 269 F N 2.661 122.595 119.950 -0.026 0.000 2.368 269 F HA 0.307 4.834 4.527 -0.000 0.000 0.362 269 F C 1.213 177.056 175.800 0.072 0.000 1.137 269 F CA -0.889 57.178 58.000 0.112 0.000 1.161 269 F CB 0.763 39.848 39.000 0.142 0.000 1.265 269 F HN 0.495 nan 8.300 nan 0.000 0.530 270 Q N 1.339 121.240 119.800 0.169 0.000 2.193 270 Q HA 0.241 4.581 4.340 -0.000 0.000 0.246 270 Q C 1.166 177.272 176.000 0.177 0.000 0.959 270 Q CA -0.605 55.281 55.803 0.139 0.000 0.904 270 Q CB 1.782 30.520 28.738 0.000 0.000 1.238 270 Q HN 0.636 nan 8.270 nan 0.000 0.469 271 S N 0.901 116.738 115.700 0.228 0.000 2.372 271 S HA -0.323 4.147 4.470 -0.000 0.000 0.227 271 S C 1.827 176.626 174.600 0.330 0.000 1.044 271 S CA 1.591 59.986 58.200 0.325 0.000 1.050 271 S CB -0.507 62.883 63.200 0.317 0.000 0.901 271 S HN 0.769 nan 8.310 nan 0.000 0.447 272 A N 1.552 124.511 122.820 0.232 0.000 1.884 272 A HA -0.190 4.130 4.320 -0.000 0.000 0.219 272 A C 2.180 179.925 177.584 0.267 0.000 1.197 272 A CA 2.018 54.196 52.037 0.236 0.000 0.637 272 A CB -0.994 18.112 19.000 0.177 0.000 0.827 272 A HN 0.430 nan 8.150 nan 0.000 0.450 273 L N -0.112 121.166 121.223 0.091 0.000 2.042 273 L HA -0.187 4.153 4.340 -0.000 0.000 0.210 273 L C 2.565 179.483 176.870 0.079 0.000 1.076 273 L CA 2.222 57.020 54.840 -0.069 0.000 0.749 273 L CB -0.442 41.538 42.059 -0.130 0.000 0.893 273 L HN 0.394 nan 8.230 nan 0.000 0.432 274 R N -2.115 118.413 120.500 0.047 0.000 2.115 274 R HA -0.127 4.213 4.340 -0.000 0.000 0.230 274 R C 1.911 178.051 176.300 -0.267 0.000 1.111 274 R CA 1.701 57.713 56.100 -0.146 0.000 0.976 274 R CB -0.373 29.736 30.300 -0.318 0.000 0.870 274 R HN 0.421 nan 8.270 nan 0.000 0.445 275 Y N 0.168 120.540 120.300 0.120 0.000 2.447 275 Y HA 0.090 4.640 4.550 -0.000 0.000 0.286 275 Y C 2.099 178.061 175.900 0.102 0.000 1.153 275 Y CA 0.367 58.525 58.100 0.096 0.000 1.241 275 Y CB 0.005 38.510 38.460 0.074 0.000 1.284 275 Y HN -0.110 nan 8.280 nan 0.000 0.520 276 D N -0.743 119.828 120.400 0.286 0.000 2.123 276 D HA -0.129 4.511 4.640 -0.000 0.000 0.200 276 D C 1.738 178.107 176.300 0.115 0.000 0.976 276 D CA 1.348 55.453 54.000 0.176 0.000 0.831 276 D CB -0.251 40.640 40.800 0.152 0.000 0.974 276 D HN 0.514 nan 8.370 nan 0.000 0.469 277 H N 0.553 119.673 119.070 0.083 0.000 2.395 277 H HA 0.168 4.724 4.556 -0.000 0.000 0.299 277 H C 1.313 176.669 175.328 0.047 0.000 1.070 277 H CA 1.023 57.108 56.048 0.061 0.000 1.356 277 H CB 0.594 30.385 29.762 0.049 0.000 1.401 277 H HN 0.168 nan 8.280 nan 0.000 0.524 278 G N 0.375 109.270 108.800 0.159 0.000 2.555 278 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.686 278 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.686 278 G C 0.354 175.285 174.900 0.051 0.000 1.275 278 G CA -0.121 45.028 45.100 0.082 0.000 0.871 278 G HN 0.258 nan 8.290 nan 0.000 0.603 279 E N -0.105 120.108 120.200 0.021 0.000 2.047 279 E HA -0.128 4.222 4.350 -0.000 0.000 0.191 279 E C 2.101 178.724 176.600 0.039 0.000 0.987 279 E CA 1.488 57.894 56.400 0.009 0.000 0.799 279 E CB 0.040 29.739 29.700 -0.001 0.000 0.752 279 E HN 0.471 nan 8.360 nan 0.000 0.449 280 E N 1.056 121.283 120.200 0.045 0.000 2.051 280 E HA -0.135 4.215 4.350 -0.000 0.000 0.192 280 E C 1.915 178.567 176.600 0.086 0.000 0.991 280 E CA 1.321 57.755 56.400 0.056 0.000 0.799 280 E CB -0.372 29.351 29.700 0.037 0.000 0.748 280 E HN 0.253 nan 8.360 nan 0.000 0.449 281 A N -0.361 122.508 122.820 0.081 0.000 1.883 281 A HA -0.221 4.099 4.320 -0.000 0.000 0.217 281 A C 2.457 180.121 177.584 0.133 0.000 1.186 281 A CA 2.361 54.461 52.037 0.104 0.000 0.624 281 A CB -1.131 17.942 19.000 0.122 0.000 0.822 281 A HN 0.347 nan 8.150 nan 0.000 0.444 282 T N -0.039 114.583 114.554 0.115 0.000 2.674 282 T HA -0.151 4.199 4.350 -0.000 0.000 0.265 282 T C 1.952 176.744 174.700 0.152 0.000 1.039 282 T CA 1.847 64.031 62.100 0.139 0.000 1.150 282 T CB -0.247 68.690 68.868 0.115 0.000 0.864 282 T HN 0.557 nan 8.240 nan 0.000 0.427 283 K N -0.039 120.423 120.400 0.104 0.000 2.103 283 K HA -0.178 4.142 4.320 -0.000 0.000 0.207 283 K C 2.232 178.887 176.600 0.092 0.000 1.048 283 K CA 1.555 57.887 56.287 0.075 0.000 0.930 283 K CB -0.261 32.271 32.500 0.053 0.000 0.716 283 K HN 0.467 nan 8.250 nan 0.000 0.444 284 H N 0.349 119.439 119.070 0.034 0.000 2.387 284 H HA -0.058 4.498 4.556 -0.000 0.000 0.299 284 H C 1.740 177.082 175.328 0.022 0.000 1.090 284 H CA 1.753 57.814 56.048 0.022 0.000 1.332 284 H CB 0.002 29.772 29.762 0.013 0.000 1.386 284 H HN 0.229 nan 8.280 nan 0.000 0.516 285 A N -0.082 122.758 122.820 0.034 0.000 1.872 285 A HA -0.076 4.244 4.320 -0.000 0.000 0.214 285 A C 2.689 180.323 177.584 0.082 0.000 1.187 285 A CA 1.376 53.403 52.037 -0.016 0.000 0.614 285 A CB -0.935 18.047 19.000 -0.030 0.000 0.826 285 A HN 0.322 nan 8.150 nan 0.000 0.442 286 V N 0.449 120.475 119.914 0.185 0.000 2.282 286 V HA -0.366 3.754 4.120 -0.000 0.000 0.249 286 V C 2.694 178.809 176.094 0.035 0.000 1.057 286 V CA 2.527 64.900 62.300 0.121 0.000 1.032 286 V CB -0.896 30.919 31.823 -0.013 0.000 0.645 286 V HN 0.559 nan 8.190 nan 0.000 0.447 287 R N -0.385 120.102 120.500 -0.022 0.000 2.080 287 R HA -0.245 4.095 4.340 -0.000 0.000 0.236 287 R C 2.387 178.651 176.300 -0.060 0.000 1.137 287 R CA 2.071 58.142 56.100 -0.049 0.000 0.943 287 R CB -0.439 29.816 30.300 -0.075 0.000 0.846 287 R HN 0.621 nan 8.270 nan 0.000 0.431 288 E N 0.630 120.757 120.200 -0.122 0.000 2.038 288 E HA -0.223 4.127 4.350 -0.000 0.000 0.195 288 E C 1.960 178.537 176.600 -0.038 0.000 1.000 288 E CA 1.194 57.521 56.400 -0.121 0.000 0.803 288 E CB -0.037 29.541 29.700 -0.204 0.000 0.750 288 E HN 0.104 nan 8.360 nan 0.000 0.448 289 L N 1.431 122.661 121.223 0.013 0.000 2.056 289 L HA -0.141 4.199 4.340 -0.000 0.000 0.207 289 L C 2.167 179.094 176.870 0.094 0.000 1.078 289 L CA 1.878 56.766 54.840 0.079 0.000 0.749 289 L CB -0.341 41.842 42.059 0.206 0.000 0.901 289 L HN -0.045 nan 8.230 nan 0.000 0.433 290 K N -0.698 119.749 120.400 0.077 0.000 2.281 290 K HA -0.229 4.091 4.320 -0.000 0.000 0.203 290 K C 1.998 178.622 176.600 0.039 0.000 1.046 290 K CA 1.593 57.915 56.287 0.058 0.000 0.938 290 K CB -0.004 32.514 32.500 0.030 0.000 0.737 290 K HN 0.654 nan 8.250 nan 0.000 0.458 291 E N -0.059 120.156 120.200 0.024 0.000 2.307 291 E HA -0.064 4.286 4.350 -0.000 0.000 0.195 291 E C 0.876 177.487 176.600 0.017 0.000 0.975 291 E CA 0.428 56.836 56.400 0.012 0.000 0.878 291 E CB 0.370 30.067 29.700 -0.006 0.000 0.845 291 E HN 0.130 nan 8.360 nan 0.000 0.488 292 K N 0.217 120.630 120.400 0.022 0.000 2.358 292 K HA 0.137 4.457 4.320 -0.000 0.000 0.197 292 K C 1.582 178.213 176.600 0.051 0.000 1.025 292 K CA -0.155 56.147 56.287 0.025 0.000 1.104 292 K CB 0.386 32.892 32.500 0.009 0.000 0.855 292 K HN 0.051 nan 8.250 nan 0.000 0.531 293 I N 2.007 122.622 120.570 0.075 0.000 2.567 293 I HA -0.227 3.943 4.170 -0.000 0.000 0.257 293 I C 2.023 178.192 176.117 0.088 0.000 1.184 293 I CA 0.759 62.127 61.300 0.112 0.000 1.451 293 I CB -0.189 37.894 38.000 0.138 0.000 1.089 293 I HN 0.151 nan 8.210 nan 0.000 0.441 294 A N -0.408 122.446 122.820 0.058 0.000 1.971 294 A HA -0.342 3.978 4.320 -0.000 0.000 0.222 294 A C 2.217 179.822 177.584 0.035 0.000 1.182 294 A CA 2.292 54.353 52.037 0.040 0.000 0.649 294 A CB -0.729 18.287 19.000 0.026 0.000 0.818 294 A HN 0.632 nan 8.150 nan 0.000 0.458 295 Q N -0.723 119.102 119.800 0.040 0.000 2.451 295 Q HA 0.105 4.445 4.340 -0.000 0.000 0.206 295 Q C 0.848 176.873 176.000 0.041 0.000 0.947 295 Q CA 0.440 56.261 55.803 0.030 0.000 0.937 295 Q CB 0.192 28.945 28.738 0.026 0.000 1.025 295 Q HN 0.468 nan 8.270 nan 0.000 0.511 296 S N 1.256 117.001 115.700 0.076 0.000 3.919 296 S HA 0.149 4.619 4.470 -0.000 0.000 0.245 296 S C -0.667 173.958 174.600 0.042 0.000 1.344 296 S CA -0.317 57.945 58.200 0.103 0.000 0.896 296 S CB -0.260 63.059 63.200 0.199 0.000 1.557 296 S HN 0.067 nan 8.310 nan 0.000 0.468 297 K N 3.477 123.865 120.400 -0.019 0.000 2.203 297 K HA 0.519 4.839 4.320 -0.000 0.000 0.251 297 K C -2.628 173.878 176.600 -0.158 0.000 0.944 297 K CA -2.414 53.801 56.287 -0.120 0.000 0.829 297 K CB 0.892 33.329 32.500 -0.106 0.000 1.125 297 K HN 0.233 nan 8.250 nan 0.000 0.430 298 P HA -0.074 nan 4.420 nan 0.000 0.268 298 P C -0.148 177.070 177.300 -0.138 0.000 1.189 298 P CA 0.313 63.267 63.100 -0.244 0.000 0.771 298 P CB 0.507 31.979 31.700 -0.380 0.000 0.822 299 R N 1.160 121.595 120.500 -0.107 0.000 2.265 299 R HA 0.099 4.439 4.340 -0.000 0.000 0.194 299 R C -0.060 175.984 176.300 -0.426 0.000 0.931 299 R CA -0.127 55.792 56.100 -0.302 0.000 1.032 299 R CB -0.241 29.796 30.300 -0.439 0.000 0.980 299 R HN 0.512 nan 8.270 nan 0.000 0.497 300 N N 1.283 119.850 118.700 -0.222 0.000 2.608 300 N HA -0.177 4.563 4.740 -0.000 0.000 0.273 300 N C -1.324 174.089 175.510 -0.162 0.000 1.133 300 N CA 0.838 53.819 53.050 -0.115 0.000 0.726 300 N CB -0.924 37.503 38.487 -0.100 0.000 0.890 300 N HN 0.067 nan 8.380 nan 0.000 0.548 301 F N 0.762 120.717 119.950 0.007 0.000 2.456 301 F HA 0.129 