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_A 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 XXXXXXXXAN 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 55.309 55.300 0.014 0.000 0.988 1 M CB 0.000 32.607 32.600 0.011 0.000 1.302 2 K N 3.349 123.759 120.400 0.018 0.000 2.168 2 K HA 0.448 4.768 4.320 -0.001 0.000 0.258 2 K C -0.679 175.935 176.600 0.024 0.000 1.010 2 K CA -0.628 55.673 56.287 0.023 0.000 0.929 2 K CB 0.815 33.329 32.500 0.023 0.000 0.998 2 K HN 0.575 nan 8.250 nan 0.000 0.479 3 I N 3.673 124.261 120.570 0.030 0.000 2.322 3 I HA 0.140 4.309 4.170 -0.001 0.000 0.292 3 I C -1.850 174.289 176.117 0.036 0.000 1.060 3 I CA -2.262 59.056 61.300 0.030 0.000 1.309 3 I CB 0.271 38.291 38.000 0.033 0.000 1.415 3 I HN 0.620 nan 8.210 nan 0.000 0.492 4 P HA 0.076 nan 4.420 nan 0.000 0.268 4 P C 0.845 178.185 177.300 0.066 0.000 1.205 4 P CA -0.261 62.862 63.100 0.039 0.000 0.771 4 P CB 0.728 32.442 31.700 0.023 0.000 0.858 5 C N 0.310 119.668 119.300 0.097 0.000 2.448 5 C HA 0.059 4.519 4.460 -0.001 0.000 0.280 5 C C 1.204 176.349 174.990 0.258 0.000 1.398 5 C CA 0.164 59.290 59.018 0.180 0.000 1.774 5 C CB -1.762 26.105 27.740 0.210 0.000 1.888 5 C HN 0.660 nan 8.230 nan 0.000 0.519 6 S N 0.324 116.123 115.700 0.165 0.000 2.561 6 S HA 0.687 5.157 4.470 -0.001 0.000 0.303 6 S C -1.020 173.634 174.600 0.091 0.000 1.110 6 S CA -0.391 57.912 58.200 0.173 0.000 1.034 6 S CB 1.300 64.380 63.200 -0.200 0.000 1.010 6 S HN 0.462 nan 8.310 nan 0.000 0.482 7 M N 5.543 125.267 119.600 0.206 0.000 2.190 7 M HA 0.476 4.956 4.480 -0.001 0.000 0.312 7 M C -0.928 175.475 176.300 0.171 0.000 0.990 7 M CA -0.979 54.395 55.300 0.123 0.000 0.927 7 M CB 1.723 34.377 32.600 0.089 0.000 1.571 7 M HN 0.963 nan 8.290 nan 0.000 0.427 8 M N 3.935 123.591 119.600 0.093 0.000 2.180 8 M HA 0.531 5.011 4.480 -0.001 0.000 0.358 8 M C -0.333 176.035 176.300 0.113 0.000 1.233 8 M CA -0.282 55.090 55.300 0.120 0.000 1.114 8 M CB 0.932 33.564 32.600 0.053 0.000 1.594 8 M HN 0.679 nan 8.290 nan 0.000 0.467 9 T N 0.252 114.903 114.554 0.161 0.000 2.919 9 T HA 0.399 4.748 4.350 -0.001 0.000 0.282 9 T C 0.189 174.977 174.700 0.147 0.000 1.020 9 T CA -0.814 61.389 62.100 0.171 0.000 0.994 9 T CB 1.604 70.684 68.868 0.353 0.000 1.180 9 T HN 0.819 nan 8.240 nan 0.000 0.566 10 Q N -0.230 119.602 119.800 0.054 0.000 2.206 10 Q HA 0.185 4.524 4.340 -0.001 0.000 0.265 10 Q C -0.757 175.231 176.000 -0.020 0.000 0.866 10 Q CA -0.298 55.506 55.803 0.002 0.000 1.073 10 Q CB -0.014 28.676 28.738 -0.079 0.000 1.165 10 Q HN 0.657 nan 8.270 nan 0.000 0.465 11 H N 1.890 120.980 119.070 0.033 0.000 2.848 11 H HA 0.016 4.572 4.556 -0.001 0.000 0.341 11 H C -1.689 173.665 175.328 0.044 0.000 1.060 11 H CA -1.119 54.952 56.048 0.037 0.000 1.444 11 H CB 0.566 30.355 29.762 0.044 0.000 1.446 11 H HN 0.094 nan 8.280 nan 0.000 0.583 12 P HA -0.003 nan 4.420 nan 0.000 0.226 12 P C -0.344 177.026 177.300 0.117 0.000 1.758 12 P CA 0.028 63.187 63.100 0.099 0.000 0.896 12 P CB -0.005 31.740 31.700 0.075 0.000 1.784 13 D N -0.841 119.643 120.400 0.140 0.000 2.349 13 D HA -0.036 4.603 4.640 -0.001 0.000 0.214 13 D C 0.249 176.608 176.300 0.098 0.000 1.063 13 D CA -0.086 53.983 54.000 0.114 0.000 0.847 13 D CB -0.123 40.737 40.800 0.099 0.000 0.933 13 D HN 0.188 nan 8.370 nan 0.000 0.513 14 N N 0.572 119.339 118.700 0.112 0.000 2.434 14 N HA 0.027 4.766 4.740 -0.001 0.000 0.266 14 N C 0.981 176.544 175.510 0.089 0.000 1.223 14 N CA -0.528 52.595 53.050 0.122 0.000 0.972 14 N CB 1.969 40.559 38.487 0.172 0.000 1.207 14 N HN -0.187 nan 8.380 nan 0.000 0.525 15 V N 0.218 120.190 119.914 0.096 0.000 2.492 15 V HA -0.001 4.118 4.120 -0.001 0.000 0.241 15 V C 2.100 178.230 176.094 0.060 0.000 1.041 15 V CA 1.342 63.688 62.300 0.077 0.000 1.057 15 V CB -0.742 31.133 31.823 0.086 0.000 0.711 15 V HN 0.732 nan 8.190 nan 0.000 0.468 16 E N -0.533 119.703 120.200 0.060 0.000 2.256 16 E HA 0.075 4.424 4.350 -0.001 0.000 0.198 16 E C 0.347 176.961 176.600 0.024 0.000 0.908 16 E CA 0.296 56.722 56.400 0.045 0.000 0.915 16 E CB 0.613 30.349 29.700 0.059 0.000 0.890 16 E HN 0.460 nan 8.360 nan 0.000 0.484 17 T N 0.822 115.364 114.554 -0.021 0.000 2.744 17 T HA 0.174 4.523 4.350 -0.001 0.000 0.291 17 T C -0.868 173.770 174.700 -0.103 0.000 0.957 17 T CA -0.367 61.680 62.100 -0.088 0.000 1.002 17 T CB 0.559 69.286 68.868 -0.234 0.000 0.919 17 T HN 0.064 nan 8.240 nan 0.000 0.468 18 Y N 4.693 124.910 120.300 -0.139 0.000 2.304 18 Y HA 0.531 5.081 4.550 -0.001 0.000 0.328 18 Y C -0.705 175.106 175.900 -0.149 0.000 1.123 18 Y CA -1.364 56.663 58.100 -0.122 0.000 1.218 18 Y CB 0.515 38.932 38.460 -0.071 0.000 1.207 18 Y HN 0.427 nan 8.280 nan 0.000 0.495 19 I N 6.861 126.946 120.570 -0.808 0.000 2.448 19 I HA 0.176 4.346 4.170 -0.001 0.000 0.281 19 I C -0.161 175.432 176.117 -0.874 0.000 1.027 19 I CA -0.451 60.447 61.300 -0.670 0.000 1.111 19 I CB 1.043 38.797 38.000 -0.409 0.000 1.236 19 I HN 0.776 nan 8.210 nan 0.000 0.452 20 S N 6.103 121.339 115.700 -0.774 0.000 2.645 20 S HA 0.457 4.926 4.470 -0.001 0.000 0.266 20 S C 1.570 176.033 174.600 -0.228 0.000 1.258 20 S CA -0.785 57.125 58.200 -0.484 0.000 0.990 20 S CB 1.447 64.547 63.200 -0.167 0.000 0.967 20 S HN 0.586 nan 8.310 nan 0.000 0.556 21 I N -1.789 118.708 120.570 -0.121 0.000 2.493 21 I HA -0.157 4.012 4.170 -0.001 0.000 0.254 21 I C 2.134 178.213 176.117 -0.063 0.000 1.160 21 I CA 1.128 62.376 61.300 -0.086 0.000 1.445 21 I CB -0.877 37.094 38.000 -0.049 0.000 1.086 21 I HN 0.555 nan 8.210 nan 0.000 0.433 22 Q N 1.487 121.260 119.800 -0.046 0.000 2.084 22 Q HA -0.192 4.147 4.340 -0.001 0.000 0.202 22 Q C 2.225 178.203 176.000 -0.038 0.000 0.978 22 Q CA 1.875 57.660 55.803 -0.030 0.000 0.844 22 Q CB -0.274 28.457 28.738 -0.012 0.000 0.898 22 Q HN 0.649 nan 8.270 nan 0.000 0.426 23 Q N -0.130 119.632 119.800 -0.062 0.000 2.378 23 Q HA -0.095 4.245 4.340 -0.001 0.000 0.205 23 Q C 1.537 177.507 176.000 -0.049 0.000 0.954 23 Q CA 0.596 56.365 55.803 -0.057 0.000 0.901 23 Q CB 0.187 28.873 28.738 -0.086 0.000 0.981 23 Q HN 0.438 nan 8.270 nan 0.000 0.483 24 E N 0.478 120.639 120.200 -0.066 0.000 2.110 24 E HA -0.152 4.197 4.350 -0.001 0.000 0.193 24 E C -0.933 175.647 176.600 -0.033 0.000 0.988 24 E CA 0.928 57.295 56.400 -0.056 0.000 0.804 24 E CB -0.524 29.124 29.700 -0.086 0.000 0.745 24 E HN 0.316 nan 8.360 nan 0.000 0.458 25 P HA -0.163 nan 4.420 nan 0.000 0.216 25 P C 1.086 178.381 177.300 -0.007 0.000 1.153 25 P CA 1.728 64.818 63.100 -0.016 0.000 0.848 25 P CB -0.007 31.688 31.700 -0.009 0.000 0.787 26 A N 0.205 123.023 122.820 -0.004 0.000 1.883 26 A HA -0.280 4.039 4.320 -0.001 0.000 0.217 26 A C 2.362 179.953 177.584 0.011 0.000 1.186 26 A CA 2.064 54.103 52.037 0.004 0.000 0.624 26 A CB -1.489 17.515 19.000 0.006 0.000 0.822 26 A HN 0.243 nan 8.150 nan 0.000 0.444 27 E N -0.082 120.129 120.200 0.019 0.000 2.065 27 E HA -0.223 4.126 4.350 -0.001 0.000 0.201 27 E C 2.126 178.738 176.600 0.019 0.000 1.016 27 E CA 1.581 58.006 56.400 0.041 0.000 0.818 27 E CB -0.335 29.404 29.700 0.065 0.000 0.749 27 E HN 0.530 nan 8.360 nan 0.000 0.453 28 A N 0.852 123.676 122.820 0.006 0.000 1.873 28 A HA -0.138 4.182 4.320 -0.001 0.000 0.215 28 A C 2.240 179.819 177.584 -0.009 0.000 1.186 28 A CA 1.466 53.500 52.037 -0.004 0.000 0.616 28 A CB -0.668 18.325 19.000 -0.011 0.000 0.823 28 A HN 0.378 nan 8.150 nan 0.000 0.442 29 I N -0.649 119.917 120.570 -0.007 0.000 2.208 29 I HA -0.287 3.882 4.170 -0.001 0.000 0.245 29 I C 2.534 178.645 176.117 -0.011 0.000 1.097 29 I CA 1.902 63.197 61.300 -0.008 0.000 1.363 29 I CB -0.182 37.815 38.000 -0.005 0.000 1.051 29 I HN 0.247 nan 8.210 nan 0.000 0.413 30 K N 1.393 121.788 120.400 -0.007 0.000 2.026 30 K HA -0.105 4.214 4.320 -0.001 0.000 0.208 30 K C 2.007 178.591 176.600 -0.026 0.000 1.048 30 K CA 1.667 57.947 56.287 -0.012 0.000 0.929 30 K CB -0.883 31.615 32.500 -0.004 0.000 0.713 30 K HN 0.300 nan 8.250 nan 0.000 0.439 31 G N -0.470 108.313 108.800 -0.030 0.000 2.470 31 G HA2 -0.130 3.829 3.960 -0.001 0.000 0.220 31 G HA3 -0.130 3.829 3.960 -0.001 0.000 0.220 31 G C 0.731 175.596 174.900 -0.058 0.000 1.121 31 G CA 0.757 45.827 45.100 -0.050 0.000 0.766 31 G HN 0.242 nan 8.290 nan 0.000 0.553 32 L N 1.082 122.279 121.223 -0.042 0.000 2.910 32 L HA 0.295 4.634 4.340 -0.001 0.000 0.252 32 L C 0.573 177.422 176.870 -0.034 0.000 1.195 32 L CA 0.038 54.852 54.840 -0.042 0.000 1.003 32 L CB 0.446 42.486 42.059 -0.032 0.000 1.328 32 L HN -0.136 nan 8.230 nan 0.000 0.540 33 T N 1.400 115.935 114.554 -0.031 0.000 2.817 33 T HA 0.305 4.654 4.350 -0.001 0.000 0.293 33 T C -2.368 172.314 174.700 -0.030 0.000 0.964 33 T CA -1.220 60.865 62.100 -0.025 0.000 1.085 33 T CB 1.010 69.867 68.868 -0.018 0.000 0.921 33 T HN -0.151 nan 8.240 nan 0.000 0.502 34 P HA 0.007 nan 4.420 nan 0.000 0.266 34 P C 0.877 178.162 177.300 -0.025 0.000 1.186 34 P CA 0.192 63.276 63.100 -0.027 0.000 0.767 34 P CB 0.510 32.199 31.700 -0.019 0.000 0.820 35 Q N 1.576 121.360 119.800 -0.027 0.000 2.124 35 Q HA -0.172 4.168 4.340 -0.001 0.000 0.202 35 Q C 0.825 176.817 176.000 -0.013 0.000 0.977 35 Q CA 1.543 57.333 55.803 -0.022 0.000 0.850 35 Q CB -0.357 28.368 28.738 -0.023 0.000 0.901 35 Q HN 0.619 nan 8.270 nan 0.000 0.429 36 D N -0.114 120.279 120.400 -0.011 0.000 2.400 36 D HA -0.012 4.628 4.640 -0.001 0.000 0.243 36 D C 0.595 176.892 176.300 -0.006 0.000 1.184 36 D CA 0.363 54.359 54.000 -0.006 0.000 0.853 36 D CB 0.017 40.814 40.800 -0.005 0.000 0.944 36 D HN 0.050 nan 8.370 nan 0.000 0.501 37 K N -0.914 119.482 120.400 -0.008 0.000 2.582 37 K HA 0.307 4.627 4.320 -0.001 0.000 0.204 37 K C 0.756 177.352 176.600 -0.006 0.000 1.221 37 K CA 0.283 56.566 56.287 -0.006 0.000 1.048 37 K CB 0.713 33.208 32.500 -0.008 0.000 1.011 37 K HN 0.115 nan 8.250 nan 0.000 0.597 38 G N 0.228 109.023 108.800 -0.007 0.000 2.157 38 G HA2 -0.199 3.761 3.960 -0.001 0.000 0.239 38 G HA3 -0.199 3.761 3.960 -0.001 0.000 0.239 38 G C 0.230 175.123 174.900 -0.011 0.000 0.982 38 G CA -0.168 44.928 45.100 -0.006 0.000 0.650 38 G HN 0.467 nan 8.290 nan 0.000 0.527 39 G N -1.132 107.657 108.800 -0.018 0.000 2.552 39 G HA2 0.651 4.610 3.960 -0.001 0.000 0.318 39 G HA3 0.651 4.610 3.960 -0.001 0.000 0.318 39 G C 1.023 175.901 174.900 -0.038 0.000 1.240 39 G CA -0.487 44.596 45.100 -0.027 0.000 1.002 39 G HN 0.453 nan 8.290 nan 0.000 0.493 40 L N 0.181 121.371 121.223 -0.055 0.000 2.375 40 L HA 0.226 4.566 4.340 -0.001 0.000 0.215 40 L C 2.053 178.867 176.870 -0.094 0.000 1.108 40 L CA 0.801 55.596 54.840 -0.075 0.000 0.830 40 L CB -0.110 41.890 42.059 -0.099 0.000 0.959 40 L HN 0.893 nan 8.230 nan 0.000 0.457 41 G N 1.094 109.843 108.800 -0.085 0.000 2.160 41 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.244 41 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.244 41 G C 0.209 175.035 174.900 -0.123 0.000 1.022 41 G CA -0.107 44.942 45.100 -0.085 0.000 0.741 41 G HN 0.259 nan 8.290 nan 0.000 0.508 42 I N -0.418 120.057 120.570 -0.159 0.000 2.720 42 I HA 0.301 4.471 4.170 -0.001 0.000 0.287 42 I C 1.264 177.317 176.117 -0.108 0.000 1.090 42 I CA 0.056 61.236 61.300 -0.200 0.000 1.384 42 I CB 0.892 38.747 38.000 -0.241 0.000 1.420 42 I HN 0.185 nan 8.210 nan 0.000 0.575 43 E N 2.207 122.358 120.200 -0.081 0.000 2.583 43 E HA 0.182 4.532 4.350 -0.001 0.000 0.213 43 E C -0.443 176.145 176.600 -0.021 0.000 0.989 43 E CA -0.056 56.320 56.400 -0.040 0.000 0.991 43 E CB 0.805 30.490 29.700 -0.025 0.000 1.040 43 E HN 0.505 nan 8.360 nan 0.000 0.481 44 E N 0.489 120.677 120.200 -0.020 0.000 2.390 44 E HA 0.497 4.847 4.350 -0.001 0.000 0.277 44 E C -1.952 174.650 176.600 0.003 0.000 0.939 44 E CA -0.911 55.488 56.400 -0.002 0.000 0.769 44 E CB 2.553 32.260 29.700 0.013 0.000 1.251 44 E HN -0.056 nan 8.360 nan 0.000 0.450 45 V N 4.386 124.304 119.914 0.006 0.000 2.841 45 V HA 0.561 4.680 4.120 -0.001 0.000 0.310 45 V C -1.219 174.882 176.094 0.011 0.000 1.090 45 V CA -0.704 61.602 62.300 0.010 0.000 0.930 45 V CB 1.857 33.679 31.823 -0.002 0.000 1.014 45 V HN 0.879 nan 8.190 nan 0.000 0.425 46 M N 6.941 126.550 119.600 0.015 0.000 2.180 46 M HA 0.601 5.081 4.480 -0.001 0.000 0.350 46 M C -1.358 174.923 176.300 -0.030 0.000 1.125 46 M CA -0.461 54.842 55.300 0.004 0.000 1.031 46 M CB 1.158 33.770 32.600 0.019 0.000 1.623 46 M HN 0.652 nan 8.290 nan 0.000 0.451 47 I N 4.296 124.842 120.570 -0.041 0.000 2.297 47 I HA 0.158 4.327 4.170 -0.001 0.000 0.291 47 I C -0.371 175.643 176.117 -0.172 0.000 1.033 47 I CA -0.538 60.684 61.300 -0.131 0.000 1.253 47 I CB 0.831 38.757 38.000 -0.124 0.000 1.396 47 I HN 0.611 nan 8.210 nan 0.000 0.476 48 D N 6.175 126.436 120.400 -0.232 0.000 2.344 48 D HA 0.103 4.742 4.640 -0.001 0.000 0.253 48 D C 0.141 176.268 176.300 -0.289 0.000 1.255 48 D CA 0.243 54.126 54.000 -0.196 0.000 0.894 48 D CB 0.375 41.062 40.800 -0.188 0.000 1.067 48 D HN 0.291 nan 8.370 nan 0.000 0.492 49 F N 1.674 121.588 119.950 -0.060 0.000 2.695 49 F HA 0.166 4.693 4.527 -0.001 0.000 0.303 49 F C 2.042 177.813 175.800 -0.047 0.000 1.091 49 F CA -0.232 57.739 58.000 -0.049 0.000 1.300 49 F CB 0.332 39.299 39.000 -0.055 0.000 1.071 49 F HN 0.457 nan 8.300 nan 0.000 0.578 50 E N 0.130 120.381 120.200 0.085 0.000 2.042 50 E HA -0.025 4.324 4.350 -0.001 0.000 0.189 50 E C 2.111 178.725 176.600 0.023 0.000 0.974 50 E CA 1.145 57.569 56.400 0.040 0.000 0.806 50 E CB -0.229 29.472 29.700 0.002 0.000 0.769 50 E HN 0.340 nan 8.360 nan 0.000 0.451 51 G N 0.715 109.511 108.800 -0.005 0.000 3.192 51 G HA2 0.104 4.063 3.960 -0.001 0.000 0.239 51 G HA3 0.104 4.063 3.960 -0.001 0.000 0.239 51 G C 0.368 175.264 174.900 -0.007 0.000 1.084 51 G CA -0.335 44.761 45.100 -0.006 0.000 0.784 51 G HN 0.035 nan 8.290 nan 0.000 0.540 52 K N -0.233 120.156 120.400 -0.018 0.000 2.258 52 K HA 0.575 4.894 4.320 -0.001 0.000 0.236 52 K C -0.086 176.513 176.600 -0.003 0.000 1.008 52 K CA -0.932 55.336 56.287 -0.031 0.000 0.869 52 K CB 1.669 34.114 32.500 -0.093 0.000 1.171 52 K HN -0.083 nan 8.250 nan 0.000 0.447 53 L N 2.111 123.335 121.223 0.001 0.000 2.779 53 L HA 0.189 4.528 4.340 -0.001 0.000 0.239 53 L C -0.675 176.209 176.870 0.023 0.000 1.245 53 L CA 0.377 55.235 54.840 0.030 0.000 1.064 53 L CB -0.535 41.545 42.059 0.036 0.000 1.350 53 L HN 0.559 nan 8.230 nan 0.000 0.455 54 T N 3.357 117.891 114.554 -0.034 0.000 2.793 54 T HA 0.117 4.466 4.350 -0.001 0.000 0.289 54 T C -2.251 172.493 174.700 0.072 0.000 0.956 54 T CA -0.650 61.372 62.100 -0.130 0.000 1.177 54 T CB -0.058 68.474 68.868 -0.560 0.000 0.897 54 T HN 0.250 nan 8.240 nan 0.000 0.533 55 P HA 0.013 nan 4.420 nan 0.000 0.271 55 P C 0.451 177.989 177.300 0.397 0.000 1.218 55 P CA -0.488 62.768 63.100 0.260 0.000 0.780 55 P CB 0.676 32.509 31.700 0.222 0.000 0.901 56 Y N 2.827 123.294 120.300 0.278 0.000 2.228 56 Y HA -0.306 4.243 4.550 -0.001 0.000 0.285 56 Y C 1.885 177.828 175.900 0.071 0.000 1.178 56 Y CA 2.008 60.186 58.100 0.128 0.000 1.202 56 Y CB -0.609 37.801 38.460 -0.083 0.000 0.974 56 Y HN 0.440 nan 8.280 nan 0.000 0.527 57 H N -0.877 118.342 119.070 0.249 0.000 2.529 57 H HA -0.053 4.502 4.556 -0.001 0.000 0.277 57 H C 2.154 177.510 175.328 0.048 0.000 0.999 57 H CA 1.167 57.304 56.048 0.149 0.000 1.256 57 H CB -0.188 29.667 29.762 0.155 0.000 1.402 57 H HN 0.495 nan 8.280 nan 0.000 0.566 58 Q N 0.375 120.268 119.800 0.154 0.000 2.119 58 Q HA -0.152 4.187 4.340 -0.001 0.000 0.201 58 Q C 1.474 177.491 176.000 0.028 0.000 0.972 58 Q CA 1.806 57.643 55.803 0.056 0.000 0.847 58 Q CB 0.135 28.847 28.738 -0.044 0.000 0.903 58 Q HN 0.436 nan 8.270 nan 0.000 0.433 59 T N 0.278 114.862 114.554 0.050 0.000 2.607 59 T HA -0.218 4.131 4.350 -0.001 0.000 0.267 59 T C 1.984 176.673 174.700 -0.019 0.000 1.049 59 T CA 1.964 64.076 62.100 0.020 0.000 1.162 59 T CB -0.517 68.335 68.868 -0.028 0.000 0.863 59 T HN 0.548 nan 8.240 nan 0.000 0.424 60 S N 1.466 117.144 115.700 -0.037 0.000 2.414 60 S HA -0.066 4.403 4.470 -0.001 0.000 0.227 60 S C 2.082 176.688 174.600 0.009 0.000 1.022 60 S CA 0.501 58.689 58.200 -0.020 0.000 0.958 60 S CB -0.539 62.647 63.200 -0.023 0.000 0.797 60 S HN 0.476 nan 8.310 nan 0.000 0.493 61 Q N 0.881 120.702 119.800 0.034 0.000 2.118 61 Q HA -0.165 4.175 4.340 -0.001 0.000 0.211 61 Q C 2.154 178.161 176.000 0.012 0.000 0.998 61 Q CA 2.249 58.072 55.803 0.035 0.000 0.872 61 Q CB -0.510 28.255 28.738 0.044 0.000 0.925 61 Q HN 0.643 nan 8.270 nan 0.000 0.414 62 I N -0.160 120.411 120.570 0.002 0.000 2.162 62 I HA -0.236 3.933 4.170 -0.001 0.000 0.238 62 I C 2.439 178.551 176.117 -0.007 0.000 1.076 62 I CA 0.792 62.089 61.300 -0.006 0.000 1.353 62 I CB -0.466 37.526 38.000 -0.014 0.000 1.063 62 I HN 0.166 nan 8.210 nan 0.000 0.408 63 A N 1.333 124.147 122.820 -0.011 0.000 1.849 63 A HA -0.216 4.104 4.320 -0.001 0.000 0.217 63 A C 2.252 179.828 177.584 -0.012 0.000 1.202 63 A CA 1.762 53.790 52.037 -0.015 0.000 0.629 63 A CB -1.241 17.745 19.000 -0.023 0.000 0.834 63 A HN 0.398 nan 8.150 nan 0.000 0.447 64 L N -0.428 120.789 121.223 -0.011 0.000 2.187 64 L HA -0.137 4.202 4.340 -0.001 0.000 0.213 64 L C 2.738 179.606 176.870 -0.002 0.000 1.100 64 L CA 0.860 55.696 54.840 -0.006 0.000 0.765 64 L CB -0.902 41.156 42.059 -0.001 0.000 0.904 64 L HN 0.538 nan 8.230 nan 0.000 0.437 65 G N 0.431 109.231 108.800 -0.000 0.000 2.433 65 G HA2 -0.204 3.755 3.960 -0.001 0.000 0.216 65 G HA3 -0.204 3.755 3.960 -0.001 0.000 0.216 65 G C 1.619 176.517 174.900 -0.002 0.000 1.186 65 G CA 0.572 45.673 45.100 0.001 0.000 0.779 65 G HN 0.231 nan 8.290 nan 0.000 0.543 66 L N 0.073 121.293 121.223 -0.005 0.000 2.046 66 L HA -0.027 4.313 4.340 -0.001 0.000 0.208 66 L C 2.890 179.756 176.870 -0.007 0.000 1.077 66 L CA 0.698 55.534 54.840 -0.007 0.000 0.747 66 L CB -0.372 41.681 42.059 -0.010 0.000 0.896 66 L HN 0.201 nan 8.230 nan 0.000 0.432 67 I N -0.851 119.715 120.570 -0.007 0.000 2.163 67 I HA -0.333 3.836 4.170 -0.001 0.000 0.243 67 I C 2.800 178.915 176.117 -0.005 0.000 1.085 67 I CA 1.461 62.757 61.300 -0.007 0.000 1.347 67 I CB -0.356 37.638 38.000 -0.009 0.000 1.044 67 I HN 0.209 nan 8.210 nan 0.000 0.408 68 S N 0.396 116.094 115.700 -0.003 0.000 2.440 68 S HA -0.213 4.256 4.470 -0.001 0.000 0.240 68 S C 1.474 