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_F 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 XXXXNREVAN 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 0.000 176.308 176.300 0.013 0.000 1.140 1 M CA 0.000 55.306 55.300 0.010 0.000 0.988 1 M CB 0.000 32.603 32.600 0.006 0.000 1.302 2 K N 4.060 124.468 120.400 0.014 0.000 2.586 2 K HA 0.048 4.368 4.320 -0.000 0.000 0.280 2 K C -0.817 175.794 176.600 0.018 0.000 0.972 2 K CA 0.307 56.605 56.287 0.018 0.000 1.040 2 K CB 0.383 32.893 32.500 0.017 0.000 0.870 2 K HN 0.606 nan 8.250 nan 0.000 0.497 3 I N 6.988 127.572 120.570 0.024 0.000 2.352 3 I HA 0.165 4.335 4.170 -0.000 0.000 0.290 3 I C -1.755 174.379 176.117 0.028 0.000 1.036 3 I CA -2.086 59.227 61.300 0.022 0.000 1.336 3 I CB 0.676 38.691 38.000 0.025 0.000 1.407 3 I HN 0.623 nan 8.210 nan 0.000 0.497 4 P HA 0.151 nan 4.420 nan 0.000 0.278 4 P C 0.874 178.210 177.300 0.059 0.000 1.238 4 P CA -0.522 62.595 63.100 0.029 0.000 0.794 4 P CB 1.176 32.880 31.700 0.007 0.000 0.955 5 C N 0.245 119.599 119.300 0.091 0.000 2.435 5 C HA 0.046 4.506 4.460 -0.000 0.000 0.279 5 C C 1.154 176.287 174.990 0.238 0.000 1.321 5 C CA 0.657 59.782 59.018 0.178 0.000 1.752 5 C CB -1.664 26.193 27.740 0.195 0.000 1.959 5 C HN 0.665 nan 8.230 nan 0.000 0.500 6 S N 0.551 116.323 115.700 0.120 0.000 2.482 6 S HA 0.703 5.173 4.470 -0.000 0.000 0.303 6 S C -0.948 173.637 174.600 -0.025 0.000 1.091 6 S CA -0.440 57.792 58.200 0.052 0.000 1.057 6 S CB 1.335 64.321 63.200 -0.357 0.000 1.031 6 S HN 0.605 nan 8.310 nan 0.000 0.485 7 M N 5.181 124.832 119.600 0.085 0.000 2.165 7 M HA 0.418 4.898 4.480 -0.000 0.000 0.283 7 M C -1.192 175.172 176.300 0.107 0.000 0.978 7 M CA -0.860 54.471 55.300 0.051 0.000 0.948 7 M CB 1.888 34.521 32.600 0.054 0.000 1.599 7 M HN 1.002 nan 8.290 nan 0.000 0.450 8 M N 3.367 122.985 119.600 0.030 0.000 2.274 8 M HA 0.694 5.174 4.480 -0.000 0.000 0.344 8 M C -0.335 176.012 176.300 0.079 0.000 1.161 8 M CA -0.175 55.171 55.300 0.078 0.000 1.126 8 M CB 1.292 33.899 32.600 0.012 0.000 1.522 8 M HN 0.676 nan 8.290 nan 0.000 0.461 9 T N -0.507 114.121 114.554 0.124 0.000 2.907 9 T HA 0.410 4.760 4.350 -0.000 0.000 0.290 9 T C -0.075 174.675 174.700 0.084 0.000 1.066 9 T CA -0.913 61.253 62.100 0.111 0.000 1.012 9 T CB 1.692 70.719 68.868 0.266 0.000 1.184 9 T HN 0.808 nan 8.240 nan 0.000 0.522 10 Q N -0.144 119.642 119.800 -0.023 0.000 2.237 10 Q HA 0.200 4.540 4.340 -0.000 0.000 0.252 10 Q C -0.684 175.283 176.000 -0.055 0.000 0.877 10 Q CA -0.304 55.479 55.803 -0.034 0.000 1.011 10 Q CB -0.279 28.404 28.738 -0.092 0.000 1.118 10 Q HN 0.639 nan 8.270 nan 0.000 0.458 11 H N 2.147 121.242 119.070 0.041 0.000 2.848 11 H HA 0.013 4.569 4.556 -0.000 0.000 0.341 11 H C -1.658 173.705 175.328 0.059 0.000 1.060 11 H CA -1.229 54.846 56.048 0.045 0.000 1.444 11 H CB 0.578 30.368 29.762 0.047 0.000 1.446 11 H HN 0.119 nan 8.280 nan 0.000 0.583 12 P HA -0.024 nan 4.420 nan 0.000 0.237 12 P C -0.286 177.089 177.300 0.126 0.000 1.723 12 P CA 0.075 63.245 63.100 0.118 0.000 0.882 12 P CB -0.055 31.701 31.700 0.093 0.000 1.810 13 D N -0.951 119.536 120.400 0.146 0.000 2.349 13 D HA -0.046 4.594 4.640 -0.000 0.000 0.214 13 D C 0.349 176.713 176.300 0.106 0.000 1.063 13 D CA -0.060 54.007 54.000 0.112 0.000 0.847 13 D CB -0.227 40.626 40.800 0.089 0.000 0.933 13 D HN 0.172 nan 8.370 nan 0.000 0.513 14 N N 0.687 119.463 118.700 0.127 0.000 2.381 14 N HA -0.009 4.731 4.740 -0.000 0.000 0.254 14 N C 0.921 176.482 175.510 0.086 0.000 1.264 14 N CA -0.446 52.684 53.050 0.133 0.000 0.942 14 N CB 1.822 40.414 38.487 0.174 0.000 1.190 14 N HN -0.154 nan 8.380 nan 0.000 0.495 15 V N 0.582 120.548 119.914 0.087 0.000 2.521 15 V HA 0.019 4.139 4.120 -0.000 0.000 0.239 15 V C 1.952 178.076 176.094 0.050 0.000 1.053 15 V CA 1.189 63.530 62.300 0.068 0.000 1.073 15 V CB -0.663 31.208 31.823 0.079 0.000 0.746 15 V HN 0.679 nan 8.190 nan 0.000 0.476 16 E N -0.259 119.968 120.200 0.045 0.000 2.244 16 E HA 0.082 4.432 4.350 -0.000 0.000 0.196 16 E C 0.273 176.877 176.600 0.008 0.000 0.939 16 E CA 0.399 56.818 56.400 0.032 0.000 