4.656 4.527 -0.000 0.000 0.358 301 F C 1.597 177.394 175.800 -0.006 0.000 1.095 301 F CA -0.517 57.484 58.000 0.001 0.000 1.216 301 F CB 0.577 39.579 39.000 0.003 0.000 1.125 301 F HN 0.063 nan 8.300 nan 0.000 0.549 302 S N 1.974 117.756 115.700 0.136 0.000 2.573 302 S HA 0.011 4.481 4.470 -0.000 0.000 0.277 302 S C 1.150 175.796 174.600 0.078 0.000 1.346 302 S CA -0.901 57.345 58.200 0.076 0.000 1.034 302 S CB 0.864 64.085 63.200 0.035 0.000 0.879 302 S HN 0.608 nan 8.310 nan 0.000 0.528 303 E N 1.731 121.954 120.200 0.039 0.000 2.086 303 E HA -0.209 4.141 4.350 -0.000 0.000 0.200 303 E C 1.966 178.560 176.600 -0.010 0.000 1.012 303 E CA 1.780 58.189 56.400 0.015 0.000 0.812 303 E CB -0.314 29.388 29.700 0.003 0.000 0.743 303 E HN 0.923 nan 8.360 nan 0.000 0.453 304 E N 0.795 120.984 120.200 -0.018 0.000 2.502 304 E HA -0.086 4.264 4.350 -0.000 0.000 0.194 304 E C 0.657 177.213 176.600 -0.073 0.000 1.062 304 E CA 0.445 56.812 56.400 -0.055 0.000 0.867 304 E CB 0.001 29.667 29.700 -0.056 0.000 0.888 304 E HN 0.079 nan 8.360 nan 0.000 0.510 305 D N 1.896 122.288 120.400 -0.015 0.000 2.106 305 D HA -0.040 4.600 4.640 -0.000 0.000 0.203 305 D C 1.709 177.966 176.300 -0.072 0.000 0.977 305 D CA 1.334 55.340 54.000 0.009 0.000 0.844 305 D CB -0.052 40.865 40.800 0.194 0.000 1.002 305 D HN 0.157 nan 8.370 nan 0.000 0.461 306 K N 0.587 120.954 120.400 -0.054 0.000 2.034 306 K HA -0.171 4.149 4.320 -0.000 0.000 0.214 306 K C 1.567 178.089 176.600 -0.130 0.000 1.051 306 K CA 1.495 57.712 56.287 -0.117 0.000 0.931 306 K CB -0.206 32.256 32.500 -0.063 0.000 0.715 306 K HN 0.137 nan 8.250 nan 0.000 0.446 307 D N 0.771 121.104 120.400 -0.110 0.000 2.221 307 D HA -0.152 4.488 4.640 -0.000 0.000 0.204 307 D C 1.812 177.994 176.300 -0.197 0.000 0.982 307 D CA 0.832 54.759 54.000 -0.122 0.000 0.857 307 D CB -0.082 40.661 40.800 -0.095 0.000 0.934 307 D HN 0.071 nan 8.370 nan 0.000 0.475 308 L N -0.304 120.749 121.223 -0.284 0.000 2.162 308 L HA 0.078 4.418 4.340 -0.000 0.000 0.205 308 L C 2.128 178.590 176.870 -0.680 0.000 1.086 308 L CA 1.027 55.540 54.840 -0.545 0.000 0.778 308 L CB -0.264 41.444 42.059 -0.585 0.000 0.928 308 L HN -0.123 nan 8.230 nan 0.000 0.446 309 M N -0.550 118.848 119.600 -0.337 0.000 2.108 309 M HA -0.238 4.242 4.480 -0.000 0.000 0.261 309 M C 2.165 178.428 176.300 -0.061 0.000 1.066 309 M CA 1.876 57.110 55.300 -0.111 0.000 1.107 309 M CB -0.288 32.238 32.600 -0.124 0.000 1.356 309 M HN 0.079 nan 8.290 nan 0.000 0.406 310 K N -0.320 120.013 120.400 -0.110 0.000 2.103 310 K HA -0.167 4.153 4.320 -0.000 0.000 0.207 310 K C 1.940 178.523 176.600 -0.029 0.000 1.048 310 K CA 1.081 57.328 56.287 -0.067 0.000 0.930 310 K CB -0.110 32.345 32.500 -0.076 0.000 0.716 310 K HN 0.248 nan 8.250 nan 0.000 0.444 311 E N 0.038 120.189 120.200 -0.081 0.000 2.107 311 E HA -0.111 4.239 4.350 -0.000 0.000 0.191 311 E C 1.914 178.616 176.600 0.170 0.000 0.982 311 E CA 0.942 57.343 56.400 0.001 0.000 0.809 311 E CB -0.124 29.547 29.700 -0.049 0.000 0.756 311 E HN 0.201 nan 8.360 nan 0.000 0.459 312 F N 0.957 120.957 119.950 0.084 0.000 2.146 312 F HA -0.056 4.471 4.527 -0.000 0.000 0.298 312 F C 2.361 178.212 175.800 0.084 0.000 1.096 312 F CA 0.171 58.233 58.000 0.102 0.000 1.275 312 F CB -1.014 38.034 39.000 0.080 0.000 1.008 312 F HN -0.036 nan 8.300 nan 0.000 0.480 313 I N -0.096 120.622 120.570 0.247 0.000 2.087 313 I HA -0.317 3.853 4.170 -0.000 0.000 0.240 313 I C 2.730 178.928 176.117 0.134 0.000 1.054 313 I CA 1.899 63.278 61.300 0.132 0.000 1.311 313 I CB -1.181 36.836 38.000 0.029 0.000 1.024 313 I HN 0.183 nan 8.210 nan 0.000 0.402 314 G N 0.401 109.271 108.800 0.117 0.000 2.448 314 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.219 314 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.219 314 G C 1.669 176.646 174.900 0.129 0.000 1.127 314 G CA 0.492 45.656 45.100 0.106 0.000 0.766 314 G HN 0.336 nan 8.290 nan 0.000 0.552 315 I N 0.275 120.955 120.570 0.184 0.000 2.142 315 I HA -0.200 3.970 4.170 -0.000 0.000 0.240 315 I C 2.751 179.048 176.117 0.299 0.000 1.078 315 I CA 0.835 62.268 61.300 0.221 0.000 1.343 315 I CB -0.265 37.900 38.000 0.275 0.000 1.046 315 I HN 0.185 nan 8.210 nan 0.000 0.405 316 C N -0.363 119.101 119.300 0.273 0.000 2.466 316 C HA -0.085 4.375 4.460 -0.000 0.000 0.278 316 C C 3.150 178.327 174.990 0.312 0.000 1.288 316 C CA 0.831 60.025 59.018 0.294 0.000 1.722 316 C CB -0.825 27.030 27.740 0.192 0.000 2.017 316 C HN 0.454 nan 8.230 nan 0.000 0.488 317 S N 0.339 116.180 115.700 0.234 0.000 2.399 317 S HA -0.185 4.285 4.470 -0.000 0.000 0.231 317 S C 1.905 176.632 174.600 0.211 0.000 1.022 317 S CA 1.244 59.593 58.200 0.247 0.000 0.983 317 S CB -0.300 63.033 63.200 0.222 0.000 0.803 317 S HN 0.663 nan 8.310 nan 0.000 0.480 318 K N 0.427 120.889 120.400 0.102 0.000 2.020 318 K HA -0.214 4.106 4.320 -0.000 0.000 0.212 318 K C 1.838 178.394 176.600 -0.074 0.000 1.050 318 K CA 1.891 58.144 56.287 -0.056 0.000 0.929 318 K CB -0.172 32.184 32.500 -0.241 0.000 0.714 318 K HN 0.487 nan 8.250 nan 0.000 0.443 319 H N -1.848 117.318 119.070 0.160 0.000 2.333 319 H HA -0.095 4.461 4.556 -0.000 0.000 0.302 319 H C 1.802 177.249 175.328 0.199 0.000 1.075 319 H CA 1.705 57.848 56.048 0.158 0.000 1.348 319 H CB -0.382 29.470 29.762 0.149 0.000 1.393 319 H HN 0.251 nan 8.280 nan 0.000 0.509 320 Y N 1.514 121.974 120.300 0.267 0.000 2.053 320 Y HA -0.296 4.254 4.550 -0.000 0.000 0.277 320 Y C 2.081 178.108 175.900 0.212 0.000 1.159 320 Y CA 1.751 59.995 58.100 0.241 0.000 1.125 320 Y CB -0.532 38.057 38.460 0.216 0.000 0.969 320 Y HN 0.078 nan 8.280 nan 0.000 0.492 321 L N -0.002 121.352 121.223 0.218 0.000 2.093 321 L HA -0.224 4.116 4.340 -0.000 0.000 0.208 321 L C 2.674 179.605 176.870 0.101 0.000 1.085 321 L CA 1.519 56.420 54.840 0.101 0.000 0.755 321 L CB -0.714 41.399 42.059 0.091 0.000 0.904 321 L HN 0.349 nan 8.230 nan 0.000 0.435 322 Q N -0.157 119.700 119.800 0.095 0.000 2.152 322 Q HA -0.218 4.122 4.340 -0.000 0.000 0.206 322 Q C 1.908 177.951 176.000 0.071 0.000 0.985 322 Q CA 2.332 58.181 55.803 0.076 0.000 0.863 322 Q CB 0.048 28.827 28.738 0.069 0.000 0.904 322 Q HN 0.511 nan 8.270 nan 0.000 0.422 323 T N -0.043 114.555 114.554 0.073 0.000 2.901 323 T HA -0.053 4.297 4.350 -0.000 0.000 0.252 323 T C 1.292 175.989 174.700 -0.005 0.000 1.035 323 T CA 0.648 62.773 62.100 0.040 0.000 1.142 323 T CB -0.532 68.374 68.868 0.064 0.000 0.869 323 T HN 0.354 nan 8.240 nan 0.000 0.442 324 F N 2.135 121.949 119.950 -0.227 0.000 2.111 324 F HA -0.188 4.339 4.527 -0.000 0.000 0.300 324 F C 1.804 177.479 175.800 -0.208 0.000 1.088 324 F CA 1.354 59.190 58.000 -0.274 0.000 1.243 324 F CB -0.445 38.295 39.000 -0.433 0.000 0.996 324 F HN 0.046 nan 8.300 nan 0.000 0.483 325 L N -0.190 121.070 121.223 0.063 0.000 2.201 325 L HA -0.188 4.152 4.340 -0.000 0.000 0.212 325 L C 2.234 179.023 176.870 -0.135 0.000 1.105 325 L CA 1.314 56.123 54.840 -0.050 0.000 0.775 325 L CB -0.507 41.588 42.059 0.060 0.000 0.913 325 L HN 0.161 nan 8.230 nan 0.000 0.440 326 K N -0.379 119.958 120.400 -0.104 0.000 2.098 326 K HA -0.074 4.246 4.320 -0.000 0.000 0.203 326 K C 1.934 178.448 176.600 -0.144 0.000 1.051 326 K CA 1.365 57.596 56.287 -0.094 0.000 0.957 326 K CB -0.103 32.365 32.500 -0.052 0.000 0.738 326 K HN 0.252 nan 8.250 nan 0.000 0.447 327 V N -0.730 119.063 119.914 -0.201 0.000 2.951 327 V HA -0.047 4.073 4.120 -0.000 0.000 0.255 327 V C 2.025 177.963 176.094 -0.260 0.000 1.088 327 V CA 0.588 62.761 62.300 -0.212 0.000 1.109 327 V CB -0.463 31.231 31.823 -0.216 0.000 0.724 327 V HN 0.091 nan 8.190 nan 0.000 0.471 328 I N 2.316 122.630 120.570 -0.426 0.000 2.194 328 I HA -0.226 3.944 4.170 -0.000 0.000 0.246 328 I C 2.036 178.022 176.117 -0.219 0.000 1.093 328 I CA 1.958 62.957 61.300 -0.501 0.000 1.355 328 I CB -0.636 36.794 38.000 -0.950 0.000 1.046 328 I HN 0.290 nan 8.210 nan 0.000 0.413 329 D N -0.229 120.083 120.400 -0.146 0.000 2.092 329 D HA -0.173 4.466 4.640 -0.000 0.000 0.193 329 D C 2.240 178.551 176.300 0.018 0.000 0.994 329 D CA 2.021 56.002 54.000 -0.031 0.000 0.828 329 D CB -0.550 40.238 40.800 -0.020 0.000 0.963 329 D HN 0.334 nan 8.370 nan 0.000 0.450 330 T N 0.426 114.973 114.554 -0.012 0.000 2.746 330 T HA -0.098 4.252 4.350 -0.000 0.000 0.267 330 T C 2.196 176.955 174.700 0.100 0.000 1.039 330 T CA 0.845 62.975 62.100 0.050 0.000 1.142 330 T CB -0.281 68.576 68.868 -0.017 0.000 0.866 330 T HN -0.043 nan 8.240 nan 0.000 0.444 331 V N 1.051 120.959 119.914 -0.009 0.000 2.343 331 V HA -0.151 3.969 4.120 -0.000 0.000 0.247 331 V C 2.667 178.777 176.094 0.026 0.000 1.051 331 V CA 1.907 64.187 62.300 -0.033 0.000 1.036 331 V CB -0.785 30.968 31.823 -0.118 0.000 0.654 331 V HN 0.474 nan 8.190 nan 0.000 0.451 332 S N -0.593 115.138 115.700 0.051 0.000 2.382 332 S HA -0.215 4.255 4.470 -0.000 0.000 0.228 332 S C 1.889 176.517 174.600 0.047 0.000 1.027 332 S CA 1.833 60.074 58.200 0.067 0.000 0.991 332 S CB -0.445 62.802 63.200 0.078 0.000 0.823 332 S HN 0.592 nan 8.310 nan 0.000 