176.073 174.600 -0.001 0.000 1.014 68 S CA 1.648 59.847 58.200 -0.001 0.000 0.980 68 S CB -0.572 62.629 63.200 0.001 0.000 0.775 68 S HN 0.485 nan 8.310 nan 0.000 0.499 69 N N -0.613 118.085 118.700 -0.002 0.000 2.203 69 N HA 0.211 4.951 4.740 -0.001 0.000 0.207 69 N C 0.608 176.116 175.510 -0.004 0.000 1.130 69 N CA 0.379 53.427 53.050 -0.003 0.000 0.861 69 N CB 0.477 38.962 38.487 -0.004 0.000 1.005 69 N HN 0.474 nan 8.380 nan 0.000 0.507 70 G N 1.767 110.564 108.800 -0.004 0.000 2.198 70 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.257 70 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.257 70 G C -0.182 174.715 174.900 -0.006 0.000 1.042 70 G CA 0.018 45.115 45.100 -0.004 0.000 0.791 70 G HN 0.293 nan 8.290 nan 0.000 0.502 71 I N 1.117 121.683 120.570 -0.007 0.000 2.410 71 I HA 0.348 4.517 4.170 -0.001 0.000 0.286 71 I C 0.071 176.183 176.117 -0.009 0.000 1.009 71 I CA -1.145 60.150 61.300 -0.008 0.000 1.111 71 I CB 1.431 39.425 38.000 -0.010 0.000 1.262 71 I HN -0.112 nan 8.210 nan 0.000 0.443 72 I N 8.474 129.039 120.570 -0.008 0.000 2.291 72 I HA 0.265 4.434 4.170 -0.001 0.000 0.292 72 I C -2.129 173.983 176.117 -0.009 0.000 1.064 72 I CA -2.443 58.852 61.300 -0.008 0.000 1.269 72 I CB 0.394 38.390 38.000 -0.007 0.000 1.418 72 I HN 0.211 nan 8.210 nan 0.000 0.485 73 P HA 0.175 nan 4.420 nan 0.000 0.271 73 P C 0.844 178.139 177.300 -0.009 0.000 1.220 73 P CA 0.622 63.716 63.100 -0.010 0.000 0.768 73 P CB 1.337 33.029 31.700 -0.013 0.000 0.848 74 G N 3.433 112.229 108.800 -0.006 0.000 2.254 74 G HA2 -0.238 3.722 3.960 -0.001 0.000 0.225 74 G HA3 -0.238 3.722 3.960 -0.001 0.000 0.225 74 G C 0.968 175.867 174.900 -0.001 0.000 1.003 74 G CA 0.258 45.355 45.100 -0.004 0.000 0.622 74 G HN 0.533 nan 8.290 nan 0.000 0.507 75 K N -0.768 119.630 120.400 -0.003 0.000 2.354 75 K HA 0.168 4.487 4.320 -0.001 0.000 0.210 75 K C 1.342 177.941 176.600 -0.001 0.000 1.184 75 K CA 0.466 56.753 56.287 -0.001 0.000 0.880 75 K CB 0.238 32.737 32.500 -0.002 0.000 1.328 75 K HN 0.136 nan 8.250 nan 0.000 0.466 76 D N 0.701 121.099 120.400 -0.004 0.000 2.259 76 D HA -0.018 4.622 4.640 -0.001 0.000 0.216 76 D C 0.849 177.145 176.300 -0.007 0.000 0.961 76 D CA 0.839 54.836 54.000 -0.005 0.000 0.878 76 D CB 0.682 41.477 40.800 -0.007 0.000 1.009 76 D HN 0.079 nan 8.370 nan 0.000 0.490 77 V N -2.127 117.783 119.914 -0.007 0.000 3.160 77 V HA 0.638 4.758 4.120 -0.001 0.000 0.310 77 V C -0.817 175.274 176.094 -0.005 0.000 1.181 77 V CA -1.172 61.123 62.300 -0.009 0.000 1.047 77 V CB 2.635 34.449 31.823 -0.014 0.000 1.068 77 V HN -0.255 nan 8.190 nan 0.000 0.441 78 R N 0.304 120.802 120.500 -0.004 0.000 2.589 78 R HA 0.829 5.168 4.340 -0.001 0.000 0.293 78 R C -1.455 174.844 176.300 -0.002 0.000 0.963 78 R CA -0.645 55.455 56.100 -0.001 0.000 0.905 78 R CB 2.223 32.525 30.300 0.004 0.000 1.144 78 R HN 0.712 nan 8.270 nan 0.000 0.459 79 V N 2.612 122.525 119.914 -0.002 0.000 2.357 79 V HA 0.345 4.465 4.120 -0.001 0.000 0.284 79 V C -0.499 175.598 176.094 0.005 0.000 1.018 79 V CA -0.509 61.791 62.300 -0.001 0.000 0.841 79 V CB 1.695 33.515 31.823 -0.004 0.000 0.991 79 V HN 0.803 nan 8.190 nan 0.000 0.437 80 T N 6.757 121.316 114.554 0.009 0.000 3.064 80 T HA 0.365 4.714 4.350 -0.001 0.000 0.367 80 T C -2.776 171.938 174.700 0.024 0.000 1.202 80 T CA -1.286 60.822 62.100 0.014 0.000 1.133 80 T CB 1.424 70.299 68.868 0.011 0.000 1.074 80 T HN 0.337 nan 8.240 nan 0.000 0.519 81 P HA 0.254 nan 4.420 nan 0.000 0.275 81 P C -0.222 177.121 177.300 0.071 0.000 1.227 81 P CA -0.607 62.549 63.100 0.092 0.000 0.781 81 P CB 0.678 32.465 31.700 0.144 0.000 0.906 82 R N 4.642 125.192 120.500 0.082 0.000 2.215 82 R HA 0.409 4.748 4.340 -0.001 0.000 0.336 82 R C -0.018 176.339 176.300 0.094 0.000 0.996 82 R CA -0.546 55.581 56.100 0.046 0.000 0.847 82 R CB -0.220 30.082 30.300 0.004 0.000 1.127 82 R HN 0.518 nan 8.270 nan 0.000 0.465 83 I N 1.479 122.065 120.570 0.028 0.000 2.793 83 I HA 0.693 4.862 4.170 -0.001 0.000 0.313 83 I C -2.408 173.673 176.117 -0.060 0.000 0.998 83 I CA -3.186 58.109 61.300 -0.007 0.000 1.140 83 I CB 1.841 39.775 38.000 -0.109 0.000 1.327 83 I HN 0.397 nan 8.210 nan 0.000 0.491 84 P HA 0.053 nan 4.420 nan 0.000 0.274 84 P C -1.032 176.147 177.300 -0.203 0.000 1.246 84 P CA -0.330 62.717 63.100 -0.087 0.000 0.795 84 P CB 0.423 32.093 31.700 -0.049 0.000 1.006 85 N N 0.671 119.276 118.700 -0.158 0.000 2.402 85 N HA 0.116 4.856 4.740 -0.001 0.000 0.252 85 N C 1.225 176.643 175.510 -0.154 0.000 1.118 85 N CA -0.031 52.893 53.050 -0.210 0.000 0.945 85 N CB 0.463 38.940 38.487 -0.018 0.000 1.147 85 N HN 0.302 nan 8.380 nan 0.000 0.495 86 A N 4.276 126.921 122.820 -0.292 0.000 2.024 86 A HA -0.185 4.135 4.320 -0.001 0.000 0.220 86 A C 1.814 179.449 177.584 0.084 0.000 1.164 86 A CA 1.458 53.454 52.037 -0.067 0.000 0.643 86 A CB -0.384 18.594 19.000 -0.036 0.000 0.806 86 A HN 0.845 nan 8.150 nan 0.000 0.451 87 N N -0.908 117.909 118.700 0.194 0.000 2.270 87 N HA -0.071 4.668 4.740 -0.001 0.000 0.181 87 N C 1.688 177.247 175.510 0.082 0.000 1.016 87 N CA 0.996 54.141 53.050 0.159 0.000 0.870 87 N CB 0.032 38.636 38.487 0.194 0.000 0.979 87 N HN 0.271 nan 8.380 nan 0.000 0.431 88 K N 0.712 121.151 120.400 0.065 0.000 2.128 88 K HA 0.130 4.449 4.320 -0.001 0.000 0.202 88 K C 0.755 177.366 176.600 0.019 0.000 1.050 88 K CA 0.921 57.229 56.287 0.034 0.000 0.966 88 K CB 0.194 32.712 32.500 0.029 0.000 0.759 88 K HN 0.237 nan 8.250 nan 0.000 0.454 89 E N 0.305 120.512 120.200 0.011 0.000 3.158 89 E HA 0.122 4.472 4.350 -0.001 0.000 0.260 89 E C -0.293 176.312 176.600 0.009 0.000 0.630 89 E CA -0.518 55.886 56.400 0.006 0.000 1.795 89 E CB 0.684 30.385 29.700 0.002 0.000 1.938 89 E HN 0.033 nan 8.360 nan 0.000 0.442 90 S N -0.418 115.290 115.700 0.014 0.000 2.565 90 S HA 0.212 4.681 4.470 -0.001 0.000 0.290 90 S C 0.980 175.611 174.600 0.052 0.000 1.150 90 S CA -0.805 57.410 58.200 0.026 0.000 1.058 90 S CB 1.482 64.701 63.200 0.032 0.000 1.032 90 S HN 0.263 nan 8.310 nan 0.000 0.510 91 V N 1.956 121.916 119.914 0.078 0.000 2.343 91 V HA -0.114 4.006 4.120 -0.001 0.000 0.247 91 V C 1.946 178.175 176.094 0.224 0.000 1.051 91 V CA 1.720 64.095 62.300 0.126 0.000 1.036 91 V CB -1.438 30.477 31.823 0.153 0.000 0.654 91 V HN 0.917 nan 8.190 nan 0.000 0.451 92 F N 0.238 120.175 119.950 -0.022 0.000 2.102 92 F HA -0.178 4.348 4.527 -0.001 0.000 0.298 92 F C 2.869 178.649 175.800 -0.032 0.000 1.105 92 F CA 1.721 59.707 58.000 -0.023 0.000 1.239 92 F CB -0.128 38.864 39.000 -0.014 0.000 0.991 92 F HN -0.038 nan 8.300 nan 0.000 0.474 93 R N 0.411 121.012 120.500 0.169 0.000 2.096 93 R HA -0.224 4.115 4.340 -0.001 0.000 0.235 93 R C 2.252 178.541 176.300 -0.018 0.000 1.127 93 R CA 1.610 57.749 56.100 0.065 0.000 0.968 93 R CB -0.339 29.998 30.300 0.063 0.000 0.861 93 R HN 0.340 nan 8.270 nan 0.000 0.440 94 Q N 0.290 120.070 119.800 -0.033 0.000 2.050 94 Q HA -0.177 4.162 4.340 -0.001 0.000 0.202 94 Q C 2.126 178.048 176.000 -0.130 0.000 0.980 94 Q CA 1.563 57.298 55.803 -0.113 0.000 0.840 94 Q CB -0.042 28.605 28.738 -0.152 0.000 0.898 94 Q HN 0.402 nan 8.270 nan 0.000 0.424 95 L N 0.398 121.569 121.223 -0.087 0.000 2.042 95 L HA -0.237 4.103 4.340 -0.001 0.000 0.210 95 L C 2.764 179.552 176.870 -0.137 0.000 1.076 95 L CA 1.027 55.797 54.840 -0.115 0.000 0.749 95 L CB -0.575 41.397 42.059 -0.145 0.000 0.893 95 L HN 0.470 nan 8.230 nan 0.000 0.432 96 M N 0.427 119.951 119.600 -0.127 0.000 2.073 96 M HA -0.226 4.253 4.480 -0.001 0.000 0.258 96 M C 2.581 178.783 176.300 -0.163 0.000 1.070 96 M CA 2.738 57.995 55.300 -0.072 0.000 1.103 96 M CB -0.610 31.974 32.600 -0.026 0.000 1.321 96 M HN 0.395 nan 8.290 nan 0.000 0.405 97 S N 0.882 116.348 115.700 -0.391 0.000 2.353 97 S HA -0.177 4.293 4.470 -0.001 0.000 0.222 97 S C 2.049 176.346 174.600 -0.505 0.000 1.035 97 S CA 1.851 59.563 58.200 -0.813 0.000 1.025 97 S CB -1.292 61.272 63.200 -1.060 0.000 0.902 97 S HN 0.656 nan 8.310 nan 0.000 0.440 98 I N 1.403 121.792 120.570 -0.302 0.000 2.335 98 I HA -0.200 3.970 4.170 -0.001 0.000 0.251 98 I C 2.690 178.720 176.117 -0.144 0.000 1.129 98 I CA 1.367 62.551 61.300 -0.194 0.000 1.402 98 I CB -0.448 37.474 38.000 -0.130 0.000 1.069 98 I HN 0.292 nan 8.210 nan 0.000 0.424 99 M N 0.200 119.736 119.600 -0.106 0.000 2.077 99 M HA -0.185 4.294 4.480 -0.001 0.000 0.261 99 M C 2.664 178.937 176.300 -0.046 0.000 1.070 99 M CA 2.193 57.491 55.300 -0.003 0.000 1.125 99 M CB -0.474 32.185 32.600 0.098 0.000 1.339 99 M HN 0.355 nan 8.290 nan 0.000 0.409 100 S N 0.787 116.320 115.700 -0.279 0.000 2.402 100 S HA -0.161 4.309 4.470 -0.001 0.000 0.233 100 S C 1.728 176.120 174.600 -0.348 0.000 1.030 100 S CA 1.245 59.028 58.200 -0.696 0.000 1.003 100 S CB -1.047 61.403 63.200 -1.249 0.000 0.813 100 S HN 0.470 nan 8.310 nan 0.000 0.477 101 I N 0.546 120.962 120.570 -0.256 0.000 2.163 101 I HA -0.120 4.049 4.170 -0.001 0.000 0.240 101 I C 2.339 178.385 176.117 -0.119 0.000 1.081 101 I CA 1.131 62.336 61.300 -0.159 0.000 1.353 101 I CB -0.475 37.448 38.000 -0.129 0.000 1.054 101 I HN 0.259 nan 8.210 nan 0.000 0.407 102 I N 0.916 121.431 120.570 -0.092 0.000 2.163 102 I HA -0.311 3.859 4.170 -0.001 0.000 0.243 102 I C 2.605 178.654 176.117 -0.115 0.000 1.085 102 I CA 1.582 62.842 61.300 -0.066 0.000 1.347 102 I CB -0.675 37.320 38.000 -0.009 0.000 1.044 102 I HN 0.254 nan 8.210 nan 0.000 0.408 103 E N -0.243 119.896 120.200 -0.101 0.000 2.118 103 E HA -0.230 4.119 4.350 -0.001 0.000 0.195 103 E C 2.065 178.538 176.600 -0.211 0.000 0.992 103 E CA 1.825 58.108 56.400 -0.195 0.000 0.804 103 E CB 0.013 29.710 29.700 -0.006 0.000 0.741 103 E HN 0.465 nan 8.360 nan 0.000 0.458 104 T N 0.925 115.386 114.554 -0.155 0.000 2.777 104 T HA -0.108 4.241 4.350 -0.001 0.000 0.266 104 T C 1.569 176.198 174.700 -0.119 0.000 1.040 104 T CA 1.165 63.188 62.100 -0.127 0.000 1.141 104 T CB -0.298 68.504 68.868 -0.110 0.000 0.868 104 T HN 0.159 nan 8.240 nan 0.000 0.444 105 N N 0.952 119.583 118.700 -0.115 0.000 2.061 105 N HA -0.095 4.645 4.740 -0.001 0.000 0.193 105 N C 1.835 177.272 175.510 -0.122 0.000 1.030 105 N CA 0.796 53.787 53.050 -0.098 0.000 0.856 105 N CB -0.847 37.591 38.487 -0.081 0.000 1.023 105 N HN 0.165 nan 8.380 nan 0.000 0.424 106 V N 1.000 120.797 119.914 -0.195 0.000 2.343 106 V HA -0.221 3.898 4.120 -0.001 0.000 0.247 106 V C 2.227 178.201 176.094 -0.199 0.000 1.051 106 V CA 1.574 63.724 62.300 -0.250 0.000 1.036 106 V CB -0.420 31.076 31.823 -0.544 0.000 0.654 106 V HN 0.379 nan 8.190 nan 0.000 0.451 107 Q N 0.038 119.726 119.800 -0.188 0.000 2.049 107 Q HA -0.149 4.190 4.340 -0.001 0.000 0.198 107 Q C 2.495 178.450 176.000 -0.075 0.000 0.971 107 Q CA 1.965 57.698 55.803 -0.116 0.000 0.833 107 Q CB -0.255 28.428 28.738 -0.091 0.000 0.896 107 Q HN 0.807 nan 8.270 nan 0.000 0.434 108 S N 0.934 116.591 115.700 -0.072 0.000 2.368 108 S HA -0.171 4.298 4.470 -0.001 0.000 0.224 108 S C 1.868 176.442 174.600 -0.043 0.000 1.029 108 S CA 1.160 59.331 58.200 -0.049 0.000 0.988 108 S CB -0.245 62.927 63.200 -0.046 0.000 0.838 108 S HN 0.211 nan 8.310 nan 0.000 0.462 109 K N 1.365 121.735 120.400 -0.051 0.000 2.097 109 K HA -0.126 4.194 4.320 -0.001 0.000 0.206 109 K C 2.156 178.737 176.600 -0.032 0.000 1.049 109 K CA 1.550 57.813 56.287 -0.039 0.000 0.933 109 K CB -0.163 32.311 32.500 -0.043 0.000 0.717 109 K HN 0.545 nan 8.250 nan 0.000 0.442 110 E N 0.387 120.564 120.200 -0.038 0.000 2.106 110 E HA -0.159 4.191 4.350 -0.001 0.000 0.192 110 E C 2.054 178.644 176.600 -0.018 0.000 0.984 110 E CA 0.976 57.361 56.400 -0.025 0.000 0.806 110 E CB 0.031 29.715 29.700 -0.027 0.000 0.750 110 E HN 0.323 nan 8.360 nan 0.000 0.458 111 L N 0.160 121.371 121.223 -0.021 0.000 2.023 111 L HA -0.092 4.247 4.340 -0.001 0.000 0.205 111 L C 2.686 179.549 176.870 -0.012 0.000 1.073 111 L CA 1.709 56.541 54.840 -0.014 0.000 0.745 111 L CB -0.432 41.618 42.059 -0.015 0.000 0.900 111 L HN 0.277 nan 8.230 nan 0.000 0.435 112 T N -5.072 109.473 114.554 -0.015 0.000 2.985 112 T HA 0.301 4.651 4.350 -0.001 0.000 0.254 112 T C 1.376 176.070 174.700 -0.011 0.000 1.021 112 T CA 0.534 62.627 62.100 -0.012 0.000 0.957 112 T CB 1.089 69.949 68.868 -0.012 0.000 1.047 112 T HN 0.443 nan 8.240 nan 0.000 0.511 113 G N 0.881 109.674 108.800 -0.013 0.000 2.199 113 G HA2 -0.215 3.745 3.960 -0.001 0.000 0.254 113 G HA3 -0.215 3.745 3.960 -0.001 0.000 0.254 113 G C 0.171 175.064 174.900 -0.012 0.000 0.982 113 G CA 0.301 45.394 45.100 -0.011 0.000 0.632 113 G HN 0.793 nan 8.290 nan 0.000 0.529 114 T N 3.302 117.847 114.554 -0.014 0.000 2.807 114 T HA 0.601 4.950 4.350 -0.001 0.000 0.279 114 T C -2.673 172.015 174.700 -0.021 0.000 0.993 114 T CA -1.016 61.076 62.100 -0.014 0.000 0.970 114 T CB 2.941 71.803 68.868 -0.010 0.000 0.950 114 T HN 0.044 nan 8.240 nan 0.000 0.441 115 P HA 0.223 nan 4.420 nan 0.000 0.271 115 P C 0.375 177.659 177.300 -0.027 0.000 1.216 115 P CA -0.221 62.860 63.100 -0.031 0.000 0.776 115 P CB 0.605 32.287 31.700 -0.030 0.000 0.881 116 A N 3.827 126.627 122.820 -0.034 0.000 1.969 116 A HA -0.006 4.314 4.320 -0.001 0.000 0.218 116 A C 0.979 178.550 177.584 -0.021 0.000 1.169 116 A CA 1.301 53.322 52.037 -0.027 0.000 0.635 116 A CB -0.616 18.364 19.000 -0.033 0.000 0.810 116 A HN 0.556 nan 8.150 nan 0.000 0.445 117 I N -1.010 119.545 120.570 -0.024 0.000 2.582 117 I HA 0.244 4.414 4.170 -0.001 0.000 0.292 117 I C 0.647 176.756 176.117 -0.013 0.000 1.066 117 I CA -0.041 61.248 61.300 -0.017 0.000 1.053 117 I CB 2.576 40.562 38.000 -0.024 0.000 1.241 117 I HN 0.130 nan 8.210 nan 0.000 0.421 118 S N 2.117 117.815 115.700 -0.003 0.000 2.687 118 S HA 0.408 4.877 4.470 -0.001 0.000 0.247 118 S C 0.137 174.745 174.600 0.013 0.000 1.050 118 S CA -0.366 57.837 58.200 0.005 0.000 1.063 118 S CB 0.301 63.507 63.200 0.011 0.000 1.039 118 S HN 0.655 nan 8.310 nan 0.000 0.580 119 E N 0.786 120.992 120.200 0.010 0.000 2.356 119 E HA 0.625 4.975 4.350 -0.001 0.000 0.275 119 E C -1.407 175.198 176.600 0.009 0.000 0.904 119 E CA -0.988 55.421 56.400 0.016 0.000 0.757 119 E CB 2.887 32.598 29.700 0.018 0.000 1.232 119 E HN 0.261 nan 8.360 nan 0.000 0.442 120 V N -1.065 118.855 119.914 0.009 0.000 2.914 120 V HA 0.721 4.840 4.120 -0.001 0.000 0.314 120 V C -0.611 175.485 176.094 0.003 0.000 1.084 120 V CA -0.873 61.428 62.300 0.002 0.000 0.963 120 V CB 1.726 33.540 31.823 -0.015 0.000 1.025 120 V HN 0.402 nan 8.190 nan 0.000 0.432 121 V N 2.426 122.340 119.914 -0.001 0.000 2.513 121 V HA 0.620 4.739 4.120 -0.001 0.000 0.299 121 V C -0.366 175.718 176.094 -0.017 0.000 1.035 121 V CA -0.453 61.844 62.300 -0.004 0.000 0.889 121 V CB 1.912 33.734 31.823 -0.003 0.000 0.988 121 V HN 0.780 nan 8.190 nan 0.000 0.440 122 V N 7.096 127.004 119.914 -0.010 0.000 2.376 122 V HA 0.416 4.535 4.120 -0.001 0.000 0.287 122 V C -2.220 173.877 176.094 0.006 0.000 1.015 122 V CA -1.539 60.746 62.300 -0.025 0.000 0.834 122 V CB 1.807 33.632 31.823 0.003 0.000 1.001 122 V HN 0.731 nan 8.190 nan 0.000 0.428 123 P HA 0.331 nan 4.420 nan 0.000 0.277 123 P C 0.310 177.625 177.300 0.024 0.000 1.271 123 P CA -0.503 62.600 63.100 0.006 0.000 0.795 123 P CB 0.581 32.281 31.700 -0.000 0.000 1.101 124 M N -2.395 117.217 119.600 0.020 0.000 2.253 124 M HA -0.164 4.315 4.480 -0.001 0.000 0.199 124 M C -0.185 176.138 176.300 0.038 0.000 0.342 124 M CA 0.606 55.922 55.300 0.027 0.000 0.417 124 M CB -1.548 31.071 32.600 0.031 0.000 1.338 124 M HN 0.253 nan 8.290 nan 0.000 0.920 125 I N 0.598 121.184 120.570 0.026 0.000 2.496 125 I HA 0.029 4.198 4.170 -0.001 0.000 0.285 125 I C 1.199 177.302 176.117 -0.024 0.000 1.080 125 I CA 0.896 62.205 61.300 0.014 0.000 1.404 125 I CB 1.298 39.289 38.000 -0.015 0.000 1.403 125 I HN 0.379 nan 8.210 nan 0.000 0.539 126 E N 2.425 122.603 120.200 -0.037 0.000 2.500 126 E HA 0.046 4.395 4.350 -0.001 0.000 0.217 126 E C -0.078 176.482 176.600 -0.067 0.000 0.848 126 E CA 0.116 56.490 56.400 -0.044 0.000 1.217 126 E CB 0.840 30.526 29.700 -0.023 0.000 1.217 126 E HN 0.815 nan 8.360 nan 0.000 0.573 127 T N -4.081 110.419 114.554 -0.089 0.000 2.883 127 T HA 0.495 4.844 4.350 -0.001 0.000 0.296 127 T C 1.015 175.638 174.700 -0.129 0.000 1.117 127 T CA -0.361 61.681 62.100 -0.098 0.000 1.006 127 T CB 1.436 70.250 68.868 -0.090 0.000 1.191 127 T HN -0.048 nan 8.240 nan 0.000 0.508 128 G N 0.144 108.880 108.800 -0.106 0.000 2.448 128 G HA2 -0.091 3.868 3.960 -0.001 0.000 0.218 128 G HA3 -0.091 3.868 3.960 -0.001 0.000 0.218 128 G C 1.242 176.076 174.900 -0.111 0.000 1.135 128 G CA 0.836 45.878 45.100 -0.096 0.000 0.784 128 G HN 0.874 nan 8.290 nan 0.000 0.543 129 K N 0.496 120.830 120.400 -0.110 0.000 2.025 129 K HA -0.064 4.255 4.320 -0.001 0.000 0.207 129 K C 2.218 178.668 176.600 -0.250 0.000 1.049 129 K CA 1.477 57.689 56.287 -0.125 0.000 0.933 129 K CB -0.218 32.221 32.500 -0.102 0.000 0.714 129 K HN 0.341 nan 8.250 nan 0.000 0.438 130 E N 0.619 120.628 120.200 -0.318 0.000 2.068 130 E HA -0.253 4.096 4.350 -0.001 0.000 0.207 130 E C 1.911 178.037 176.600 -0.790 0.000 1.032 130 E CA 2.389 58.436 56.400 -0.587 0.000 0.839 130 E CB -0.196 29.279 29.700 -0.375 0.000 0.758 130 E HN 0.375 nan 8.360 nan 0.000 0.457 131 I N 0.309 120.598 120.570 -0.469 0.000 2.194 131 I HA -0.326 3.844 4.170 -0.001 0.000 0.246 131 I C 2.469 178.394 176.117 -0.320 0.000 1.093 131 I CA 1.104 62.148 61.300 -0.428 0.000 1.355 131 I CB -0.362 37.210 38.000 -0.713 0.000 1.046 131 I HN 0.071 nan 8.210 nan 0.000 0.413 132 S N -0.058 115.517 115.700 -0.208 0.000 2.371 132 S HA -0.156 4.313 4.470 -0.001 0.000 0.224 132 S C 1.892 176.454 174.600 -0.064 0.000 1.029 132 S CA 0.961 59.164 58.200 0.005 0.000 0.978 132 S CB -0.186 63.062 63.200 0.080 0.000 0.833 132 S HN 0.421 nan 8.310 nan 0.000 0.466 133 E N 0.051 120.116 120.200 -0.225 0.000 2.097 133 E HA -0.167 4.182 4.350 -0.001 0.000 0.196 133 E C 1.480 178.079 176.600 -0.001 0.000 1.000 133 E CA 1.312 57.596 56.400 -0.193 0.000 0.804 133 E CB -0.123 29.340 29.700 -0.395 0.000 0.740 133 E HN 0.446 nan 8.360 nan 0.000 0.454 134 F N 0.303 120.243 119.950 -0.016 0.000 2.293 134 F HA -0.051 4.475 4.527 -0.001 0.000 0.297 134 F C 2.471 178.267 175.800 -0.008 0.000 1.089 134 F CA 0.685 58.673 58.000 -0.019 0.000 1.377 