0.884 16 E CB 0.365 30.090 29.700 0.043 0.000 0.850 16 E HN 0.431 nan 8.360 nan 0.000 0.481 17 T N 1.141 115.667 114.554 -0.047 0.000 2.744 17 T HA 0.164 4.514 4.350 -0.000 0.000 0.291 17 T C -0.858 173.779 174.700 -0.105 0.000 0.957 17 T CA -0.449 61.583 62.100 -0.114 0.000 1.002 17 T CB 0.500 69.198 68.868 -0.284 0.000 0.919 17 T HN 0.038 nan 8.240 nan 0.000 0.468 18 Y N 5.139 125.355 120.300 -0.141 0.000 2.336 18 Y HA 0.464 5.014 4.550 -0.000 0.000 0.335 18 Y C -0.672 175.147 175.900 -0.134 0.000 1.046 18 Y CA -1.538 56.492 58.100 -0.117 0.000 1.198 18 Y CB 0.363 38.781 38.460 -0.070 0.000 1.182 18 Y HN 0.425 nan 8.280 nan 0.000 0.502 19 I N 7.158 127.326 120.570 -0.670 0.000 2.359 19 I HA 0.177 4.347 4.170 -0.000 0.000 0.284 19 I C -0.028 175.591 176.117 -0.831 0.000 1.018 19 I CA -0.494 60.429 61.300 -0.628 0.000 1.173 19 I CB 0.620 38.430 38.000 -0.316 0.000 1.326 19 I HN 0.735 nan 8.210 nan 0.000 0.462 20 S N 5.707 120.902 115.700 -0.843 0.000 2.584 20 S HA 0.361 4.831 4.470 -0.000 0.000 0.273 20 S C 1.566 176.029 174.600 -0.228 0.000 1.311 20 S CA -0.810 57.087 58.200 -0.505 0.000 1.034 20 S CB 1.340 64.379 63.200 -0.269 0.000 0.939 20 S HN 0.606 nan 8.310 nan 0.000 0.513 21 I N -0.747 119.746 120.570 -0.128 0.000 2.381 21 I HA -0.292 3.878 4.170 -0.000 0.000 0.255 21 I C 2.083 178.158 176.117 -0.070 0.000 1.140 21 I CA 1.423 62.670 61.300 -0.088 0.000 1.404 21 I CB -0.737 37.232 38.000 -0.052 0.000 1.075 21 I HN 0.597 nan 8.210 nan 0.000 0.433 22 Q N 1.382 121.145 119.800 -0.061 0.000 2.050 22 Q HA -0.201 4.139 4.340 -0.000 0.000 0.202 22 Q C 2.231 178.199 176.000 -0.052 0.000 0.980 22 Q CA 2.021 57.798 55.803 -0.044 0.000 0.840 22 Q CB -0.303 28.417 28.738 -0.030 0.000 0.898 22 Q HN 0.680 nan 8.270 nan 0.000 0.424 23 Q N -0.142 119.610 119.800 -0.080 0.000 2.472 23 Q HA -0.059 4.281 4.340 -0.000 0.000 0.208 23 Q C 1.380 177.347 176.000 -0.054 0.000 0.958 23 Q CA 0.446 56.208 55.803 -0.067 0.000 0.932 23 Q CB 0.248 28.929 28.738 -0.094 0.000 1.007 23 Q HN 0.448 nan 8.270 nan 0.000 0.508 24 E N 0.503 120.662 120.200 -0.068 0.000 2.152 24 E HA -0.113 4.237 4.350 -0.000 0.000 0.192 24 E C -0.941 175.634 176.600 -0.041 0.000 0.983 24 E CA 0.522 56.888 56.400 -0.058 0.000 0.818 24 E CB -0.510 29.138 29.700 -0.086 0.000 0.758 24 E HN 0.321 nan 8.360 nan 0.000 0.467 25 P HA -0.164 nan 4.420 nan 0.000 0.213 25 P C 1.241 178.531 177.300 -0.016 0.000 1.170 25 P CA 1.786 64.871 63.100 -0.025 0.000 0.893 25 P CB -0.030 31.660 31.700 -0.017 0.000 0.784 26 A N -0.145 122.668 122.820 -0.011 0.000 1.978 26 A HA -0.264 4.056 4.320 -0.000 0.000 0.220 26 A C 2.304 179.889 177.584 0.001 0.000 1.170 26 A CA 1.855 53.890 52.037 -0.004 0.000 0.636 26 A CB -1.305 17.695 19.000 -0.001 0.000 0.810 26 A HN 0.250 nan 8.150 nan 0.000 0.448 27 E N 0.054 120.257 120.200 0.006 0.000 2.023 27 E HA -0.160 4.190 4.350 -0.000 0.000 0.196 27 E C 2.159 178.760 176.600 0.001 0.000 1.003 27 E CA 1.281 57.695 56.400 0.023 0.000 0.809 27 E CB -0.329 29.400 29.700 0.048 0.000 0.755 27 E HN 0.497 nan 8.360 nan 0.000 0.449 28 A N 0.893 123.707 122.820 -0.011 0.000 1.933 28 A HA -0.137 4.183 4.320 -0.000 0.000 0.218 28 A C 2.210 179.779 177.584 -0.025 0.000 1.175 28 A CA 1.348 53.372 52.037 -0.022 0.000 0.628 28 A CB -0.656 18.327 19.000 -0.029 0.000 0.814 28 A HN 0.384 nan 8.150 nan 0.000 0.444 29 I N -0.596 119.962 120.570 -0.020 0.000 2.208 29 I HA -0.270 3.900 4.170 -0.000 0.000 0.245 29 I C 2.608 178.713 176.117 -0.021 0.000 1.097 29 I CA 1.609 62.898 61.300 -0.019 0.000 1.363 29 I CB -0.202 37.790 38.000 -0.014 0.000 1.051 29 I HN 0.277 nan 8.210 nan 0.000 0.413 30 K N 1.074 121.464 120.400 -0.018 0.000 2.025 30 K HA -0.119 4.201 4.320 -0.000 0.000 0.207 30 K C 2.146 178.726 176.600 -0.034 0.000 1.049 30 K CA 1.564 57.839 56.287 -0.020 0.000 0.933 30 K CB -0.534 31.960 32.500 -0.010 0.000 0.714 30 K HN 0.388 nan 8.250 nan 0.000 0.438 31 G N 1.186 109.960 108.800 -0.044 0.000 2.469 31 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.220 31 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.220 31 G C 1.222 176.080 174.900 -0.070 0.000 