0.469 333 F N 2.030 121.955 119.950 -0.042 0.000 2.102 333 F HA -0.044 4.483 4.527 -0.000 0.000 0.298 333 F C 2.055 177.813 175.800 -0.070 0.000 1.105 333 F CA 1.569 59.537 58.000 -0.054 0.000 1.239 333 F CB -0.726 38.273 39.000 -0.001 0.000 0.991 333 F HN 0.059 nan 8.300 nan 0.000 0.474 334 V N 0.443 120.284 119.914 -0.121 0.000 2.667 334 V HA -0.223 3.897 4.120 -0.000 0.000 0.252 334 V C 2.642 178.649 176.094 -0.146 0.000 1.065 334 V CA 1.660 63.899 62.300 -0.101 0.000 1.083 334 V CB -0.952 30.910 31.823 0.065 0.000 0.692 334 V HN 0.616 nan 8.190 nan 0.000 0.468 335 S N -0.098 115.512 115.700 -0.150 0.000 2.423 335 S HA -0.231 4.239 4.470 -0.000 0.000 0.231 335 S C 1.582 176.063 174.600 -0.198 0.000 1.014 335 S CA 1.411 59.552 58.200 -0.098 0.000 0.965 335 S CB -0.476 62.722 63.200 -0.004 0.000 0.785 335 S HN 0.584 nan 8.310 nan 0.000 0.495 336 D N 1.147 121.276 120.400 -0.451 0.000 2.190 336 D HA -0.077 4.563 4.640 -0.000 0.000 0.200 336 D C 0.957 176.966 176.300 -0.486 0.000 0.992 336 D CA 1.052 54.708 54.000 -0.575 0.000 0.854 336 D CB -0.395 39.810 40.800 -0.993 0.000 0.936 336 D HN 0.557 nan 8.370 nan 0.000 0.462 337 F N 0.193 120.050 119.950 -0.155 0.000 2.765 337 F HA 0.130 4.657 4.527 -0.000 0.000 0.302 337 F C 0.894 176.651 175.800 -0.071 0.000 1.111 337 F CA -0.519 57.408 58.000 -0.122 0.000 1.359 337 F CB 0.043 38.947 39.000 -0.160 0.000 1.097 337 F HN -0.191 nan 8.300 nan 0.000 0.577 338 I N 4.364 124.977 120.570 0.072 0.000 2.436 338 I HA 0.106 4.276 4.170 -0.000 0.000 0.289 338 I C -1.982 174.162 176.117 0.045 0.000 1.083 338 I CA -3.105 58.228 61.300 0.055 0.000 1.372 338 I CB -0.248 37.777 38.000 0.042 0.000 1.408 338 I HN -0.141 nan 8.210 nan 0.000 0.516 339 P HA 0.136 nan 4.420 nan 0.000 0.268 339 P C -0.681 176.649 177.300 0.051 0.000 1.204 339 P CA -0.277 62.847 63.100 0.040 0.000 0.768 339 P CB 0.651 32.369 31.700 0.030 0.000 0.842 340 K N 2.876 123.312 120.400 0.059 0.000 2.389 340 K HA 0.241 4.561 4.320 -0.000 0.000 0.261 340 K C 0.562 177.242 176.600 0.133 0.000 1.014 340 K CA -0.359 55.975 56.287 0.079 0.000 0.920 340 K CB 0.698 33.237 32.500 0.064 0.000 1.149 340 K HN 0.310 nan 8.250 nan 0.000 0.444 341 N N 3.508 122.278 118.700 0.117 0.000 2.375 341 N HA 0.033 4.773 4.740 -0.000 0.000 0.220 341 N C -0.332 175.175 175.510 -0.006 0.000 1.170 341 N CA 0.301 53.438 53.050 0.144 0.000 0.833 341 N CB 0.375 38.882 38.487 0.033 0.000 1.069 341 N HN 0.275 nan 8.380 nan 0.000 0.479 342 R N 0.034 120.561 120.500 0.046 0.000 2.855 342 R HA 0.226 4.566 4.340 -0.000 0.000 0.266 342 R C -1.003 175.356 176.300 0.098 0.000 1.034 342 R CA -0.642 55.426 56.100 -0.053 0.000 0.944 342 R CB 0.844 31.108 30.300 -0.061 0.000 1.219 342 R HN -0.028 nan 8.270 nan 0.000 0.474 343 D N 2.555 122.992 120.400 0.061 0.000 2.545 343 D HA 0.104 4.744 4.640 -0.000 0.000 0.227 343 D C 0.174 176.501 176.300 0.046 0.000 1.150 343 D CA 0.300 54.363 54.000 0.104 0.000 1.046 343 D CB 0.289 41.138 40.800 0.082 0.000 1.098 343 D HN -0.013 nan 8.370 nan 0.000 0.502 344 R N 0.776 121.305 120.500 0.048 0.000 2.560 344 R HA 0.434 4.774 4.340 -0.000 0.000 0.270 344 R C 0.607 176.923 176.300 0.027 0.000 1.074 344 R CA -0.674 55.441 56.100 0.025 0.000 1.140 344 R CB 1.402 31.718 30.300 0.026 0.000 1.073 344 R HN 0.172 nan 8.270 nan 0.000 0.527 345 L N 0.477 121.713 121.223 0.022 0.000 2.456 345 L HA 0.343 4.683 4.340 -0.000 0.000 0.257 345 L C 0.673 177.555 176.870 0.020 0.000 1.162 345 L CA -0.243 54.612 54.840 0.024 0.000 0.808 345 L CB 1.068 43.143 42.059 0.027 0.000 1.136 345 L HN 0.587 nan 8.230 nan 0.000 0.466 358 V N -1.558 118.352 119.914 -0.007 0.000 5.806 358 V HA 0.890 5.009 4.120 -0.000 0.000 0.274 358 V C 1.342 177.436 176.094 0.000 0.000 1.486 358 V CA 1.076 63.363 62.300 -0.022 0.000 0.635 358 V CB 0.220 32.021 31.823 -0.037 0.000 1.369 358 V HN 2.171 nan 8.190 nan 0.000 0.377 359 A N 0.643 123.457 122.820 -0.010 0.000 3.019 359 A HA 0.353 4.673 4.320 -0.000 0.000 0.202 359 A C 0.274 177.791 177.584 -0.111 0.000 0.924 359 A CA 0.004 51.971 52.037 -0.116 0.000 1.156 359 A CB -0.678 18.257 19.000 -0.108 0.000 1.265 359 A HN 0.954 nan 8.150 nan 0.000 0.526 360 N N 0.479 119.189 118.700 0.017 0.000 2.167 360 N HA -0.076 4.664 4.740 -0.000 0.000 0.258 360 N C 0.617 176.214 175.510 0.145 0.000 1.241 360 N CA 0.816 53.916 53.050 0.085 0.000 0.829 360 N CB 0.483 39.030 38.487 0.099 0.000 1.072 360 N HN 0.517 nan 8.380 nan 0.000 0.466 361 L N 3.179 124.468 121.223 0.110 0.000 2.467 361 L HA 0.190 4.530 4.340 -0.000 0.000 0.213 361 L C 1.640 178.569 176.870 0.098 0.000 1.053 361 L CA 0.630 55.542 54.840 0.119 0.000 0.847 361 L CB -0.382 41.729 42.059 0.087 0.000 1.075 361 L HN 0.500 nan 8.230 nan 0.000 0.479 362 D N 0.559 121.002 120.400 0.070 0.000 2.106 362 D HA -0.207 4.433 4.640 -0.000 0.000 0.191 362 D C 1.592 177.917 176.300 0.042 0.000 0.997 362 D CA 1.548 55.577 54.000 0.048 0.000 0.834 362 D CB -0.212 40.609 40.800 0.037 0.000 0.956 362 D HN 0.363 nan 8.370 nan 0.000 0.448 363 N N 0.219 118.946 118.700 0.045 0.000 2.348 363 N HA -0.107 4.633 4.740 -0.000 0.000 0.185 363 N C 1.879 177.387 175.510 -0.004 0.000 1.019 363 N CA 0.394 53.455 53.050 0.018 0.000 0.880 363 N CB -0.075 38.422 38.487 0.017 0.000 0.965 363 N HN 0.187 nan 8.380 nan 0.000 0.437 364 V N 0.579 120.507 119.914 0.022 0.000 2.535 364 V HA 0.027 4.146 4.120 -0.000 0.000 0.246 364 V C 2.452 178.549 176.094 0.005 0.000 1.045 364 V CA 1.295 63.592 62.300 -0.006 0.000 1.058 364 V CB -0.928 30.932 31.823 0.061 0.000 0.689 364 V HN 0.204 nan 8.190 nan 0.000 0.461 365 A N 0.241 123.075 122.820 0.024 0.000 1.972 365 A HA -0.223 4.097 4.320 -0.000 0.000 0.219 365 A C 1.859 179.448 177.584 0.008 0.000 1.169 365 A CA 1.820 53.869 52.037 0.020 0.000 0.635 365 A CB -0.605 18.410 19.000 0.026 0.000 0.810 365 A HN 0.494 nan 8.150 nan 0.000 0.446 366 D N -0.238 120.163 120.400 0.001 0.000 2.351 366 D HA -0.065 4.575 4.640 -0.000 0.000 0.216 366 D C 1.616 177.907 176.300 -0.015 0.000 0.968 366 D CA 0.681 54.677 54.000 -0.006 0.000 0.899 366 D CB -0.102 40.694 40.800 -0.008 0.000 0.907 366 D HN 0.499 nan 8.370 nan 0.000 0.514 367 L N 0.021 121.231 121.223 -0.022 0.000 2.298 367 L HA 0.054 4.394 4.340 -0.000 0.000 0.209 367 L C 1.049 177.907 176.870 -0.021 0.000 1.084 367 L CA 0.072 54.893 54.840 -0.032 0.000 0.816 367 L CB 0.064 42.092 42.059 -0.051 0.000 0.967 367 L HN -0.086 nan 8.230 nan 0.000 0.460 368 V N -2.693 117.217 119.914 -0.006 0.000 2.953 368 V HA 0.197 4.317 4.120 -0.000 0.000 0.304 368 V C 0.623 176.719 176.094 0.004 0.000 1.073 368 V CA -0.482 61.820 62.300 0.004 0.000 1.064 368 V CB 1.557 33.393 31.823 0.022 0.000 1.047 368 V HN 0.163 nan 8.190 nan 0.000 0.478 369 K N -0.104 120.301 120.400 0.007 0.000 2.344 369 K HA 0.190 4.510 4.320 -0.000 0.000 0.200 369 K C 0.523 177.134 176.600 0.018 0.000 1.132 369 K CA 0.133 56.425 56.287 0.008 0.000 0.935 369 K CB -0.006 32.494 32.500 -0.000 0.000 1.089 369 K HN 0.870 nan 8.250 nan 0.000 0.496 370 D N 1.385 121.804 120.400 0.031 0.000 2.571 370 D HA -0.106 4.534 4.640 -0.000 0.000 0.231 370 D C 0.498 176.813 176.300 0.025 0.000 1.133 370 D CA 0.733 54.753 54.000 0.034 0.000 0.862 370 D CB 1.145 41.973 40.800 0.046 0.000 1.179 370 D HN 0.025 nan 8.370 nan 0.000 0.474 371 E N 1.998 122.210 120.200 0.021 0.000 2.251 371 E HA -0.008 4.342 4.350 -0.000 0.000 0.194 371 E C 1.755 178.365 176.600 0.016 0.000 0.964 371 E CA 0.022 56.432 56.400 0.017 0.000 0.868 371 E CB -0.057 29.651 29.700 0.015 0.000 0.828 371 E HN 0.325 nan 8.360 nan 0.000 0.481 372 V N 0.431 120.355 119.914 0.016 0.000 2.380 372 V HA -0.238 3.882 4.120 -0.000 0.000 0.251 372 V C 2.011 178.114 176.094 0.014 0.000 1.063 372 V CA 1.752 64.060 62.300 0.014 0.000 1.055 372 V CB -0.183 31.646 31.823 0.011 0.000 0.657 372 V HN 0.312 nan 8.190 nan 0.000 0.455 373 L N 0.272 121.506 121.223 0.018 0.000 2.068 373 L HA -0.061 4.279 4.340 -0.000 0.000 0.204 373 L C 2.513 179.396 176.870 0.021 0.000 1.076 373 L CA 2.473 57.326 54.840 0.021 0.000 0.753 373 L CB -0.816 41.264 42.059 0.034 0.000 0.910 373 L HN 0.318 nan 8.230 nan 0.000 0.439 374 K N -0.955 119.458 120.400 0.022 0.000 2.218 374 K HA -0.199 4.121 4.320 -0.000 0.000 0.205 374 K C 1.359 177.971 176.600 0.020 0.000 1.046 374 K CA 1.497 57.796 56.287 0.021 0.000 0.933 374 K CB 0.099 32.610 32.500 0.018 0.000 0.728 374 K HN 0.426 nan 8.250 nan 0.000 0.454 375 Q N -0.168 119.642 119.800 0.017 0.000 2.247 375 Q HA -0.011 4.329 4.340 -0.000 0.000 0.204 375 Q C 0.495 176.504 176.000 0.014 0.000 0.872 375 Q CA 0.358 56.171 55.803 0.016 0.000 0.951 375 Q CB 0.929 29.676 28.738 0.015 0.000 1.099 375 Q HN 0.611 nan 8.270 nan 0.000 0.501 376 E N -0.210 119.997 120.200 0.011 0.000 2.460 376 E HA 0.135 4.484 4.350 -0.000 0.000 0.200 376 E C 1.644 178.248 176.600 0.007 0.000 1.011 376 E CA -0.065 56.337 56.400 0.005 0.000 0.912 376 E CB 0.202 29.897 29.700 -0.008 0.000 0.953 376 E HN 0.193 nan 8.360 nan 0.000 0.494 377 I N 0.921 121.502 120.570 0.017 0.000 2.235 377 I HA -0.183 3.987 4.170 -0.000 0.000 0.241 