134 F CB -0.962 38.016 39.000 -0.037 0.000 1.051 134 F HN -0.009 nan 8.300 nan 0.000 0.511 135 Q N 0.959 120.864 119.800 0.174 0.000 2.135 135 Q HA -0.183 4.156 4.340 -0.001 0.000 0.204 135 Q C 1.539 177.588 176.000 0.082 0.000 0.981 135 Q CA 1.971 57.849 55.803 0.125 0.000 0.856 135 Q CB -0.445 28.388 28.738 0.159 0.000 0.902 135 Q HN 0.246 nan 8.270 nan 0.000 0.425 136 D N -0.886 119.560 120.400 0.077 0.000 2.144 136 D HA -0.113 4.527 4.640 -0.001 0.000 0.200 136 D C 1.854 178.186 176.300 0.053 0.000 0.978 136 D CA 0.991 55.021 54.000 0.049 0.000 0.833 136 D CB -0.169 40.656 40.800 0.041 0.000 0.961 136 D HN 0.185 nan 8.370 nan 0.000 0.470 137 R N 0.677 121.231 120.500 0.089 0.000 2.066 137 R HA -0.084 4.256 4.340 -0.001 0.000 0.232 137 R C 2.175 178.499 176.300 0.039 0.000 1.131 137 R CA 0.863 57.010 56.100 0.078 0.000 0.955 137 R CB -0.531 29.844 30.300 0.125 0.000 0.851 137 R HN -0.040 nan 8.270 nan 0.000 0.432 138 V N 1.743 121.681 119.914 0.041 0.000 2.231 138 V HA -0.340 3.779 4.120 -0.001 0.000 0.248 138 V C 1.874 177.969 176.094 0.002 0.000 1.054 138 V CA 2.260 64.566 62.300 0.010 0.000 1.015 138 V CB -0.704 31.128 31.823 0.015 0.000 0.638 138 V HN 0.452 nan 8.190 nan 0.000 0.444 139 N N 0.589 119.292 118.700 0.005 0.000 2.192 139 N HA -0.164 4.575 4.740 -0.001 0.000 0.188 139 N C 2.096 177.604 175.510 -0.004 0.000 1.013 139 N CA 1.903 54.948 53.050 -0.008 0.000 0.863 139 N CB -0.434 38.043 38.487 -0.017 0.000 0.990 139 N HN 0.680 nan 8.380 nan 0.000 0.430 140 S N -0.288 115.415 115.700 0.004 0.000 2.453 140 S HA 0.007 4.477 4.470 -0.001 0.000 0.231 140 S C 1.933 176.532 174.600 -0.002 0.000 1.005 140 S CA 0.482 58.684 58.200 0.003 0.000 0.949 140 S CB -0.168 63.038 63.200 0.010 0.000 0.774 140 S HN 0.035 nan 8.310 nan 0.000 0.510 141 V N 1.339 121.251 119.914 -0.004 0.000 2.788 141 V HA 0.010 4.130 4.120 -0.001 0.000 0.251 141 V C 2.547 178.646 176.094 0.009 0.000 1.068 141 V CA 1.030 63.327 62.300 -0.006 0.000 1.090 141 V CB -0.295 31.517 31.823 -0.019 0.000 0.710 141 V HN 0.439 nan 8.190 nan 0.000 0.467 142 V N 0.273 120.190 119.914 0.004 0.000 2.295 142 V HA -0.252 3.867 4.120 -0.001 0.000 0.246 142 V C 2.320 178.425 176.094 0.018 0.000 1.049 142 V CA 2.151 64.457 62.300 0.011 0.000 1.024 142 V CB -0.683 31.138 31.823 -0.003 0.000 0.648 142 V HN 0.518 nan 8.190 nan 0.000 0.447 143 D N -0.338 120.066 120.400 0.007 0.000 2.103 143 D HA -0.252 4.387 4.640 -0.001 0.000 0.190 143 D C 2.121 178.423 176.300 0.004 0.000 0.997 143 D CA 1.756 55.758 54.000 0.004 0.000 0.833 143 D CB -0.361 40.437 40.800 -0.003 0.000 0.961 143 D HN 0.317 nan 8.370 nan 0.000 0.447 144 M N 0.347 119.948 119.600 0.001 0.000 2.106 144 M HA -0.148 4.331 4.480 -0.001 0.000 0.259 144 M C 2.098 178.399 176.300 0.001 0.000 1.068 144 M CA 1.993 57.287 55.300 -0.011 0.000 1.100 144 M CB -0.310 32.280 32.600 -0.016 0.000 1.351 144 M HN 0.088 nan 8.290 nan 0.000 0.404 145 G N -0.107 108.728 108.800 0.058 0.000 2.418 145 G HA2 -0.222 3.738 3.960 -0.001 0.000 0.217 145 G HA3 -0.222 3.738 3.960 -0.001 0.000 0.217 145 G C 1.171 176.157 174.900 0.144 0.000 1.158 145 G CA 0.884 46.086 45.100 0.170 0.000 0.771 145 G HN 0.434 nan 8.290 nan 0.000 0.545 146 N N 0.381 119.126 118.700 0.075 0.000 2.459 146 N HA -0.014 4.725 4.740 -0.001 0.000 0.181 146 N C 1.959 177.476 175.510 0.011 0.000 1.046 146 N CA 0.642 53.724 53.050 0.053 0.000 0.904 146 N CB -0.036 38.471 38.487 0.034 0.000 0.964 146 N HN 0.191 nan 8.380 nan 0.000 0.444 147 K N 0.773 121.163 120.400 -0.018 0.000 2.155 147 K HA 0.126 4.445 4.320 -0.001 0.000 0.203 147 K C 1.327 177.870 176.600 -0.094 0.000 1.052 147 K CA 0.775 57.034 56.287 -0.047 0.000 0.948 147 K CB 0.183 32.651 32.500 -0.052 0.000 0.728 147 K HN 0.165 nan 8.250 nan 0.000 0.448 148 N N -1.298 117.304 118.700 -0.163 0.000 2.348 148 N HA 0.020 4.760 4.740 -0.001 0.000 0.183 148 N C -0.567 174.647 175.510 -0.493 0.000 1.094 148 N CA 0.337 53.172 53.050 -0.360 0.000 0.885 148 N CB 0.605 38.768 38.487 -0.540 0.000 1.065 148 N HN 0.039 nan 8.380 nan 0.000 0.472 149 Y N 0.700 120.993 120.300 -0.011 0.000 2.446 149 Y HA 0.270 4.820 4.550 -0.001 0.000 0.338 149 Y C 1.378 177.273 175.900 -0.007 0.000 1.055 149 Y CA -0.826 57.269 58.100 -0.008 0.000 1.101 149 Y CB 1.732 40.188 38.460 -0.007 0.000 1.221 149 Y HN -0.309 nan 8.280 nan 0.000 0.460 150 K N 0.275 120.775 120.400 0.167 0.000 2.025 150 K HA -0.019 4.301 4.320 -0.001 0.000 0.207 150 K C 0.189 176.841 176.600 0.086 0.000 1.049 150 K CA 1.103 57.445 56.287 0.090 0.000 0.933 150 K CB -0.153 32.389 32.500 0.071 0.000 0.714 150 K HN 0.694 nan 8.250 nan 0.000 0.438 151 T N 2.955 117.569 114.554 0.100 0.000 2.751 151 T HA 0.085 4.434 4.350 -0.001 0.000 0.290 151 T C -0.424 174.309 174.700 0.054 0.000 0.919 151 T CA -0.224 61.906 62.100 0.050 0.000 1.136 151 T CB 0.520 69.390 68.868 0.005 0.000 0.875 151 T HN 0.016 nan 8.240 nan 0.000 0.532 152 K N 3.385 123.807 120.400 0.037 0.000 2.154 152 K HA 0.553 4.873 4.320 -0.001 0.000 0.264 152 K C -0.139 176.470 176.600 0.014 0.000 1.008 152 K CA -0.488 55.818 56.287 0.033 0.000 0.937 152 K CB 1.188 33.702 32.500 0.024 0.000 1.002 152 K HN 0.485 nan 8.250 nan 0.000 0.469 153 L N 1.507 122.738 121.223 0.012 0.000 2.401 153 L HA 0.336 4.676 4.340 -0.001 0.000 0.266 153 L C -0.304 176.564 176.870 -0.004 0.000 0.991 153 L CA -1.083 53.755 54.840 -0.002 0.000 0.818 153 L CB 2.161 44.215 42.059 -0.008 0.000 1.321 153 L HN 0.452 nan 8.230 nan 0.000 0.413 154 D N 1.824 122.218 120.400 -0.010 0.000 2.329 154 D HA 0.384 5.024 4.640 -0.001 0.000 0.246 154 D C -0.096 176.189 176.300 -0.026 0.000 1.111 154 D CA -0.481 53.510 54.000 -0.015 0.000 0.941 154 D CB 1.663 42.454 40.800 -0.015 0.000 1.169 154 D HN 0.072 nan 8.370 nan 0.000 0.441 155 L N 1.998 123.198 121.223 -0.038 0.000 2.483 155 L HA -0.014 4.326 4.340 -0.001 0.000 0.275 155 L C 1.170 177.984 176.870 -0.094 0.000 1.220 155 L CA 0.312 55.116 54.840 -0.061 0.000 0.833 155 L CB -0.225 41.792 42.059 -0.070 0.000 1.102 155 L HN 0.341 nan 8.230 nan 0.000 0.490 156 N N -0.284 118.347 118.700 -0.116 0.000 2.708 156 N HA -0.236 4.503 4.740 -0.001 0.000 0.251 156 N C 1.173 176.650 175.510 -0.054 0.000 1.123 156 N CA 1.137 54.102 53.050 -0.141 0.000 0.739 156 N CB -1.185 37.071 38.487 -0.385 0.000 1.113 156 N HN 0.816 nan 8.380 nan 0.000 0.561 157 S N -2.056 113.625 115.700 -0.033 0.000 2.470 157 S HA 0.129 4.598 4.470 -0.001 0.000 0.225 157 S C 0.719 175.318 174.600 -0.001 0.000 1.006 157 S CA 0.254 58.447 58.200 -0.010 0.000 0.934 157 S CB 0.582 63.774 63.200 -0.013 0.000 0.778 157 S HN 0.079 nan 8.310 nan 0.000 0.517 158 V N 2.774 122.685 119.914 -0.005 0.000 2.357 158 V HA 0.523 4.642 4.120 -0.001 0.000 0.284 158 V C -0.060 176.046 176.094 0.021 0.000 1.018 158 V CA -0.712 61.590 62.300 0.003 0.000 0.841 158 V CB 1.235 33.052 31.823 -0.011 0.000 0.991 158 V HN 0.322 nan 8.190 nan 0.000 0.437 159 R N 4.158 124.682 120.500 0.041 0.000 2.778 159 R HA 0.614 4.953 4.340 -0.001 0.000 0.277 159 R C -0.993 175.351 176.300 0.074 0.000 0.977 159 R CA -1.020 55.127 56.100 0.078 0.000 0.950 159 R CB 2.288 32.651 30.300 0.106 0.000 1.165 159 R HN 0.470 nan 8.270 nan 0.000 0.474 160 I N 3.711 124.341 120.570 0.100 0.000 2.416 160 I HA 0.182 4.352 4.170 -0.001 0.000 0.288 160 I C 0.501 176.649 176.117 0.051 0.000 1.051 160 I CA -0.021 61.320 61.300 0.069 0.000 1.375 160 I CB 0.391 38.427 38.000 0.059 0.000 1.407 160 I HN 0.444 nan 8.210 nan 0.000 0.516 161 I N 8.877 129.461 120.570 0.023 0.000 2.312 161 I HA 0.253 4.422 4.170 -0.001 0.000 0.290 161 I C -2.144 173.964 176.117 -0.015 0.000 1.008 161 I CA -1.725 59.576 61.300 0.001 0.000 1.226 161 I CB 1.682 39.679 38.000 -0.005 0.000 1.371 161 I HN 0.295 nan 8.210 nan 0.000 0.468 162 P HA 0.210 nan 4.420 nan 0.000 0.288 162 P C -1.083 176.188 177.300 -0.048 0.000 1.267 162 P CA -0.599 62.472 63.100 -0.048 0.000 0.815 162 P CB 1.930 33.570 31.700 -0.100 0.000 0.989 163 L N 5.103 126.308 121.223 -0.030 0.000 2.276 163 L HA 0.350 4.689 4.340 -0.001 0.000 0.286 163 L C -1.010 175.839 176.870 -0.034 0.000 1.024 163 L CA -0.621 54.199 54.840 -0.034 0.000 0.826 163 L CB 0.953 43.002 42.059 -0.018 0.000 1.211 163 L HN 0.048 nan 8.230 nan 0.000 0.422 164 V N 5.119 125.000 119.914 -0.054 0.000 2.394 164 V HA 0.476 4.595 4.120 -0.001 0.000 0.282 164 V C 0.450 176.515 176.094 -0.049 0.000 1.031 164 V CA -0.352 61.914 62.300 -0.056 0.000 0.881 164 V CB 1.234 33.008 31.823 -0.081 0.000 0.982 164 V HN 0.831 nan 8.190 nan 0.000 0.451 165 E N 1.205 121.387 120.200 -0.030 0.000 2.641 165 E HA 0.136 4.486 4.350 -0.001 0.000 0.224 165 E C -0.480 176.122 176.600 0.003 0.000 0.951 165 E CA -0.139 56.252 56.400 -0.015 0.000 1.102 165 E CB 0.803 30.506 29.700 0.005 0.000 1.091 165 E HN 0.783 nan 8.360 nan 0.000 0.507 166 D N 0.282 120.673 120.400 -0.015 0.000 2.329 166 D HA 0.099 4.738 4.640 -0.001 0.000 0.232 166 D C 1.083 177.310 176.300 -0.123 0.000 1.088 166 D CA -0.271 53.727 54.000 -0.004 0.000 0.835 166 D CB 1.630 42.426 40.800 -0.007 0.000 1.078 166 D HN -0.239 nan 8.370 nan 0.000 0.495 167 V N 6.284 126.039 119.914 -0.265 0.000 2.255 167 V HA -0.133 3.986 4.120 -0.001 0.000 0.247 167 V C -0.777 175.083 176.094 -0.391 0.000 1.051 167 V CA 1.754 63.783 62.300 -0.452 0.000 1.018 167 V CB -1.231 30.085 31.823 -0.846 0.000 0.641 167 V HN 0.690 nan 8.190 nan 0.000 0.445 168 P HA -0.149 nan 4.420 nan 0.000 0.219 168 P C 1.527 178.730 177.300 -0.161 0.000 1.146 168 P CA 2.092 65.044 63.100 -0.245 0.000 0.808 168 P CB -0.090 31.500 31.700 -0.184 0.000 0.779 169 A N 0.034 122.769 122.820 -0.141 0.000 1.898 169 A HA -0.108 4.211 4.320 -0.001 0.000 0.216 169 A C 2.355 179.866 177.584 -0.122 0.000 1.181 169 A CA 1.248 53.219 52.037 -0.111 0.000 0.620 169 A CB -1.545 17.401 19.000 -0.090 0.000 0.819 169 A HN 0.135 nan 8.150 nan 0.000 0.442 170 L N -0.757 120.385 121.223 -0.136 0.000 2.141 170 L HA -0.124 4.216 4.340 -0.001 0.000 0.209 170 L C 2.980 179.773 176.870 -0.130 0.000 1.094 170 L CA 0.870 55.632 54.840 -0.131 0.000 0.763 170 L CB -0.466 41.514 42.059 -0.132 0.000 0.908 170 L HN 0.404 nan 8.230 nan 0.000 0.437 171 A N -0.105 122.630 122.820 -0.143 0.000 2.019 171 A HA -0.153 4.167 4.320 -0.001 0.000 0.219 171 A C 0.971 178.493 177.584 -0.103 0.000 1.164 171 A CA 1.499 53.456 52.037 -0.132 0.000 0.644 171 A CB -0.475 18.439 19.000 -0.144 0.000 0.805 171 A HN 0.519 nan 8.150 nan 0.000 0.449 172 N N -1.146 117.495 118.700 -0.097 0.000 2.723 172 N HA 0.322 5.062 4.740 -0.001 0.000 0.290 172 N C 0.256 175.711 175.510 -0.092 0.000 1.882 172 N CA -0.237 52.768 53.050 -0.076 0.000 0.851 172 N CB 0.738 39.187 38.487 -0.062 0.000 1.234 172 N HN 0.251 nan 8.380 nan 0.000 0.491 173 I N 0.979 121.485 120.570 -0.107 0.000 2.756 173 I HA -0.199 3.970 4.170 -0.001 0.000 0.262 173 I C 1.650 177.630 176.117 -0.227 0.000 1.225 173 I CA 1.377 62.584 61.300 -0.155 0.000 1.472 173 I CB 0.056 37.964 38.000 -0.154 0.000 1.094 173 I HN 0.404 nan 8.210 nan 0.000 0.454 174 D N 0.127 120.426 120.400 -0.169 0.000 2.219 174 D HA -0.239 4.401 4.640 -0.001 0.000 0.205 174 D C 1.986 178.165 176.300 -0.202 0.000 0.970 174 D CA 0.891 54.760 54.000 -0.219 0.000 0.851 174 D CB -0.443 40.406 40.800 0.082 0.000 0.943 174 D HN 0.406 nan 8.370 nan 0.000 0.488 175 R N 0.345 120.773 120.500 -0.120 0.000 2.075 175 R HA 0.041 4.380 4.340 -0.001 0.000 0.232 175 R C 2.692 178.923 176.300 -0.115 0.000 1.126 175 R CA 0.744 56.797 56.100 -0.079 0.000 0.963 175 R CB -0.231 30.035 30.300 -0.056 0.000 0.858 175 R HN 0.209 nan 8.270 nan 0.000 0.435 176 I N 0.759 121.230 120.570 -0.165 0.000 2.252 176 I HA -0.271 3.898 4.170 -0.001 0.000 0.245 176 I C 2.085 178.073 176.117 -0.214 0.000 1.102 176 I CA 1.257 62.456 61.300 -0.168 0.000 1.385 176 I CB -0.096 37.798 38.000 -0.176 0.000 1.064 176 I HN 0.115 nan 8.210 nan 0.000 0.414 177 L N -0.243 120.730 121.223 -0.416 0.000 1.988 177 L HA -0.223 4.116 4.340 -0.001 0.000 0.207 177 L C 2.246 178.868 176.870 -0.413 0.000 1.071 177 L CA 1.228 55.654 54.840 -0.689 0.000 0.744 177 L CB -0.872 40.235 42.059 -1.587 0.000 0.893 177 L HN 0.182 nan 8.230 nan 0.000 0.433 178 D N 0.022 120.259 120.400 -0.272 0.000 2.170 178 D HA -0.278 4.361 4.640 -0.001 0.000 0.193 178 D C 2.080 178.453 176.300 0.120 0.000 1.004 178 D CA 1.649 55.736 54.000 0.145 0.000 0.860 178 D CB 0.030 40.933 40.800 0.172 0.000 0.931 178 D HN 0.403 nan 8.370 nan 0.000 0.448 179 E N -1.078 119.142 120.200 0.035 0.000 2.072 179 E HA -0.200 4.150 4.350 -0.001 0.000 0.190 179 E C 2.073 178.724 176.600 0.085 0.000 0.982 179 E CA 0.646 57.073 56.400 0.045 0.000 0.803 179 E CB 0.016 29.717 29.700 0.002 0.000 0.755 179 E HN 0.276 nan 8.360 nan 0.000 0.453 180 H N -0.237 118.811 119.070 -0.036 0.000 2.293 180 H HA -0.209 4.346 4.556 -0.001 0.000 0.300 180 H C 1.835 177.182 175.328 0.032 0.000 1.082 180 H CA 2.197 58.229 56.048 -0.026 0.000 1.308 180 H CB -0.761 28.964 29.762 -0.062 0.000 1.375 180 H HN 0.287 nan 8.280 nan 0.000 0.495 181 Y N 1.158 121.376 120.300 -0.136 0.000 2.165 181 Y HA -0.178 4.371 4.550 -0.001 0.000 0.286 181 Y C 2.386 178.221 175.900 -0.108 0.000 1.155 181 Y CA 2.173 60.184 58.100 -0.148 0.000 1.164 181 Y CB -0.172 38.353 38.460 0.108 0.000 0.978 181 Y HN 0.341 nan 8.280 nan 0.000 0.513 182 E N -0.012 120.172 120.200 -0.027 0.000 2.107 182 E HA -0.133 4.217 4.350 -0.001 0.000 0.191 182 E C 2.142 178.674 176.600 -0.114 0.000 0.982 182 E CA 1.518 57.865 56.400 -0.088 0.000 0.809 182 E CB -0.188 29.533 29.700 0.034 0.000 0.756 182 E HN 0.558 nan 8.360 nan 0.000 0.459 183 I N 0.948 121.481 120.570 -0.062 0.000 2.202 183 I HA -0.226 3.943 4.170 -0.001 0.000 0.242 183 I C 2.148 178.225 176.117 -0.067 0.000 1.091 183 I CA 0.789 62.066 61.300 -0.038 0.000 1.368 183 I CB -0.133 37.876 38.000 0.015 0.000 1.058 183 I HN 0.042 nan 8.210 nan 0.000 0.410 184 E N 0.994 121.121 120.200 -0.122 0.000 2.097 184 E HA -0.289 4.061 4.350 -0.001 0.000 0.196 184 E C 2.063 178.562 176.600 -0.168 0.000 1.000 184 E CA 1.351 57.676 56.400 -0.124 0.000 0.804 184 E CB -0.331 29.183 29.700 -0.311 0.000 0.740 184 E HN 0.399 nan 8.360 nan 0.000 0.454 185 K N 0.693 120.905 120.400 -0.314 0.000 2.097 185 K HA -0.111 4.209 4.320 -0.001 0.000 0.206 185 K C 2.162 178.673 176.600 -0.148 0.000 1.049 185 K CA 1.497 57.599 56.287 -0.309 0.000 0.933 185 K CB -0.073 32.149 32.500 -0.463 0.000 0.717 185 K HN 0.126 nan 8.250 nan 0.000 0.442 186 S N 0.079 115.714 115.700 -0.109 0.000 2.515 186 S HA -0.053 4.417 4.470 -0.001 0.000 0.231 186 S C 1.308 175.889 174.600 -0.033 0.000 0.987 186 S CA 0.736 58.902 58.200 -0.058 0.000 0.936 186 S CB -0.030 63.145 63.200 -0.043 0.000 0.766 186 S HN 0.243 nan 8.310 nan 0.000 0.528 187 K N 0.570 120.956 120.400 -0.024 0.000 2.404 187 K HA 0.283 4.602 4.320 -0.001 0.000 0.194 187 K C 0.993 177.600 176.600 0.013 0.000 1.023 187 K CA 0.337 56.625 56.287 0.002 0.000 1.094 187 K CB 0.044 32.556 32.500 0.021 0.000 0.841 187 K HN 0.516 nan 8.250 nan 0.000 0.523 188 G N 2.171 110.971 108.800 -0.001 0.000 2.149 188 G HA2 -0.288 3.672 3.960 -0.001 0.000 0.235 188 G HA3 -0.288 3.672 3.960 -0.001 0.000 0.235 188 G C -0.455 174.478 174.900 0.055 0.000 1.018 188 G CA 0.002 45.106 45.100 0.007 0.000 0.728 188 G HN 0.623 nan 8.290 nan 0.000 0.508 189 H N -0.331 118.686 119.070 -0.089 0.000 2.786 189 H HA 0.546 5.101 4.556 -0.001 0.000 0.284 189 H C -0.257 174.990 175.328 -0.135 0.000 1.104 189 H CA -1.002 54.995 56.048 -0.085 0.000 1.339 189 H CB 0.359 30.080 29.762 -0.069 0.000 1.427 189 H HN 0.190 nan 8.280 nan 0.000 0.497 190 I N 6.463 126.920 120.570 -0.188 0.000 2.312 190 I HA 0.095 4.265 4.170 -0.001 0.000 0.291 190 I C 0.129 176.113 176.117 -0.221 0.000 1.031 190 I CA -0.427 60.724 61.300 -0.247 0.000 1.293 190 I CB 1.211 39.154 38.000 -0.096 0.000 1.403 190 I HN 0.399 nan 8.210 nan 0.000 0.484 191 L N 7.307 128.405 121.223 -0.208 0.000 2.361 191 L HA 0.161 4.500 4.340 -0.001 0.000 0.278 191 L C 0.977 177.902 176.870 0.092 0.000 1.113 191 L CA -0.175 54.623 54.840 -0.071 0.000 0.849 191 L CB 0.469 42.554 42.059 0.043 0.000 1.155 191 L HN 0.577 nan 8.230 nan 0.000 0.452 192 K N 1.398 121.831 120.400 0.055 0.000 2.361 192 K HA 0.082 4.402 4.320 -0.001 0.000 0.194 192 K C -0.756 175.881 176.600 0.062 0.000 1.032 192 K CA 0.202 56.525 56.287 0.060 0.000 1.048 192 K CB 0.254 32.783 32.500 0.048 0.000 0.842 192 K HN 0.824 nan 8.250 nan 0.000 0.526 193 D N -1.851 118.595 120.400 0.077 0.000 2.683 193 D HA 0.417 5.056 4.640 -0.001 0.000 0.246 193 D C -1.571 174.786 176.300 0.095 0.000 1.238 193 D CA -0.919 53.130 54.000 0.081 0.000 0.759 193 D CB 1.070 41.909 40.800 0.066 0.000 1.349 193 D HN -0.175 nan 8.370 nan 0.000 0.426 194 L N -0.392 120.884 121.223 0.090 0.000 2.472 194 L HA 0.670 5.009 4.340 -0.001 0.000 0.260 194 L C -1.659 175.231 176.870 0.033 0.000 0.963 194 L CA -0.522 54.367 54.840 0.082 0.000 0.829 194 L CB 2.206 44.329 42.059 0.106 0.000 1.348 194 L HN 0.719 nan 8.230 nan 0.000 0.408 195 R N 4.644 125.157 120.500 0.023 0.000 2.562 195 R HA 0.881 5.221 4.340 -0.001 0.000 0.298 195 R C -1.221 175.059 176.300 -0.032 0.000 0.961 195 R CA -0.621 55.471 56.100 -0.012 0.000 0.881 195 R CB 1.378 31.679 30.300 0.001 0.000 1.159 195 R HN 0.792 nan 8.270 nan 0.000 0.450 196 I N 0.532 121.060 120.570 -0.070 0.000 2.969 196 I HA 0.552 4.721 4.170 -0.001 0.000 0.307 196 I C -1.433 174.626 176.117 -0.096 0.000 1.149 196 I CA -1.262 59.986 61.300 -0.086 0.000 1.008 196 I CB 2.594 40.523 38.000 -0.118 0.000 1.232 196 I HN 0.642 nan 8.210 nan 0.000 0.435 197 M N 5.151 124.697 119.600 -0.089 0.000 2.321 197 M HA 0.615 5.095 4.480 -0.001 0.000 0.315 197 M C -1.980 174.261 176.300 -0.097 0.000 1.052 197 M CA -0.542 54.700 55.300 -0.095 0.000 0.936 197 M CB 1.954 34.513 32.600 -0.069 0.000 1.639 197 M HN 0.646 nan 8.290 nan 0.000 0.433 198 I N 4.154 124.654 120.570 -0.117 0.000 2.389 198 I HA 0.489 4.658 4.170 -0.001 0.000 0.288 198 I C -0.097 175.953 176.117 -0.112 0.000 0.999 198 I CA -0.504 60.730 61.300 -0.109 0.000 1.129 198 I CB 1.968 39.902 38.000 -0.110 0.000 1.288 198 I HN 0.798 nan 8.210 nan 0.000 0.444 199 A N 6.479 129.247 122.820 -0.086 0.000 2.354 199 A HA 0.391 4.711 4.320 -0.001 0.000 0.281 199 A C 1.043 178.568 177.584 -0.098 0.000 1.174 