1.136 31 G CA 0.625 45.686 45.100 -0.065 0.000 0.759 31 G HN 0.215 nan 8.290 nan 0.000 0.562 32 L N 1.259 122.449 121.223 -0.055 0.000 2.592 32 L HA 0.255 4.595 4.340 -0.000 0.000 0.227 32 L C 1.041 177.885 176.870 -0.043 0.000 1.127 32 L CA 0.189 54.997 54.840 -0.054 0.000 0.884 32 L CB -0.128 41.904 42.059 -0.045 0.000 1.065 32 L HN -0.048 nan 8.230 nan 0.000 0.457 33 T N 2.308 116.840 114.554 -0.037 0.000 2.884 33 T HA 0.213 4.563 4.350 -0.000 0.000 0.298 33 T C -2.375 172.307 174.700 -0.031 0.000 0.998 33 T CA -1.142 60.941 62.100 -0.028 0.000 1.124 33 T CB 0.742 69.597 68.868 -0.022 0.000 0.931 33 T HN -0.047 nan 8.240 nan 0.000 0.531 34 P HA 0.004 nan 4.420 nan 0.000 0.265 34 P C 0.648 177.935 177.300 -0.022 0.000 1.187 34 P CA 0.166 63.251 63.100 -0.025 0.000 0.766 34 P CB 0.710 32.399 31.700 -0.018 0.000 0.820 35 Q N 1.700 121.486 119.800 -0.023 0.000 2.135 35 Q HA -0.215 4.125 4.340 -0.000 0.000 0.204 35 Q C 1.053 177.047 176.000 -0.010 0.000 0.981 35 Q CA 1.976 57.768 55.803 -0.018 0.000 0.856 35 Q CB -0.122 28.605 28.738 -0.018 0.000 0.902 35 Q HN 0.578 nan 8.270 nan 0.000 0.425 36 D N -1.142 119.253 120.400 -0.009 0.000 2.319 36 D HA -0.030 4.610 4.640 -0.000 0.000 0.230 36 D C 0.385 176.682 176.300 -0.005 0.000 1.094 36 D CA 0.310 54.307 54.000 -0.005 0.000 0.856 36 D CB 0.113 40.910 40.800 -0.005 0.000 0.915 36 D HN 0.035 nan 8.370 nan 0.000 0.517 37 K N -0.245 120.151 120.400 -0.007 0.000 2.564 37 K HA 0.351 4.671 4.320 -0.000 0.000 0.205 37 K C 0.664 177.260 176.600 -0.005 0.000 1.053 37 K CA 0.149 56.433 56.287 -0.006 0.000 1.072 37 K CB 0.901 33.397 32.500 -0.008 0.000 0.822 37 K HN 0.213 nan 8.250 nan 0.000 0.497 38 G N 0.397 109.195 108.800 -0.005 0.000 2.213 38 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.236 38 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.236 38 G C 0.451 175.347 174.900 -0.007 0.000 0.991 38 G CA -0.113 44.985 45.100 -0.003 0.000 0.629 38 G HN 0.501 nan 8.290 nan 0.000 0.517 39 G N -0.824 107.968 108.800 -0.014 0.000 2.531 39 G HA2 0.619 4.579 3.960 -0.000 0.000 0.281 39 G HA3 0.619 4.579 3.960 -0.000 0.000 0.281 39 G C 1.047 175.929 174.900 -0.029 0.000 1.382 39 G CA -0.235 44.850 45.100 -0.024 0.000 1.045 39 G HN 0.508 nan 8.290 nan 0.000 0.533 40 L N -0.074 121.121 121.223 -0.046 0.000 2.513 40 L HA 0.254 4.594 4.340 -0.000 0.000 0.222 40 L C 2.034 178.860 176.870 -0.073 0.000 1.096 40 L CA 0.696 55.503 54.840 -0.055 0.000 0.857 40 L CB 0.088 42.103 42.059 -0.075 0.000 1.026 40 L HN 0.893 nan 8.230 nan 0.000 0.469 41 G N 1.224 109.979 108.800 -0.074 0.000 2.143 41 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.248 41 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.248 41 G C 0.259 175.088 174.900 -0.119 0.000 0.991 41 G CA -0.103 44.950 45.100 -0.077 0.000 0.689 41 G HN 0.264 nan 8.290 nan 0.000 0.522 42 I N -0.016 120.455 120.570 -0.165 0.000 2.696 42 I HA 0.237 4.407 4.170 -0.000 0.000 0.284 42 I C 1.267 177.302 176.117 -0.136 0.000 1.129 42 I CA 0.281 61.444 61.300 -0.229 0.000 1.410 42 I CB 0.828 38.656 38.000 -0.286 0.000 1.399 42 I HN 0.150 nan 8.210 nan 0.000 0.579 43 E N 3.461 123.590 120.200 -0.119 0.000 2.558 43 E HA 0.207 4.557 4.350 -0.000 0.000 0.205 43 E C -0.518 176.053 176.600 -0.050 0.000 1.006 43 E CA 0.015 56.375 56.400 -0.066 0.000 0.961 43 E CB 0.596 30.269 29.700 -0.044 0.000 1.044 43 E HN 0.479 nan 8.360 nan 0.000 0.465 44 E N 0.469 120.634 120.200 -0.058 0.000 2.451 44 E HA 0.205 4.555 4.350 -0.000 0.000 0.295 44 E C -2.023 174.557 176.600 -0.034 0.000 0.966 44 E CA -0.446 55.932 56.400 -0.036 0.000 0.808 44 E CB 2.023 31.711 29.700 -0.020 0.000 1.242 44 E HN -0.017 nan 8.360 nan 0.000 0.412 45 V N 5.558 125.456 119.914 -0.027 0.000 2.555 45 V HA 0.582 4.702 4.120 -0.000 0.000 0.302 45 V C -0.501 175.583 176.094 -0.018 0.000 1.038 45 V CA -0.633 61.654 62.300 -0.023 0.000 0.887 45 V CB 1.633 33.437 31.823 -0.030 0.000 0.991 45 V HN 0.850 nan 8.190 nan 0.000 0.434 46 M N 7.734 127.325 119.600 -0.015 0.000 2.080 46 M HA 0.548 5.028 4.480 -0.000 0.000 0.350 46 M C -1.222 175.042 176.300 -0.058 0.000 1.173 46 M CA -0.312 