377 I C 2.060 178.199 176.117 0.037 0.000 1.085 377 I CA 0.907 62.225 61.300 0.031 0.000 1.378 377 I CB 0.011 38.035 38.000 0.040 0.000 1.076 377 I HN 0.068 nan 8.210 nan 0.000 0.415 378 L N 0.711 121.953 121.223 0.032 0.000 2.551 378 L HA -0.095 4.245 4.340 -0.000 0.000 0.228 378 L C 2.617 179.506 176.870 0.030 0.000 1.153 378 L CA 0.890 55.750 54.840 0.033 0.000 0.851 378 L CB -0.390 41.686 42.059 0.029 0.000 0.959 378 L HN 0.297 nan 8.230 nan 0.000 0.451 379 S N 0.547 116.263 115.700 0.026 0.000 2.355 379 S HA -0.083 4.387 4.470 -0.000 0.000 0.222 379 S C 1.008 175.626 174.600 0.029 0.000 1.031 379 S CA 0.265 58.479 58.200 0.024 0.000 0.993 379 S CB -0.769 62.441 63.200 0.018 0.000 0.859 379 S HN 0.268 nan 8.310 nan 0.000 0.453 380 I N 2.554 123.144 120.570 0.034 0.000 2.533 380 I HA 0.419 4.589 4.170 -0.000 0.000 0.284 380 I C -0.282 175.867 176.117 0.054 0.000 1.109 380 I CA -1.095 60.230 61.300 0.042 0.000 1.412 380 I CB -0.196 37.831 38.000 0.045 0.000 1.396 380 I HN 0.242 nan 8.210 nan 0.000 0.543 381 D N 4.541 124.975 120.400 0.056 0.000 2.277 381 D HA 0.226 4.866 4.640 -0.000 0.000 0.249 381 D C 0.243 176.599 176.300 0.093 0.000 1.134 381 D CA -0.590 53.448 54.000 0.064 0.000 0.863 381 D CB 0.722 41.553 40.800 0.053 0.000 1.143 381 D HN 0.729 nan 8.370 nan 0.000 0.458 382 N N 1.430 120.194 118.700 0.107 0.000 2.143 382 N HA -0.093 4.647 4.740 -0.000 0.000 0.222 382 N C 0.679 176.278 175.510 0.147 0.000 1.264 382 N CA -0.134 53.018 53.050 0.171 0.000 0.897 382 N CB 0.019 38.617 38.487 0.186 0.000 1.092 382 N HN 0.392 nan 8.380 nan 0.000 0.516 383 S N -0.061 115.688 115.700 0.081 0.000 2.720 383 S HA 0.021 4.491 4.470 -0.000 0.000 0.222 383 S C 0.628 175.251 174.600 0.038 0.000 0.958 383 S CA -0.260 57.962 58.200 0.037 0.000 0.943 383 S CB -0.302 62.912 63.200 0.023 0.000 0.779 383 S HN 0.103 nan 8.310 nan 0.000 0.526 384 K N 2.397 122.850 120.400 0.089 0.000 2.339 384 K HA 0.143 4.463 4.320 -0.000 0.000 0.286 384 K C -0.114 176.552 176.600 0.110 0.000 1.050 384 K CA -0.035 56.315 56.287 0.105 0.000 0.956 384 K CB 0.558 33.141 32.500 0.139 0.000 0.990 384 K HN 0.379 nan 8.250 nan 0.000 0.475 385 E N 3.189 123.412 120.200 0.038 0.000 2.383 385 E HA 0.117 4.467 4.350 -0.000 0.000 0.264 385 E C -0.524 176.114 176.600 0.064 0.000 1.050 385 E CA 0.064 56.426 56.400 -0.062 0.000 0.896 385 E CB 0.512 30.186 29.700 -0.042 0.000 0.982 385 E HN 0.462 nan 8.360 nan 0.000 0.424 386 Y N -2.609 117.709 120.300 0.030 0.000 2.565 386 Y HA 0.569 5.119 4.550 -0.000 0.000 0.330 386 Y C -1.096 174.824 175.900 0.033 0.000 1.150 386 Y CA -1.510 56.607 58.100 0.028 0.000 1.055 386 Y CB 0.460 38.937 38.460 0.030 0.000 1.337 386 Y HN 0.405 nan 8.280 nan 0.000 0.457 387 A N 2.053 125.007 122.820 0.223 0.000 2.404 387 A HA 0.528 4.848 4.320 -0.000 0.000 0.273 387 A C -0.671 177.058 177.584 0.242 0.000 1.144 387 A CA -0.413 51.718 52.037 0.158 0.000 0.806 387 A CB 0.338 19.400 19.000 0.103 0.000 1.080 387 A HN 1.277 nan 8.150 nan 0.000 0.509 388 V N 6.654 126.703 119.914 0.224 0.000 2.350 388 V HA 0.506 4.626 4.120 -0.000 0.000 0.276 388 V C -1.849 174.337 176.094 0.153 0.000 1.028 388 V CA -1.734 60.714 62.300 0.246 0.000 0.860 388 V CB 1.010 33.005 31.823 0.286 0.000 0.990 388 V HN 0.931 nan 8.190 nan 0.000 0.453 389 P HA 0.386 nan 4.420 nan 0.000 0.276 389 P C -0.497 176.890 177.300 0.145 0.000 1.261 389 P CA -0.539 62.650 63.100 0.148 0.000 0.800 389 P CB 0.813 32.634 31.700 0.202 0.000 1.066 390 R N -0.471 120.114 120.500 0.142 0.000 2.649 390 R HA 0.385 4.725 4.340 -0.000 0.000 0.270 390 R C 1.533 177.961 176.300 0.214 0.000 1.105 390 R CA -0.199 55.986 56.100 0.141 0.000 1.193 390 R CB -0.002 30.369 30.300 0.118 0.000 1.120 390 R HN 0.517 nan 8.270 nan 0.000 0.561 391 A N 1.721 124.666 122.820 0.207 0.000 1.877 391 A HA -0.165 4.155 4.320 -0.000 0.000 0.216 391 A C 2.094 179.910 177.584 0.386 0.000 1.186 391 A CA 1.431 53.647 52.037 0.298 0.000 0.620 391 A CB -0.660 18.473 19.000 0.222 0.000 0.822 391 A HN 0.688 nan 8.150 nan 0.000 0.443 392 I N 0.092 120.827 120.570 0.276 0.000 2.099 392 I HA -0.263 3.907 4.170 -0.000 0.000 0.239 392 I C 2.727 178.977 176.117 0.221 0.000 1.066 392 I CA 1.735 63.178 61.300 0.239 0.000 1.324 392 I CB -0.660 37.451 38.000 0.185 0.000 1.037 392 I HN 0.267 nan 8.210 nan 0.000 0.401 393 S N 1.022 116.838 115.700 0.193 0.000 2.383 393 S HA -0.224 4.246 4.470 -0.000 0.000 0.229 393 S C 1.851 176.554 174.600 0.171 0.000 1.030 393 S CA 1.542 59.829 58.200 0.145 0.000 1.002 393 S CB -0.713 62.554 63.200 0.111 0.000 0.829 393 S HN 0.423 nan 8.310 nan 0.000 0.467 394 F N 2.856 122.873 119.950 0.112 0.000 2.046 394 F HA -0.206 4.321 4.527 -0.000 0.000 0.297 394 F C 2.478 178.354 175.800 0.126 0.000 1.123 394 F CA 1.963 60.036 58.000 0.122 0.000 1.199 394 F CB -1.212 37.903 39.000 0.192 0.000 0.972 394 F HN 0.093 nan 8.300 nan 0.000 0.474 395 T N 0.117 114.796 114.554 0.209 0.000 2.665 395 T HA -0.187 4.163 4.350 -0.000 0.000 0.268 395 T C 2.080 176.839 174.700 0.099 0.000 1.035 395 T CA 1.652 63.824 62.100 0.120 0.000 1.151 395 T CB -1.309 67.785 68.868 0.378 0.000 0.862 395 T HN 0.512 nan 8.240 nan 0.000 0.438 396 G N 0.928 109.787 108.800 0.100 0.000 2.404 396 G HA2 0.015 3.975 3.960 -0.000 0.000 0.215 396 G HA3 0.015 3.975 3.960 -0.000 0.000 0.215 396 G C 1.882 176.801 174.900 0.033 0.000 1.174 396 G CA 0.850 45.996 45.100 0.076 0.000 0.780 396 G HN 0.582 nan 8.290 nan 0.000 0.537 397 A N 0.517 123.319 122.820 -0.030 0.000 1.948 397 A HA -0.076 4.244 4.320 -0.000 0.000 0.220 397 A C 2.445 179.949 177.584 -0.134 0.000 1.177 397 A CA 2.037 54.034 52.037 -0.067 0.000 0.636 397 A CB -0.347 18.604 19.000 -0.083 0.000 0.815 397 A HN 0.337 nan 8.150 nan 0.000 0.449 398 M N -2.313 117.134 119.600 -0.256 0.000 2.123 398 M HA -0.090 4.390 4.480 -0.000 0.000 0.263 398 M C 2.209 178.366 176.300 -0.238 0.000 1.069 398 M CA 1.429 56.509 55.300 -0.367 0.000 1.133 398 M CB -1.064 31.146 32.600 -0.650 0.000 1.356 398 M HN 0.552 nan 8.290 nan 0.000 0.415 399 Y N 1.025 121.213 120.300 -0.188 0.000 2.097 399 Y HA -0.246 4.304 4.550 -0.000 0.000 0.282 399 Y C 2.663 178.527 175.900 -0.059 0.000 1.152 399 Y CA 2.161 60.210 58.100 -0.085 0.000 1.136 399 Y CB -1.109 37.324 38.460 -0.044 0.000 0.975 399 Y HN 0.278 nan 8.280 nan 0.000 0.498 400 T N 0.303 114.917 114.554 0.100 0.000 2.802 400 T HA -0.212 4.138 4.350 -0.000 0.000 0.269 400 T C 1.551 176.226 174.700 -0.041 0.000 1.062 400 T CA 1.388 63.497 62.100 0.015 0.000 1.133 400 T CB -0.466 68.403 68.868 0.002 0.000 0.852 400 T HN 0.222 nan 8.240 nan 0.000 0.485 401 L N 0.065 121.240 121.223 -0.081 0.000 2.611 401 L HA 0.321 4.661 4.340 -0.000 0.000 0.229 401 L C 1.636 178.414 176.870 -0.154 0.000 1.137 401 L CA 0.117 54.884 54.840 -0.123 0.000 0.901 401 L CB -0.090 41.875 42.059 -0.157 0.000 1.098 401 L HN 0.405 nan 8.230 nan 0.000 0.456 402 G N 0.628 109.360 108.800 -0.113 0.000 2.160 402 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.244 402 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.244 402 G C 0.248 175.027 174.900 -0.203 0.000 1.022 402 G CA 0.147 45.190 45.100 -0.096 0.000 0.741 402 G HN 0.328 nan 8.290 nan 0.000 0.508 403 M N -0.212 119.172 119.600 -0.360 0.000 3.053 403 M HA 0.217 4.697 4.480 -0.000 0.000 0.293 403 M C -2.816 173.178 176.300 -0.510 0.000 1.470 403 M CA -1.588 53.290 55.300 -0.704 0.000 0.582 403 M CB 1.485 33.445 32.600 -1.067 0.000 1.435 403 M HN -0.164 nan 8.290 nan 0.000 0.451 404 P HA -0.093 nan 4.420 nan 0.000 0.255 404 P C -1.758 175.295 177.300 -0.412 0.000 1.151 404 P CA -0.145 62.425 63.100 -0.884 0.000 0.767 404 P CB -0.096 31.278 31.700 -0.544 0.000 0.736 405 P HA -0.176 nan 4.420 nan 0.000 0.221 405 P C 1.103 178.258 177.300 -0.242 0.000 1.145 405 P CA 1.315 64.069 63.100 -0.577 0.000 0.795 405 P CB 0.181 31.068 31.700 -1.355 0.000 0.775 406 E N 0.139 120.328 120.200 -0.019 0.000 2.065 406 E HA -0.197 4.153 4.350 -0.000 0.000 0.201 406 E C 2.001 178.785 176.600 0.306 0.000 1.016 406 E CA 1.309 57.942 56.400 0.388 0.000 0.818 406 E CB -1.267 28.642 29.700 0.348 0.000 0.749 406 E HN 0.171 nan 8.360 nan 0.000 0.453 407 L N -0.052 121.292 121.223 0.201 0.000 2.141 407 L HA -0.035 4.305 4.340 -0.000 0.000 0.209 407 L C 1.314 178.263 176.870 0.131 0.000 1.094 407 L CA 0.760 55.658 54.840 0.098 0.000 0.763 407 L CB -0.390 41.603 42.059 -0.111 0.000 0.908 407 L HN 0.233 nan 8.230 nan 0.000 0.437 408 M N -0.622 119.178 119.600 0.333 0.000 2.260 408 M HA 0.168 4.648 4.480 -0.000 0.000 0.348 408 M C 1.517 178.058 176.300 0.402 0.000 1.342 408 M CA 1.202 56.730 55.300 0.379 0.000 1.040 408 M CB 0.186 33.004 32.600 0.363 0.000 1.810 408 M HN 0.353 nan 8.290 nan 0.000 0.453 409 G N 4.202 113.183 108.800 0.302 0.000 2.855 409 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.231 409 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.231 409 G C 0.745 175.787 174.900 0.236 0.000 1.242 409 G CA 0.635 45.943 45.100 0.347 0.000 0.789 409 G HN 0.646 nan 8.290 nan 0.000 0.517 410 M N 1.789 121.535 119.600 0.242 