199 A CA -0.290 51.700 52.037 -0.078 0.000 0.828 199 A CB 0.304 19.279 19.000 -0.042 0.000 1.099 199 A HN 0.725 nan 8.150 nan 0.000 0.516 200 R N 1.701 122.127 120.500 -0.123 0.000 2.254 200 R HA 0.023 4.362 4.340 -0.001 0.000 0.195 200 R C 1.556 177.772 176.300 -0.140 0.000 0.957 200 R CA 1.305 57.323 56.100 -0.136 0.000 1.024 200 R CB -0.042 30.160 30.300 -0.163 0.000 0.952 200 R HN 0.766 nan 8.270 nan 0.000 0.484 201 S N 0.945 116.588 115.700 -0.095 0.000 2.327 201 S HA -0.058 4.412 4.470 -0.001 0.000 0.213 201 S C 1.305 175.877 174.600 -0.046 0.000 1.032 201 S CA 0.802 58.968 58.200 -0.057 0.000 0.960 201 S CB -0.166 63.040 63.200 0.011 0.000 0.900 201 S HN 0.175 nan 8.310 nan 0.000 0.469 202 D N 1.515 121.908 120.400 -0.013 0.000 2.178 202 D HA -0.067 4.572 4.640 -0.001 0.000 0.201 202 D C 2.288 178.572 176.300 -0.027 0.000 0.980 202 D CA 1.594 55.592 54.000 -0.003 0.000 0.842 202 D CB -0.495 40.316 40.800 0.019 0.000 0.948 202 D HN 0.558 nan 8.370 nan 0.000 0.472 203 T N -0.973 113.555 114.554 -0.044 0.000 2.746 203 T HA -0.082 4.268 4.350 -0.001 0.000 0.267 203 T C 2.102 176.745 174.700 -0.096 0.000 1.039 203 T CA 1.492 63.575 62.100 -0.028 0.000 1.142 203 T CB -0.377 68.447 68.868 -0.073 0.000 0.866 203 T HN 0.079 nan 8.240 nan 0.000 0.444 204 A N 1.880 124.548 122.820 -0.253 0.000 1.873 204 A HA 0.102 4.422 4.320 -0.001 0.000 0.215 204 A C 2.483 179.885 177.584 -0.302 0.000 1.186 204 A CA 1.815 53.556 52.037 -0.493 0.000 0.616 204 A CB -0.860 17.494 19.000 -1.077 0.000 0.823 204 A HN 0.574 nan 8.150 nan 0.000 0.442 205 M N -0.422 119.114 119.600 -0.107 0.000 2.159 205 M HA -0.126 4.353 4.480 -0.001 0.000 0.263 205 M C 1.898 178.136 176.300 -0.104 0.000 1.063 205 M CA 2.162 57.506 55.300 0.074 0.000 1.110 205 M CB -0.102 32.419 32.600 -0.131 0.000 1.374 205 M HN 0.336 nan 8.290 nan 0.000 0.411 206 S N -0.961 114.609 115.700 -0.217 0.000 2.414 206 S HA -0.027 4.443 4.470 -0.001 0.000 0.227 206 S C 0.771 174.946 174.600 -0.708 0.000 1.022 206 S CA 0.841 58.752 58.200 -0.482 0.000 0.958 206 S CB -0.052 62.891 63.200 -0.429 0.000 0.797 206 S HN 0.664 nan 8.310 nan 0.000 0.493 207 Y N 0.366 120.451 120.300 -0.358 0.000 2.563 207 Y HA 0.445 4.995 4.550 -0.001 0.000 0.250 207 Y C 0.910 176.421 175.900 -0.649 0.000 1.126 207 Y CA 0.054 57.936 58.100 -0.364 0.000 1.231 207 Y CB 0.880 39.218 38.460 -0.204 0.000 1.288 207 Y HN 0.246 nan 8.280 nan 0.000 0.537 208 G N 0.458 108.655 108.800 -1.004 0.000 2.697 208 G HA2 -0.174 3.785 3.960 -0.001 0.000 0.686 208 G HA3 -0.174 3.785 3.960 -0.001 0.000 0.686 208 G C 0.043 174.833 174.900 -0.182 0.000 1.179 208 G CA -0.374 44.250 45.100 -0.793 0.000 0.765 208 G HN 0.212 nan 8.290 nan 0.000 0.649 209 L N 1.765 123.045 121.223 0.095 0.000 1.971 209 L HA -0.026 4.313 4.340 -0.001 0.000 0.215 209 L C 2.770 179.683 176.870 0.072 0.000 1.072 209 L CA 2.861 57.759 54.840 0.097 0.000 0.758 209 L CB -0.680 41.588 42.059 0.349 0.000 0.889 209 L HN 0.732 nan 8.230 nan 0.000 0.433 210 I N -0.825 119.837 120.570 0.153 0.000 2.142 210 I HA -0.292 3.878 4.170 -0.001 0.000 0.240 210 I C 2.404 178.536 176.117 0.025 0.000 1.078 210 I CA 1.485 62.881 61.300 0.161 0.000 1.343 210 I CB -0.538 37.585 38.000 0.205 0.000 1.046 210 I HN 0.320 nan 8.210 nan 0.000 0.405 211 S N 1.019 116.730 115.700 0.018 0.000 2.370 211 S HA -0.145 4.324 4.470 -0.001 0.000 0.226 211 S C 2.159 176.700 174.600 -0.098 0.000 1.033 211 S CA 1.248 59.430 58.200 -0.030 0.000 1.011 211 S CB -1.173 62.021 63.200 -0.010 0.000 0.852 211 S HN 0.619 nan 8.310 nan 0.000 0.457 212 G N 2.124 110.860 108.800 -0.107 0.000 2.514 212 G HA2 -0.208 3.752 3.960 -0.001 0.000 0.217 212 G HA3 -0.208 3.752 3.960 -0.001 0.000 0.217 212 G C 1.481 176.295 174.900 -0.143 0.000 1.198 212 G CA 1.261 46.279 45.100 -0.135 0.000 0.780 212 G HN 0.428 nan 8.290 nan 0.000 0.565 213 V N 1.054 120.861 119.914 -0.177 0.000 2.255 213 V HA -0.178 3.942 4.120 -0.001 0.000 0.247 213 V C 2.942 178.889 176.094 -0.245 0.000 1.051 213 V CA 1.675 63.821 62.300 -0.257 0.000 1.018 213 V CB -0.609 30.803 31.823 -0.685 0.000 0.641 213 V HN 0.337 nan 8.190 nan 0.000 0.445 214 L N 0.759 121.848 121.223 -0.223 0.000 1.989 214 L HA -0.219 4.120 4.340 -0.001 0.000 0.211 214 L C 2.847 179.610 176.870 -0.178 0.000 1.071 214 L CA 2.230 56.964 54.840 -0.177 0.000 0.749 214 L CB -0.860 41.148 42.059 -0.085 0.000 0.890 214 L HN 0.620 nan 8.230 nan 0.000 0.431 215 S N -0.602 115.003 115.700 -0.160 0.000 2.359 215 S HA -0.180 4.289 4.470 -0.001 0.000 0.224 215 S C 1.941 176.460 174.600 -0.134 0.000 1.035 215 S CA 1.406 59.508 58.200 -0.162 0.000 1.018 215 S CB -1.052 62.037 63.200 -0.185 0.000 0.876 215 S HN 0.171 nan 8.310 nan 0.000 0.448 216 V N 2.669 122.520 119.914 -0.106 0.000 2.250 216 V HA -0.224 3.896 4.120 -0.001 0.000 0.250 216 V C 2.652 178.732 176.094 -0.024 0.000 1.060 216 V CA 2.282 64.552 62.300 -0.050 0.000 1.030 216 V CB -0.946 30.884 31.823 0.011 0.000 0.643 216 V HN 0.507 nan 8.190 nan 0.000 0.445 217 L N -1.486 119.705 121.223 -0.054 0.000 2.083 217 L HA -0.231 4.109 4.340 -0.001 0.000 0.209 217 L C 2.532 179.330 176.870 -0.120 0.000 1.083 217 L CA 1.744 56.557 54.840 -0.045 0.000 0.752 217 L CB -0.489 41.499 42.059 -0.118 0.000 0.899 217 L HN 0.344 nan 8.230 nan 0.000 0.433 218 M N -0.453 119.012 119.600 -0.226 0.000 2.086 218 M HA -0.205 4.274 4.480 -0.001 0.000 0.261 218 M C 2.579 178.827 176.300 -0.086 0.000 1.067 218 M CA 2.019 57.191 55.300 -0.215 0.000 1.116 218 M CB -0.569 31.903 32.600 -0.213 0.000 1.348 218 M HN 0.304 nan 8.290 nan 0.000 0.407 219 A N -0.012 122.760 122.820 -0.079 0.000 1.883 219 A HA -0.138 4.182 4.320 -0.001 0.000 0.217 219 A C 2.271 179.840 177.584 -0.024 0.000 1.186 219 A CA 2.012 54.011 52.037 -0.064 0.000 0.624 219 A CB -1.157 17.793 19.000 -0.084 0.000 0.822 219 A HN 0.306 nan 8.150 nan 0.000 0.444 220 V N 0.445 120.374 119.914 0.025 0.000 2.261 220 V HA -0.268 3.851 4.120 -0.001 0.000 0.246 220 V C 2.395 178.608 176.094 0.199 0.000 1.047 220 V CA 2.607 64.956 62.300 0.082 0.000 1.015 220 V CB -0.843 31.081 31.823 0.167 0.000 0.642 220 V HN 0.765 nan 8.190 nan 0.000 0.446 221 D N 0.206 120.765 120.400 0.264 0.000 2.123 221 D HA -0.061 4.578 4.640 -0.001 0.000 0.200 221 D C 2.204 178.652 176.300 0.248 0.000 0.976 221 D CA 1.388 55.594 54.000 0.345 0.000 0.831 221 D CB -0.514 40.539 40.800 0.422 0.000 0.974 221 D HN 0.298 nan 8.370 nan 0.000 0.469 222 G N 0.379 109.264 108.800 0.142 0.000 2.556 222 G HA2 -0.333 3.626 3.960 -0.001 0.000 0.220 222 G HA3 -0.333 3.626 3.960 -0.001 0.000 0.220 222 G C 1.715 176.690 174.900 0.124 0.000 1.156 222 G CA 1.594 46.753 45.100 0.099 0.000 0.766 222 G HN 0.471 nan 8.290 nan 0.000 0.583 223 A N -0.286 122.568 122.820 0.056 0.000 1.898 223 A HA 0.087 4.406 4.320 -0.001 0.000 0.216 223 A C 2.240 179.880 177.584 0.093 0.000 1.181 223 A CA 1.576 53.614 52.037 0.001 0.000 0.620 223 A CB -0.600 18.298 19.000 -0.171 0.000 0.819 223 A HN 0.376 nan 8.150 nan 0.000 0.442 224 Y N 0.368 120.747 120.300 0.132 0.000 2.128 224 Y HA -0.211 4.338 4.550 -0.001 0.000 0.284 224 Y C 2.439 178.408 175.900 0.116 0.000 1.154 224 Y CA 2.042 60.211 58.100 0.114 0.000 1.149 224 Y CB -0.320 38.188 38.460 0.080 0.000 0.976 224 Y HN 0.263 nan 8.280 nan 0.000 0.505 225 K N -1.481 119.091 120.400 0.287 0.000 2.057 225 K HA -0.247 4.072 4.320 -0.001 0.000 0.207 225 K C 1.980 178.680 176.600 0.166 0.000 1.049 225 K CA 1.713 58.110 56.287 0.183 0.000 0.931 225 K CB -0.587 32.007 32.500 0.157 0.000 0.714 225 K HN 0.434 nan 8.250 nan 0.000 0.440 226 W N 1.233 122.562 121.300 0.048 0.000 2.381 226 W HA -0.108 4.552 4.660 -0.001 0.000 0.301 226 W C 1.960 178.512 176.519 0.054 0.000 1.205 226 W CA 1.844 59.223 57.345 0.057 0.000 1.285 226 W CB -0.605 28.869 29.460 0.023 0.000 1.133 226 W HN 0.090 nan 8.180 nan 0.000 0.521 227 G N 0.630 109.610 108.800 0.300 0.000 2.553 227 G HA2 -0.363 3.597 3.960 -0.001 0.000 0.218 227 G HA3 -0.363 3.597 3.960 -0.001 0.000 0.218 227 G C 1.405 176.232 174.900 -0.123 0.000 1.195 227 G CA 1.389 46.545 45.100 0.093 0.000 0.779 227 G HN 0.267 nan 8.290 nan 0.000 0.577 228 E N 0.379 120.559 120.200 -0.033 0.000 2.086 228 E HA -0.220 4.129 4.350 -0.001 0.000 0.200 228 E C 2.367 178.840 176.600 -0.212 0.000 1.012 228 E CA 1.561 57.912 56.400 -0.082 0.000 0.812 228 E CB -0.254 29.430 29.700 -0.026 0.000 0.743 228 E HN 0.571 nan 8.360 nan 0.000 0.453 229 K N -0.193 120.017 120.400 -0.316 0.000 2.097 229 K HA -0.162 4.158 4.320 -0.001 0.000 0.206 229 K C 1.265 177.406 176.600 -0.764 0.000 1.049 229 K CA 1.531 57.509 56.287 -0.515 0.000 0.933 229 K CB -0.059 32.104 32.500 -0.561 0.000 0.717 229 K HN 0.172 nan 8.250 nan 0.000 0.442 230 H N -1.962 116.684 119.070 -0.707 0.000 2.672 230 H HA 0.298 4.853 4.556 -0.001 0.000 0.277 230 H C 0.290 175.304 175.328 -0.523 0.000 1.074 230 H CA 0.302 55.907 56.048 -0.738 0.000 1.173 230 H CB 1.445 30.405 29.762 -1.336 0.000 1.558 230 H HN 0.406 nan 8.280 nan 0.000 0.539 231 G N 0.997 109.627 108.800 -0.282 0.000 2.225 231 G HA2 -0.244 3.716 3.960 -0.001 0.000 0.264 231 G HA3 -0.244 3.716 3.960 -0.001 0.000 0.264 231 G C -0.426 174.412 174.900 -0.104 0.000 1.060 231 G CA 0.347 45.358 45.100 -0.148 0.000 0.833 231 G HN 0.253 nan 8.290 nan 0.000 0.498 232 V N 0.657 120.493 119.914 -0.130 0.000 2.448 232 V HA 0.538 4.657 4.120 -0.001 0.000 0.295 232 V C 0.670 176.790 176.094 0.045 0.000 1.025 232 V CA -0.328 61.961 62.300 -0.019 0.000 0.859 232 V CB 1.892 33.725 31.823 0.016 0.000 0.988 232 V HN 0.369 nan 8.190 nan 0.000 0.431 233 T N 6.468 121.059 114.554 0.061 0.000 2.738 233 T HA 0.355 4.704 4.350 -0.001 0.000 0.293 233 T C 0.049 174.793 174.700 0.074 0.000 0.913 233 T CA -0.135 62.011 62.100 0.077 0.000 1.103 233 T CB -0.073 68.837 68.868 0.069 0.000 0.880 233 T HN 0.247 nan 8.240 nan 0.000 0.526 234 I N 3.015 123.621 120.570 0.059 0.000 2.395 234 I HA 0.291 4.460 4.170 -0.001 0.000 0.289 234 I C 0.706 176.772 176.117 -0.085 0.000 1.023 234 I CA -0.206 61.055 61.300 -0.065 0.000 1.350 234 I CB 1.229 39.075 38.000 -0.257 0.000 1.409 234 I HN 0.515 nan 8.210 nan 0.000 0.507 235 S N 8.095 123.748 115.700 -0.079 0.000 2.659 235 S HA 0.631 5.101 4.470 -0.001 0.000 0.312 235 S C -2.676 171.864 174.600 -0.100 0.000 1.114 235 S CA -1.190 56.979 58.200 -0.052 0.000 1.063 235 S CB 1.462 64.666 63.200 0.006 0.000 0.996 235 S HN 0.266 nan 8.310 nan 0.000 0.478 236 P HA 0.545 nan 4.420 nan 0.000 0.294 236 P C -1.060 176.144 177.300 -0.160 0.000 1.294 236 P CA -0.537 62.475 63.100 -0.147 0.000 0.827 236 P CB 0.874 32.483 31.700 -0.152 0.000 0.992 237 I N 2.805 123.273 120.570 -0.170 0.000 2.412 237 I HA 0.367 4.536 4.170 -0.001 0.000 0.296 237 I C -0.122 175.833 176.117 -0.271 0.000 0.987 237 I CA -0.934 60.236 61.300 -0.218 0.000 1.180 237 I CB 1.447 39.363 38.000 -0.141 0.000 1.340 237 I HN 0.149 nan 8.210 nan 0.000 0.455 238 L N 5.370 126.340 121.223 -0.422 0.000 2.282 238 L HA 0.676 5.015 4.340 -0.001 0.000 0.288 238 L C 0.191 176.871 176.870 -0.317 0.000 1.033 238 L CA 0.084 54.680 54.840 -0.406 0.000 0.807 238 L CB 1.375 43.072 42.059 -0.603 0.000 1.209 238 L HN 0.631 nan 8.230 nan 0.000 0.423 239 G N 4.682 113.346 108.800 -0.227 0.000 2.404 239 G HA2 0.524 4.483 3.960 -0.001 0.000 0.316 239 G HA3 0.524 4.483 3.960 -0.001 0.000 0.316 239 G C -0.738 174.032 174.900 -0.216 0.000 1.074 239 G CA -0.221 44.768 45.100 -0.184 0.000 0.989 239 G HN 0.908 nan 8.290 nan 0.000 0.430 240 C N 1.633 120.776 119.300 -0.262 0.000 2.686 240 C HA 0.951 5.410 4.460 -0.001 0.000 0.318 240 C C 0.809 175.687 174.990 -0.186 0.000 1.160 240 C CA -0.595 58.291 59.018 -0.221 0.000 1.396 240 C CB 1.358 28.956 27.740 -0.237 0.000 1.924 240 C HN 0.841 nan 8.230 nan 0.000 0.471 241 G N 1.343 110.079 108.800 -0.107 0.000 2.532 241 G HA2 0.514 4.474 3.960 -0.001 0.000 0.291 241 G HA3 0.514 4.474 3.960 -0.001 0.000 0.291 241 G C 0.504 175.412 174.900 0.012 0.000 1.349 241 G CA -0.246 44.815 45.100 -0.065 0.000 1.038 241 G HN 0.872 nan 8.290 nan 0.000 0.518 242 S N -1.050 114.640 115.700 -0.017 0.000 2.486 242 S HA 0.194 4.663 4.470 -0.001 0.000 0.220 242 S C 1.036 175.611 174.600 -0.041 0.000 1.011 242 S CA -0.247 57.938 58.200 -0.025 0.000 0.921 242 S CB -0.157 62.943 63.200 -0.166 0.000 0.785 242 S HN 0.250 nan 8.310 nan 0.000 0.517 243 L N 2.162 123.349 121.223 -0.059 0.000 2.417 243 L HA 0.198 4.537 4.340 -0.001 0.000 0.268 243 L C -1.679 175.133 176.870 -0.097 0.000 1.158 243 L CA -1.878 52.879 54.840 -0.139 0.000 0.819 243 L CB 0.490 42.544 42.059 -0.009 0.000 1.112 243 L HN -0.063 nan 8.230 nan 0.000 0.458 244 P HA -0.233 nan 4.420 nan 0.000 0.216 244 P C 1.498 178.918 177.300 0.200 0.000 1.153 244 P CA 1.259 64.285 63.100 -0.124 0.000 0.858 244 P CB 0.074 31.677 31.700 -0.161 0.000 0.789 245 F N 0.411 120.460 119.950 0.166 0.000 2.154 245 F HA -0.182 4.345 4.527 -0.001 0.000 0.301 245 F C 1.738 177.642 175.800 0.172 0.000 1.087 245 F CA 1.637 59.770 58.000 0.223 0.000 1.274 245 F CB -0.160 39.030 39.000 0.316 0.000 1.009 245 F HN -0.187 nan 8.300 nan 0.000 0.485 246 R N -1.249 119.335 120.500 0.141 0.000 2.468 246 R HA 0.307 4.646 4.340 -0.001 0.000 0.280 246 R C 1.101 177.394 176.300 -0.013 0.000 0.963 246 R CA 0.600 56.705 56.100 0.009 0.000 1.083 246 R CB 0.425 30.769 30.300 0.073 0.000 1.200 246 R HN 0.455 nan 8.270 nan 0.000 0.541 247 G N -0.744 108.087 108.800 0.052 0.000 3.382 247 G HA2 -0.195 3.764 3.960 -0.001 0.000 0.214 247 G HA3 -0.195 3.764 3.960 -0.001 0.000 0.214 247 G C 0.212 175.250 174.900 0.231 0.000 1.025 247 G CA -0.101 45.042 45.100 0.071 0.000 0.869 247 G HN 0.517 nan 8.290 nan 0.000 0.458 248 H N -1.274 117.834 119.070 0.064 0.000 2.899 248 H HA -0.219 4.337 4.556 -0.001 0.000 0.282 248 H C -0.184 175.154 175.328 0.016 0.000 1.198 248 H CA 0.330 56.385 56.048 0.013 0.000 1.140 248 H CB -1.087 28.709 29.762 0.057 0.000 1.317 248 H HN 0.446 nan 8.280 nan 0.000 0.375 249 F N 1.727 121.665 119.950 -0.020 0.000 2.468 249 F HA 0.374 4.901 4.527 -0.001 0.000 0.356 249 F C 0.199 175.894 175.800 -0.176 0.000 1.167 249 F CA 0.833 58.733 58.000 -0.167 0.000 1.135 249 F CB 0.459 39.305 39.000 -0.257 0.000 1.197 249 F HN 0.132 nan 8.300 nan 0.000 0.569 250 S N 3.648 119.022 115.700 -0.543 0.000 2.704 250 S HA 0.297 4.767 4.470 -0.001 0.000 0.296 250 S C 0.767 175.109 174.600 -0.430 0.000 1.138 250 S CA -0.499 57.496 58.200 -0.342 0.000 0.875 250 S CB 1.116 64.288 63.200 -0.048 0.000 1.151 250 S HN 0.660 nan 8.310 nan 0.000 0.500 251 E N 1.298 121.397 120.200 -0.169 0.000 2.358 251 E HA -0.081 4.269 4.350 -0.001 0.000 0.195 251 E C 0.785 177.347 176.600 -0.064 0.000 1.010 251 E CA 0.864 57.201 56.400 -0.105 0.000 0.856 251 E CB -0.161 29.560 29.700 0.034 0.000 0.795 251 E HN 0.711 nan 8.360 nan 0.000 0.504 252 E N 0.797 120.949 120.200 -0.080 0.000 2.501 252 E HA 0.077 4.426 4.350 -0.001 0.000 0.201 252 E C 0.187 176.730 176.600 -0.095 0.000 1.016 252 E CA -0.101 56.267 56.400 -0.053 0.000 0.920 252 E CB -0.209 29.474 29.700 -0.027 0.000 1.023 252 E HN 0.030 nan 8.360 nan 0.000 0.474 253 N N 0.955 119.549 118.700 -0.176 0.000 2.234 253 N HA 0.172 4.912 4.740 -0.001 0.000 0.227 253 N C 1.117 176.527 175.510 -0.167 0.000 1.151 253 N CA -0.193 52.738 53.050 -0.198 0.000 0.865 253 N CB 0.356 38.648 38.487 -0.325 0.000 1.066 253 N HN 0.087 nan 8.380 nan 0.000 0.515 254 I N 0.859 121.335 120.570 -0.156 0.000 2.163 254 I HA -0.230 3.939 4.170 -0.001 0.000 0.243 254 I C 1.542 177.627 176.117 -0.053 0.000 1.085 254 I CA 1.332 62.552 61.300 -0.134 0.000 1.347 254 I CB -0.683 37.256 38.000 -0.101 0.000 1.044 254 I HN 0.084 nan 8.210 nan 0.000 0.408 255 D N 0.961 121.343 120.400 -0.030 0.000 2.116 255 D HA -0.211 4.428 4.640 -0.001 0.000 0.193 255 D C 2.080 178.390 176.300 0.017 0.000 0.998 255 D CA 1.492 55.492 54.000 -0.000 0.000 0.836 255 D CB -0.108 40.692 40.800 -0.000 0.000 0.951 255 D HN 0.382 nan 8.370 nan 0.000 0.449 256 E N 0.155 120.359 120.200 0.007 0.000 2.208 256 E HA -0.035 4.315 4.350 -0.001 0.000 0.193 256 E C 2.129 178.782 176.600 0.087 0.000 0.988 256 E CA 0.061 56.480 56.400 0.031 0.000 0.828 256 E CB 0.028 29.732 29.700 0.006 0.000 0.763 256 E HN 0.250 nan 8.360 nan 0.000 0.478 257 I N 0.358 120.985 120.570 0.095 0.000 2.252 257 I HA -0.181 3.989 4.170 -0.001 0.000 0.245 257 I C 1.983 178.286 176.117 0.311 0.000 1.102 257 I CA 1.211 62.656 61.300 0.242 0.000 1.385 257 I CB -0.551 37.510 38.000 0.102 0.000 1.064 257 I HN 0.187 nan 8.210 nan 0.000 0.414 258 L N 0.211 121.538 121.223 0.172 0.000 2.217 258 L HA -0.111 4.228 4.340 -0.001 0.000 0.211 258 L C 2.719 179.690 176.870 0.168 0.000 1.107 258 L CA 0.897 55.863 54.840 0.210 0.000 0.783 258 L CB -0.568 41.571 42.059 0.134 0.000 0.919 258 L HN 0.148 nan 8.230 nan 0.000 0.442 259 A N -0.221 122.663 122.820 0.107 0.000 1.873 259 A HA -0.170 4.150 4.320 -0.001 0.000 0.215 259 A C 2.371 179.979 177.584 0.040 0.000 1.186 259 A CA 2.273 54.346 52.037 0.061 0.000 0.616 259 A CB -0.805 18.220 19.000 0.042 0.000 0.823 259 A HN 0.332 nan 8.150 nan 0.000 0.442 260 T N -1.417 113.138 114.554 0.002 0.000 2.770 260 T HA -0.066 4.283 4.350 -0.001 0.000 0.263 260 T C 0.976 175.530 174.700 -0.243 0.000 1.039 260 T CA 1.427 63.412 62.100 -0.192 0.000 1.142 260 T CB -0.348 68.258 68.868 -0.436 0.000 0.868 260 T HN 0.500 nan 8.240 nan 0.000 0.435 261 Y N 1.522 121.940 120.300 0.196 0.000 2.583 261 Y HA 0.482 5.031 4.550 -0.001 0.000 0.294 261 Y C 1.166 177.185 175.900 0.198 0.000 1.170 261 Y CA -0.927 57.297 58.100 0.206 0.000 1.265 261 Y CB -0.276 38.359 38.460 0.291 0.000 1.119 261 Y HN 0.028 nan 8.280 nan 0.000 0.522 262 S N -0.016 115.823 115.700 0.232 0.000 2.558 262 S HA 0.339 4.808 4.470 -0.001 0.000 0.288 262 S C 1.309 176.009 174.600 0.167 0.000 1.318 262 S CA 1.249 59.552 58.200 0.172 0.000 1.056 262 S CB 0.219 63.463 63.200 0.074 0.000 0.853 262 S HN 0.904 nan 8.310 nan 0.000 0.505 263 G N 3.988 112.877 108.800 0.149 0.000 2.376 263 G HA2 -0.187 3.772 3.960 -0.001 0.000 0.208 263 G HA3 -0.187 3.772 3.960 -0.001 0.000 0.208 263 G C 0.086 175.164 174.900 0.297 0.000 1.032 263 G CA -0.166 45.080 45.100 0.244 0.000 0.641 263 G HN 0.648 nan 8.290 nan 0.000 0.503 264 I N 2.043 122.711 120.570 0.163 0.000 2.618 264 I HA 0.225 4.394 4.170 -0.001 0.000 0.284 