54.974 55.300 -0.023 0.000 1.052 46 M CB 0.787 33.381 32.600 -0.010 0.000 1.577 46 M HN 0.630 nan 8.290 nan 0.000 0.455 47 I N 4.688 125.218 120.570 -0.066 0.000 2.291 47 I HA 0.141 4.311 4.170 -0.000 0.000 0.292 47 I C -0.188 175.808 176.117 -0.203 0.000 1.064 47 I CA -0.475 60.730 61.300 -0.159 0.000 1.269 47 I CB 0.611 38.514 38.000 -0.162 0.000 1.418 47 I HN 0.610 nan 8.210 nan 0.000 0.485 48 D N 6.159 126.408 120.400 -0.252 0.000 2.344 48 D HA 0.092 4.731 4.640 -0.000 0.000 0.253 48 D C 0.146 176.282 176.300 -0.273 0.000 1.255 48 D CA 0.224 54.104 54.000 -0.200 0.000 0.894 48 D CB 0.499 41.182 40.800 -0.195 0.000 1.067 48 D HN 0.292 nan 8.370 nan 0.000 0.492 49 F N 1.849 121.767 119.950 -0.053 0.000 2.678 49 F HA 0.173 4.700 4.527 -0.000 0.000 0.305 49 F C 1.970 177.749 175.800 -0.035 0.000 1.090 49 F CA -0.280 57.697 58.000 -0.038 0.000 1.272 49 F CB 0.326 39.300 39.000 -0.042 0.000 1.060 49 F HN 0.437 nan 8.300 nan 0.000 0.576 50 E N 0.288 120.542 120.200 0.090 0.000 2.004 50 E HA -0.069 4.281 4.350 -0.000 0.000 0.193 50 E C 1.855 178.479 176.600 0.040 0.000 0.985 50 E CA 1.154 57.584 56.400 0.050 0.000 0.832 50 E CB -0.466 29.243 29.700 0.014 0.000 0.787 50 E HN 0.262 nan 8.360 nan 0.000 0.466 51 G N 0.719 109.528 108.800 0.016 0.000 3.605 51 G HA2 0.131 4.091 3.960 -0.000 0.000 0.277 51 G HA3 0.131 4.091 3.960 -0.000 0.000 0.277 51 G C -0.079 174.830 174.900 0.015 0.000 1.093 51 G CA -0.333 44.779 45.100 0.020 0.000 0.821 51 G HN 0.006 nan 8.290 nan 0.000 0.532 52 K N 0.070 120.474 120.400 0.008 0.000 2.208 52 K HA 0.524 4.844 4.320 -0.000 0.000 0.247 52 K C 0.080 176.692 176.600 0.019 0.000 0.953 52 K CA -0.960 55.322 56.287 -0.008 0.000 0.837 52 K CB 1.682 34.142 32.500 -0.066 0.000 1.131 52 K HN -0.042 nan 8.250 nan 0.000 0.431 53 L N 3.148 124.384 121.223 0.021 0.000 2.922 53 L HA 0.181 4.521 4.340 -0.000 0.000 0.244 53 L C -0.759 176.136 176.870 0.042 0.000 1.324 53 L CA 0.351 55.218 54.840 0.046 0.000 1.172 53 L CB -0.648 41.438 42.059 0.046 0.000 1.545 53 L HN 0.569 nan 8.230 nan 0.000 0.438 54 T N 2.915 117.474 114.554 0.008 0.000 2.853 54 T HA 0.172 4.522 4.350 -0.000 0.000 0.298 54 T C -2.244 172.543 174.700 0.146 0.000 0.978 54 T CA -0.651 61.409 62.100 -0.067 0.000 1.152 54 T CB 0.110 68.698 68.868 -0.467 0.000 0.914 54 T HN 0.291 nan 8.240 nan 0.000 0.539 55 P HA 0.074 nan 4.420 nan 0.000 0.274 55 P C 0.335 177.920 177.300 0.475 0.000 1.231 55 P CA -0.604 62.680 63.100 0.307 0.000 0.790 55 P CB 0.756 32.595 31.700 0.232 0.000 0.951 56 Y N 2.545 123.053 120.300 0.348 0.000 2.256 56 Y HA -0.273 4.277 4.550 -0.000 0.000 0.288 56 Y C 1.758 177.724 175.900 0.111 0.000 1.155 56 Y CA 1.992 60.184 58.100 0.153 0.000 1.203 56 Y CB -0.637 37.754 38.460 -0.114 0.000 0.980 56 Y HN 0.420 nan 8.280 nan 0.000 0.530 57 H N -0.892 118.308 119.070 0.217 0.000 2.556 57 H HA 0.032 4.588 4.556 -0.000 0.000 0.268 57 H C 1.970 177.318 175.328 0.032 0.000 0.996 57 H CA 0.857 56.969 56.048 0.107 0.000 1.157 57 H CB -0.253 29.593 29.762 0.140 0.000 1.355 57 H HN 0.480 nan 8.280 nan 0.000 0.597 58 Q N 0.153 120.052 119.800 0.164 0.000 2.230 58 Q HA -0.107 4.233 4.340 -0.000 0.000 0.202 58 Q C 1.324 177.338 176.000 0.023 0.000 0.963 58 Q CA 1.403 57.239 55.803 0.054 0.000 0.866 58 Q CB 0.283 28.989 28.738 -0.052 0.000 0.931 58 Q HN 0.461 nan 8.270 nan 0.000 0.452 59 T N 0.273 114.861 114.554 0.057 0.000 2.622 59 T HA -0.179 4.171 4.350 -0.000 0.000 0.266 59 T C 2.004 176.687 174.700 -0.029 0.000 1.047 59 T CA 1.795 63.906 62.100 0.019 0.000 1.159 59 T CB -0.416 68.444 68.868 -0.012 0.000 0.863 59 T HN 0.477 nan 8.240 nan 0.000 0.422 60 S N 1.801 117.469 115.700 -0.055 0.000 2.383 60 S HA -0.155 4.315 4.470 -0.000 0.000 0.227 60 S C 2.107 176.706 174.600 -0.001 0.000 1.026 60 S CA 0.865 59.044 58.200 -0.034 0.000 0.981 60 S CB -0.654 62.524 63.200 -0.037 0.000 0.818 60 S HN 0.492 nan 8.310 nan 0.000 0.472 61 Q N 0.734 120.548 119.800 0.025 0.000 2.133 61 Q HA -0.103 4.237 4.340 -0.000 0.000 0.208 61 Q C 2.151 178.152 176.000 0.003 0.000 0.991 61 Q CA 2.047 57.865 55.803 0.025 0.000 0.867 61 Q CB -0.436 28.323 28.738 0.033 