0.000 2.446 410 M HA 0.058 4.538 4.480 -0.000 0.000 0.263 410 M C 2.508 178.826 176.300 0.030 0.000 1.066 410 M CA 1.685 57.067 55.300 0.137 0.000 1.087 410 M CB -1.712 30.990 32.600 0.169 0.000 1.406 410 M HN 0.478 nan 8.290 nan 0.000 0.459 411 G N 0.239 109.056 108.800 0.028 0.000 2.404 411 G HA2 -0.159 3.800 3.960 -0.000 0.000 0.213 411 G HA3 -0.159 3.800 3.960 -0.000 0.000 0.213 411 G C 1.861 176.743 174.900 -0.030 0.000 1.189 411 G CA 0.163 45.283 45.100 0.033 0.000 0.796 411 G HN 0.372 nan 8.290 nan 0.000 0.532 412 R N 0.555 120.998 120.500 -0.095 0.000 2.115 412 R HA 0.183 4.523 4.340 -0.000 0.000 0.226 412 R C 2.943 178.825 176.300 -0.696 0.000 1.100 412 R CA 0.897 56.797 56.100 -0.333 0.000 0.980 412 R CB -0.284 29.866 30.300 -0.250 0.000 0.875 412 R HN 0.328 nan 8.270 nan 0.000 0.445 413 A N 1.319 123.708 122.820 -0.719 0.000 1.908 413 A HA -0.175 4.145 4.320 -0.000 0.000 0.218 413 A C 2.118 179.549 177.584 -0.254 0.000 1.181 413 A CA 1.301 53.084 52.037 -0.423 0.000 0.627 413 A CB -0.610 18.354 19.000 -0.060 0.000 0.818 413 A HN 0.202 nan 8.150 nan 0.000 0.445 414 L N -0.632 120.437 121.223 -0.256 0.000 2.046 414 L HA -0.232 4.108 4.340 -0.000 0.000 0.208 414 L C 2.544 179.228 176.870 -0.311 0.000 1.077 414 L CA 1.775 56.475 54.840 -0.233 0.000 0.747 414 L CB -0.582 41.373 42.059 -0.174 0.000 0.896 414 L HN 0.595 nan 8.230 nan 0.000 0.432 415 N N -0.025 118.340 118.700 -0.559 0.000 2.166 415 N HA -0.247 4.493 4.740 -0.000 0.000 0.186 415 N C 1.850 177.164 175.510 -0.327 0.000 1.019 415 N CA 1.313 53.986 53.050 -0.627 0.000 0.856 415 N CB 0.013 37.727 38.487 -1.288 0.000 0.993 415 N HN 0.243 nan 8.380 nan 0.000 0.426 416 E N -0.237 119.802 120.200 -0.270 0.000 2.106 416 E HA -0.110 4.240 4.350 -0.000 0.000 0.192 416 E C 1.806 178.349 176.600 -0.095 0.000 0.984 416 E CA 0.847 57.177 56.400 -0.116 0.000 0.806 416 E CB -0.043 29.666 29.700 0.015 0.000 0.750 416 E HN 0.494 nan 8.360 nan 0.000 0.458 417 I N 0.602 121.124 120.570 -0.079 0.000 2.546 417 I HA -0.190 3.980 4.170 -0.000 0.000 0.255 417 I C 2.573 178.695 176.117 0.009 0.000 1.163 417 I CA 0.693 61.995 61.300 0.003 0.000 1.457 417 I CB -0.043 37.963 38.000 0.010 0.000 1.092 417 I HN -0.006 nan 8.210 nan 0.000 0.434 418 K N 0.339 120.707 120.400 -0.053 0.000 2.103 418 K HA -0.127 4.193 4.320 -0.000 0.000 0.204 418 K C 2.050 178.632 176.600 -0.030 0.000 1.052 418 K CA 1.570 57.842 56.287 -0.025 0.000 0.945 418 K CB 0.017 32.485 32.500 -0.055 0.000 0.722 418 K HN 0.228 nan 8.250 nan 0.000 0.443 419 T N 1.286 115.797 114.554 -0.071 0.000 2.643 419 T HA -0.130 4.220 4.350 -0.000 0.000 0.264 419 T C 1.728 176.373 174.700 -0.091 0.000 1.045 419 T CA 1.360 63.420 62.100 -0.066 0.000 1.155 419 T CB -0.065 68.762 68.868 -0.069 0.000 0.863 419 T HN 0.260 nan 8.240 nan 0.000 0.420 420 K N -0.090 120.193 120.400 -0.194 0.000 2.026 420 K HA -0.061 4.259 4.320 -0.000 0.000 0.208 420 K C 1.221 177.647 176.600 -0.289 0.000 1.048 420 K CA 1.334 57.393 56.287 -0.381 0.000 0.929 420 K CB -0.078 31.948 32.500 -0.789 0.000 0.713 420 K HN 0.416 nan 8.250 nan 0.000 0.439 421 Y N -0.245 120.096 120.300 0.069 0.000 2.612 421 Y HA 0.280 4.830 4.550 -0.000 0.000 0.250 421 Y C 0.839 176.774 175.900 0.059 0.000 1.175 421 Y CA -0.274 57.873 58.100 0.078 0.000 1.205 421 Y CB 0.348 38.892 38.460 0.139 0.000 1.201 421 Y HN 0.186 nan 8.280 nan 0.000 0.532 422 G N 0.948 109.830 108.800 0.138 0.000 2.740 422 G HA2 -0.408 3.552 3.960 -0.000 0.000 0.250 422 G HA3 -0.408 3.552 3.960 -0.000 0.000 0.250 422 G C 0.780 175.732 174.900 0.087 0.000 1.358 422 G CA 0.611 45.764 45.100 0.088 0.000 0.897 422 G HN 0.292 nan 8.290 nan 0.000 0.567 423 Q N -0.181 119.654 119.800 0.058 0.000 2.084 423 Q HA -0.102 4.237 4.340 -0.000 0.000 0.202 423 Q C 2.452 178.486 176.000 0.056 0.000 0.978 423 Q CA 2.604 58.433 55.803 0.044 0.000 0.844 423 Q CB -0.323 28.433 28.738 0.030 0.000 0.898 423 Q HN 0.804 nan 8.270 nan 0.000 0.426 424 E N -0.859 119.381 120.200 0.066 0.000 2.338 424 E HA -0.103 4.247 4.350 -0.000 0.000 0.197 424 E C 1.468 178.121 176.600 0.088 0.000 1.007 424 E CA 1.234 57.672 56.400 0.064 0.000 0.849 424 E CB -0.356 29.376 29.700 0.053 0.000 0.774 424 E HN 0.465 nan 8.360 nan 0.000 0.506 425 G N 1.074 109.954 108.800 0.133 0.000 2.494 425 G HA2 -0.049 3.911 3.960 -0.000 0.000 0.216 425 G HA3 -0.049 3.911 3.960 -0.000 0.000 0.216 425 G C 1.586 176.587 174.900 0.167 0.000 1.140 425 G CA 0.180 45.398 45.100 0.197 0.000 0.801 425 G HN 0.179 nan 8.290 nan 0.000 0.536 426 I N 2.050 122.673 120.570 0.090 0.000 2.202 426 I HA -0.081 4.089 4.170 -0.000 0.000 0.242 426 I C 2.082 178.209 176.117 0.017 0.000 1.091 426 I CA 1.052 62.360 61.300 0.013 0.000 1.368 426 I CB -0.798 37.200 38.000 -0.003 0.000 1.058 426 I HN 0.100 nan 8.210 nan 0.000 0.410 427 D N 0.848 121.271 120.400 0.038 0.000 2.144 427 D HA -0.206 4.434 4.640 -0.000 0.000 0.199 427 D C 2.107 178.442 176.300 0.059 0.000 0.984 427 D CA 1.123 55.145 54.000 0.037 0.000 0.834 427 D CB -0.083 40.739 40.800 0.035 0.000 0.955 427 D HN 0.154 nan 8.370 nan 0.000 0.465 428 K N 0.874 121.328 120.400 0.089 0.000 2.026 428 K HA -0.125 4.195 4.320 -0.000 0.000 0.208 428 K C 2.016 178.716 176.600 0.167 0.000 1.048 428 K CA 0.511 56.873 56.287 0.126 0.000 0.929 428 K CB -0.675 31.912 32.500 0.145 0.000 0.713 428 K HN 0.051 nan 8.250 nan 0.000 0.439 429 L N 0.646 121.959 121.223 0.149 0.000 1.971 429 L HA -0.140 4.200 4.340 -0.000 0.000 0.215 429 L C 1.994 178.923 176.870 0.098 0.000 1.072 429 L CA 1.759 56.654 54.840 0.092 0.000 0.758 429 L CB -0.763 41.206 42.059 -0.150 0.000 0.889 429 L HN 0.276 nan 8.230 nan 0.000 0.433 430 L N -0.402 120.844 121.223 0.038 0.000 2.189 430 L HA -0.252 4.088 4.340 -0.000 0.000 0.214 430 L C 2.624 179.536 176.870 0.070 0.000 1.097 430 L CA 1.787 56.644 54.840 0.027 0.000 0.764 430 L CB -0.478 41.580 42.059 -0.000 0.000 0.900 430 L HN 0.499 nan 8.230 nan 0.000 0.436 431 E N 0.074 120.326 120.200 0.086 0.000 2.028 431 E HA -0.191 4.159 4.350 -0.000 0.000 0.190 431 E C 2.332 179.010 176.600 0.131 0.000 0.984 431 E CA 1.051 57.503 56.400 0.087 0.000 0.800 431 E CB -0.029 29.716 29.700 0.076 0.000 0.758 431 E HN 0.480 nan 8.360 nan 0.000 0.448 432 I N 0.085 120.774 120.570 0.198 0.000 2.286 432 I HA -0.229 3.941 4.170 -0.000 0.000 0.248 432 I C 0.908 177.174 176.117 0.249 0.000 1.115 432 I CA 0.774 62.246 61.300 0.288 0.000 1.392 432 I CB 0.106 38.295 38.000 0.315 0.000 1.065 432 I HN 0.159 nan 8.210 nan 0.000 0.418 433 Y N 2.026 122.361 120.300 0.057 0.000 2.747 433 Y HA 0.335 4.885 4.550 -0.000 0.000 0.362 433 Y C -2.081 173.811 175.900 -0.013 0.000 1.026 433 Y CA -3.889 54.211 58.100 0.000 0.000 1.135 433 Y CB 0.044 38.507 38.460 0.006 0.000 1.175 433 Y HN -0.057 nan 8.280 nan 0.000 0.643 434 P HA -0.260 nan 4.420 nan 0.000 0.214 434 P C 1.875 179.230 177.300 0.090 0.000 1.169 434 P CA 1.841 65.000 63.100 0.099 0.000 0.908 434 P CB 0.331 32.061 31.700 0.050 0.000 0.791 435 I N -1.300 119.361 120.570 0.153 0.000 3.334 435 I HA -0.131 4.039 4.170 -0.000 0.000 0.282 435 I C 1.733 177.892 176.117 0.070 0.000 1.313 435 I CA 0.299 61.673 61.300 0.124 0.000 1.396 435 I CB -0.267 37.816 38.000 0.139 0.000 1.054 435 I HN -0.141 nan 8.210 nan 0.000 0.495 436 L N 0.870 121.966 121.223 -0.212 0.000 2.042 436 L HA -0.241 4.099 4.340 -0.000 0.000 0.210 436 L C 2.515 179.254 176.870 -0.219 0.000 1.076 436 L CA 1.841 56.292 54.840 -0.647 0.000 0.749 436 L CB -0.639 40.736 42.059 -1.140 0.000 0.893 436 L HN 0.197 nan 8.230 nan 0.000 0.432 437 R N -0.360 120.067 120.500 -0.121 0.000 2.097 437 R HA -0.267 4.073 4.340 -0.000 0.000 0.236 437 R C 2.431 178.754 176.300 0.039 0.000 1.135 437 R CA 2.258 58.337 56.100 -0.035 0.000 0.934 437 R CB -0.417 29.872 30.300 -0.018 0.000 0.846 437 R HN 0.337 nan 8.270 nan 0.000 0.431 438 K N 0.369 120.807 120.400 0.063 0.000 2.097 438 K HA -0.156 4.164 4.320 -0.000 0.000 0.206 438 K C 1.568 178.349 176.600 0.302 0.000 1.049 438 K CA 1.860 58.228 56.287 0.136 0.000 0.933 438 K CB -0.007 32.521 32.500 0.046 0.000 0.717 438 K HN 0.064 nan 8.250 nan 0.000 0.442 439 D N 0.464 121.044 120.400 0.299 0.000 2.084 439 D HA -0.145 4.495 4.640 -0.000 0.000 0.194 439 D C 1.822 178.329 176.300 0.344 0.000 0.990 439 D CA 1.197 55.459 54.000 0.436 0.000 0.826 439 D CB -0.088 40.925 40.800 0.356 0.000 0.971 439 D HN 0.186 nan 8.370 nan 0.000 0.453 440 L N 0.398 121.749 121.223 0.213 0.000 2.156 440 L HA -0.046 4.294 4.340 -0.000 0.000 0.208 440 L C 2.439 179.424 176.870 0.192 0.000 1.095 440 L CA 0.741 55.691 54.840 0.183 0.000 0.770 440 L CB -0.325 41.789 42.059 0.091 0.000 0.914 440 L HN -0.044 nan 8.230 nan 0.000 0.439 441 A N 0.361 123.294 122.820 0.188 0.000 1.851 441 A HA -0.298 4.022 4.320 -0.000 0.000 0.216 441 A C 2.181 179.884 177.584 0.199 0.000 1.195 441 A CA 1.912 54.044 52.037 0.159 0.000 0.622 441 A CB -0.963 18.128 19.000 0.151 0.000 0.831 441 A HN 0.380 nan 8.150 nan 0.000 0.444 442 F N 0.765 120.820 119.950 0.175 0.000 2.026 442 F HA -0.116 4.411 4.527 -0.000 0.000 0.296 442 F C 2.628 178.556 