264 I C 1.258 177.338 176.117 -0.062 0.000 1.146 264 I CA 0.591 61.852 61.300 -0.064 0.000 1.425 264 I CB 1.243 39.013 38.000 -0.383 0.000 1.383 264 I HN 0.215 nan 8.210 nan 0.000 0.562 265 K N 3.499 123.844 120.400 -0.092 0.000 2.380 265 K HA 0.175 4.494 4.320 -0.001 0.000 0.198 265 K C -0.112 176.476 176.600 -0.020 0.000 1.070 265 K CA 0.351 56.640 56.287 0.003 0.000 1.040 265 K CB 0.749 33.282 32.500 0.055 0.000 0.903 265 K HN 0.586 nan 8.250 nan 0.000 0.549 266 T N 0.673 115.123 114.554 -0.173 0.000 2.952 266 T HA 0.514 4.863 4.350 -0.001 0.000 0.305 266 T C -1.160 173.344 174.700 -0.327 0.000 1.064 266 T CA -0.537 61.503 62.100 -0.100 0.000 1.008 266 T CB 1.252 70.085 68.868 -0.058 0.000 1.078 266 T HN -0.148 nan 8.240 nan 0.000 0.459 267 F N 1.891 121.793 119.950 -0.081 0.000 2.520 267 F HA 0.475 5.001 4.527 -0.001 0.000 0.322 267 F C 1.026 176.626 175.800 -0.334 0.000 1.103 267 F CA -0.891 56.895 58.000 -0.355 0.000 0.926 267 F CB 1.877 40.471 39.000 -0.677 0.000 1.154 267 F HN 0.570 nan 8.300 nan 0.000 0.453 268 T N 0.106 114.510 114.554 -0.251 0.000 2.799 268 T HA 0.322 4.671 4.350 -0.001 0.000 0.296 268 T C -0.508 174.046 174.700 -0.244 0.000 0.947 268 T CA -0.202 61.820 62.100 -0.131 0.000 1.141 268 T CB -0.236 68.555 68.868 -0.128 0.000 0.891 268 T HN 0.313 nan 8.240 nan 0.000 0.533 269 F N 3.197 123.129 119.950 -0.030 0.000 2.406 269 F HA 0.272 4.798 4.527 -0.001 0.000 0.358 269 F C 1.378 177.212 175.800 0.057 0.000 1.161 269 F CA -0.812 57.244 58.000 0.093 0.000 1.185 269 F CB 0.437 39.509 39.000 0.119 0.000 1.421 269 F HN 0.595 nan 8.300 nan 0.000 0.576 270 Q N 0.742 120.605 119.800 0.106 0.000 2.397 270 Q HA 0.172 4.512 4.340 -0.001 0.000 0.193 270 Q C 1.228 177.309 176.000 0.136 0.000 1.083 270 Q CA -0.396 55.463 55.803 0.092 0.000 1.108 270 Q CB 0.624 29.319 28.738 -0.073 0.000 1.172 270 Q HN 0.479 nan 8.270 nan 0.000 0.617 271 S N 0.115 115.924 115.700 0.181 0.000 2.406 271 S HA -0.114 4.355 4.470 -0.001 0.000 0.228 271 S C 1.792 176.544 174.600 0.254 0.000 1.020 271 S CA 0.956 59.326 58.200 0.283 0.000 0.965 271 S CB -0.254 63.139 63.200 0.321 0.000 0.798 271 S HN 0.650 nan 8.310 nan 0.000 0.488 272 A N 1.571 124.471 122.820 0.134 0.000 1.902 272 A HA -0.043 4.277 4.320 -0.001 0.000 0.217 272 A C 2.084 179.667 177.584 -0.001 0.000 1.181 272 A CA 1.265 53.361 52.037 0.098 0.000 0.623 272 A CB -0.683 18.342 19.000 0.043 0.000 0.818 272 A HN 0.425 nan 8.150 nan 0.000 0.443 273 L N 0.184 121.321 121.223 -0.144 0.000 2.083 273 L HA -0.142 4.197 4.340 -0.001 0.000 0.209 273 L C 2.404 179.263 176.870 -0.019 0.000 1.083 273 L CA 1.975 56.668 54.840 -0.245 0.000 0.752 273 L CB -0.527 41.435 42.059 -0.161 0.000 0.899 273 L HN 0.388 nan 8.230 nan 0.000 0.433 274 R N -2.048 118.438 120.500 -0.023 0.000 2.093 274 R HA -0.084 4.256 4.340 -0.001 0.000 0.224 274 R C 1.872 178.016 176.300 -0.260 0.000 1.101 274 R CA 1.566 57.556 56.100 -0.183 0.000 0.979 274 R CB -0.421 29.655 30.300 -0.374 0.000 0.877 274 R HN 0.384 nan 8.270 nan 0.000 0.441 275 Y N 0.057 120.409 120.300 0.086 0.000 2.507 275 Y HA 0.131 4.680 4.550 -0.001 0.000 0.263 275 Y C 1.580 177.542 175.900 0.105 0.000 1.093 275 Y CA 0.305 58.455 58.100 0.083 0.000 1.285 275 Y CB 0.541 39.041 38.460 0.066 0.000 1.115 275 Y HN -0.039 nan 8.280 nan 0.000 0.533 276 D N -1.961 118.599 120.400 0.267 0.000 2.716 276 D HA 0.001 4.641 4.640 -0.001 0.000 0.273 276 D C 1.712 178.172 176.300 0.267 0.000 1.024 276 D CA 0.648 54.803 54.000 0.258 0.000 0.944 276 D CB -0.198 40.768 40.800 0.278 0.000 1.186 276 D HN 0.405 nan 8.370 nan 0.000 0.485 277 H N 0.953 120.070 119.070 0.078 0.000 2.357 277 H HA 0.156 4.711 4.556 -0.001 0.000 0.301 277 H C 1.186 176.540 175.328 0.044 0.000 1.082 277 H CA 0.951 57.033 56.048 0.057 0.000 1.342 277 H CB 0.497 30.284 29.762 0.041 0.000 1.389 277 H HN 0.184 nan 8.280 nan 0.000 0.511 278 G N -0.032 108.871 108.800 0.172 0.000 2.479 278 G HA2 -0.168 3.792 3.960 -0.001 0.000 0.686 278 G HA3 -0.168 3.792 3.960 -0.001 0.000 0.686 278 G C 0.195 175.120 174.900 0.042 0.000 1.295 278 G CA -0.134 45.017 45.100 0.085 0.000 0.922 278 G HN 0.247 nan 8.290 nan 0.000 0.582 279 E N -0.294 119.915 120.200 0.014 0.000 2.051 279 E HA -0.147 4.202 4.350 -0.001 0.000 0.192 279 E C 2.204 178.817 176.600 0.022 0.000 0.991 279 E CA 1.488 57.886 56.400 -0.004 0.000 0.799 279 E CB -0.001 29.695 29.700 -0.006 0.000 0.748 279 E HN 0.504 nan 8.360 nan 0.000 0.449 280 E N 0.500 120.721 120.200 0.034 0.000 2.051 280 E HA -0.149 4.200 4.350 -0.001 0.000 0.192 280 E C 2.034 178.678 176.600 0.074 0.000 0.991 280 E CA 1.001 57.428 56.400 0.046 0.000 0.799 280 E CB -0.348 29.370 29.700 0.031 0.000 0.748 280 E HN 0.213 nan 8.360 nan 0.000 0.449 281 A N 0.600 123.461 122.820 0.067 0.000 1.908 281 A HA -0.203 4.117 4.320 -0.001 0.000 0.218 281 A C 2.483 180.147 177.584 0.134 0.000 1.181 281 A CA 2.350 54.440 52.037 0.088 0.000 0.627 281 A CB -0.978 18.083 19.000 0.101 0.000 0.818 281 A HN 0.276 nan 8.150 nan 0.000 0.445 282 T N -0.350 114.274 114.554 0.116 0.000 2.737 282 T HA -0.119 4.231 4.350 -0.001 0.000 0.265 282 T C 1.979 176.745 174.700 0.110 0.000 1.038 282 T CA 1.765 63.949 62.100 0.141 0.000 1.144 282 T CB -0.202 68.719 68.868 0.087 0.000 0.866 282 T HN 0.534 nan 8.240 nan 0.000 0.434 283 K N 0.215 120.653 120.400 0.064 0.000 2.074 283 K HA -0.167 4.153 4.320 -0.001 0.000 0.209 283 K C 2.314 178.953 176.600 0.065 0.000 1.048 283 K CA 1.295 57.602 56.287 0.035 0.000 0.926 283 K CB -0.244 32.274 32.500 0.030 0.000 0.713 283 K HN 0.431 nan 8.250 nan 0.000 0.444 284 H N -0.016 119.067 119.070 0.021 0.000 2.321 284 H HA -0.079 4.476 4.556 -0.001 0.000 0.300 284 H C 1.828 177.176 175.328 0.034 0.000 1.087 284 H CA 1.793 57.854 56.048 0.021 0.000 1.319 284 H CB 0.125 29.896 29.762 0.016 0.000 1.379 284 H HN 0.243 nan 8.280 nan 0.000 0.501 285 A N 0.452 123.368 122.820 0.160 0.000 1.930 285 A HA -0.078 4.241 4.320 -0.001 0.000 0.217 285 A C 2.857 180.548 177.584 0.180 0.000 1.175 285 A CA 1.313 53.432 52.037 0.137 0.000 0.627 285 A CB -0.813 18.278 19.000 0.152 0.000 0.815 285 A HN 0.294 nan 8.150 nan 0.000 0.443 286 V N -0.122 119.872 119.914 0.134 0.000 2.255 286 V HA -0.304 3.815 4.120 -0.001 0.000 0.247 286 V C 2.666 178.756 176.094 -0.007 0.000 1.051 286 V CA 2.457 64.756 62.300 -0.001 0.000 1.018 286 V CB -0.769 30.952 31.823 -0.170 0.000 0.641 286 V HN 0.547 nan 8.190 nan 0.000 0.445 287 R N -0.364 120.103 120.500 -0.055 0.000 2.091 287 R HA -0.212 4.127 4.340 -0.001 0.000 0.238 287 R C 2.397 178.643 176.300 -0.090 0.000 1.136 287 R CA 1.984 58.033 56.100 -0.084 0.000 0.959 287 R CB -0.332 29.891 30.300 -0.129 0.000 0.856 287 R HN 0.673 nan 8.270 nan 0.000 0.437 288 E N 0.413 120.530 120.200 -0.138 0.000 2.017 288 E HA -0.233 4.117 4.350 -0.001 0.000 0.193 288 E C 1.868 178.460 176.600 -0.013 0.000 0.997 288 E CA 1.258 57.595 56.400 -0.106 0.000 0.804 288 E CB -0.102 29.522 29.700 -0.126 0.000 0.757 288 E HN 0.140 nan 8.360 nan 0.000 0.448 289 L N 1.424 122.675 121.223 0.048 0.000 2.042 289 L HA -0.215 4.124 4.340 -0.001 0.000 0.210 289 L C 2.111 179.041 176.870 0.099 0.000 1.076 289 L CA 1.874 56.779 54.840 0.109 0.000 0.749 289 L CB -0.275 41.930 42.059 0.243 0.000 0.893 289 L HN 0.039 nan 8.230 nan 0.000 0.432 290 K N -0.606 119.836 120.400 0.069 0.000 2.063 290 K HA -0.260 4.059 4.320 -0.001 0.000 0.208 290 K C 2.074 178.697 176.600 0.038 0.000 1.048 290 K CA 1.831 58.148 56.287 0.051 0.000 0.928 290 K CB -0.229 32.282 32.500 0.019 0.000 0.713 290 K HN 0.541 nan 8.250 nan 0.000 0.442 291 E N 1.275 121.486 120.200 0.019 0.000 2.051 291 E HA -0.194 4.156 4.350 -0.001 0.000 0.192 291 E C 1.262 177.877 176.600 0.025 0.000 0.991 291 E CA 1.391 57.797 56.400 0.011 0.000 0.799 291 E CB 0.218 29.912 29.700 -0.010 0.000 0.748 291 E HN 0.202 nan 8.360 nan 0.000 0.449 292 K N -0.168 120.254 120.400 0.036 0.000 2.353 292 K HA 0.064 4.384 4.320 -0.001 0.000 0.195 292 K C 1.762 178.405 176.600 0.072 0.000 1.031 292 K CA -0.120 56.194 56.287 0.045 0.000 1.079 292 K CB 0.242 32.764 32.500 0.036 0.000 0.857 292 K HN 0.100 nan 8.250 nan 0.000 0.535 293 I N 1.996 122.622 120.570 0.095 0.000 2.623 293 I HA -0.250 3.919 4.170 -0.001 0.000 0.261 293 I C 1.912 178.090 176.117 0.101 0.000 1.204 293 I CA 0.809 62.188 61.300 0.131 0.000 1.444 293 I CB -0.138 37.950 38.000 0.147 0.000 1.094 293 I HN 0.126 nan 8.210 nan 0.000 0.451 294 A N -0.726 122.136 122.820 0.069 0.000 2.015 294 A HA -0.198 4.121 4.320 -0.001 0.000 0.219 294 A C 2.157 179.766 177.584 0.043 0.000 1.163 294 A CA 1.387 53.453 52.037 0.049 0.000 0.646 294 A CB -0.488 18.532 19.000 0.034 0.000 0.806 294 A HN 0.585 nan 8.150 nan 0.000 0.448 295 Q N -0.335 119.495 119.800 0.050 0.000 2.444 295 Q HA 0.089 4.428 4.340 -0.001 0.000 0.206 295 Q C 0.810 176.837 176.000 0.046 0.000 0.948 295 Q CA 0.418 56.244 55.803 0.038 0.000 0.946 295 Q CB 0.162 28.923 28.738 0.038 0.000 1.027 295 Q HN 0.443 nan 8.270 nan 0.000 0.513 296 S N 1.473 117.219 115.700 0.075 0.000 3.919 296 S HA 0.102 4.571 4.470 -0.001 0.000 0.245 296 S C -0.501 174.116 174.600 0.029 0.000 1.344 296 S CA -0.519 57.738 58.200 0.094 0.000 0.896 296 S CB -0.202 63.098 63.200 0.168 0.000 1.557 296 S HN -0.042 nan 8.310 nan 0.000 0.468 297 K N 3.183 123.566 120.400 -0.028 0.000 2.106 297 K HA 0.561 4.880 4.320 -0.001 0.000 0.246 297 K C -2.785 173.708 176.600 -0.180 0.000 0.987 297 K CA -3.107 53.104 56.287 -0.126 0.000 0.904 297 K CB -0.277 32.156 32.500 -0.111 0.000 1.071 297 K HN 0.185 nan 8.250 nan 0.000 0.453 298 P HA 0.120 nan 4.420 nan 0.000 0.265 298 P C 0.376 177.576 177.300 -0.167 0.000 1.193 298 P CA 0.114 63.030 63.100 -0.307 0.000 0.765 298 P CB 0.453 31.872 31.700 -0.468 0.000 0.823 299 R N 2.407 122.831 120.500 -0.126 0.000 2.236 299 R HA -0.009 4.331 4.340 -0.001 0.000 0.208 299 R C 0.311 176.356 176.300 -0.425 0.000 1.036 299 R CA 0.105 56.014 56.100 -0.319 0.000 1.001 299 R CB -0.597 29.405 30.300 -0.496 0.000 0.896 299 R HN 0.598 nan 8.270 nan 0.000 0.464 300 N N 1.003 119.580 118.700 -0.205 0.000 2.614 300 N HA -0.187 4.553 4.740 -0.001 0.000 0.276 300 N C -1.224 174.216 175.510 -0.117 0.000 1.119 300 N CA 0.315 53.308 53.050 -0.096 0.000 0.742 300 N CB -0.668 37.766 38.487 -0.088 0.000 0.900 300 N HN 0.026 nan 8.380 nan 0.000 0.549 301 F N 0.898 120.852 119.950 0.006 0.000 2.418 301 F HA 0.122 4.648 4.527 -0.001 0.000 0.341 301 F C 1.621 177.417 175.800 -0.006 0.000 1.120 301 F CA -0.009 57.990 58.000 -0.001 0.000 1.232 301 F CB 0.841 39.838 39.000 -0.004 0.000 1.175 301 F HN 0.145 nan 8.300 nan 0.000 0.569 302 S N 1.299 117.103 115.700 0.173 0.000 2.572 302 S HA -0.053 4.417 4.470 -0.001 0.000 0.267 302 S C 1.178 175.832 174.600 0.090 0.000 1.361 302 S CA -0.343 57.915 58.200 0.095 0.000 1.009 302 S CB 0.952 64.192 63.200 0.067 0.000 0.888 302 S HN 0.723 nan 8.310 nan 0.000 0.553 303 E N 0.630 120.859 120.200 0.047 0.000 2.170 303 E HA -0.054 4.295 4.350 -0.001 0.000 0.191 303 E C 1.929 178.531 176.600 0.003 0.000 0.981 303 E CA 1.512 57.928 56.400 0.026 0.000 0.830 303 E CB -0.168 29.542 29.700 0.018 0.000 0.775 303 E HN 0.816 nan 8.360 nan 0.000 0.470 304 E N -0.194 120.007 120.200 0.002 0.000 2.442 304 E HA -0.096 4.253 4.350 -0.001 0.000 0.195 304 E C 0.621 177.192 176.600 -0.049 0.000 1.030 304 E CA 0.541 56.928 56.400 -0.021 0.000 0.869 304 E CB 0.056 29.751 29.700 -0.009 0.000 0.857 304 E HN 0.149 nan 8.360 nan 0.000 0.505 305 D N 2.222 122.615 120.400 -0.012 0.000 2.097 305 D HA -0.081 4.558 4.640 -0.001 0.000 0.197 305 D C 1.729 177.962 176.300 -0.111 0.000 0.984 305 D CA 1.206 55.193 54.000 -0.021 0.000 0.826 305 D CB 0.010 40.895 40.800 0.142 0.000 0.973 305 D HN 0.219 nan 8.370 nan 0.000 0.460 306 K N 0.427 120.777 120.400 -0.082 0.000 2.057 306 K HA -0.120 4.199 4.320 -0.001 0.000 0.207 306 K C 1.554 178.062 176.600 -0.153 0.000 1.049 306 K CA 1.085 57.288 56.287 -0.140 0.000 0.931 306 K CB 0.039 32.491 32.500 -0.080 0.000 0.714 306 K HN 0.059 nan 8.250 nan 0.000 0.440 307 D N 0.860 121.187 120.400 -0.121 0.000 2.178 307 D HA -0.136 4.504 4.640 -0.001 0.000 0.202 307 D C 1.777 177.958 176.300 -0.199 0.000 0.974 307 D CA 0.722 54.649 54.000 -0.122 0.000 0.841 307 D CB -0.076 40.677 40.800 -0.077 0.000 0.953 307 D HN 0.021 nan 8.370 nan 0.000 0.478 308 L N 0.148 121.199 121.223 -0.286 0.000 2.072 308 L HA -0.026 4.314 4.340 -0.001 0.000 0.205 308 L C 2.194 178.605 176.870 -0.765 0.000 1.079 308 L CA 1.276 55.783 54.840 -0.555 0.000 0.752 308 L CB -0.308 41.403 42.059 -0.580 0.000 0.906 308 L HN -0.048 nan 8.230 nan 0.000 0.436 309 M N -0.891 118.415 119.600 -0.489 0.000 2.108 309 M HA -0.252 4.228 4.480 -0.001 0.000 0.261 309 M C 2.201 178.366 176.300 -0.224 0.000 1.066 309 M CA 1.770 56.868 55.300 -0.337 0.000 1.107 309 M CB -0.514 31.927 32.600 -0.265 0.000 1.356 309 M HN 0.169 nan 8.290 nan 0.000 0.406 310 K N 0.115 120.393 120.400 -0.203 0.000 2.044 310 K HA -0.169 4.150 4.320 -0.001 0.000 0.210 310 K C 1.928 178.477 176.600 -0.086 0.000 1.049 310 K CA 1.245 57.456 56.287 -0.128 0.000 0.927 310 K CB -0.224 32.211 32.500 -0.109 0.000 0.713 310 K HN 0.315 nan 8.250 nan 0.000 0.443 311 E N 0.304 120.425 120.200 -0.132 0.000 2.077 311 E HA -0.159 4.190 4.350 -0.001 0.000 0.193 311 E C 2.029 178.702 176.600 0.122 0.000 0.989 311 E CA 1.157 57.540 56.400 -0.029 0.000 0.800 311 E CB -0.204 29.461 29.700 -0.057 0.000 0.746 311 E HN 0.241 nan 8.360 nan 0.000 0.452 312 F N 0.747 120.668 119.950 -0.048 0.000 2.186 312 F HA -0.067 4.460 4.527 -0.001 0.000 0.299 312 F C 2.425 178.224 175.800 -0.002 0.000 1.090 312 F CA 0.115 58.099 58.000 -0.027 0.000 1.307 312 F CB -1.070 37.896 39.000 -0.057 0.000 1.019 312 F HN -0.035 nan 8.300 nan 0.000 0.489 313 I N 0.053 120.712 120.570 0.148 0.000 2.151 313 I HA -0.280 3.889 4.170 -0.001 0.000 0.243 313 I C 2.767 178.927 176.117 0.073 0.000 1.080 313 I CA 1.735 63.069 61.300 0.058 0.000 1.339 313 I CB -1.056 36.920 38.000 -0.040 0.000 1.039 313 I HN 0.169 nan 8.210 nan 0.000 0.409 314 G N 0.757 109.600 108.800 0.072 0.000 2.459 314 G HA2 -0.234 3.726 3.960 -0.001 0.000 0.217 314 G HA3 -0.234 3.726 3.960 -0.001 0.000 0.217 314 G C 1.663 176.621 174.900 0.096 0.000 1.183 314 G CA 0.955 46.098 45.100 0.072 0.000 0.776 314 G HN 0.335 nan 8.290 nan 0.000 0.552 315 I N 0.315 120.971 120.570 0.143 0.000 2.142 315 I HA -0.192 3.977 4.170 -0.001 0.000 0.240 315 I C 2.814 179.039 176.117 0.180 0.000 1.078 315 I CA 0.855 62.247 61.300 0.154 0.000 1.343 315 I CB -0.303 37.832 38.000 0.226 0.000 1.046 315 I HN 0.186 nan 8.210 nan 0.000 0.405 316 C N -0.279 119.136 119.300 0.192 0.000 2.435 316 C HA -0.087 4.373 4.460 -0.001 0.000 0.279 316 C C 3.072 178.202 174.990 0.233 0.000 1.321 316 C CA 0.962 60.111 59.018 0.217 0.000 1.752 316 C CB -0.955 26.882 27.740 0.162 0.000 1.959 316 C HN 0.465 nan 8.230 nan 0.000 0.500 317 S N 0.249 116.057 115.700 0.181 0.000 2.436 317 S HA -0.121 4.349 4.470 -0.001 0.000 0.228 317 S C 1.910 176.631 174.600 0.202 0.000 1.014 317 S CA 0.876 59.205 58.200 0.214 0.000 0.950 317 S CB -0.225 63.102 63.200 0.211 0.000 0.784 317 S HN 0.728 nan 8.310 nan 0.000 0.504 318 K N 0.974 121.433 120.400 0.097 0.000 2.026 318 K HA -0.153 4.166 4.320 -0.001 0.000 0.208 318 K C 1.804 178.386 176.600 -0.031 0.000 1.048 318 K CA 1.400 57.674 56.287 -0.021 0.000 0.929 318 K CB -0.204 32.199 32.500 -0.162 0.000 0.713 318 K HN 0.391 nan 8.250 nan 0.000 0.439 319 H N -1.085 118.080 119.070 0.157 0.000 2.363 319 H HA -0.113 4.442 4.556 -0.001 0.000 0.301 319 H C 1.969 177.405 175.328 0.180 0.000 1.074 319 H CA 1.446 57.581 56.048 0.144 0.000 1.354 319 H CB -0.452 29.387 29.762 0.127 0.000 1.397 319 H HN 0.300 nan 8.280 nan 0.000 0.516 320 Y N 1.853 122.298 120.300 0.242 0.000 2.049 320 Y HA -0.238 4.311 4.550 -0.001 0.000 0.277 320 Y C 2.539 178.560 175.900 0.201 0.000 1.143 320 Y CA 1.510 59.748 58.100 0.229 0.000 1.115 320 Y CB -0.686 37.903 38.460 0.215 0.000 0.975 320 Y HN -0.013 nan 8.280 nan 0.000 0.487 321 L N 0.164 121.544 121.223 0.262 0.000 2.265 321 L HA -0.253 4.086 4.340 -0.001 0.000 0.215 321 L C 2.546 179.465 176.870 0.082 0.000 1.117 321 L CA 1.207 56.120 54.840 0.121 0.000 0.782 321 L CB -0.582 41.531 42.059 0.089 0.000 0.914 321 L HN 0.401 nan 8.230 nan 0.000 0.441 322 Q N -0.603 119.246 119.800 0.082 0.000 2.061 322 Q HA -0.191 4.148 4.340 -0.001 0.000 0.204 322 Q C 2.100 178.130 176.000 0.050 0.000 0.984 322 Q CA 2.225 58.069 55.803 0.069 0.000 0.846 322 Q CB -0.037 28.756 28.738 0.091 0.000 0.902 322 Q HN 0.516 nan 8.270 nan 0.000 0.421 323 T N 0.078 114.651 114.554 0.031 0.000 2.901 323 T HA -0.056 4.293 4.350 -0.001 0.000 0.252 323 T C 1.332 176.002 174.700 -0.051 0.000 1.035 323 T CA 0.468 62.565 62.100 -0.005 0.000 1.142 323 T CB -0.422 68.452 68.868 0.010 0.000 0.869 323 T HN 0.264 nan 8.240 nan 0.000 0.442 324 F N 2.172 121.953 119.950 -0.282 0.000 2.085 324 F HA -0.193 4.334 4.527 -0.001 0.000 0.299 324 F C 1.794 177.468 175.800 -0.210 0.000 1.096 324 F CA 1.465 59.295 58.000 -0.283 0.000 1.227 324 F CB -0.395 38.387 39.000 -0.362 0.000 0.983 324 F HN 0.038 nan 8.300 nan 0.000 0.482 325 L N -0.054 121.244 121.223 0.125 0.000 2.291 325 L HA -0.158 4.182 4.340 -0.001 0.000 0.214 325 L C 2.156 178.981 176.870 -0.076 0.000 1.120 325 L CA 1.040 55.884 54.840 0.008 0.000 0.799 325 L CB -0.572 41.522 42.059 0.059 0.000 0.925 325 L HN 0.115 nan 8.230 nan 0.000 0.446 326 K N -0.153 120.206 120.400 -0.068 0.000 2.305 326 K HA -0.024 4.295 4.320 -0.001 0.000 0.199 326 K C 1.728 178.255 176.600 -0.122 0.000 1.047 326 K CA 1.216 57.459 56.287 -0.073 0.000 0.976 326 K CB 0.269 32.743 32.500 -0.043 0.000 0.765 326 K HN 0.360 nan 8.250 nan 0.000 0.474 327 V N -2.356 117.442 119.914 -0.194 0.000 3.635 327 V HA 0.075 4.194 4.120 -0.001 0.000 0.266 327 V C 1.762 177.694 176.094 -0.269 0.000 1.316 327 V CA -0.025 62.143 62.300 -0.219 0.000 1.060 327 V CB -0.163 31.517 31.823 -0.238 0.000 0.820 327 V HN -0.028 nan 8.190 nan 0.000 0.447 328 I N 2.299 122.632 120.570 -0.394 0.000 2.361 328 I HA -0.143 4.026 4.170 -0.001 0.000 0.251 328 I C 1.957 177.972 176.117 -0.170 0.000 1.133 328 I CA 1.730 62.764 61.300 -0.443 0.000 1.413 328 I CB -0.468 37.075 38.000 -0.763 0.000 1.073 328 I HN 0.277 nan 8.210 