0.000 0.911 61 Q HN 0.639 nan 8.270 nan 0.000 0.417 62 I N -0.346 120.219 120.570 -0.007 0.000 2.206 62 I HA -0.203 3.967 4.170 -0.000 0.000 0.239 62 I C 2.355 178.462 176.117 -0.017 0.000 1.078 62 I CA 0.767 62.057 61.300 -0.016 0.000 1.367 62 I CB -0.349 37.635 38.000 -0.026 0.000 1.078 62 I HN 0.152 nan 8.210 nan 0.000 0.413 63 A N 0.844 123.652 122.820 -0.020 0.000 1.908 63 A HA -0.177 4.143 4.320 -0.000 0.000 0.218 63 A C 2.206 179.778 177.584 -0.021 0.000 1.181 63 A CA 1.611 53.633 52.037 -0.024 0.000 0.627 63 A CB -0.909 18.072 19.000 -0.032 0.000 0.818 63 A HN 0.440 nan 8.150 nan 0.000 0.445 64 L N -1.207 120.005 121.223 -0.017 0.000 2.341 64 L HA 0.054 4.394 4.340 -0.000 0.000 0.214 64 L C 2.646 179.510 176.870 -0.009 0.000 1.115 64 L CA 0.555 55.387 54.840 -0.013 0.000 0.820 64 L CB -0.560 41.493 42.059 -0.009 0.000 0.944 64 L HN 0.466 nan 8.230 nan 0.000 0.452 65 G N 0.441 109.237 108.800 -0.008 0.000 2.394 65 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.215 65 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.215 65 G C 1.620 176.514 174.900 -0.010 0.000 1.165 65 G CA 0.273 45.369 45.100 -0.007 0.000 0.784 65 G HN 0.154 nan 8.290 nan 0.000 0.535 66 L N 0.159 121.374 121.223 -0.013 0.000 1.994 66 L HA -0.026 4.314 4.340 -0.000 0.000 0.208 66 L C 2.856 179.718 176.870 -0.013 0.000 1.071 66 L CA 0.872 55.703 54.840 -0.015 0.000 0.745 66 L CB -0.391 41.657 42.059 -0.018 0.000 0.892 66 L HN 0.163 nan 8.230 nan 0.000 0.431 67 I N -0.157 120.404 120.570 -0.014 0.000 2.194 67 I HA -0.338 3.832 4.170 -0.000 0.000 0.246 67 I C 2.685 178.796 176.117 -0.010 0.000 1.093 67 I CA 1.791 63.083 61.300 -0.013 0.000 1.355 67 I CB -0.368 37.623 38.000 -0.015 0.000 1.046 67 I HN 0.384 nan 8.210 nan 0.000 0.413 68 S N 0.221 115.916 115.700 -0.008 0.000 2.515 68 S HA -0.062 4.408 4.470 -0.000 0.000 0.231 68 S C 1.211 175.808 174.600 -0.005 0.000 0.987 68 S CA 0.791 58.987 58.200 -0.006 0.000 0.936 68 S CB -0.391 62.806 63.200 -0.003 0.000 0.766 68 S HN 0.391 nan 8.310 nan 0.000 0.528 69 N N 1.229 119.924 118.700 -0.007 0.000 2.279 69 N HA 0.348 5.088 4.740 -0.000 0.000 0.226 69 N C 0.988 176.493 175.510 -0.008 0.000 1.126 69 N CA 0.490 53.535 53.050 -0.007 0.000 0.846 69 N CB 0.320 38.802 38.487 -0.008 0.000 1.050 69 N HN 0.530 nan 8.380 nan 0.000 0.502 70 G N 0.471 109.266 108.800 -0.008 0.000 2.180 70 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.263 70 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.263 70 G C -0.029 174.865 174.900 -0.010 0.000 0.989 70 G CA 0.154 45.249 45.100 -0.008 0.000 0.692 70 G HN 0.389 nan 8.290 nan 0.000 0.526 71 I N 1.506 122.069 120.570 -0.012 0.000 2.328 71 I HA 0.342 4.512 4.170 -0.000 0.000 0.287 71 I C 0.068 176.176 176.117 -0.015 0.000 1.012 71 I CA -0.967 60.324 61.300 -0.014 0.000 1.195 71 I CB 1.146 39.136 38.000 -0.017 0.000 1.350 71 I HN -0.132 nan 8.210 nan 0.000 0.464 72 I N 9.018 129.580 120.570 -0.014 0.000 2.307 72 I HA 0.282 4.452 4.170 -0.000 0.000 0.287 72 I C -2.137 173.971 176.117 -0.015 0.000 1.054 72 I CA -2.629 58.662 61.300 -0.014 0.000 1.218 72 I CB 0.468 38.461 38.000 -0.012 0.000 1.398 72 I HN 0.223 nan 8.210 nan 0.000 0.475 73 P HA 0.215 nan 4.420 nan 0.000 0.271 73 P C 0.867 178.158 177.300 -0.016 0.000 1.220 73 P CA 0.634 63.723 63.100 -0.018 0.000 0.768 73 P CB 1.363 33.051 31.700 -0.021 0.000 0.848 74 G N 3.378 112.171 108.800 -0.013 0.000 2.313 74 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.215 74 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.215 74 G C 1.053 175.949 174.900 -0.007 0.000 1.023 74 G CA -0.043 45.051 45.100 -0.010 0.000 0.626 74 G HN 0.495 nan 8.290 nan 0.000 0.503 75 K N -0.066 120.330 120.400 -0.008 0.000 2.266 75 K HA 0.200 4.520 4.320 -0.000 0.000 0.209 75 K C 1.544 178.141 176.600 -0.006 0.000 1.065 75 K CA 1.036 57.319 56.287 -0.006 0.000 0.946 75 K CB -0.099 32.397 32.500 -0.006 0.000 1.069 75 K HN 0.233 nan 8.250 nan 0.000 0.472 76 D N 0.995 121.390 120.400 -0.009 0.000 2.201 76 D HA -0.020 4.620 4.640 -0.000 0.000 0.209 76 D C 0.938 177.229 176.300 -0.014 0.000 0.961 76 D CA 0.693 54.686 