175.800 0.213 0.000 1.133 442 F CA 1.943 60.061 58.000 0.196 0.000 1.188 442 F CB -0.561 38.596 39.000 0.261 0.000 0.968 442 F HN 0.253 nan 8.300 nan 0.000 0.476 443 A N 0.384 123.559 122.820 0.593 0.000 1.940 443 A HA -0.140 4.180 4.320 -0.000 0.000 0.219 443 A C 2.301 180.056 177.584 0.285 0.000 1.176 443 A CA 1.842 54.209 52.037 0.551 0.000 0.631 443 A CB -1.646 17.626 19.000 0.453 0.000 0.814 443 A HN 0.596 nan 8.150 nan 0.000 0.446 444 A N -0.363 122.562 122.820 0.176 0.000 2.019 444 A HA -0.134 4.186 4.320 -0.000 0.000 0.219 444 A C 2.115 179.757 177.584 0.097 0.000 1.164 444 A CA 1.417 53.549 52.037 0.159 0.000 0.644 444 A CB -0.428 18.664 19.000 0.154 0.000 0.805 444 A HN 0.560 nan 8.150 nan 0.000 0.449 445 R N -1.736 118.659 120.500 -0.176 0.000 2.193 445 R HA -0.079 4.261 4.340 -0.000 0.000 0.229 445 R C 0.387 176.475 176.300 -0.355 0.000 1.110 445 R CA 1.267 57.114 56.100 -0.421 0.000 0.988 445 R CB -0.246 29.512 30.300 -0.902 0.000 0.871 445 R HN 0.587 nan 8.270 nan 0.000 0.458 446 F N -0.603 119.367 119.950 0.033 0.000 2.653 446 F HA 0.369 4.896 4.527 -0.000 0.000 0.304 446 F C 0.617 176.436 175.800 0.031 0.000 1.092 446 F CA -0.690 57.258 58.000 -0.087 0.000 1.279 446 F CB 0.356 39.221 39.000 -0.224 0.000 1.044 446 F HN -0.137 nan 8.300 nan 0.000 0.564 447 A N 0.878 123.863 122.820 0.275 0.000 2.301 447 A HA 0.546 4.866 4.320 -0.000 0.000 0.312 447 A C -0.309 177.412 177.584 0.228 0.000 1.182 447 A CA -0.395 51.769 52.037 0.212 0.000 0.826 447 A CB 0.529 19.657 19.000 0.214 0.000 1.134 447 A HN 0.198 nan 8.150 nan 0.000 0.501 448 N N 1.376 120.145 118.700 0.116 0.000 2.249 448 N HA 0.343 5.083 4.740 -0.000 0.000 0.296 448 N C 0.980 176.504 175.510 0.024 0.000 1.051 448 N CA 0.281 53.398 53.050 0.111 0.000 0.815 448 N CB 2.159 40.711 38.487 0.109 0.000 1.487 448 N HN 0.570 nan 8.380 nan 0.000 0.475 449 G N 1.931 110.727 108.800 -0.007 0.000 2.453 449 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.215 449 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.215 449 G C 1.063 175.956 174.900 -0.012 0.000 1.201 449 G CA 1.236 46.325 45.100 -0.018 0.000 0.784 449 G HN 0.611 nan 8.290 nan 0.000 0.545 450 G N 0.040 108.837 108.800 -0.005 0.000 2.712 450 G HA2 0.110 4.070 3.960 -0.000 0.000 0.212 450 G HA3 0.110 4.070 3.960 -0.000 0.000 0.212 450 G C 1.750 176.632 174.900 -0.031 0.000 1.142 450 G CA 1.152 46.242 45.100 -0.016 0.000 0.789 450 G HN 0.673 nan 8.290 nan 0.000 0.535 451 V N -0.090 119.802 119.914 -0.037 0.000 2.759 451 V HA -0.054 4.066 4.120 -0.000 0.000 0.256 451 V C 2.397 178.448 176.094 -0.073 0.000 1.080 451 V CA 2.036 64.300 62.300 -0.060 0.000 1.101 451 V CB -0.435 31.344 31.823 -0.074 0.000 0.698 451 V HN 0.374 nan 8.190 nan 0.000 0.477 452 S N -1.064 114.588 115.700 -0.079 0.000 2.577 452 S HA 0.193 4.663 4.470 -0.000 0.000 0.219 452 S C 0.840 175.399 174.600 -0.067 0.000 0.962 452 S CA -0.318 57.830 58.200 -0.088 0.000 0.921 452 S CB -0.448 62.674 63.200 -0.130 0.000 0.789 452 S HN 0.688 nan 8.310 nan 0.000 0.497 453 K N 1.582 121.950 120.400 -0.054 0.000 2.382 453 K HA 0.100 4.420 4.320 -0.000 0.000 0.275 453 K C 0.311 176.885 176.600 -0.042 0.000 1.009 453 K CA 0.008 56.269 56.287 -0.043 0.000 0.970 453 K CB 0.241 32.720 32.500 -0.034 0.000 0.934 453 K HN 0.039 nan 8.250 nan 0.000 0.479 454 K N 1.869 122.245 120.400 -0.039 0.000 3.407 454 K HA -0.192 4.128 4.320 -0.000 0.000 0.312 454 K C 0.015 176.588 176.600 -0.044 0.000 1.302 454 K CA 1.585 57.849 56.287 -0.039 0.000 0.931 454 K CB -1.350 31.129 32.500 -0.035 0.000 1.257 454 K HN 0.692 nan 8.250 nan 0.000 0.454 455 I N -1.311 119.231 120.570 -0.048 0.000 3.746 455 I HA 0.128 4.298 4.170 -0.000 0.000 0.262 455 I C 0.715 176.798 176.117 -0.056 0.000 1.153 455 I CA -0.584 60.687 61.300 -0.049 0.000 1.395 455 I CB 0.107 38.084 38.000 -0.038 0.000 1.589 455 I HN -0.110 nan 8.210 nan 0.000 0.441 456 I N 2.371 122.902 120.570 -0.065 0.000 2.638 456 I HA 0.015 4.185 4.170 -0.000 0.000 0.286 456 I C 0.092 176.173 176.117 -0.061 0.000 1.088 456 I CA 0.144 61.400 61.300 -0.075 0.000 1.397 456 I CB 0.201 38.142 38.000 -0.099 0.000 1.414 456 I HN 0.188 nan 8.210 nan 0.000 0.566 457 D N 4.818 125.182 120.400 -0.060 0.000 2.581 457 D HA -0.133 4.507 4.640 -0.000 0.000 0.238 457 D C 1.240 177.520 176.300 -0.035 0.000 1.145 457 D CA 0.467 54.440 54.000 -0.045 0.000 0.866 457 D CB 0.757 41.531 40.800 -0.044 0.000 1.151 457 D HN 0.336 nan 8.370 nan 0.000 0.500 458 E N 3.414 123.598 120.200 -0.027 0.000 2.097 458 E HA -0.214 4.136 4.350 -0.000 0.000 0.196 458 E C 1.502 178.096 176.600 -0.009 0.000 1.000 458 E CA 1.098 57.487 56.400 -0.019 0.000 0.804 458 E CB 0.110 29.800 29.700 -0.016 0.000 0.740 458 E HN 0.688 nan 8.360 nan 0.000 0.454 459 E N 0.022 120.219 120.200 -0.005 0.000 2.085 459 E HA -0.194 4.156 4.350 -0.000 0.000 0.194 459 E C 1.980 178.588 176.600 0.014 0.000 0.994 459 E CA 1.149 57.553 56.400 0.006 0.000 0.801 459 E CB -0.123 29.582 29.700 0.008 0.000 0.743 459 E HN 0.216 nan 8.360 nan 0.000 0.453 460 A N 1.361 124.184 122.820 0.003 0.000 1.929 460 A HA -0.151 4.169 4.320 -0.000 0.000 0.216 460 A C 2.104 179.703 177.584 0.025 0.000 1.176 460 A CA 1.143 53.185 52.037 0.009 0.000 0.628 460 A CB -0.358 18.627 19.000 -0.025 0.000 0.816 460 A HN 0.052 nan 8.150 nan 0.000 0.444 461 R N -0.846 119.656 120.500 0.004 0.000 2.081 461 R HA -0.141 4.199 4.340 -0.000 0.000 0.235 461 R C 2.252 178.584 176.300 0.054 0.000 1.131 461 R CA 1.480 57.588 56.100 0.013 0.000 0.960 461 R CB -0.177 30.112 30.300 -0.019 0.000 0.856 461 R HN 0.455 nan 8.270 nan 0.000 0.436 462 Q N 0.584 120.402 119.800 0.030 0.000 2.124 462 Q HA -0.186 4.154 4.340 -0.000 0.000 0.202 462 Q C 1.825 177.845 176.000 0.033 0.000 0.977 462 Q CA 1.639 57.456 55.803 0.022 0.000 0.850 462 Q CB -0.111 28.634 28.738 0.012 0.000 0.901 462 Q HN 0.530 nan 8.270 nan 0.000 0.429 463 E N -0.485 119.751 120.200 0.060 0.000 2.118 463 E HA -0.206 4.144 4.350 -0.000 0.000 0.195 463 E C 1.778 178.430 176.600 0.086 0.000 0.992 463 E CA 0.983 57.431 56.400 0.079 0.000 0.804 463 E CB -0.227 29.534 29.700 0.102 0.000 0.741 463 E HN 0.326 nan 8.360 nan 0.000 0.458 464 Y N 1.823 122.112 120.300 -0.018 0.000 2.200 464 Y HA -0.160 4.390 4.550 -0.000 0.000 0.290 464 Y C 1.938 177.797 175.900 -0.068 0.000 1.137 464 Y CA 1.476 59.554 58.100 -0.036 0.000 1.163 464 Y CB 0.161 38.584 38.460 -0.062 0.000 0.988 464 Y HN -0.172 nan 8.280 nan 0.000 0.518 465 K N 0.076 120.485 120.400 0.015 0.000 2.152 465 K HA -0.224 4.096 4.320 -0.000 0.000 0.206 465 K C 1.886 178.387 176.600 -0.164 0.000 1.048 465 K CA 1.864 58.094 56.287 -0.093 0.000 0.933 465 K CB -0.172 32.297 32.500 -0.051 0.000 0.721 465 K HN 0.529 nan 8.250 nan 0.000 0.447 466 E N 0.881 121.001 120.200 -0.133 0.000 2.015 466 E HA -0.176 4.174 4.350 -0.000 0.000 0.191 466 E C 1.757 178.246 176.600 -0.184 0.000 0.991 466 E CA 1.123 57.404 56.400 -0.198 0.000 0.802 466 E CB -0.060 29.596 29.700 -0.072 0.000 0.759 466 E HN 0.239 nan 8.360 nan 0.000 0.447 467 D N 0.694 121.030 120.400 -0.108 0.000 2.154 467 D HA -0.234 4.406 4.640 -0.000 0.000 0.190 467 D C 1.982 178.184 176.300 -0.164 0.000 1.003 467 D CA 1.341 55.274 54.000 -0.111 0.000 0.849 467 D CB -0.317 40.321 40.800 -0.270 0.000 0.942 467 D HN 0.121 nan 8.370 nan 0.000 0.446 468 M N 0.333 119.725 119.600 -0.346 0.000 2.226 468 M HA -0.283 4.197 4.480 -0.000 0.000 0.257 468 M C 2.196 178.537 176.300 0.069 0.000 1.070 468 M CA 2.330 57.491 55.300 -0.231 0.000 1.087 468 M CB -0.261 32.036 32.600 -0.505 0.000 1.278 468 M HN 0.027 nan 8.290 nan 0.000 0.426 469 K N -1.220 119.178 120.400 -0.003 0.000 2.217 469 K HA -0.154 4.166 4.320 -0.000 0.000 0.202 469 K C 1.600 178.210 176.600 0.015 0.000 1.051 469 K CA 1.305 57.622 56.287 0.050 0.000 0.952 469 K CB -0.458 32.000 32.500 -0.071 0.000 0.736 469 K HN 0.217 nan 8.250 nan 0.000 0.453 470 Y N 1.850 122.149 120.300 -0.001 0.000 2.092 470 Y HA -0.152 4.398 4.550 -0.000 0.000 0.282 470 Y C 2.532 178.421 175.900 -0.019 0.000 1.126 470 Y CA 0.597 58.684 58.100 -0.022 0.000 1.111 470 Y CB -0.789 37.639 38.460 -0.053 0.000 0.987 470 Y HN -0.184 nan 8.280 nan 0.000 0.489 471 V N 0.809 120.823 119.914 0.168 0.000 2.363 471 V HA -0.376 3.744 4.120 -0.000 0.000 0.254 471 V C 2.228 178.363 176.094 0.068 0.000 1.074 471 V CA 2.237 64.588 62.300 0.085 0.000 1.069 471 V CB -0.847 31.016 31.823 0.066 0.000 0.659 471 V HN 0.419 nan 8.190 nan 0.000 0.455 472 N N 0.048 118.797 118.700 0.082 0.000 2.142 472 N HA -0.155 4.585 4.740 -0.000 0.000 0.186 472 N C 1.841 177.355 175.510 0.006 0.000 1.023 472 N CA 1.964 55.024 53.050 0.017 0.000 0.852 472 N CB -0.057 38.420 38.487 -0.017 0.000 0.998 472 N HN 0.656 nan 8.380 nan 0.000 0.424 473 E N -0.737 119.489 120.200 0.043 0.000 2.127 473 E HA 0.164 4.514 4.350 -0.000 0.000 0.191 473 E C 1.918 178.542 176.600 0.039 0.000 0.964 473 E CA 0.325 56.747 56.400 0.036 0.000 0.832 473 E CB 0.156 29.889 29.700 0.055 0.000 0.790 473 E HN 0.333 nan 8.360 nan 0.000 0.465 474 I N 0.763 121.370 120.570 0.062 0.000 2.493 474 