nan 0.000 0.424 329 D N -0.144 120.194 120.400 -0.104 0.000 2.097 329 D HA -0.148 4.492 4.640 -0.001 0.000 0.195 329 D C 2.188 178.503 176.300 0.024 0.000 0.989 329 D CA 2.149 56.146 54.000 -0.005 0.000 0.827 329 D CB -0.359 40.440 40.800 -0.002 0.000 0.966 329 D HN 0.386 nan 8.370 nan 0.000 0.456 330 T N 0.173 114.711 114.554 -0.026 0.000 2.770 330 T HA -0.065 4.284 4.350 -0.001 0.000 0.263 330 T C 2.334 177.071 174.700 0.061 0.000 1.039 330 T CA 0.706 62.809 62.100 0.006 0.000 1.142 330 T CB -0.638 68.187 68.868 -0.071 0.000 0.868 330 T HN -0.054 nan 8.240 nan 0.000 0.435 331 V N 1.738 121.625 119.914 -0.046 0.000 2.324 331 V HA -0.209 3.910 4.120 -0.001 0.000 0.250 331 V C 2.861 178.965 176.094 0.015 0.000 1.060 331 V CA 2.068 64.323 62.300 -0.076 0.000 1.042 331 V CB -0.951 30.747 31.823 -0.209 0.000 0.650 331 V HN 0.534 nan 8.190 nan 0.000 0.450 332 S N -0.921 114.809 115.700 0.051 0.000 2.402 332 S HA -0.189 4.280 4.470 -0.001 0.000 0.229 332 S C 1.844 176.483 174.600 0.065 0.000 1.021 332 S CA 1.665 59.910 58.200 0.076 0.000 0.974 332 S CB -0.436 62.822 63.200 0.097 0.000 0.800 332 S HN 0.616 nan 8.310 nan 0.000 0.484 333 F N 1.716 121.653 119.950 -0.020 0.000 2.134 333 F HA -0.050 4.476 4.527 -0.001 0.000 0.299 333 F C 1.942 177.750 175.800 0.013 0.000 1.097 333 F CA 1.477 59.470 58.000 -0.012 0.000 1.264 333 F CB -0.334 38.683 39.000 0.029 0.000 1.001 333 F HN 0.059 nan 8.300 nan 0.000 0.479 334 V N 0.362 120.403 119.914 0.212 0.000 2.323 334 V HA -0.248 3.872 4.120 -0.001 0.000 0.244 334 V C 2.623 178.745 176.094 0.047 0.000 1.041 334 V CA 1.753 64.186 62.300 0.223 0.000 1.025 334 V CB -1.130 30.814 31.823 0.202 0.000 0.656 334 V HN 0.557 nan 8.190 nan 0.000 0.451 335 S N 0.177 115.872 115.700 -0.008 0.000 2.440 335 S HA -0.300 4.169 4.470 -0.001 0.000 0.240 335 S C 1.532 176.061 174.600 -0.118 0.000 1.014 335 S CA 1.748 59.936 58.200 -0.020 0.000 0.980 335 S CB -0.686 62.531 63.200 0.028 0.000 0.775 335 S HN 0.602 nan 8.310 nan 0.000 0.499 336 D N 1.196 121.403 120.400 -0.321 0.000 2.221 336 D HA -0.042 4.597 4.640 -0.001 0.000 0.204 336 D C 1.045 177.022 176.300 -0.538 0.000 0.982 336 D CA 0.984 54.672 54.000 -0.521 0.000 0.857 336 D CB -0.376 39.919 40.800 -0.842 0.000 0.934 336 D HN 0.591 nan 8.370 nan 0.000 0.475 337 F N 0.352 120.232 119.950 -0.116 0.000 2.776 337 F HA 0.116 4.643 4.527 -0.001 0.000 0.300 337 F C 0.948 176.727 175.800 -0.035 0.000 1.116 337 F CA -0.375 57.577 58.000 -0.080 0.000 1.375 337 F CB 0.031 38.982 39.000 -0.081 0.000 1.109 337 F HN -0.199 nan 8.300 nan 0.000 0.585 338 I N 4.508 125.138 120.570 0.099 0.000 2.587 338 I HA 0.053 4.223 4.170 -0.001 0.000 0.284 338 I C -1.915 174.237 176.117 0.058 0.000 1.134 338 I CA -2.804 58.544 61.300 0.080 0.000 1.410 338 I CB -0.513 37.526 38.000 0.065 0.000 1.392 338 I HN -0.118 nan 8.210 nan 0.000 0.545 339 P HA 0.117 nan 4.420 nan 0.000 0.269 339 P C -0.743 176.588 177.300 0.052 0.000 1.209 339 P CA -0.292 62.836 63.100 0.046 0.000 0.776 339 P CB 0.755 32.481 31.700 0.043 0.000 0.876 340 K N 2.473 122.904 120.400 0.052 0.000 2.521 340 K HA 0.254 4.573 4.320 -0.001 0.000 0.248 340 K C 0.440 177.118 176.600 0.129 0.000 0.978 340 K CA -0.364 55.966 56.287 0.073 0.000 0.947 340 K CB 0.621 33.153 32.500 0.054 0.000 1.165 340 K HN 0.250 nan 8.250 nan 0.000 0.445 341 N N 3.395 122.174 118.700 0.132 0.000 2.389 341 N HA 0.076 4.815 4.740 -0.001 0.000 0.237 341 N C -0.346 175.222 175.510 0.097 0.000 1.148 341 N CA 0.205 53.372 53.050 0.195 0.000 0.854 341 N CB 0.345 38.879 38.487 0.078 0.000 1.115 341 N HN 0.307 nan 8.380 nan 0.000 0.492 342 R N -0.199 120.374 120.500 0.122 0.000 2.869 342 R HA 0.269 4.608 4.340 -0.001 0.000 0.263 342 R C -0.850 175.543 176.300 0.155 0.000 1.066 342 R CA -0.606 55.497 56.100 0.004 0.000 0.960 342 R CB 0.585 30.867 30.300 -0.030 0.000 1.221 342 R HN -0.056 nan 8.270 nan 0.000 0.474 343 D N 2.340 122.784 120.400 0.073 0.000 2.619 343 D HA 0.134 4.773 4.640 -0.001 0.000 0.224 343 D C 0.027 176.356 176.300 0.048 0.000 1.133 343 D CA 0.109 54.174 54.000 0.108 0.000 1.017 343 D CB 0.326 41.173 40.800 0.078 0.000 1.077 343 D HN -0.032 nan 8.370 nan 0.000 0.503 344 R N 0.714 121.244 120.500 0.051 0.000 2.539 344 R HA 0.323 4.663 4.340 -0.001 0.000 0.275 344 R C 0.508 176.822 176.300 0.024 0.000 1.077 344 R CA -0.642 55.474 56.100 0.025 0.000 1.097 344 R CB 1.444 31.760 30.300 0.026 0.000 1.018 344 R HN 0.208 nan 8.270 nan 0.000 0.483 345 L N 2.982 124.216 121.223 0.018 0.000 2.410 345 L HA 0.034 4.373 4.340 -0.001 0.000 0.273 345 L C 0.742 177.620 176.870 0.014 0.000 1.152 345 L CA 0.103 54.955 54.840 0.020 0.000 0.855 345 L CB 0.276 42.349 42.059 0.023 0.000 1.129 345 L HN 0.795 nan 8.230 nan 0.000 0.463 360 N N 3.466 122.207 118.700 0.067 0.000 2.425 360 N HA 0.409 5.149 4.740 -0.001 0.000 0.268 360 N C 0.671 176.275 175.510 0.156 0.000 0.991 360 N CA -0.564 52.549 53.050 0.105 0.000 0.931 360 N CB 1.167 39.708 38.487 0.089 0.000 1.130 360 N HN 0.622 nan 8.380 nan 0.000 0.493 361 L N 2.621 123.902 121.223 0.098 0.000 2.072 361 L HA -0.103 4.236 4.340 -0.001 0.000 0.205 361 L C 1.205 178.118 176.870 0.071 0.000 1.079 361 L CA 1.122 56.019 54.840 0.094 0.000 0.752 361 L CB -0.204 41.894 42.059 0.065 0.000 0.906 361 L HN 0.501 nan 8.230 nan 0.000 0.436 362 D N 0.000 120.432 120.400 0.052 0.000 2.182 362 D HA -0.167 4.473 4.640 -0.001 0.000 0.201 362 D C 1.918 178.234 176.300 0.026 0.000 0.986 362 D CA 0.856 54.877 54.000 0.034 0.000 0.847 362 D CB -0.082 40.733 40.800 0.025 0.000 0.942 362 D HN 0.207 nan 8.370 nan 0.000 0.467 363 N N -0.328 118.392 118.700 0.032 0.000 2.270 363 N HA -0.069 4.671 4.740 -0.001 0.000 0.181 363 N C 1.801 177.300 175.510 -0.019 0.000 1.016 363 N CA 0.385 53.439 53.050 0.006 0.000 0.870 363 N CB -0.164 38.329 38.487 0.011 0.000 0.979 363 N HN 0.121 nan 8.380 nan 0.000 0.431 364 V N 1.498 121.417 119.914 0.007 0.000 2.255 364 V HA -0.127 3.992 4.120 -0.001 0.000 0.243 364 V C 2.485 178.577 176.094 -0.003 0.000 1.038 364 V CA 1.711 64.001 62.300 -0.017 0.000 1.008 364 V CB -1.161 30.696 31.823 0.057 0.000 0.645 364 V HN 0.240 nan 8.190 nan 0.000 0.449 365 A N 0.205 123.038 122.820 0.020 0.000 1.903 365 A HA -0.330 3.989 4.320 -0.001 0.000 0.219 365 A C 1.886 179.472 177.584 0.003 0.000 1.191 365 A CA 2.320 54.367 52.037 0.016 0.000 0.638 365 A CB -0.918 18.096 19.000 0.022 0.000 0.823 365 A HN 0.542 nan 8.150 nan 0.000 0.451 366 D N -0.418 119.981 120.400 -0.002 0.000 2.393 366 D HA -0.090 4.549 4.640 -0.001 0.000 0.220 366 D C 1.527 177.815 176.300 -0.020 0.000 0.974 366 D CA 0.762 54.757 54.000 -0.009 0.000 0.931 366 D CB -0.178 40.615 40.800 -0.012 0.000 0.889 366 D HN 0.552 nan 8.370 nan 0.000 0.512 367 L N -0.652 120.555 121.223 -0.027 0.000 2.416 367 L HA 0.108 4.448 4.340 -0.001 0.000 0.216 367 L C 0.971 177.823 176.870 -0.030 0.000 1.098 367 L CA -0.019 54.797 54.840 -0.040 0.000 0.840 367 L CB 0.430 42.452 42.059 -0.062 0.000 0.981 367 L HN -0.158 nan 8.230 nan 0.000 0.462 368 V N 0.432 120.337 119.914 -0.014 0.000 2.644 368 V HA 0.092 4.211 4.120 -0.001 0.000 0.295 368 V C 0.961 177.057 176.094 0.002 0.000 1.053 368 V CA -0.034 62.265 62.300 -0.002 0.000 0.987 368 V CB 1.935 33.767 31.823 0.015 0.000 1.006 368 V HN 0.201 nan 8.190 nan 0.000 0.472 369 K N 1.976 122.380 120.400 0.007 0.000 2.128 369 K HA 0.048 4.368 4.320 -0.001 0.000 0.202 369 K C 0.461 177.072 176.600 0.018 0.000 1.050 369 K CA 0.253 56.546 56.287 0.010 0.000 0.966 369 K CB -0.020 32.486 32.500 0.010 0.000 0.759 369 K HN 0.758 nan 8.250 nan 0.000 0.454 370 D N 1.916 122.334 120.400 0.030 0.000 2.426 370 D HA -0.092 4.548 4.640 -0.001 0.000 0.261 370 D C 0.851 177.167 176.300 0.025 0.000 1.245 370 D CA 0.390 54.410 54.000 0.033 0.000 0.917 370 D CB 1.082 41.914 40.800 0.053 0.000 1.123 370 D HN -0.007 nan 8.370 nan 0.000 0.508 371 E N 3.205 123.416 120.200 0.019 0.000 2.058 371 E HA -0.190 4.159 4.350 -0.001 0.000 0.194 371 E C 1.923 178.533 176.600 0.017 0.000 0.997 371 E CA 1.785 58.194 56.400 0.015 0.000 0.801 371 E CB -0.404 29.303 29.700 0.012 0.000 0.746 371 E HN 0.450 nan 8.360 nan 0.000 0.450 372 V N -0.609 119.316 119.914 0.017 0.000 2.427 372 V HA -0.146 3.974 4.120 -0.001 0.000 0.248 372 V C 2.247 178.353 176.094 0.020 0.000 1.051 372 V CA 1.689 63.999 62.300 0.018 0.000 1.048 372 V CB -0.613 31.220 31.823 0.017 0.000 0.666 372 V HN 0.288 nan 8.190 nan 0.000 0.456 373 L N 1.149 122.388 121.223 0.027 0.000 1.994 373 L HA -0.097 4.243 4.340 -0.001 0.000 0.208 373 L C 2.632 179.516 176.870 0.023 0.000 1.071 373 L CA 2.710 57.567 54.840 0.029 0.000 0.745 373 L CB -1.235 40.853 42.059 0.048 0.000 0.892 373 L HN 0.518 nan 8.230 nan 0.000 0.431 374 K N -1.309 119.105 120.400 0.023 0.000 2.127 374 K HA -0.271 4.048 4.320 -0.001 0.000 0.208 374 K C 2.042 178.652 176.600 0.018 0.000 1.047 374 K CA 1.746 58.045 56.287 0.020 0.000 0.927 374 K CB -0.008 32.502 32.500 0.017 0.000 0.716 374 K HN 0.378 nan 8.250 nan 0.000 0.450 375 Q N 0.619 120.429 119.800 0.017 0.000 2.083 375 Q HA -0.143 4.196 4.340 -0.001 0.000 0.198 375 Q C 1.797 177.806 176.000 0.015 0.000 0.969 375 Q CA 1.918 57.730 55.803 0.016 0.000 0.838 375 Q CB -0.081 28.666 28.738 0.015 0.000 0.900 375 Q HN 0.644 nan 8.270 nan 0.000 0.436 376 E N -0.276 119.931 120.200 0.012 0.000 2.208 376 E HA -0.060 4.289 4.350 -0.001 0.000 0.193 376 E C 1.963 178.566 176.600 0.005 0.000 0.988 376 E CA 0.488 56.891 56.400 0.006 0.000 0.828 376 E CB -0.180 29.518 29.700 -0.003 0.000 0.763 376 E HN 0.277 nan 8.360 nan 0.000 0.478 377 I N 1.401 121.977 120.570 0.010 0.000 2.141 377 I HA -0.245 3.925 4.170 -0.001 0.000 0.236 377 I C 2.481 178.615 176.117 0.028 0.000 1.071 377 I CA 1.006 62.318 61.300 0.020 0.000 1.345 377 I CB -0.231 37.786 38.000 0.029 0.000 1.066 377 I HN 0.055 nan 8.210 nan 0.000 0.406 378 L N 0.575 121.814 121.223 0.027 0.000 2.189 378 L HA -0.171 4.169 4.340 -0.001 0.000 0.214 378 L C 1.361 178.248 176.870 0.028 0.000 1.097 378 L CA 1.001 55.858 54.840 0.028 0.000 0.764 378 L CB -0.516 41.557 42.059 0.023 0.000 0.900 378 L HN 0.346 nan 8.230 nan 0.000 0.436 379 S N -0.247 115.468 115.700 0.025 0.000 3.208 379 S HA 0.478 4.947 4.470 -0.001 0.000 0.195 379 S C -0.147 174.470 174.600 0.027 0.000 1.394 379 S CA -0.537 57.678 58.200 0.025 0.000 1.127 379 S CB -0.483 62.730 63.200 0.021 0.000 1.282 379 S HN 0.148 nan 8.310 nan 0.000 0.513 380 I N 1.863 122.452 120.570 0.033 0.000 2.420 380 I HA 0.241 4.410 4.170 -0.001 0.000 0.282 380 I C -0.357 175.788 176.117 0.046 0.000 1.019 380 I CA -0.752 60.571 61.300 0.039 0.000 1.130 380 I CB 1.362 39.387 38.000 0.041 0.000 1.262 380 I HN 0.237 nan 8.210 nan 0.000 0.454 381 D N 5.805 126.232 120.400 0.045 0.000 2.402 381 D HA -0.073 4.567 4.640 -0.001 0.000 0.268 381 D C 0.915 177.258 176.300 0.071 0.000 1.294 381 D CA 0.373 54.404 54.000 0.052 0.000 0.945 381 D CB 0.600 41.428 40.800 0.046 0.000 1.112 381 D HN 0.544 nan 8.370 nan 0.000 0.517 382 N N 1.237 119.987 118.700 0.082 0.000 2.368 382 N HA -0.115 4.625 4.740 -0.001 0.000 0.178 382 N C 0.880 176.478 175.510 0.146 0.000 1.076 382 N CA 0.165 53.291 53.050 0.127 0.000 0.889 382 N CB -0.557 38.008 38.487 0.129 0.000 1.040 382 N HN 0.260 nan 8.380 nan 0.000 0.463 383 S N 0.139 115.895 115.700 0.093 0.000 3.110 383 S HA 0.065 4.535 4.470 -0.001 0.000 0.253 383 S C 0.087 174.735 174.600 0.079 0.000 1.074 383 S CA -0.308 57.935 58.200 0.072 0.000 1.201 383 S CB -0.618 62.608 63.200 0.043 0.000 0.889 383 S HN 0.010 nan 8.310 nan 0.000 0.490 384 K N 1.617 122.091 120.400 0.122 0.000 2.159 384 K HA 0.392 4.712 4.320 -0.001 0.000 0.266 384 K C -0.359 176.355 176.600 0.190 0.000 0.975 384 K CA -0.467 55.897 56.287 0.128 0.000 0.865 384 K CB 1.446 34.019 32.500 0.121 0.000 1.087 384 K HN 0.300 nan 8.250 nan 0.000 0.446 385 E N 2.379 122.653 120.200 0.123 0.000 2.229 385 E HA 0.174 4.524 4.350 -0.001 0.000 0.283 385 E C -1.251 175.440 176.600 0.152 0.000 1.030 385 E CA -0.162 56.278 56.400 0.067 0.000 0.836 385 E CB 0.325 30.036 29.700 0.019 0.000 1.068 385 E HN 0.360 nan 8.360 nan 0.000 0.401 386 Y N 1.092 121.426 120.300 0.057 0.000 2.553 386 Y HA 0.770 5.319 4.550 -0.001 0.000 0.347 386 Y C -0.720 175.219 175.900 0.065 0.000 1.019 386 Y CA -1.799 56.340 58.100 0.065 0.000 1.032 386 Y CB 1.058 39.571 38.460 0.089 0.000 1.284 386 Y HN 0.400 nan 8.280 nan 0.000 0.466 387 A N 2.662 125.616 122.820 0.223 0.000 2.343 387 A HA 0.468 4.788 4.320 -0.001 0.000 0.305 387 A C -0.488 177.244 177.584 0.246 0.000 1.308 387 A CA -0.576 51.549 52.037 0.147 0.000 0.949 387 A CB -0.243 18.818 19.000 0.102 0.000 1.148 387 A HN 1.079 nan 8.150 nan 0.000 0.545 388 V N 5.921 125.969 119.914 0.223 0.000 2.427 388 V HA 0.377 4.496 4.120 -0.001 0.000 0.268 388 V C -2.002 174.209 176.094 0.196 0.000 1.046 388 V CA -1.507 60.971 62.300 0.297 0.000 0.970 388 V CB 0.368 32.344 31.823 0.255 0.000 1.001 388 V HN 0.808 nan 8.190 nan 0.000 0.476 389 P HA 0.332 nan 4.420 nan 0.000 0.273 389 P C -0.475 176.933 177.300 0.180 0.000 1.250 389 P CA -0.467 62.745 63.100 0.188 0.000 0.793 389 P CB 0.377 32.227 31.700 0.250 0.000 1.011 390 R N 0.382 120.977 120.500 0.157 0.000 2.539 390 R HA 0.255 4.594 4.340 -0.001 0.000 0.275 390 R C 1.363 177.794 176.300 0.219 0.000 1.077 390 R CA 0.085 56.276 56.100 0.152 0.000 1.097 390 R CB 0.359 30.731 30.300 0.121 0.000 1.018 390 R HN 0.574 nan 8.270 nan 0.000 0.483 391 A N 3.714 126.657 122.820 0.205 0.000 1.917 391 A HA -0.205 4.115 4.320 -0.001 0.000 0.219 391 A C 2.126 179.923 177.584 0.355 0.000 1.182 391 A CA 1.561 53.764 52.037 0.277 0.000 0.633 391 A CB -0.496 18.625 19.000 0.202 0.000 0.819 391 A HN 0.753 nan 8.150 nan 0.000 0.448 392 I N -0.036 120.690 120.570 0.259 0.000 2.286 392 I HA -0.239 3.930 4.170 -0.001 0.000 0.248 392 I C 2.600 178.845 176.117 0.214 0.000 1.115 392 I CA 1.547 62.984 61.300 0.229 0.000 1.392 392 I CB -0.145 37.962 38.000 0.179 0.000 1.065 392 I HN 0.280 nan 8.210 nan 0.000 0.418 393 S N 0.548 116.371 115.700 0.204 0.000 2.371 393 S HA -0.138 4.331 4.470 -0.001 0.000 0.224 393 S C 1.828 176.533 174.600 0.175 0.000 1.029 393 S CA 0.844 59.136 58.200 0.154 0.000 0.978 393 S CB -0.558 62.714 63.200 0.119 0.000 0.833 393 S HN 0.406 nan 8.310 nan 0.000 0.466 394 F N 3.019 123.038 119.950 0.115 0.000 2.043 394 F HA -0.266 4.261 4.527 -0.001 0.000 0.297 394 F C 2.431 178.298 175.800 0.113 0.000 1.118 394 F CA 2.062 60.132 58.000 0.117 0.000 1.202 394 F CB -1.129 37.984 39.000 0.189 0.000 0.965 394 F HN 0.106 nan 8.300 nan 0.000 0.482 395 T N 0.123 114.871 114.554 0.323 0.000 2.652 395 T HA -0.146 4.204 4.350 -0.001 0.000 0.267 395 T C 2.124 176.899 174.700 0.125 0.000 1.039 395 T CA 1.602 63.832 62.100 0.216 0.000 1.153 395 T CB -1.363 67.757 68.868 0.419 0.000 0.863 395 T HN 0.513 nan 8.240 nan 0.000 0.428 396 G N 1.241 110.107 108.800 0.109 0.000 2.476 396 G HA2 -0.164 3.795 3.960 -0.001 0.000 0.218 396 G HA3 -0.164 3.795 3.960 -0.001 0.000 0.218 396 G C 1.826 176.751 174.900 0.041 0.000 1.164 396 G CA 1.151 46.291 45.100 0.067 0.000 0.768 396 G HN 0.608 nan 8.290 nan 0.000 0.560 397 A N 0.271 123.072 122.820 -0.031 0.000 1.898 397 A HA 0.056 4.375 4.320 -0.001 0.000 0.216 397 A C 2.480 179.973 177.584 -0.152 0.000 1.181 397 A CA 1.966 53.961 52.037 -0.071 0.000 0.620 397 A CB -0.342 18.602 19.000 -0.092 0.000 0.819 397 A HN 0.298 nan 8.150 nan 0.000 0.442 398 M N -1.641 117.772 119.600 -0.311 0.000 2.065 398 M HA -0.178 4.301 4.480 -0.001 0.000 0.259 398 M C 2.183 178.347 176.300 -0.226 0.000 1.069 398 M CA 1.640 56.702 55.300 -0.396 0.000 1.110 398 M CB -1.471 30.764 32.600 -0.608 0.000 1.328 398 M HN 0.554 nan 8.290 nan 0.000 0.405 399 Y N 0.800 120.990 120.300 -0.183 0.000 2.151 399 Y HA -0.237 4.312 4.550 -0.001 0.000 0.284 399 Y C 2.636 178.501 175.900 -0.059 0.000 1.166 399 Y CA 2.005 60.058 58.100 -0.078 0.000 1.163 399 Y CB -0.859 37.578 38.460 -0.038 0.000 0.974 399 Y HN 0.314 nan 8.280 nan 0.000 0.511 400 T N -0.005 114.597 114.554 0.080 0.000 2.962 400 T HA -0.113 4.237 4.350 -0.001 0.000 0.270 400 T C 1.431 176.100 174.700 -0.051 0.000 1.088 400 T CA 0.971 63.082 62.100 0.019 0.000 1.127 400 T CB -0.326 68.558 68.868 0.025 0.000 0.883 400 T HN 0.212 nan 8.240 nan 0.000 0.493 401 L N 0.592 121.758 121.223 -0.096 0.000 2.627 401 L HA 0.322 4.662 4.340 -0.001 0.000 0.232 401 L C 1.629 178.400 176.870 -0.164 0.000 1.150 401 L CA -0.072 54.685 54.840 -0.139 0.000 0.917 401 L CB -0.395 41.558 42.059 -0.177 0.000 1.104 401 L HN 0.361 nan 8.230 nan 0.000 0.445 402 G N 0.801 109.527 108.800 -0.122 0.000 2.221 402 G HA2 -0.314 3.645 3.960 -0.001 0.000 0.265 402 G HA3 -0.314 3.645 3.960 -0.001 0.000 0.265 402 G C 0.219 175.015 174.900 -0.174 0.000 1.041 402 G CA 0.285 45.330 45.100 -0.092 0.000 0.807 402 G HN 0.390 nan 8.290 nan 0.000 0.502 403 M N -0.096 119.304 119.600 -0.333 0.000 2.126 403 M HA 0.243 4.722 4.480 -0.001 0.000 0.217 403 M C -2.859 173.136 176.300 -0.509 0.000 0.873 403 M CA -1.712 53.207 55.300 -0.635 0.000 0.707 403 M CB 1.870 33.825 32.600 -1.075 0.000 1.515 403 M HN -0.176 nan 8.290 nan 0.000 0.369 404 P HA -0.015 nan 4.420 nan 0.000 0.261 404 P C -1.830 175.285 177.300 -0.310 0.000 1.183 404 P CA -0.407 62.210 63.100 -0.804 0.000 0.761 404 P CB 0.069 31.408 31.700 -0.602 0.000 0.785 405 P HA -0.126 nan 4.420 nan 0.000 0.223 405 P C 0.974 178.270 177.300 -0.007 0.000 1.151 405 P CA 1.228 64.135 63.100 -0.321 0.000 0.787 405 P CB 0.151 31.312 31.700 -0.897 0.000 0.788 406 E N -0.148 120.135 120.200 0.138 0.000 2.187 406 E HA -0.171 4.178 4.350 -0.001 0.000 0.199 406 E C 1.738 178.542 176.600 0.340 0.000 1.004 406 E CA 1.105 57.770 56.400 0.443 0.000 0.813 406 E CB -0.932 29.006 29.700 0.396 0.000 0.736 406 E HN 0.220 nan 8.360 nan 0.000 0.468 407 L N -0.410 120.964 121.223 0.252 0.000 2.375 407 L HA 0.122 4.462 4.340 -0.001 0.000 0.215 407 L C 1.055 178.018 176.870 0.156 0.000 1.108 407 L CA 0.387 55.307 54.840 0.134 0.000 0.830 407 L CB -0.199 41.817 42.059 -0.072 0.000 0.959 407 L HN 0.191 nan 8.230 nan 0.000 0.457 408 M N -0.146 119.673 119.600 0.366 0.000 2.303 408 M HA 0.269 4.748 4.480 -0.001 0.000 0.350 408 M C 1.343 177.876 176.300 0.387 0.000 1.518 408 M CA 1.090 56.626 55.300 0.392 0.000 1.070 408 M CB 0.028 32.848 