54.000 -0.011 0.000 0.861 76 D CB 0.468 41.260 40.800 -0.013 0.000 0.997 76 D HN 0.082 nan 8.370 nan 0.000 0.486 77 V N -2.138 117.766 119.914 -0.016 0.000 3.078 77 V HA 0.613 4.733 4.120 -0.000 0.000 0.311 77 V C -0.793 175.291 176.094 -0.017 0.000 1.138 77 V CA -1.223 61.065 62.300 -0.020 0.000 1.007 77 V CB 2.771 34.578 31.823 -0.027 0.000 1.045 77 V HN -0.203 nan 8.190 nan 0.000 0.432 78 R N 1.068 121.558 120.500 -0.017 0.000 2.540 78 R HA 0.819 5.159 4.340 -0.000 0.000 0.287 78 R C -1.421 174.869 176.300 -0.016 0.000 0.980 78 R CA -0.785 55.307 56.100 -0.014 0.000 0.966 78 R CB 2.243 32.538 30.300 -0.009 0.000 1.106 78 R HN 0.627 nan 8.270 nan 0.000 0.480 79 V N 2.110 122.015 119.914 -0.014 0.000 2.350 79 V HA 0.234 4.354 4.120 -0.000 0.000 0.285 79 V C -0.365 175.725 176.094 -0.007 0.000 1.014 79 V CA -0.425 61.867 62.300 -0.014 0.000 0.831 79 V CB 1.777 33.591 31.823 -0.016 0.000 1.000 79 V HN 0.767 nan 8.190 nan 0.000 0.433 80 T N 7.835 122.386 114.554 -0.004 0.000 2.977 80 T HA 0.389 4.739 4.350 -0.000 0.000 0.346 80 T C -2.679 172.028 174.700 0.013 0.000 1.140 80 T CA -1.161 60.940 62.100 0.002 0.000 1.040 80 T CB 1.476 70.343 68.868 -0.002 0.000 1.046 80 T HN 0.364 nan 8.240 nan 0.000 0.494 81 P HA 0.260 nan 4.420 nan 0.000 0.274 81 P C -0.352 176.988 177.300 0.067 0.000 1.231 81 P CA -0.707 62.445 63.100 0.086 0.000 0.790 81 P CB 0.677 32.487 31.700 0.184 0.000 0.951 82 R N 4.010 124.557 120.500 0.077 0.000 2.272 82 R HA 0.357 4.697 4.340 -0.000 0.000 0.323 82 R C -0.282 176.069 176.300 0.084 0.000 1.002 82 R CA -0.582 55.544 56.100 0.042 0.000 0.900 82 R CB -0.290 30.011 30.300 0.003 0.000 1.151 82 R HN 0.502 nan 8.270 nan 0.000 0.507 83 I N 1.429 122.019 120.570 0.034 0.000 2.677 83 I HA 0.551 4.721 4.170 -0.000 0.000 0.305 83 I C -2.258 173.830 176.117 -0.049 0.000 0.988 83 I CA -3.079 58.223 61.300 0.003 0.000 1.260 83 I CB 0.776 38.715 38.000 -0.102 0.000 1.410 83 I HN 0.325 nan 8.210 nan 0.000 0.523 84 P HA -0.036 nan 4.420 nan 0.000 0.266 84 P C -0.888 176.311 177.300 -0.167 0.000 1.193 84 P CA -0.002 63.059 63.100 -0.064 0.000 0.770 84 P CB 0.288 31.965 31.700 -0.039 0.000 0.836 85 N N 1.715 120.337 118.700 -0.130 0.000 2.422 85 N HA 0.184 4.924 4.740 -0.000 0.000 0.264 85 N C 0.904 176.346 175.510 -0.113 0.000 1.063 85 N CA -0.150 52.789 53.050 -0.186 0.000 0.959 85 N CB 0.856 39.335 38.487 -0.013 0.000 1.087 85 N HN 0.292 nan 8.380 nan 0.000 0.483 86 A N 4.557 127.267 122.820 -0.183 0.000 1.897 86 A HA -0.145 4.175 4.320 -0.000 0.000 0.215 86 A C 1.770 179.408 177.584 0.090 0.000 1.181 86 A CA 1.338 53.363 52.037 -0.019 0.000 0.620 86 A CB -0.666 18.338 19.000 0.007 0.000 0.821 86 A HN 0.863 nan 8.150 nan 0.000 0.443 87 N N -0.049 118.765 118.700 0.190 0.000 2.132 87 N HA -0.187 4.553 4.740 -0.000 0.000 0.191 87 N C 1.652 177.209 175.510 0.078 0.000 1.015 87 N CA 1.803 54.935 53.050 0.137 0.000 0.864 87 N CB -0.024 38.557 38.487 0.157 0.000 1.006 87 N HN 0.379 nan 8.380 nan 0.000 0.430 88 K N 0.571 121.013 120.400 0.070 0.000 2.121 88 K HA 0.110 4.430 4.320 -0.000 0.000 0.203 88 K C 1.357 177.973 176.600 0.027 0.000 1.041 88 K CA 0.772 57.085 56.287 0.043 0.000 0.969 88 K CB -0.192 32.334 32.500 0.043 0.000 0.799 88 K HN 0.257 nan 8.250 nan 0.000 0.456 89 E N 0.913 121.125 120.200 0.019 0.000 3.262 89 E HA 0.031 4.381 4.350 -0.000 0.000 0.485 89 E C 0.072 176.681 176.600 0.015 0.000 0.288 89 E CA 0.044 56.453 56.400 0.015 0.000 2.824 89 E CB 0.421 30.127 29.700 0.010 0.000 2.232 89 E HN 0.193 nan 8.360 nan 0.000 0.424 90 S N -1.357 114.353 115.700 0.017 0.000 2.570 90 S HA 0.183 4.653 4.470 -0.000 0.000 0.270 90 S C 0.787 175.417 174.600 0.051 0.000 1.149 90 S CA -0.327 57.886 58.200 0.021 0.000 0.837 90 S CB 1.288 64.489 63.200 0.001 0.000 1.124 90 S HN 0.182 nan 8.310 nan 0.000 0.465 91 V N -0.238 119.723 119.914 0.078 0.000 2.343 91 V HA -0.020 4.100 4.120 -0.000 0.000 0.247 91 V C 2.016 178.262 176.094 0.254 0.000 1.051 91 V CA 1.604 63.991 62.300 0.145 0.000 1.036 91 V CB -1.683 30.244 31.823 0.173 0.000 0.654 91 V HN 0.827 nan 8.190 nan 0.000 0.451 92 F N 0.681 120.620 119.950 -0.017 