I HA -0.165 4.005 4.170 -0.000 0.000 0.254 474 I C 1.685 177.803 176.117 0.002 0.000 1.160 474 I CA 0.976 62.292 61.300 0.027 0.000 1.445 474 I CB 0.135 38.138 38.000 0.005 0.000 1.086 474 I HN 0.077 nan 8.210 nan 0.000 0.433 475 L N 0.193 121.418 121.223 0.003 0.000 2.769 475 L HA 0.212 4.552 4.340 -0.000 0.000 0.240 475 L C 0.302 177.165 176.870 -0.011 0.000 1.163 475 L CA 0.008 54.841 54.840 -0.011 0.000 0.962 475 L CB -0.326 41.724 42.059 -0.016 0.000 1.258 475 L HN 0.269 nan 8.230 nan 0.000 0.513 476 N N 1.105 119.800 118.700 -0.009 0.000 2.702 476 N HA -0.227 4.513 4.740 -0.000 0.000 0.255 476 N C 1.013 176.506 175.510 -0.029 0.000 0.983 476 N CA 0.192 53.231 53.050 -0.019 0.000 0.768 476 N CB -0.563 37.914 38.487 -0.017 0.000 0.918 476 N HN 0.446 nan 8.380 nan 0.000 0.540 477 L N -0.477 120.727 121.223 -0.032 0.000 2.465 477 L HA -0.013 4.327 4.340 -0.000 0.000 0.224 477 L C 1.594 178.421 176.870 -0.072 0.000 1.145 477 L CA 0.671 55.487 54.840 -0.040 0.000 0.834 477 L CB -0.436 41.606 42.059 -0.028 0.000 0.944 477 L HN 0.428 nan 8.230 nan 0.000 0.451 478 G N 1.865 110.614 108.800 -0.085 0.000 2.334 478 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.279 478 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.279 478 G C -0.256 174.553 174.900 -0.152 0.000 0.918 478 G CA 0.161 45.197 45.100 -0.108 0.000 1.314 478 G HN 0.244 nan 8.290 nan 0.000 0.463 479 L N 0.440 121.524 121.223 -0.232 0.000 2.330 479 L HA 0.576 4.916 4.340 -0.000 0.000 0.271 479 L C -0.335 176.303 176.870 -0.386 0.000 1.013 479 L CA -1.113 53.535 54.840 -0.321 0.000 0.816 479 L CB 1.939 43.741 42.059 -0.429 0.000 1.287 479 L HN 0.229 nan 8.230 nan 0.000 0.435 480 D N 0.267 120.497 120.400 -0.283 0.000 2.414 480 D HA 0.189 4.829 4.640 -0.000 0.000 0.232 480 D C 0.188 176.410 176.300 -0.130 0.000 1.070 480 D CA -0.230 53.663 54.000 -0.179 0.000 0.839 480 D CB 1.049 41.812 40.800 -0.063 0.000 1.079 480 D HN 0.235 nan 8.370 nan 0.000 0.521 481 Y N 1.715 122.018 120.300 0.006 0.000 2.220 481 Y HA -0.082 4.468 4.550 -0.000 0.000 0.291 481 Y C 1.802 177.693 175.900 -0.015 0.000 1.129 481 Y CA 0.810 58.904 58.100 -0.009 0.000 1.161 481 Y CB -0.015 38.450 38.460 0.008 0.000 0.997 481 Y HN 0.418 nan 8.280 nan 0.000 0.522 482 D N -0.769 119.736 120.400 0.175 0.000 2.117 482 D HA -0.189 4.451 4.640 -0.000 0.000 0.198 482 D C 2.035 178.382 176.300 0.079 0.000 0.982 482 D CA 1.012 55.078 54.000 0.110 0.000 0.828 482 D CB -0.873 39.988 40.800 0.101 0.000 0.967 482 D HN 0.271 nan 8.370 nan 0.000 0.464 483 F N 1.329 121.259 119.950 -0.033 0.000 2.171 483 F HA -0.090 4.437 4.527 -0.000 0.000 0.300 483 F C 2.083 177.831 175.800 -0.087 0.000 1.090 483 F CA 0.873 58.841 58.000 -0.052 0.000 1.293 483 F CB -0.122 38.842 39.000 -0.061 0.000 1.013 483 F HN -0.126 nan 8.300 nan 0.000 0.486 484 L N -0.055 121.136 121.223 -0.054 0.000 1.948 484 L HA -0.281 4.059 4.340 -0.000 0.000 0.212 484 L C 2.303 178.930 176.870 -0.405 0.000 1.074 484 L CA 1.919 56.584 54.840 -0.293 0.000 0.753 484 L CB -1.048 40.775 42.059 -0.394 0.000 0.888 484 L HN 0.224 nan 8.230 nan 0.000 0.432 485 N N 0.336 118.843 118.700 -0.322 0.000 2.100 485 N HA -0.325 4.415 4.740 -0.000 0.000 0.199 485 N C 1.606 177.083 175.510 -0.054 0.000 1.017 485 N CA 2.488 55.497 53.050 -0.068 0.000 0.890 485 N CB -0.125 38.392 38.487 0.050 0.000 1.080 485 N HN 0.240 nan 8.380 nan 0.000 0.525 486 E N -1.258 118.882 120.200 -0.100 0.000 2.265 486 E HA -0.087 4.263 4.350 -0.000 0.000 0.196 486 E C 1.162 177.667 176.600 -0.158 0.000 0.996 486 E CA 1.437 57.774 56.400 -0.106 0.000 0.832 486 E CB -0.014 29.622 29.700 -0.106 0.000 0.756 486 E HN 0.630 nan 8.360 nan 0.000 0.491 487 N N -0.918 117.619 118.700 -0.271 0.000 2.474 487 N HA 0.008 4.748 4.740 -0.000 0.000 0.224 487 N C 0.012 175.443 175.510 -0.131 0.000 1.092 487 N CA -0.239 52.632 53.050 -0.299 0.000 0.844 487 N CB 0.464 38.532 38.487 -0.698 0.000 1.381 487 N HN -0.126 nan 8.380 nan 0.000 0.458 488 E N 0.428 120.562 120.200 -0.110 0.000 2.415 488 E HA -0.019 4.331 4.350 -0.000 0.000 0.262 488 E C 0.039 176.779 176.600 0.234 0.000 1.038 488 E CA -0.066 56.372 56.400 0.063 0.000 0.921 488 E CB 0.353 30.076 29.700 0.039 0.000 0.950 488 E HN 0.120 nan 8.360 nan 0.000 0.438 489 F N 4.330 124.360 119.950 0.134 0.000 2.270 489 F HA -0.055 4.472 4.527 -0.000 0.000 0.295 489 F C 1.612 177.543 175.800 0.217 0.000 1.087 489 F CA 1.038 59.124 58.000 0.143 0.000 1.365 489 F CB -0.612 38.458 39.000 0.116 0.000 1.056 489 F HN 0.768 nan 8.300 nan 0.000 0.506 490 Y N 0.361 120.681 120.300 0.033 0.000 2.193 490 Y HA -0.318 4.232 4.550 -0.000 0.000 0.285 490 Y C 2.614 178.489 175.900 -0.042 0.000 1.166 490 Y CA 2.421 60.502 58.100 -0.031 0.000 1.181 490 Y CB -0.617 37.978 38.460 0.225 0.000 0.976 490 Y HN 0.190 nan 8.280 nan 0.000 0.520 491 H N -1.798 117.384 119.070 0.187 0.000 2.502 491 H HA -0.067 4.489 4.556 -0.000 0.000 0.283 491 H C 1.913 177.220 175.328 -0.035 0.000 1.015 491 H CA 1.279 57.390 56.048 0.105 0.000 1.298 491 H CB 0.111 29.945 29.762 0.120 0.000 1.411 491 H HN 0.374 nan 8.280 nan 0.000 0.556 492 T N 1.262 115.835 114.554 0.031 0.000 2.821 492 T HA -0.076 4.274 4.350 -0.000 0.000 0.267 492 T C 2.338 176.911 174.700 -0.211 0.000 1.046 492 T CA 0.606 62.682 62.100 -0.039 0.000 1.139 492 T CB -0.132 68.817 68.868 0.135 0.000 0.871 492 T HN 0.194 nan 8.240 nan 0.000 0.454 493 L N 0.373 121.367 121.223 -0.381 0.000 2.005 493 L HA -0.019 4.321 4.340 -0.000 0.000 0.207 493 L C 2.520 179.182 176.870 -0.347 0.000 1.072 493 L CA 1.107 55.726 54.840 -0.369 0.000 0.744 493 L CB -0.795 40.992 42.059 -0.454 0.000 0.895 493 L HN 0.192 nan 8.230 nan 0.000 0.433 494 L N -0.004 121.001 121.223 -0.363 0.000 2.010 494 L HA -0.333 4.007 4.340 -0.000 0.000 0.219 494 L C 2.798 179.537 176.870 -0.219 0.000 1.077 494 L CA 1.751 56.430 54.840 -0.268 0.000 0.773 494 L CB -0.502 41.423 42.059 -0.223 0.000 0.892 494 L HN 0.260 nan 8.230 nan 0.000 0.436 495 K N -0.781 119.507 120.400 -0.187 0.000 2.063 495 K HA -0.175 4.144 4.320 -0.000 0.000 0.208 495 K C 1.986 178.438 176.600 -0.246 0.000 1.048 495 K CA 2.005 58.193 56.287 -0.165 0.000 0.928 495 K CB -0.381 32.054 32.500 -0.108 0.000 0.713 495 K HN 0.533 nan 8.250 nan 0.000 0.442 496 T N -1.650 112.682 114.554 -0.371 0.000 2.962 496 T HA -0.061 4.289 4.350 -0.000 0.000 0.270 496 T C 1.856 176.185 174.700 -0.617 0.000 1.088 496 T CA 1.410 63.171 62.100 -0.565 0.000 1.127 496 T CB -0.259 68.043 68.868 -0.944 0.000 0.883 496 T HN 0.039 nan 8.240 nan 0.000 0.493 497 T N 1.250 115.521 114.554 -0.471 0.000 2.978 497 T HA 0.124 4.474 4.350 -0.000 0.000 0.262 497 T C 1.778 176.347 174.700 -0.218 0.000 1.063 497 T CA 0.760 62.656 62.100 -0.339 0.000 1.140 497 T CB -0.124 68.622 68.868 -0.203 0.000 0.886 497 T HN 0.465 nan 8.240 nan 0.000 0.470 498 K N 1.424 121.712 120.400 -0.187 0.000 2.032 498 K HA -0.157 4.163 4.320 -0.000 0.000 0.218 498 K C -0.767 175.770 176.600 -0.104 0.000 1.054 498 K CA 1.879 58.092 56.287 -0.125 0.000 0.941 498 K CB -0.800 31.633 32.500 -0.112 0.000 0.720 498 K HN 0.264 nan 8.250 nan 0.000 0.449 499 P HA -0.089 nan 4.420 nan 0.000 0.229 499 P C 1.279 178.545 177.300 -0.057 0.000 1.160 499 P CA 1.169 64.219 63.100 -0.084 0.000 0.777 499 P CB -0.079 31.560 31.700 -0.103 0.000 0.814 500 I N -0.401 120.112 120.570 -0.096 0.000 2.193 500 I HA -0.184 3.986 4.170 -0.000 0.000 0.240 500 I C 2.618 178.728 176.117 -0.012 0.000 1.084 500 I CA 1.178 62.443 61.300 -0.058 0.000 1.365 500 I CB -0.780 37.156 38.000 -0.107 0.000 1.064 500 I HN -0.202 nan 8.210 nan 0.000 0.410 501 I N 0.343 120.892 120.570 -0.036 0.000 2.248 501 I HA -0.360 3.810 4.170 -0.000 0.000 0.248 501 I C 2.714 178.872 176.117 0.068 0.000 1.107 501 I CA 1.746 63.060 61.300 0.023 0.000 1.373 501 I CB -0.248 37.768 38.000 0.026 0.000 1.055 501 I HN 0.288 nan 8.210 nan 0.000 0.418 502 M N -0.595 119.022 119.600 0.028 0.000 2.067 502 M HA -0.270 4.210 4.480 -0.000 0.000 0.260 502 M C 2.471 178.792 176.300 0.035 0.000 1.069 502 M CA 1.990 57.301 55.300 0.019 0.000 1.117 502 M CB -0.519 32.081 32.600 -0.000 0.000 1.334 502 M HN 0.269 nan 8.290 nan 0.000 0.407 503 H N 0.438 119.489 119.070 -0.031 0.000 2.289 503 H HA -0.157 4.399 4.556 -0.000 0.000 0.296 503 H C 1.770 177.096 175.328 -0.004 0.000 1.091 503 H CA 2.180 58.212 56.048 -0.026 0.000 1.274 503 H CB -0.348 29.393 29.762 -0.036 0.000 1.364 503 H HN 0.278 nan 8.280 nan 0.000 0.490 504 L N -0.564 120.677 121.223 0.030 0.000 2.079 504 L HA -0.229 4.111 4.340 -0.000 0.000 0.210 504 L C 2.734 179.646 176.870 0.070 0.000 1.081 504 L CA 1.619 56.479 54.840 0.034 0.000 0.752 504 L CB -0.364 41.735 42.059 0.066 0.000 0.896 504 L HN 0.453 nan 8.230 nan 0.000 0.433 505 M N -0.860 118.766 119.600 0.043 0.000 2.200 505 M HA -0.079 4.401 4.480 -0.000 0.000 0.265 505 M C 1.904 178.097 176.300 -0.178 0.000 1.066 505 M CA 1.626 56.844 55.300 -0.136 0.000 1.127 505 M CB -0.279 32.222 32.600 -0.165 0.000 1.379 505 M HN 0.276 nan 8.290 nan 0.000 0.420 506 G N 0.093 108.803 108.800 -0.150 0.000 2.776 506 