32.600 0.367 0.000 1.910 408 M HN 0.327 nan 8.290 nan 0.000 0.458 409 G N 4.237 113.192 108.800 0.259 0.000 2.284 409 G HA2 -0.282 3.677 3.960 -0.001 0.000 0.261 409 G HA3 -0.282 3.677 3.960 -0.001 0.000 0.261 409 G C 0.623 175.651 174.900 0.214 0.000 0.997 409 G CA 0.617 45.890 45.100 0.288 0.000 0.621 409 G HN 0.633 nan 8.290 nan 0.000 0.534 410 M N 0.818 120.534 119.600 0.193 0.000 2.388 410 M HA 0.183 4.663 4.480 -0.001 0.000 0.265 410 M C 2.596 178.924 176.300 0.046 0.000 1.088 410 M CA 1.590 56.974 55.300 0.140 0.000 1.134 410 M CB -1.494 31.214 32.600 0.181 0.000 1.384 410 M HN 0.306 nan 8.290 nan 0.000 0.447 411 G N 1.207 110.029 108.800 0.036 0.000 2.552 411 G HA2 -0.227 3.732 3.960 -0.001 0.000 0.216 411 G HA3 -0.227 3.732 3.960 -0.001 0.000 0.216 411 G C 1.758 176.600 174.900 -0.097 0.000 1.240 411 G CA 0.634 45.769 45.100 0.057 0.000 0.796 411 G HN 0.377 nan 8.290 nan 0.000 0.568 412 R N 0.618 121.033 120.500 -0.142 0.000 2.119 412 R HA -0.129 4.210 4.340 -0.001 0.000 0.246 412 R C 2.975 178.903 176.300 -0.620 0.000 1.146 412 R CA 1.409 57.206 56.100 -0.506 0.000 0.962 412 R CB -0.496 29.505 30.300 -0.498 0.000 0.863 412 R HN 0.374 nan 8.270 nan 0.000 0.442 413 A N 1.106 123.730 122.820 -0.327 0.000 1.898 413 A HA -0.103 4.217 4.320 -0.001 0.000 0.216 413 A C 2.202 179.724 177.584 -0.104 0.000 1.181 413 A CA 1.031 53.038 52.037 -0.048 0.000 0.620 413 A CB -0.473 18.619 19.000 0.153 0.000 0.819 413 A HN 0.188 nan 8.150 nan 0.000 0.442 414 L N -0.130 121.012 121.223 -0.136 0.000 2.079 414 L HA -0.221 4.118 4.340 -0.001 0.000 0.210 414 L C 2.626 179.386 176.870 -0.183 0.000 1.081 414 L CA 1.607 56.359 54.840 -0.146 0.000 0.752 414 L CB -0.545 41.457 42.059 -0.095 0.000 0.896 414 L HN 0.600 nan 8.230 nan 0.000 0.433 415 N N 0.228 118.733 118.700 -0.324 0.000 2.142 415 N HA -0.249 4.490 4.740 -0.001 0.000 0.186 415 N C 1.845 177.218 175.510 -0.227 0.000 1.023 415 N CA 1.417 54.227 53.050 -0.400 0.000 0.852 415 N CB 0.165 38.055 38.487 -0.995 0.000 0.998 415 N HN 0.419 nan 8.380 nan 0.000 0.424 416 E N 0.576 120.670 120.200 -0.177 0.000 2.106 416 E HA -0.105 4.244 4.350 -0.001 0.000 0.192 416 E C 2.139 178.776 176.600 0.062 0.000 0.984 416 E CA 0.701 57.095 56.400 -0.010 0.000 0.806 416 E CB -0.030 29.751 29.700 0.136 0.000 0.750 416 E HN 0.400 nan 8.360 nan 0.000 0.458 417 I N 0.887 121.477 120.570 0.032 0.000 2.226 417 I HA -0.256 3.913 4.170 -0.001 0.000 0.245 417 I C 2.688 178.892 176.117 0.144 0.000 1.100 417 I CA 1.252 62.614 61.300 0.103 0.000 1.374 417 I CB -0.219 37.661 38.000 -0.199 0.000 1.057 417 I HN 0.102 nan 8.210 nan 0.000 0.413 418 K N 0.555 120.971 120.400 0.026 0.000 2.097 418 K HA -0.178 4.141 4.320 -0.001 0.000 0.205 418 K C 2.187 178.813 176.600 0.044 0.000 1.050 418 K CA 1.926 58.236 56.287 0.038 0.000 0.938 418 K CB -0.084 32.412 32.500 -0.005 0.000 0.718 418 K HN 0.459 nan 8.250 nan 0.000 0.442 419 T N -0.790 113.774 114.554 0.017 0.000 2.708 419 T HA -0.137 4.212 4.350 -0.001 0.000 0.266 419 T C 1.738 176.433 174.700 -0.007 0.000 1.037 419 T CA 1.252 63.355 62.100 0.006 0.000 1.146 419 T CB -0.169 68.696 68.868 -0.005 0.000 0.865 419 T HN 0.223 nan 8.240 nan 0.000 0.435 420 K N -0.004 120.392 120.400 -0.007 0.000 2.076 420 K HA 0.056 4.376 4.320 -0.001 0.000 0.204 420 K C 1.583 177.992 176.600 -0.318 0.000 1.051 420 K CA 1.197 57.378 56.287 -0.177 0.000 0.949 420 K CB -0.065 32.302 32.500 -0.222 0.000 0.726 420 K HN 0.492 nan 8.250 nan 0.000 0.443 421 Y N -0.015 120.331 120.300 0.075 0.000 2.481 421 Y HA 0.219 4.768 4.550 -0.001 0.000 0.247 421 Y C 1.007 176.945 175.900 0.064 0.000 1.151 421 Y CA -0.018 58.138 58.100 0.092 0.000 1.238 421 Y CB 0.911 39.474 38.460 0.171 0.000 1.179 421 Y HN 0.174 nan 8.280 nan 0.000 0.524 422 G N 0.867 109.752 108.800 0.143 0.000 2.749 422 G HA2 -0.410 3.549 3.960 -0.001 0.000 0.242 422 G HA3 -0.410 3.549 3.960 -0.001 0.000 0.242 422 G C 0.549 175.505 174.900 0.094 0.000 1.364 422 G CA 0.432 45.587 45.100 0.092 0.000 0.888 422 G HN 0.240 nan 8.290 nan 0.000 0.566 423 Q N -0.206 119.632 119.800 0.064 0.000 2.181 423 Q HA -0.073 4.266 4.340 -0.001 0.000 0.205 423 Q C 2.485 178.524 176.000 0.065 0.000 0.980 423 Q CA 2.669 58.503 55.803 0.051 0.000 0.862 423 Q CB -0.329 28.431 28.738 0.037 0.000 0.905 423 Q HN 0.824 nan 8.270 nan 0.000 0.429 424 E N -1.660 118.590 120.200 0.085 0.000 2.265 424 E HA -0.138 4.211 4.350 -0.001 0.000 0.196 424 E C 1.560 178.237 176.600 0.128 0.000 0.996 424 E CA 1.162 57.620 56.400 0.097 0.000 0.832 424 E CB -0.372 29.388 29.700 0.100 0.000 0.756 424 E HN 0.478 nan 8.360 nan 0.000 0.491 425 G N 0.962 109.861 108.800 0.165 0.000 2.426 425 G HA2 -0.086 3.874 3.960 -0.001 0.000 0.214 425 G HA3 -0.086 3.874 3.960 -0.001 0.000 0.214 425 G C 1.518 176.463 174.900 0.076 0.000 1.156 425 G CA 0.375 45.592 45.100 0.195 0.000 0.802 425 G HN 0.190 nan 8.290 nan 0.000 0.534 426 I N 1.733 122.317 120.570 0.024 0.000 2.252 426 I HA -0.067 4.102 4.170 -0.001 0.000 0.245 426 I C 2.114 178.233 176.117 0.004 0.000 1.102 426 I CA 1.076 62.355 61.300 -0.034 0.000 1.385 426 I CB -0.872 37.111 38.000 -0.028 0.000 1.064 426 I HN 0.056 nan 8.210 nan 0.000 0.414 427 D N 1.150 121.570 120.400 0.033 0.000 2.123 427 D HA -0.212 4.428 4.640 -0.001 0.000 0.196 427 D C 2.128 178.463 176.300 0.059 0.000 0.992 427 D CA 1.330 55.353 54.000 0.039 0.000 0.833 427 D CB -0.071 40.755 40.800 0.043 0.000 0.954 427 D HN 0.111 nan 8.370 nan 0.000 0.455 428 K N 0.562 121.016 120.400 0.089 0.000 2.009 428 K HA -0.114 4.206 4.320 -0.001 0.000 0.210 428 K C 1.985 178.677 176.600 0.154 0.000 1.049 428 K CA 0.594 56.956 56.287 0.124 0.000 0.929 428 K CB -0.775 31.817 32.500 0.154 0.000 0.714 428 K HN 0.068 nan 8.250 nan 0.000 0.440 429 L N 0.664 121.984 121.223 0.162 0.000 2.081 429 L HA -0.113 4.226 4.340 -0.001 0.000 0.212 429 L C 1.798 178.737 176.870 0.115 0.000 1.080 429 L CA 1.707 56.641 54.840 0.156 0.000 0.754 429 L CB -0.394 41.632 42.059 -0.055 0.000 0.893 429 L HN 0.285 nan 8.230 nan 0.000 0.433 430 L N -0.956 120.298 121.223 0.051 0.000 2.395 430 L HA -0.101 4.239 4.340 -0.001 0.000 0.218 430 L C 2.465 179.369 176.870 0.057 0.000 1.130 430 L CA 0.918 55.770 54.840 0.019 0.000 0.826 430 L CB -0.316 41.737 42.059 -0.011 0.000 0.941 430 L HN 0.434 nan 8.230 nan 0.000 0.451 431 E N 0.489 120.740 120.200 0.085 0.000 2.122 431 E HA -0.133 4.216 4.350 -0.001 0.000 0.190 431 E C 2.276 178.954 176.600 0.131 0.000 0.977 431 E CA 0.628 57.079 56.400 0.084 0.000 0.820 431 E CB 0.188 29.934 29.700 0.076 0.000 0.770 431 E HN 0.469 nan 8.360 nan 0.000 0.462 432 I N 0.211 120.899 120.570 0.197 0.000 2.233 432 I HA -0.204 3.966 4.170 -0.001 0.000 0.243 432 I C 1.067 177.350 176.117 0.277 0.000 1.093 432 I CA 0.735 62.211 61.300 0.294 0.000 1.380 432 I CB 0.151 38.324 38.000 0.289 0.000 1.067 432 I HN 0.154 nan 8.210 nan 0.000 0.413 433 Y N 3.031 123.370 120.300 0.064 0.000 2.638 433 Y HA 0.355 4.905 4.550 -0.001 0.000 0.367 433 Y C -2.059 173.845 175.900 0.006 0.000 1.001 433 Y CA -4.003 54.101 58.100 0.008 0.000 1.133 433 Y CB -0.367 38.103 38.460 0.016 0.000 1.199 433 Y HN -0.018 nan 8.280 nan 0.000 0.642 434 P HA -0.263 nan 4.420 nan 0.000 0.216 434 P C 1.857 179.149 177.300 -0.014 0.000 1.157 434 P CA 1.620 64.744 63.100 0.039 0.000 0.880 434 P CB 0.527 32.255 31.700 0.046 0.000 0.791 435 I N -1.063 119.544 120.570 0.061 0.000 3.164 435 I HA -0.176 3.994 4.170 -0.001 0.000 0.278 435 I C 1.987 178.067 176.117 -0.061 0.000 1.320 435 I CA 0.280 61.622 61.300 0.069 0.000 1.422 435 I CB -0.336 37.784 38.000 0.200 0.000 1.066 435 I HN -0.183 nan 8.210 nan 0.000 0.503 436 L N 0.988 121.917 121.223 -0.491 0.000 2.013 436 L HA -0.253 4.086 4.340 -0.001 0.000 0.212 436 L C 2.455 179.182 176.870 -0.239 0.000 1.073 436 L CA 1.943 56.317 54.840 -0.778 0.000 0.753 436 L CB -0.739 40.641 42.059 -1.131 0.000 0.890 436 L HN 0.202 nan 8.230 nan 0.000 0.432 437 R N -0.732 119.686 120.500 -0.137 0.000 2.096 437 R HA -0.168 4.171 4.340 -0.001 0.000 0.235 437 R C 2.384 178.716 176.300 0.054 0.000 1.127 437 R CA 1.533 57.614 56.100 -0.030 0.000 0.968 437 R CB -0.231 30.056 30.300 -0.020 0.000 0.861 437 R HN 0.398 nan 8.270 nan 0.000 0.440 438 K N 0.405 120.855 120.400 0.083 0.000 2.116 438 K HA -0.113 4.206 4.320 -0.001 0.000 0.203 438 K C 1.230 178.034 176.600 0.341 0.000 1.052 438 K CA 1.362 57.762 56.287 0.189 0.000 0.952 438 K CB 0.168 32.755 32.500 0.145 0.000 0.729 438 K HN -0.002 nan 8.250 nan 0.000 0.446 439 D N 1.026 121.619 120.400 0.322 0.000 2.092 439 D HA -0.179 4.460 4.640 -0.001 0.000 0.193 439 D C 1.853 178.317 176.300 0.274 0.000 0.994 439 D CA 1.219 55.418 54.000 0.331 0.000 0.828 439 D CB -0.099 40.890 40.800 0.315 0.000 0.963 439 D HN 0.194 nan 8.370 nan 0.000 0.450 440 L N 0.226 121.576 121.223 0.213 0.000 2.179 440 L HA 0.025 4.364 4.340 -0.001 0.000 0.208 440 L C 2.444 179.440 176.870 0.210 0.000 1.096 440 L CA 0.643 55.605 54.840 0.204 0.000 0.779 440 L CB -0.296 41.843 42.059 0.133 0.000 0.922 440 L HN -0.051 nan 8.230 nan 0.000 0.443 441 A N 0.406 123.344 122.820 0.197 0.000 1.865 441 A HA -0.290 4.029 4.320 -0.001 0.000 0.217 441 A C 2.191 179.906 177.584 0.218 0.000 1.191 441 A CA 1.768 53.906 52.037 0.167 0.000 0.623 441 A CB -0.923 18.164 19.000 0.145 0.000 0.826 441 A HN 0.388 nan 8.150 nan 0.000 0.444 442 F N 0.885 120.940 119.950 0.175 0.000 2.043 442 F HA -0.166 4.361 4.527 -0.001 0.000 0.297 442 F C 2.591 178.576 175.800 0.308 0.000 1.121 442 F CA 1.954 60.090 58.000 0.228 0.000 1.199 442 F CB -0.488 38.644 39.000 0.220 0.000 0.968 442 F HN 0.256 nan 8.300 nan 0.000 0.478 443 A N 0.389 123.563 122.820 0.590 0.000 1.902 443 A HA -0.097 4.223 4.320 -0.001 0.000 0.217 443 A C 2.340 180.116 177.584 0.319 0.000 1.181 443 A CA 1.828 54.184 52.037 0.531 0.000 0.623 443 A CB -1.649 17.603 19.000 0.420 0.000 0.818 443 A HN 0.583 nan 8.150 nan 0.000 0.443 444 A N -0.082 122.876 122.820 0.231 0.000 2.019 444 A HA -0.163 4.156 4.320 -0.001 0.000 0.219 444 A C 2.095 179.791 177.584 0.186 0.000 1.164 444 A CA 1.491 53.665 52.037 0.228 0.000 0.644 444 A CB -0.460 18.684 19.000 0.240 0.000 0.805 444 A HN 0.571 nan 8.150 nan 0.000 0.449 445 R N -1.664 118.812 120.500 -0.040 0.000 2.293 445 R HA -0.066 4.273 4.340 -0.001 0.000 0.219 445 R C 0.118 176.139 176.300 -0.465 0.000 1.091 445 R CA 1.141 57.052 56.100 -0.314 0.000 1.004 445 R CB -0.282 29.618 30.300 -0.667 0.000 0.865 445 R HN 0.612 nan 8.270 nan 0.000 0.469 446 F N -0.581 119.354 119.950 -0.024 0.000 2.698 446 F HA 0.394 4.920 4.527 -0.001 0.000 0.304 446 F C 0.455 176.256 175.800 0.002 0.000 1.108 446 F CA -0.738 57.194 58.000 -0.114 0.000 1.263 446 F CB 0.582 39.459 39.000 -0.205 0.000 1.013 446 F HN -0.144 nan 8.300 nan 0.000 0.532 447 A N 1.275 124.237 122.820 0.237 0.000 2.274 447 A HA 0.524 4.843 4.320 -0.001 0.000 0.309 447 A C -0.343 177.365 177.584 0.207 0.000 1.226 447 A CA -0.387 51.762 52.037 0.186 0.000 0.853 447 A CB 0.394 19.482 19.000 0.146 0.000 1.146 447 A HN 0.224 nan 8.150 nan 0.000 0.518 448 N N 2.286 121.067 118.700 0.135 0.000 2.504 448 N HA 0.237 4.976 4.740 -0.001 0.000 0.280 448 N C 0.923 176.459 175.510 0.043 0.000 1.052 448 N CA 0.310 53.439 53.050 0.132 0.000 0.887 448 N CB 1.852 40.442 38.487 0.172 0.000 1.323 448 N HN 0.613 nan 8.380 nan 0.000 0.509 449 G N 1.735 110.540 108.800 0.008 0.000 2.470 449 G HA2 -0.147 3.812 3.960 -0.001 0.000 0.220 449 G HA3 -0.147 3.812 3.960 -0.001 0.000 0.220 449 G C 1.066 175.960 174.900 -0.010 0.000 1.121 449 G CA 1.021 46.122 45.100 0.002 0.000 0.766 449 G HN 0.586 nan 8.290 nan 0.000 0.553 450 G N 0.126 108.920 108.800 -0.010 0.000 2.719 450 G HA2 0.106 4.065 3.960 -0.001 0.000 0.211 450 G HA3 0.106 4.065 3.960 -0.001 0.000 0.211 450 G C 1.664 176.539 174.900 -0.042 0.000 1.140 450 G CA 0.982 46.068 45.100 -0.023 0.000 0.790 450 G HN 0.552 nan 8.290 nan 0.000 0.529 451 V N -0.726 119.159 119.914 -0.050 0.000 3.041 451 V HA 0.020 4.139 4.120 -0.001 0.000 0.260 451 V C 2.231 178.272 176.094 -0.089 0.000 1.105 451 V CA 1.690 63.945 62.300 -0.075 0.000 1.125 451 V CB -0.164 31.605 31.823 -0.090 0.000 0.730 451 V HN 0.183 nan 8.190 nan 0.000 0.479 452 S N -0.521 115.123 115.700 -0.092 0.000 2.562 452 S HA 0.089 4.558 4.470 -0.001 0.000 0.221 452 S C 0.962 175.511 174.600 -0.085 0.000 0.975 452 S CA 0.034 58.171 58.200 -0.106 0.000 0.918 452 S CB -0.304 62.815 63.200 -0.135 0.000 0.772 452 S HN 0.694 nan 8.310 nan 0.000 0.531 453 K N 1.889 122.247 120.400 -0.069 0.000 2.447 453 K HA 0.016 4.335 4.320 -0.001 0.000 0.281 453 K C 0.515 177.079 176.600 -0.060 0.000 1.031 453 K CA 0.309 56.562 56.287 -0.058 0.000 1.019 453 K CB 0.172 32.644 32.500 -0.048 0.000 0.918 453 K HN -0.053 nan 8.250 nan 0.000 0.476 454 K N 2.040 122.406 120.400 -0.057 0.000 3.587 454 K HA -0.210 4.109 4.320 -0.001 0.000 0.294 454 K C 0.344 176.902 176.600 -0.069 0.000 1.279 454 K CA 1.590 57.843 56.287 -0.057 0.000 1.004 454 K CB -1.361 31.109 32.500 -0.050 0.000 1.276 454 K HN 0.707 nan 8.250 nan 0.000 0.459 455 I N -0.236 120.288 120.570 -0.078 0.000 2.962 455 I HA 0.079 4.249 4.170 -0.001 0.000 0.246 455 I C 1.105 177.162 176.117 -0.099 0.000 1.091 455 I CA -0.330 60.914 61.300 -0.093 0.000 1.469 455 I CB 0.025 37.971 38.000 -0.089 0.000 1.324 455 I HN -0.025 nan 8.210 nan 0.000 0.461 456 I N 2.099 122.610 120.570 -0.098 0.000 2.836 456 I HA -0.066 4.104 4.170 -0.001 0.000 0.285 456 I C 0.172 176.240 176.117 -0.083 0.000 1.174 456 I CA 0.243 61.481 61.300 -0.103 0.000 1.405 456 I CB -0.022 37.906 38.000 -0.120 0.000 1.385 456 I HN 0.216 nan 8.210 nan 0.000 0.594 457 D N 4.193 124.545 120.400 -0.079 0.000 2.531 457 D HA -0.129 4.510 4.640 -0.001 0.000 0.239 457 D C 1.019 177.291 176.300 -0.046 0.000 1.144 457 D CA 0.350 54.315 54.000 -0.058 0.000 0.869 457 D CB 0.784 41.552 40.800 -0.053 0.000 1.160 457 D HN 0.477 nan 8.370 nan 0.000 0.484 458 E N 3.319 123.497 120.200 -0.037 0.000 2.049 458 E HA -0.240 4.110 4.350 -0.001 0.000 0.198 458 E C 1.437 178.028 176.600 -0.015 0.000 1.007 458 E CA 1.771 58.155 56.400 -0.027 0.000 0.809 458 E CB -0.036 29.650 29.700 -0.023 0.000 0.749 458 E HN 0.682 nan 8.360 nan 0.000 0.450 459 E N -0.459 119.735 120.200 -0.010 0.000 2.114 459 E HA -0.281 4.068 4.350 -0.001 0.000 0.199 459 E C 1.952 178.558 176.600 0.009 0.000 1.008 459 E CA 1.299 57.700 56.400 0.003 0.000 0.810 459 E CB -0.278 29.426 29.700 0.006 0.000 0.739 459 E HN 0.401 nan 8.360 nan 0.000 0.456 460 A N 0.937 123.756 122.820 -0.003 0.000 1.968 460 A HA -0.123 4.196 4.320 -0.001 0.000 0.217 460 A C 2.043 179.637 177.584 0.018 0.000 1.169 460 A CA 1.061 53.099 52.037 0.002 0.000 0.638 460 A CB -0.276 18.703 19.000 -0.034 0.000 0.812 460 A HN 0.060 nan 8.150 nan 0.000 0.446 461 R N -0.779 119.718 120.500 -0.004 0.000 2.075 461 R HA -0.115 4.225 4.340 -0.001 0.000 0.232 461 R C 2.080 178.403 176.300 0.039 0.000 1.126 461 R CA 1.321 57.424 56.100 0.005 0.000 0.963 461 R CB -0.163 30.121 30.300 -0.028 0.000 0.858 461 R HN 0.426 nan 8.270 nan 0.000 0.435 462 Q N 0.514 120.326 119.800 0.020 0.000 2.170 462 Q HA -0.167 4.172 4.340 -0.001 0.000 0.203 462 Q C 1.708 177.724 176.000 0.026 0.000 0.976 462 Q CA 1.493 57.305 55.803 0.015 0.000 0.858 462 Q CB 0.044 28.785 28.738 0.006 0.000 0.907 462 Q HN 0.553 nan 8.270 nan 0.000 0.433 463 E N -0.540 119.692 120.200 0.053 0.000 2.046 463 E HA -0.167 4.182 4.350 -0.001 0.000 0.190 463 E C 1.799 178.444 176.600 0.074 0.000 0.982 463 E CA 0.687 57.129 56.400 0.069 0.000 0.800 463 E CB -0.217 29.535 29.700 0.087 0.000 0.756 463 E HN 0.294 nan 8.360 nan 0.000 0.449 464 Y N 2.159 122.444 120.300 -0.025 0.000 2.181 464 Y HA -0.220 4.329 4.550 -0.001 0.000 0.288 464 Y C 2.073 177.933 175.900 -0.066 0.000 1.146 464 Y CA 1.628 59.704 58.100 -0.041 0.000 1.164 464 Y CB 0.074 38.492 38.460 -0.070 0.000 0.982 464 Y HN -0.168 nan 8.280 nan 0.000 0.515 465 K N 0.033 120.437 120.400 0.007 0.000 2.113 465 K HA -0.237 4.082 4.320 -0.001 0.000 0.208 465 K C 2.041 178.535 176.600 -0.177 0.000 1.047 465 K CA 1.905 58.131 56.287 -0.102 0.000 0.928 465 K CB -0.151 32.319 32.500 -0.050 0.000 0.716 465 K HN 0.496 nan 8.250 nan 0.000 0.446 466 E N 0.470 120.592 120.200 -0.131 0.000 2.072 466 E HA -0.171 4.179 4.350 -0.001 0.000 0.191 466 E C 1.623 178.157 176.600 -0.111 0.000 0.985 466 E CA 0.955 57.256 56.400 -0.164 0.000 0.801 466 E CB 0.017 29.689 29.700 -0.047 0.000 0.750 466 E HN 0.302 nan 8.360 nan 0.000 0.452 467 D N 0.713 121.052 120.400 -0.102 0.000 2.116 467 D HA -0.192 4.447 4.640 -0.001 0.000 0.193 467 D C 2.057 178.254 176.300 -0.171 0.000 0.998 467 D CA 1.185 55.118 54.000 -0.111 0.000 0.836 467 D CB -0.201 40.433 40.800 -0.277 0.000 0.951 467 D HN 0.210 nan 8.370 nan 0.000 0.449 468 M N 0.622 120.002 119.600 -0.367 0.000 2.106 468 M HA -0.214 4.265 4.480 -0.001 0.000 0.259 468 M C 2.281 178.566 176.300 -0.024 0.000 1.068 468 M CA 1.451 56.554 55.300 -0.329 0.000 1.100 468 M CB -0.613 31.582 32.600 -0.676 0.000 1.351 468 M HN 0.033 nan 8.290 nan 0.000 0.404 469 K N 0.205 120.555 120.400 -0.083 0.000 1.991 469 K HA -0.157 4.162 4.320 -0.001 0.000 0.207 469 K C 1.880 178.478 176.600 -0.003 0.000 1.045 469 K CA 1.413 57.684 56.287 -0.028 0.000 0.937 469 K CB -0.571 31.820 32.500 -0.182 0.000 0.720 469 K HN 0.075 nan 8.250 nan 0.000 0.438 470 Y N 1.574 121.865 120.300 -0.014 0.000 2.193 470 Y HA -0.221 4.329 4.550 -0.001 0.000 0.285 470 Y C 2.438 178.333 175.900 -0.009 0.000 1.166 470 Y CA 1.083 59.170 58.100 -0.022 0.000 1.181 470 Y CB -0.656 37.773 38.460 -0.053 0.000 0.976 470 Y HN -0.090 nan 8.280 nan 0.000 0.520 471 V N 0.237 120.250 119.914 0.165 0.000 2.295 471 V HA -0.297 3.822 4.120 -0.001 0.000 0.246 471 V C 2.245 178.394 176.094 0.092 0.000 1.049 471 V CA 2.170 64.534 62.300 0.107 0.000 1.024 471 V CB -0.636 31.240 31.823 0.088 0.000 0.648 471 V HN 0.405 nan 8.190 nan 0.000 0.447 472 N N -0.165 118.600 118.700 0.108 0.000 2.244 472 N HA -0.139 4.600 4.740 -0.001 0.000 0.183 472 N C 1.814 177.336 175.510 0.020 0.000 1.016 472 N CA 1.466 54.542 53.050 0.045 0.000 0.866 472 N CB 0.004 38.508 38.487 0.028 0.000 0.980 472 N HN 0.581 nan 8.380 nan 0.000 0.430 473 E N -0.275 119.955 120.200 0.049 0.000 2.033 473 E HA -0.001 4.348 4.350 -0.001 0.000 0.189 473 E C 