0.000 2.102 92 F HA -0.132 4.395 4.527 -0.000 0.000 0.298 92 F C 2.948 178.730 175.800 -0.031 0.000 1.105 92 F CA 1.747 59.734 58.000 -0.021 0.000 1.239 92 F CB -0.159 38.832 39.000 -0.014 0.000 0.991 92 F HN 0.003 nan 8.300 nan 0.000 0.474 93 R N 0.197 120.805 120.500 0.180 0.000 2.080 93 R HA -0.271 4.069 4.340 -0.000 0.000 0.236 93 R C 2.127 178.425 176.300 -0.004 0.000 1.137 93 R CA 2.023 58.166 56.100 0.072 0.000 0.943 93 R CB -0.691 29.646 30.300 0.062 0.000 0.846 93 R HN 0.302 nan 8.270 nan 0.000 0.431 94 Q N 0.785 120.575 119.800 -0.018 0.000 2.077 94 Q HA -0.199 4.141 4.340 -0.000 0.000 0.206 94 Q C 1.971 177.910 176.000 -0.101 0.000 0.989 94 Q CA 1.703 57.451 55.803 -0.093 0.000 0.853 94 Q CB -0.172 28.491 28.738 -0.125 0.000 0.907 94 Q HN 0.361 nan 8.270 nan 0.000 0.418 95 L N 0.045 121.235 121.223 -0.054 0.000 2.017 95 L HA -0.206 4.134 4.340 -0.000 0.000 0.208 95 L C 2.753 179.560 176.870 -0.104 0.000 1.073 95 L CA 1.324 56.117 54.840 -0.079 0.000 0.745 95 L CB -0.641 41.367 42.059 -0.086 0.000 0.894 95 L HN 0.521 nan 8.230 nan 0.000 0.432 96 M N 0.362 119.903 119.600 -0.099 0.000 2.103 96 M HA -0.268 4.212 4.480 -0.000 0.000 0.255 96 M C 2.430 178.668 176.300 -0.103 0.000 1.074 96 M CA 2.820 58.081 55.300 -0.064 0.000 1.090 96 M CB -0.555 32.024 32.600 -0.035 0.000 1.325 96 M HN 0.403 nan 8.290 nan 0.000 0.403 97 S N 0.282 115.788 115.700 -0.323 0.000 2.387 97 S HA -0.051 4.419 4.470 -0.000 0.000 0.226 97 S C 1.999 176.326 174.600 -0.455 0.000 1.026 97 S CA 1.326 59.094 58.200 -0.721 0.000 0.972 97 S CB -0.932 61.636 63.200 -1.053 0.000 0.814 97 S HN 0.641 nan 8.310 nan 0.000 0.477 98 I N 1.627 122.042 120.570 -0.257 0.000 2.179 98 I HA -0.196 3.974 4.170 -0.000 0.000 0.242 98 I C 2.735 178.784 176.117 -0.114 0.000 1.088 98 I CA 1.422 62.625 61.300 -0.161 0.000 1.357 98 I CB -0.510 37.427 38.000 -0.104 0.000 1.051 98 I HN 0.229 nan 8.210 nan 0.000 0.409 99 M N 0.599 120.164 119.600 -0.059 0.000 2.108 99 M HA -0.263 4.217 4.480 -0.000 0.000 0.257 99 M C 2.611 178.923 176.300 0.021 0.000 1.071 99 M CA 2.485 57.808 55.300 0.038 0.000 1.093 99 M CB -0.563 32.100 32.600 0.105 0.000 1.345 99 M HN 0.439 nan 8.290 nan 0.000 0.403 100 S N 0.446 116.043 115.700 -0.172 0.000 2.382 100 S HA -0.116 4.354 4.470 -0.000 0.000 0.228 100 S C 1.715 176.121 174.600 -0.324 0.000 1.027 100 S CA 1.170 59.002 58.200 -0.613 0.000 0.991 100 S CB -0.905 61.617 63.200 -1.129 0.000 0.823 100 S HN 0.532 nan 8.310 nan 0.000 0.469 101 I N 0.402 120.837 120.570 -0.225 0.000 2.394 101 I HA -0.077 4.093 4.170 -0.000 0.000 0.251 101 I C 2.159 178.213 176.117 -0.105 0.000 1.136 101 I CA 0.841 62.058 61.300 -0.138 0.000 1.425 101 I CB -0.373 37.563 38.000 -0.107 0.000 1.079 101 I HN 0.263 nan 8.210 nan 0.000 0.425 102 I N 0.777 121.297 120.570 -0.084 0.000 2.233 102 I HA -0.245 3.925 4.170 -0.000 0.000 0.243 102 I C 2.595 178.644 176.117 -0.114 0.000 1.093 102 I CA 1.479 62.742 61.300 -0.061 0.000 1.380 102 I CB -0.488 37.509 38.000 -0.005 0.000 1.067 102 I HN 0.193 nan 8.210 nan 0.000 0.413 103 E N -0.189 119.947 120.200 -0.106 0.000 2.085 103 E HA -0.232 4.118 4.350 -0.000 0.000 0.194 103 E C 2.038 178.494 176.600 -0.239 0.000 0.994 103 E CA 1.816 58.084 56.400 -0.219 0.000 0.801 103 E CB 0.003 29.682 29.700 -0.035 0.000 0.743 103 E HN 0.404 nan 8.360 nan 0.000 0.453 104 T N 0.758 115.211 114.554 -0.169 0.000 2.821 104 T HA -0.087 4.263 4.350 -0.000 0.000 0.267 104 T C 1.520 176.145 174.700 -0.126 0.000 1.046 104 T CA 1.123 63.139 62.100 -0.139 0.000 1.139 104 T CB -0.234 68.558 68.868 -0.125 0.000 0.871 104 T HN 0.160 nan 8.240 nan 0.000 0.454 105 N N 0.851 119.478 118.700 -0.122 0.000 2.166 105 N HA -0.052 4.688 4.740 -0.000 0.000 0.186 105 N C 1.822 177.259 175.510 -0.121 0.000 1.019 105 N CA 0.616 53.605 53.050 -0.100 0.000 0.856 105 N CB -0.647 37.791 38.487 -0.081 0.000 0.993 105 N HN 0.179 nan 8.380 nan 0.000 0.426 106 V N 1.086 120.886 119.914 -0.190 0.000 2.358 106 V HA -0.221 3.899 4.120 -0.000 0.000 0.246 106 V C 2.062 178.047 176.094 -0.182 0.000 1.047 106 V CA 1.589 63.754 62.300 -0.226 0.000 1.035 106 V CB -0.460 31.091 