G HA2 0.110 4.070 3.960 -0.000 0.000 0.209 506 G HA3 0.110 4.070 3.960 -0.000 0.000 0.209 506 G C 0.431 175.233 174.900 -0.163 0.000 1.145 506 G CA -0.087 44.922 45.100 -0.152 0.000 0.791 506 G HN 0.256 nan 8.290 nan 0.000 0.530 507 L N 0.532 121.657 121.223 -0.164 0.000 2.334 507 L HA 0.275 4.615 4.340 -0.000 0.000 0.277 507 L C 0.598 177.429 176.870 -0.065 0.000 1.075 507 L CA -0.764 54.000 54.840 -0.127 0.000 0.804 507 L CB 1.658 43.645 42.059 -0.119 0.000 1.174 507 L HN 0.167 nan 8.230 nan 0.000 0.438 508 E N 2.072 122.244 120.200 -0.047 0.000 2.480 508 E HA -0.133 4.217 4.350 -0.000 0.000 0.258 508 E C 0.995 177.599 176.600 0.007 0.000 0.984 508 E CA 0.006 56.393 56.400 -0.022 0.000 0.930 508 E CB 0.777 30.466 29.700 -0.017 0.000 0.936 508 E HN 0.676 nan 8.360 nan 0.000 0.466 509 E N 4.019 124.233 120.200 0.023 0.000 2.171 509 E HA -0.347 4.003 4.350 -0.000 0.000 0.197 509 E C 1.241 177.884 176.600 0.072 0.000 0.997 509 E CA 2.017 58.459 56.400 0.069 0.000 0.810 509 E CB -0.044 29.701 29.700 0.075 0.000 0.738 509 E HN 0.572 nan 8.360 nan 0.000 0.467 510 N N -0.039 118.687 118.700 0.044 0.000 2.135 510 N HA -0.098 4.642 4.740 -0.000 0.000 0.186 510 N C 1.648 177.183 175.510 0.041 0.000 1.027 510 N CA 1.618 54.693 53.050 0.041 0.000 0.849 510 N CB -0.071 38.432 38.487 0.026 0.000 1.002 510 N HN 0.154 nan 8.380 nan 0.000 0.425 511 V N 1.405 121.338 119.914 0.032 0.000 2.231 511 V HA -0.347 3.773 4.120 -0.000 0.000 0.250 511 V C 2.448 178.571 176.094 0.048 0.000 1.058 511 V CA 2.140 64.459 62.300 0.030 0.000 1.022 511 V CB -0.751 31.080 31.823 0.013 0.000 0.640 511 V HN 0.435 nan 8.190 nan 0.000 0.445 512 M N -0.643 118.994 119.600 0.061 0.000 2.108 512 M HA -0.245 4.235 4.480 -0.000 0.000 0.257 512 M C 2.443 178.817 176.300 0.123 0.000 1.071 512 M CA 1.955 57.317 55.300 0.103 0.000 1.093 512 M CB -0.302 32.397 32.600 0.164 0.000 1.345 512 M HN 0.249 nan 8.290 nan 0.000 0.403 513 R N 0.335 120.901 120.500 0.110 0.000 2.115 513 R HA -0.002 4.338 4.340 -0.000 0.000 0.226 513 R C 1.247 177.591 176.300 0.074 0.000 1.100 513 R CA 1.030 57.191 56.100 0.102 0.000 0.980 513 R CB -1.041 29.305 30.300 0.076 0.000 0.875 513 R HN 0.531 nan 8.270 nan 0.000 0.445 514 N N 0.160 118.895 118.700 0.057 0.000 2.280 514 N HA 0.015 4.755 4.740 -0.000 0.000 0.192 514 N C -0.191 175.344 175.510 0.041 0.000 1.109 514 N CA 0.140 53.215 53.050 0.042 0.000 0.855 514 N CB 0.440 38.947 38.487 0.033 0.000 0.974 514 N HN -0.099 nan 8.380 nan 0.000 0.482 515 S N 1.017 116.747 115.700 0.051 0.000 4.053 515 S HA 0.025 4.495 4.470 -0.000 0.000 0.184 515 S C 1.308 175.930 174.600 0.037 0.000 1.324 515 S CA -0.006 58.224 58.200 0.049 0.000 0.956 515 S CB -0.422 62.816 63.200 0.064 0.000 1.503 515 S HN 0.269 nan 8.310 nan 0.000 0.440 516 T N 1.208 115.779 114.554 0.029 0.000 2.759 516 T HA -0.178 4.172 4.350 -0.000 0.000 0.269 516 T C 1.862 176.568 174.700 0.011 0.000 1.042 516 T CA 1.387 63.499 62.100 0.020 0.000 1.140 516 T CB -0.140 68.737 68.868 0.015 0.000 0.864 516 T HN 0.448 nan 8.240 nan 0.000 0.455 517 E N 1.169 121.376 120.200 0.011 0.000 2.046 517 E HA -0.077 4.273 4.350 -0.000 0.000 0.190 517 E C 2.143 178.745 176.600 0.003 0.000 0.982 517 E CA 1.088 57.491 56.400 0.005 0.000 0.800 517 E CB -0.223 29.480 29.700 0.005 0.000 0.756 517 E HN 0.401 nan 8.360 nan 0.000 0.449 518 E N 0.450 120.655 120.200 0.007 0.000 2.058 518 E HA -0.153 4.197 4.350 -0.000 0.000 0.194 518 E C 2.155 178.735 176.600 -0.035 0.000 0.997 518 E CA 1.179 57.580 56.400 0.001 0.000 0.801 518 E CB -0.379 29.344 29.700 0.038 0.000 0.746 518 E HN 0.282 nan 8.360 nan 0.000 0.450 519 L N 0.541 121.739 121.223 -0.042 0.000 2.042 519 L HA -0.199 4.141 4.340 -0.000 0.000 0.210 519 L C 2.505 179.343 176.870 -0.053 0.000 1.076 519 L CA 1.402 56.193 54.840 -0.081 0.000 0.749 519 L CB -0.488 41.566 42.059 -0.008 0.000 0.893 519 L HN 0.127 nan 8.230 nan 0.000 0.432 520 K N 0.671 121.058 120.400 -0.023 0.000 2.148 520 K HA -0.143 4.177 4.320 -0.000 0.000 0.204 520 K C 2.046 178.635 176.600 -0.018 0.000 1.050 520 K CA 0.980 57.254 56.287 -0.022 0.000 0.942 520 K CB 0.061 32.550 32.500 -0.019 0.000 0.724 520 K HN 0.250 nan 8.250 nan 0.000 0.446 521 I N 0.815 121.391 120.570 0.011 0.000 2.110 521 I HA -0.296 3.874 4.170 -0.000 0.000 0.236 521 I C 2.352 178.564 176.117 0.159 0.000 1.068 521 I CA 0.693 62.045 61.300 0.088 0.000 1.333 521 I CB -0.383 37.682 38.000 0.107 0.000 1.054 521 I HN 0.189 nan 8.210 nan 0.000 0.402 522 L N 1.414 122.678 121.223 0.069 0.000 2.021 522 L HA -0.315 4.025 4.340 -0.000 0.000 0.215 522 L C 2.278 179.170 176.870 0.035 0.000 1.074 522 L CA 1.999 56.860 54.840 0.035 0.000 0.760 522 L CB -1.106 40.839 42.059 -0.190 0.000 0.889 522 L HN 0.305 nan 8.230 nan 0.000 0.433 523 N N -0.367 118.321 118.700 -0.021 0.000 2.037 523 N HA -0.317 4.423 4.740 -0.000 0.000 0.196 523 N C 1.922 177.397 175.510 -0.058 0.000 1.034 523 N CA 1.990 55.026 53.050 -0.023 0.000 0.861 523 N CB -0.205 38.266 38.487 -0.026 0.000 1.039 523 N HN 0.686 nan 8.380 nan 0.000 0.427 524 E N -0.393 119.734 120.200 -0.123 0.000 2.085 524 E HA -0.207 4.143 4.350 -0.000 0.000 0.194 524 E C 1.786 178.137 176.600 -0.415 0.000 0.994 524 E CA 1.368 57.588 56.400 -0.301 0.000 0.801 524 E CB -0.365 29.089 29.700 -0.410 0.000 0.743 524 E HN 0.493 nan 8.360 nan 0.000 0.453 525 W N 0.872 122.118 121.300 -0.090 0.000 2.407 525 W HA 0.061 4.721 4.660 -0.000 0.000 0.305 525 W C 2.408 178.845 176.519 -0.136 0.000 1.196 525 W CA 0.367 57.639 57.345 -0.122 0.000 1.311 525 W CB -0.266 29.114 29.460 -0.134 0.000 1.135 525 W HN 0.030 nan 8.180 nan 0.000 0.514 526 I N -0.047 120.576 120.570 0.089 0.000 2.194 526 I HA -0.341 3.829 4.170 -0.000 0.000 0.246 526 I C 1.991 178.093 176.117 -0.025 0.000 1.093 526 I CA 1.315 62.626 61.300 0.018 0.000 1.355 526 I CB -0.977 37.036 38.000 0.022 0.000 1.046 526 I HN -0.155 nan 8.210 nan 0.000 0.413 527 V N 0.526 120.410 119.914 -0.049 0.000 2.515 527 V HA -0.198 3.922 4.120 -0.000 0.000 0.250 527 V C 2.506 178.551 176.094 -0.081 0.000 1.058 527 V CA 1.525 63.787 62.300 -0.063 0.000 1.064 527 V CB -0.724 31.053 31.823 -0.077 0.000 0.675 527 V HN 0.362 nan 8.190 nan 0.000 0.461 528 R N -0.590 119.839 120.500 -0.119 0.000 2.075 528 R HA -0.056 4.284 4.340 -0.000 0.000 0.232 528 R C 2.323 178.568 176.300 -0.091 0.000 1.126 528 R CA 1.497 57.525 56.100 -0.121 0.000 0.963 528 R CB -0.278 29.910 30.300 -0.186 0.000 0.858 528 R HN 0.452 nan 8.270 nan 0.000 0.435 529 M N -0.689 118.827 119.600 -0.140 0.000 2.099 529 M HA -0.038 4.442 4.480 -0.000 0.000 0.262 529 M C 2.436 178.729 176.300 -0.011 0.000 1.067 529 M CA 1.694 56.873 55.300 -0.201 0.000 1.124 529 M CB -0.616 31.741 32.600 -0.405 0.000 1.353 529 M HN 0.294 nan 8.290 nan 0.000 0.410 530 G N 0.900 109.673 108.800 -0.046 0.000 2.505 530 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.220 530 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.220 530 G C 1.687 176.574 174.900 -0.022 0.000 1.145 530 G CA 1.119 46.191 45.100 -0.046 0.000 0.761 530 G HN 0.373 nan 8.290 nan 0.000 0.571 531 K N -0.259 120.138 120.400 -0.005 0.000 2.026 531 K HA -0.039 4.281 4.320 -0.000 0.000 0.208 531 K C 2.657 179.281 176.600 0.040 0.000 1.048 531 K CA 1.268 57.564 56.287 0.016 0.000 0.929 531 K CB -0.375 32.135 32.500 0.017 0.000 0.713 531 K HN 0.262 nan 8.250 nan 0.000 0.439 532 V N 1.871 121.836 119.914 0.085 0.000 2.594 532 V HA -0.232 3.888 4.120 -0.000 0.000 0.253 532 V C 2.224 178.379 176.094 0.102 0.000 1.069 532 V CA 2.026 64.426 62.300 0.167 0.000 1.082 532 V CB -0.603 31.428 31.823 0.347 0.000 0.680 532 V HN 0.417 nan 8.190 nan 0.000 0.469 533 R N -0.343 120.139 120.500 -0.030 0.000 2.254 533 R HA 0.386 4.726 4.340 -0.000 0.000 0.193 533 R C 1.740 178.042 176.300 0.004 0.000 0.929 533 R CA 1.054 57.059 56.100 -0.159 0.000 1.038 533 R CB 0.264 30.212 30.300 -0.586 0.000 1.009 533 R HN 0.335 nan 8.270 nan 0.000 0.512 534 G N 0.115 108.898 108.800 -0.028 0.000 2.259 534 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.217 534 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.217 534 G C 0.040 175.013 174.900 0.121 0.000 1.001 534 G CA 0.067 45.144 45.100 -0.040 0.000 0.627 534 G HN 0.363 nan 8.290 nan 0.000 0.501 535 S N -0.792 114.946 115.700 0.064 0.000 2.568 535 S HA 0.651 5.121 4.470 -0.000 0.000 0.293 535 S C 0.851 175.438 174.600 -0.021 0.000 1.089 535 S CA -0.095 58.140 58.200 0.058 0.000 0.945 535 S CB 2.002 65.231 63.200 0.049 0.000 1.077 535 S HN 0.495 nan 8.310 nan 0.000 0.485 536 I N 2.211 122.789 120.570 0.013 0.000 2.353 536 I HA 0.213 4.383 4.170 -0.000 0.000 0.248 536 I C 0.947 177.049 176.117 -0.024 0.000 1.119 536 I CA 1.395 62.691 61.300 -0.006 0.000 1.417 536 I CB -0.176 37.842 38.000 0.030 0.000 1.078 536 I HN 0.723 nan 8.210 nan 0.000 0.421 537 G N 0.000 108.811 108.800 0.018 0.000 5.446 537 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 537 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 537 G CA 0.000 45.137 45.100 0.062 0.000 0.502 537 G HN 0.000 nan 8.290 nan 0.000 0.925