1.939 178.566 176.600 0.044 0.000 0.979 473 E CA 0.729 57.154 56.400 0.042 0.000 0.802 473 E CB 0.015 29.754 29.700 0.066 0.000 0.763 473 E HN 0.397 nan 8.360 nan 0.000 0.449 474 I N 0.971 121.580 120.570 0.065 0.000 2.439 474 I HA -0.185 3.985 4.170 -0.001 0.000 0.251 474 I C 1.815 177.942 176.117 0.017 0.000 1.139 474 I CA 0.965 62.291 61.300 0.043 0.000 1.438 474 I CB 0.063 38.086 38.000 0.039 0.000 1.085 474 I HN 0.054 nan 8.210 nan 0.000 0.427 475 L N 0.173 121.406 121.223 0.016 0.000 2.769 475 L HA 0.216 4.556 4.340 -0.001 0.000 0.240 475 L C 0.066 176.936 176.870 -0.001 0.000 1.163 475 L CA -0.156 54.685 54.840 0.002 0.000 0.962 475 L CB -0.360 41.699 42.059 -0.000 0.000 1.258 475 L HN 0.224 nan 8.230 nan 0.000 0.513 476 N N 1.778 120.477 118.700 -0.002 0.000 2.700 476 N HA -0.206 4.534 4.740 -0.001 0.000 0.265 476 N C 0.845 176.341 175.510 -0.023 0.000 0.975 476 N CA 0.575 53.617 53.050 -0.015 0.000 0.800 476 N CB -0.625 37.853 38.487 -0.014 0.000 0.908 476 N HN 0.457 nan 8.380 nan 0.000 0.551 477 L N -0.754 120.454 121.223 -0.025 0.000 2.552 477 L HA 0.048 4.387 4.340 -0.001 0.000 0.227 477 L C 1.627 178.455 176.870 -0.070 0.000 1.146 477 L CA 0.557 55.378 54.840 -0.031 0.000 0.858 477 L CB -0.278 41.773 42.059 -0.014 0.000 0.969 477 L HN 0.438 nan 8.230 nan 0.000 0.451 478 G N 1.971 110.717 108.800 -0.090 0.000 2.369 478 G HA2 -0.268 3.691 3.960 -0.001 0.000 0.286 478 G HA3 -0.268 3.691 3.960 -0.001 0.000 0.286 478 G C -0.175 174.620 174.900 -0.175 0.000 0.938 478 G CA 0.154 45.180 45.100 -0.122 0.000 1.271 478 G HN 0.251 nan 8.290 nan 0.000 0.488 479 L N 0.158 121.219 121.223 -0.270 0.000 2.344 479 L HA 0.550 4.889 4.340 -0.001 0.000 0.272 479 L C 0.113 176.731 176.870 -0.420 0.000 1.035 479 L CA -1.028 53.593 54.840 -0.365 0.000 0.807 479 L CB 1.627 43.373 42.059 -0.523 0.000 1.237 479 L HN 0.145 nan 8.230 nan 0.000 0.442 480 D N 0.397 120.618 120.400 -0.299 0.000 2.479 480 D HA 0.150 4.789 4.640 -0.001 0.000 0.247 480 D C 0.569 176.814 176.300 -0.091 0.000 1.119 480 D CA -0.337 53.553 54.000 -0.183 0.000 0.922 480 D CB 0.509 41.250 40.800 -0.097 0.000 1.014 480 D HN 0.295 nan 8.370 nan 0.000 0.510 481 Y N 1.209 121.509 120.300 -0.001 0.000 2.102 481 Y HA -0.219 4.330 4.550 -0.001 0.000 0.280 481 Y C 2.001 177.881 175.900 -0.033 0.000 1.178 481 Y CA 1.199 59.290 58.100 -0.016 0.000 1.146 481 Y CB -0.201 38.257 38.460 -0.002 0.000 0.968 481 Y HN 0.376 nan 8.280 nan 0.000 0.504 482 D N -1.008 119.483 120.400 0.152 0.000 2.144 482 D HA -0.182 4.457 4.640 -0.001 0.000 0.199 482 D C 2.089 178.414 176.300 0.042 0.000 0.984 482 D CA 1.079 55.126 54.000 0.078 0.000 0.834 482 D CB -0.654 40.191 40.800 0.074 0.000 0.955 482 D HN 0.345 nan 8.370 nan 0.000 0.465 483 F N 1.240 121.150 119.950 -0.066 0.000 2.186 483 F HA -0.065 4.461 4.527 -0.001 0.000 0.299 483 F C 2.137 177.862 175.800 -0.125 0.000 1.090 483 F CA 0.838 58.789 58.000 -0.082 0.000 1.307 483 F CB -0.126 38.825 39.000 -0.082 0.000 1.019 483 F HN -0.146 nan 8.300 nan 0.000 0.489 484 L N 0.256 121.456 121.223 -0.038 0.000 2.017 484 L HA -0.267 4.072 4.340 -0.001 0.000 0.208 484 L C 2.273 178.814 176.870 -0.548 0.000 1.073 484 L CA 1.907 56.560 54.840 -0.311 0.000 0.745 484 L CB -1.049 40.769 42.059 -0.403 0.000 0.894 484 L HN 0.245 nan 8.230 nan 0.000 0.432 485 N N 0.263 118.707 118.700 -0.427 0.000 2.091 485 N HA -0.269 4.471 4.740 -0.001 0.000 0.193 485 N C 1.736 177.150 175.510 -0.160 0.000 1.021 485 N CA 1.785 54.706 53.050 -0.215 0.000 0.862 485 N CB 0.034 38.488 38.487 -0.055 0.000 1.018 485 N HN 0.274 nan 8.380 nan 0.000 0.429 486 E N -1.551 118.518 120.200 -0.218 0.000 2.216 486 E HA 0.016 4.366 4.350 -0.001 0.000 0.192 486 E C 0.858 177.291 176.600 -0.280 0.000 0.988 486 E CA 0.838 57.103 56.400 -0.224 0.000 0.834 486 E CB 0.182 29.742 29.700 -0.233 0.000 0.772 486 E HN 0.516 nan 8.360 nan 0.000 0.479 487 N N -0.763 117.696 118.700 -0.403 0.000 2.419 487 N HA 0.011 4.751 4.740 -0.001 0.000 0.216 487 N C -0.304 175.123 175.510 -0.138 0.000 1.118 487 N CA -0.111 52.721 53.050 -0.363 0.000 0.850 487 N CB 0.676 38.713 38.487 -0.751 0.000 1.292 487 N HN -0.125 nan 8.380 nan 0.000 0.467 488 E N 0.368 120.505 120.200 -0.105 0.000 2.344 488 E HA 0.064 4.413 4.350 -0.001 0.000 0.270 488 E C 0.321 177.052 176.600 0.219 0.000 1.021 488 E CA -0.229 56.223 56.400 0.087 0.000 0.887 488 E CB 0.282 30.054 29.700 0.120 0.000 0.997 488 E HN 0.064 nan 8.360 nan 0.000 0.429 489 F N 5.270 125.288 119.950 0.114 0.000 2.069 489 F HA -0.242 4.284 4.527 -0.001 0.000 0.298 489 F C 1.635 177.538 175.800 0.173 0.000 1.113 489 F CA 1.929 59.999 58.000 0.117 0.000 1.214 489 F CB -0.820 38.246 39.000 0.110 0.000 0.978 489 F HN 0.819 nan 8.300 nan 0.000 0.474 490 Y N 0.435 120.745 120.300 0.017 0.000 2.219 490 Y HA -0.365 4.184 4.550 -0.001 0.000 0.283 490 Y C 2.686 178.492 175.900 -0.156 0.000 1.191 490 Y CA 2.507 60.561 58.100 -0.077 0.000 1.199 490 Y CB -0.713 37.826 38.460 0.131 0.000 0.972 490 Y HN 0.282 nan 8.280 nan 0.000 0.527 491 H N -1.776 117.300 119.070 0.010 0.000 2.448 491 H HA -0.058 4.498 4.556 -0.001 0.000 0.292 491 H C 1.987 177.192 175.328 -0.204 0.000 1.035 491 H CA 1.439 57.457 56.048 -0.049 0.000 1.349 491 H CB -0.048 29.732 29.762 0.030 0.000 1.425 491 H HN 0.396 nan 8.280 nan 0.000 0.539 492 T N 1.454 115.924 114.554 -0.141 0.000 2.788 492 T HA -0.115 4.235 4.350 -0.001 0.000 0.268 492 T C 2.329 176.773 174.700 -0.427 0.000 1.044 492 T CA 0.654 62.615 62.100 -0.232 0.000 1.139 492 T CB -0.358 68.423 68.868 -0.144 0.000 0.867 492 T HN 0.191 nan 8.240 nan 0.000 0.454 493 L N 0.268 121.125 121.223 -0.610 0.000 2.017 493 L HA -0.060 4.279 4.340 -0.001 0.000 0.208 493 L C 2.619 179.138 176.870 -0.585 0.000 1.073 493 L CA 1.238 55.686 54.840 -0.654 0.000 0.745 493 L CB -0.711 40.952 42.059 -0.660 0.000 0.894 493 L HN 0.232 nan 8.230 nan 0.000 0.432 494 L N -0.314 120.599 121.223 -0.516 0.000 2.042 494 L HA -0.259 4.080 4.340 -0.001 0.000 0.210 494 L C 2.614 179.297 176.870 -0.313 0.000 1.076 494 L CA 1.522 56.137 54.840 -0.375 0.000 0.749 494 L CB -0.397 41.485 42.059 -0.294 0.000 0.893 494 L HN 0.202 nan 8.230 nan 0.000 0.432 495 K N -0.676 119.552 120.400 -0.287 0.000 2.148 495 K HA -0.120 4.199 4.320 -0.001 0.000 0.204 495 K C 2.042 178.457 176.600 -0.309 0.000 1.050 495 K CA 1.758 57.904 56.287 -0.235 0.000 0.942 495 K CB -0.158 32.239 32.500 -0.171 0.000 0.724 495 K HN 0.462 nan 8.250 nan 0.000 0.446 496 T N -2.512 111.757 114.554 -0.476 0.000 3.043 496 T HA -0.013 4.336 4.350 -0.001 0.000 0.263 496 T C 1.853 176.135 174.700 -0.696 0.000 1.094 496 T CA 1.098 62.830 62.100 -0.613 0.000 1.127 496 T CB -0.188 68.113 68.868 -0.944 0.000 0.905 496 T HN -0.026 nan 8.240 nan 0.000 0.490 497 T N 1.894 116.055 114.554 -0.654 0.000 2.770 497 T HA 0.009 4.358 4.350 -0.001 0.000 0.263 497 T C 1.790 176.343 174.700 -0.245 0.000 1.039 497 T CA 1.280 63.111 62.100 -0.448 0.000 1.142 497 T CB -0.280 68.403 68.868 -0.309 0.000 0.868 497 T HN 0.489 nan 8.240 nan 0.000 0.435 498 K N 1.306 121.577 120.400 -0.215 0.000 2.030 498 K HA -0.213 4.106 4.320 -0.001 0.000 0.222 498 K C -0.965 175.570 176.600 -0.107 0.000 1.056 498 K CA 2.141 58.343 56.287 -0.140 0.000 0.957 498 K CB -1.053 31.368 32.500 -0.132 0.000 0.727 498 K HN 0.243 nan 8.250 nan 0.000 0.452 499 P HA -0.119 nan 4.420 nan 0.000 0.221 499 P C 0.937 178.221 177.300 -0.027 0.000 1.145 499 P CA 1.273 64.329 63.100 -0.073 0.000 0.795 499 P CB 0.026 31.669 31.700 -0.094 0.000 0.775 500 I N -1.781 118.769 120.570 -0.034 0.000 2.339 500 I HA -0.105 4.064 4.170 -0.001 0.000 0.245 500 I C 2.241 178.381 176.117 0.038 0.000 1.096 500 I CA 0.892 62.207 61.300 0.025 0.000 1.408 500 I CB -0.525 37.491 38.000 0.027 0.000 1.092 500 I HN -0.189 nan 8.210 nan 0.000 0.423 501 I N 0.112 120.678 120.570 -0.006 0.000 2.264 501 I HA -0.337 3.832 4.170 -0.001 0.000 0.248 501 I C 2.594 178.725 176.117 0.023 0.000 1.111 501 I CA 1.706 63.016 61.300 0.018 0.000 1.382 501 I CB -0.253 37.755 38.000 0.014 0.000 1.060 501 I HN 0.277 nan 8.210 nan 0.000 0.418 502 M N -0.345 119.257 119.600 0.004 0.000 2.175 502 M HA -0.249 4.231 4.480 -0.001 0.000 0.264 502 M C 2.371 178.686 176.300 0.024 0.000 1.063 502 M CA 1.709 57.002 55.300 -0.011 0.000 1.119 502 M CB -0.270 32.320 32.600 -0.016 0.000 1.377 502 M HN 0.263 nan 8.290 nan 0.000 0.415 503 H N 0.160 119.209 119.070 -0.035 0.000 2.299 503 H HA -0.085 4.470 4.556 -0.001 0.000 0.302 503 H C 1.665 176.994 175.328 0.001 0.000 1.078 503 H CA 2.067 58.102 56.048 -0.021 0.000 1.323 503 H CB -0.267 29.483 29.762 -0.020 0.000 1.381 503 H HN 0.322 nan 8.280 nan 0.000 0.498 504 L N -0.490 120.695 121.223 -0.065 0.000 2.046 504 L HA -0.189 4.151 4.340 -0.001 0.000 0.208 504 L C 2.695 179.595 176.870 0.051 0.000 1.077 504 L CA 1.488 56.308 54.840 -0.035 0.000 0.747 504 L CB -0.398 41.695 42.059 0.057 0.000 0.896 504 L HN 0.373 nan 8.230 nan 0.000 0.432 505 M N -0.615 118.978 119.600 -0.011 0.000 2.202 505 M HA -0.152 4.328 4.480 -0.001 0.000 0.262 505 M C 2.070 178.263 176.300 -0.178 0.000 1.063 505 M CA 1.789 56.936 55.300 -0.255 0.000 1.097 505 M CB -0.658 31.698 32.600 -0.406 0.000 1.382 505 M HN 0.378 nan 8.290 nan 0.000 0.413 506 G N -0.153 108.566 108.800 -0.136 0.000 2.712 506 G HA2 0.135 4.094 3.960 -0.001 0.000 0.212 506 G HA3 0.135 4.094 3.960 -0.001 0.000 0.212 506 G C 0.662 175.502 174.900 -0.101 0.000 1.142 506 G CA -0.155 44.877 45.100 -0.113 0.000 0.789 506 G HN 0.227 nan 8.290 nan 0.000 0.535 507 L N 0.962 122.116 121.223 -0.115 0.000 2.418 507 L HA 0.258 4.597 4.340 -0.001 0.000 0.265 507 L C 0.363 177.222 176.870 -0.018 0.000 1.143 507 L CA -0.682 54.107 54.840 -0.085 0.000 0.809 507 L CB 0.957 42.950 42.059 -0.110 0.000 1.124 507 L HN 0.201 nan 8.230 nan 0.000 0.456 508 E N 0.962 121.157 120.200 -0.009 0.000 2.436 508 E HA -0.136 4.214 4.350 -0.001 0.000 0.262 508 E C 0.594 177.218 176.600 0.039 0.000 1.063 508 E CA -0.021 56.387 56.400 0.013 0.000 0.944 508 E CB 0.716 30.422 29.700 0.009 0.000 0.950 508 E HN 0.526 nan 8.360 nan 0.000 0.444 509 E N 3.010 123.239 120.200 0.049 0.000 2.065 509 E HA -0.317 4.033 4.350 -0.001 0.000 0.201 509 E C 1.320 177.957 176.600 0.061 0.000 1.016 509 E CA 2.587 59.030 56.400 0.071 0.000 0.818 509 E CB -0.127 29.606 29.700 0.056 0.000 0.749 509 E HN 0.665 nan 8.360 nan 0.000 0.453 510 N N -1.490 117.234 118.700 0.040 0.000 2.220 510 N HA 0.013 4.752 4.740 -0.001 0.000 0.195 510 N C 1.226 176.754 175.510 0.029 0.000 1.123 510 N CA 0.469 53.538 53.050 0.032 0.000 0.874 510 N CB 0.432 38.932 38.487 0.021 0.000 0.995 510 N HN 0.039 nan 8.380 nan 0.000 0.498 511 V N 0.903 120.834 119.914 0.027 0.000 2.343 511 V HA -0.216 3.904 4.120 -0.001 0.000 0.247 511 V C 2.553 178.665 176.094 0.030 0.000 1.051 511 V CA 1.739 64.053 62.300 0.023 0.000 1.036 511 V CB -0.573 31.258 31.823 0.012 0.000 0.654 511 V HN 0.529 nan 8.190 nan 0.000 0.451 512 M N -0.246 119.381 119.600 0.045 0.000 2.086 512 M HA -0.203 4.277 4.480 -0.001 0.000 0.261 512 M C 2.522 178.871 176.300 0.081 0.000 1.067 512 M CA 1.893 57.235 55.300 0.070 0.000 1.116 512 M CB -0.350 32.327 32.600 0.129 0.000 1.348 512 M HN 0.256 nan 8.290 nan 0.000 0.407 513 R N 0.128 120.669 120.500 0.069 0.000 2.091 513 R HA -0.163 4.176 4.340 -0.001 0.000 0.238 513 R C 1.405 177.731 176.300 0.043 0.000 1.136 513 R CA 1.869 58.002 56.100 0.055 0.000 0.959 513 R CB -0.803 29.515 30.300 0.030 0.000 0.856 513 R HN 0.482 nan 8.270 nan 0.000 0.437 514 N N 0.128 118.849 118.700 0.034 0.000 2.461 514 N HA -0.012 4.727 4.740 -0.001 0.000 0.188 514 N C -0.140 175.387 175.510 0.029 0.000 1.134 514 N CA 0.403 53.469 53.050 0.026 0.000 0.878 514 N CB 0.427 38.926 38.487 0.020 0.000 0.972 514 N HN -0.064 nan 8.380 nan 0.000 0.456 515 S N 0.332 116.054 115.700 0.037 0.000 4.183 515 S HA 0.044 4.513 4.470 -0.001 0.000 0.195 515 S C 1.025 175.646 174.600 0.035 0.000 1.421 515 S CA -0.147 58.076 58.200 0.039 0.000 0.920 515 S CB -0.299 62.929 63.200 0.047 0.000 1.525 515 S HN 0.325 nan 8.310 nan 0.000 0.447 516 T N 1.014 115.583 114.554 0.025 0.000 2.788 516 T HA -0.087 4.262 4.350 -0.001 0.000 0.268 516 T C 1.791 176.497 174.700 0.009 0.000 1.044 516 T CA 0.779 62.890 62.100 0.018 0.000 1.139 516 T CB 0.004 68.877 68.868 0.009 0.000 0.867 516 T HN 0.376 nan 8.240 nan 0.000 0.454 517 E N 1.207 121.412 120.200 0.010 0.000 2.028 517 E HA -0.097 4.253 4.350 -0.001 0.000 0.191 517 E C 2.374 178.975 176.600 0.002 0.000 0.988 517 E CA 1.076 57.476 56.400 0.001 0.000 0.799 517 E CB -0.190 29.512 29.700 0.004 0.000 0.755 517 E HN 0.481 nan 8.360 nan 0.000 0.447 518 E N 0.900 121.113 120.200 0.022 0.000 2.085 518 E HA -0.152 4.198 4.350 -0.001 0.000 0.194 518 E C 2.268 178.862 176.600 -0.010 0.000 0.994 518 E CA 0.738 57.158 56.400 0.033 0.000 0.801 518 E CB -0.410 29.344 29.700 0.090 0.000 0.743 518 E HN 0.219 nan 8.360 nan 0.000 0.453 519 L N 0.581 121.792 121.223 -0.020 0.000 2.056 519 L HA -0.141 4.199 4.340 -0.001 0.000 0.207 519 L C 2.511 179.355 176.870 -0.044 0.000 1.078 519 L CA 1.191 55.998 54.840 -0.055 0.000 0.749 519 L CB -0.450 41.623 42.059 0.022 0.000 0.901 519 L HN 0.085 nan 8.230 nan 0.000 0.433 520 K N 0.982 121.366 120.400 -0.028 0.000 2.063 520 K HA -0.208 4.111 4.320 -0.001 0.000 0.208 520 K C 2.076 178.630 176.600 -0.076 0.000 1.048 520 K CA 1.542 57.803 56.287 -0.044 0.000 0.928 520 K CB -0.140 32.334 32.500 -0.043 0.000 0.713 520 K HN 0.251 nan 8.250 nan 0.000 0.442 521 I N 1.076 121.605 120.570 -0.067 0.000 2.099 521 I HA -0.327 3.843 4.170 -0.001 0.000 0.239 521 I C 2.434 178.526 176.117 -0.042 0.000 1.066 521 I CA 0.804 62.055 61.300 -0.082 0.000 1.324 521 I CB -0.395 37.615 38.000 0.018 0.000 1.037 521 I HN 0.201 nan 8.210 nan 0.000 0.401 522 L N 1.250 122.476 121.223 0.004 0.000 2.089 522 L HA -0.300 4.039 4.340 -0.001 0.000 0.213 522 L C 2.177 179.055 176.870 0.014 0.000 1.079 522 L CA 1.954 56.803 54.840 0.016 0.000 0.758 522 L CB -1.185 40.749 42.059 -0.208 0.000 0.891 522 L HN 0.325 nan 8.230 nan 0.000 0.433 523 N N -0.530 118.150 118.700 -0.033 0.000 2.120 523 N HA -0.215 4.524 4.740 -0.001 0.000 0.188 523 N C 1.688 177.171 175.510 -0.043 0.000 1.024 523 N CA 1.624 54.668 53.050 -0.010 0.000 0.852 523 N CB 0.028 38.509 38.487 -0.010 0.000 1.003 523 N HN 0.600 nan 8.380 nan 0.000 0.424 524 E N -0.566 119.544 120.200 -0.150 0.000 2.072 524 E HA -0.175 4.174 4.350 -0.001 0.000 0.191 524 E C 1.783 178.238 176.600 -0.242 0.000 0.985 524 E CA 0.971 57.211 56.400 -0.265 0.000 0.801 524 E CB -0.194 29.221 29.700 -0.475 0.000 0.750 524 E HN 0.530 nan 8.360 nan 0.000 0.452 525 W N 1.050 122.322 121.300 -0.047 0.000 2.381 525 W HA -0.054 4.606 4.660 -0.001 0.000 0.301 525 W C 2.192 178.667 176.519 -0.074 0.000 1.205 525 W CA 0.028 57.330 57.345 -0.072 0.000 1.285 525 W CB -0.196 29.208 29.460 -0.093 0.000 1.133 525 W HN -0.006 nan 8.180 nan 0.000 0.521 526 I N -0.128 120.557 120.570 0.191 0.000 2.118 526 I HA -0.372 3.797 4.170 -0.001 0.000 0.241 526 I C 2.125 178.289 176.117 0.078 0.000 1.070 526 I CA 1.416 62.778 61.300 0.104 0.000 1.327 526 I CB -0.989 37.065 38.000 0.089 0.000 1.034 526 I HN -0.165 nan 8.210 nan 0.000 0.405 527 V N 0.624 120.571 119.914 0.055 0.000 2.343 527 V HA -0.269 3.851 4.120 -0.001 0.000 0.247 527 V C 2.558 178.691 176.094 0.064 0.000 1.051 527 V CA 1.740 64.066 62.300 0.044 0.000 1.036 527 V CB -0.779 31.052 31.823 0.012 0.000 0.654 527 V HN 0.366 nan 8.190 nan 0.000 0.451 528 R N -0.568 119.976 120.500 0.075 0.000 2.080 528 R HA -0.176 4.163 4.340 -0.001 0.000 0.236 528 R C 2.327 178.702 176.300 0.125 0.000 1.137 528 R CA 1.944 58.113 56.100 0.114 0.000 0.943 528 R CB -0.433 29.979 30.300 0.186 0.000 0.846 528 R HN 0.449 nan 8.270 nan 0.000 0.431 529 M N -0.521 119.125 119.600 0.078 0.000 2.132 529 M HA -0.062 4.418 4.480 -0.001 0.000 0.263 529 M C 2.425 178.830 176.300 0.175 0.000 1.065 529 M CA 1.658 57.006 55.300 0.080 0.000 1.122 529 M CB -0.577 31.968 32.600 -0.091 0.000 1.365 529 M HN 0.330 nan 8.290 nan 0.000 0.411 530 G N 0.733 109.590 108.800 0.095 0.000 2.553 530 G HA2 -0.301 3.658 3.960 -0.001 0.000 0.218 530 G HA3 -0.301 3.658 3.960 -0.001 0.000 0.218 530 G C 1.557 176.510 174.900 0.088 0.000 1.195 530 G CA 1.380 46.517 45.100 0.061 0.000 0.779 530 G HN 0.390 nan 8.290 nan 0.000 0.577 531 K N -0.291 120.175 120.400 0.111 0.000 2.103 531 K HA -0.075 4.244 4.320 -0.001 0.000 0.207 531 K C 2.684 179.372 176.600 0.146 0.000 1.048 531 K CA 1.312 57.672 56.287 0.122 0.000 0.930 531 K CB -0.233 32.338 32.500 0.118 0.000 0.716 531 K HN 0.252 nan 8.250 nan 0.000 0.444 532 V N 1.829 121.864 119.914 0.202 0.000 2.261 532 V HA -0.266 3.854 4.120 -0.001 0.000 0.246 532 V C 2.239 178.443 176.094 0.184 0.000 1.047 532 V CA 2.269 64.725 62.300 0.260 0.000 1.015 532 V CB -0.595 31.506 31.823 0.462 0.000 0.642 532 V HN 0.459 nan 8.190 nan 0.000 0.446 533 R N 0.837 121.375 120.500 0.063 0.000 2.275 533 R HA 0.235 4.575 4.340 -0.001 0.000 0.199 533 R C 1.598 177.946 176.300 0.080 0.000 0.989 533 R CA 0.958 56.990 56.100 -0.114 0.000 1.016 533 R CB -0.248 29.676 30.300 -0.627 0.000 0.918 533 R HN 0.500 nan 8.270 nan 0.000 0.473 534 G N -0.129 108.728 108.800 0.096 0.000 2.157 534 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.248 534 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.248 534 G C -0.130 174.918 174.900 0.246 0.000 0.979 534 G CA 0.208 45.412 45.100 0.174 0.000 0.650 534 G HN 0.428 nan 8.290 nan 0.000 0.529 535 S N -1.546 114.216 115.700 0.103 0.000 2.550 535 S HA 0.581 5.051 4.470 -0.001 0.000 0.270 535 S C 0.608 175.205 174.600 -0.006 0.000 1.145 535 S CA -0.186 58.048 58.200 0.057 0.000 0.852 535 S CB 1.814 65.025 63.200 0.018 0.000 1.119 535 S HN 0.380 nan 8.310 nan 0.000 0.465 536 I N 1.883 122.466 120.570 0.022 0.000 2.500 536 I HA 0.276 4.445 4.170 -0.001 0.000 0.252 536 I C 1.010 177.118 176.117 -0.015 0.000 1.142 536 I CA 1.423 62.730 61.300 0.012 0.000 1.451 536 I CB -0.138 37.891 38.000 0.048 0.000 1.093 536 I HN 0.790 nan 8.210 nan 0.000 0.430 537 G N 0.000 108.804 108.800 0.007 0.000 5.446 537 G HA2 0.000 3.959 3.960 -0.001 0.000 0.244 537 G HA3 0.000 3.959 3.960 -0.001 0.000 0.244 537 G CA 0.000 45.127 45.100 0.045 0.000 0.502 537 G HN 0.000 nan 8.290 nan 0.000 0.925