31.823 -0.453 0.000 0.658 106 V HN 0.361 nan 8.190 nan 0.000 0.452 107 Q N 0.316 120.006 119.800 -0.183 0.000 2.083 107 Q HA -0.131 4.209 4.340 -0.000 0.000 0.198 107 Q C 2.461 178.415 176.000 -0.077 0.000 0.969 107 Q CA 1.833 57.566 55.803 -0.117 0.000 0.838 107 Q CB -0.331 28.348 28.738 -0.099 0.000 0.900 107 Q HN 0.798 nan 8.270 nan 0.000 0.436 108 S N 1.511 117.166 115.700 -0.076 0.000 2.348 108 S HA -0.229 4.241 4.470 -0.000 0.000 0.221 108 S C 1.911 176.484 174.600 -0.046 0.000 1.033 108 S CA 1.291 59.460 58.200 -0.053 0.000 1.010 108 S CB -0.409 62.761 63.200 -0.050 0.000 0.891 108 S HN 0.255 nan 8.310 nan 0.000 0.442 109 K N 1.447 121.816 120.400 -0.052 0.000 2.173 109 K HA -0.184 4.136 4.320 -0.000 0.000 0.207 109 K C 1.970 178.550 176.600 -0.034 0.000 1.046 109 K CA 1.735 57.998 56.287 -0.040 0.000 0.929 109 K CB -0.209 32.265 32.500 -0.043 0.000 0.720 109 K HN 0.575 nan 8.250 nan 0.000 0.453 110 E N -0.096 120.080 120.200 -0.040 0.000 2.427 110 E HA -0.070 4.280 4.350 -0.000 0.000 0.196 110 E C 1.677 178.265 176.600 -0.021 0.000 1.028 110 E CA 0.439 56.822 56.400 -0.028 0.000 0.864 110 E CB 0.214 29.895 29.700 -0.031 0.000 0.813 110 E HN 0.365 nan 8.360 nan 0.000 0.514 111 L N -0.406 120.803 121.223 -0.023 0.000 2.425 111 L HA 0.039 4.379 4.340 -0.000 0.000 0.215 111 L C 2.375 179.236 176.870 -0.015 0.000 1.065 111 L CA 1.211 56.041 54.840 -0.017 0.000 0.842 111 L CB 0.275 42.323 42.059 -0.019 0.000 1.033 111 L HN 0.164 nan 8.230 nan 0.000 0.474 112 T N -5.310 109.234 114.554 -0.017 0.000 2.958 112 T HA 0.268 4.618 4.350 -0.000 0.000 0.256 112 T C 1.381 176.073 174.700 -0.013 0.000 0.983 112 T CA 0.648 62.739 62.100 -0.014 0.000 0.924 112 T CB 1.143 70.001 68.868 -0.016 0.000 1.136 112 T HN 0.318 nan 8.240 nan 0.000 0.506 113 G N 0.811 109.601 108.800 -0.015 0.000 2.176 113 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.253 113 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.253 113 G C 0.141 175.033 174.900 -0.014 0.000 0.979 113 G CA 0.249 45.341 45.100 -0.013 0.000 0.641 113 G HN 0.825 nan 8.290 nan 0.000 0.530 114 T N 3.393 117.937 114.554 -0.017 0.000 2.812 114 T HA 0.605 4.955 4.350 -0.000 0.000 0.282 114 T C -2.674 172.012 174.700 -0.024 0.000 0.990 114 T CA -0.925 61.165 62.100 -0.017 0.000 0.960 114 T CB 3.147 72.007 68.868 -0.014 0.000 0.948 114 T HN 0.107 nan 8.240 nan 0.000 0.438 115 P HA 0.216 nan 4.420 nan 0.000 0.271 115 P C 0.475 177.757 177.300 -0.031 0.000 1.216 115 P CA -0.231 62.848 63.100 -0.035 0.000 0.776 115 P CB 0.796 32.476 31.700 -0.034 0.000 0.881 116 A N 4.158 126.955 122.820 -0.037 0.000 1.972 116 A HA -0.054 4.266 4.320 -0.000 0.000 0.219 116 A C 1.094 178.663 177.584 -0.026 0.000 1.169 116 A CA 1.295 53.313 52.037 -0.032 0.000 0.635 116 A CB -0.716 18.262 19.000 -0.037 0.000 0.810 116 A HN 0.581 nan 8.150 nan 0.000 0.446 117 I N -1.218 119.335 120.570 -0.028 0.000 2.545 117 I HA 0.273 4.443 4.170 -0.000 0.000 0.292 117 I C 0.923 177.031 176.117 -0.016 0.000 1.040 117 I CA 0.143 61.430 61.300 -0.021 0.000 1.068 117 I CB 2.428 40.413 38.000 -0.024 0.000 1.251 117 I HN 0.119 nan 8.210 nan 0.000 0.424 118 S N 3.070 118.765 115.700 -0.007 0.000 2.549 118 S HA 0.393 4.863 4.470 -0.000 0.000 0.225 118 S C 0.128 174.733 174.600 0.008 0.000 1.039 118 S CA -0.206 57.994 58.200 0.000 0.000 0.942 118 S CB 0.193 63.395 63.200 0.004 0.000 0.881 118 S HN 0.689 nan 8.310 nan 0.000 0.503 119 E N 0.378 120.581 120.200 0.005 0.000 2.412 119 E HA 0.650 5.000 4.350 -0.000 0.000 0.279 119 E C -1.396 175.207 176.600 0.004 0.000 0.984 119 E CA -1.187 55.219 56.400 0.010 0.000 0.788 119 E CB 2.388 32.096 29.700 0.012 0.000 1.277 119 E HN 0.233 nan 8.360 nan 0.000 0.455 120 V N -1.839 118.077 119.914 0.004 0.000 3.040 120 V HA 0.771 4.891 4.120 -0.000 0.000 0.312 120 V C -0.637 175.454 176.094 -0.004 0.000 1.115 120 V CA -0.934 61.365 62.300 -0.002 0.000 0.998 120 V CB 1.705 33.519 31.823 -0.014 0.000 1.042 120 V HN 0.480 nan 8.190 nan 0.000 0.433 121 V N 1.777 121.688 119.914 -0.006 0.000 2.581 121 V HA 0.702 4.822 4.120 -0.000 0.000 0.303 121 V C -0.363 175.718 176.094 -0.022 0.000 1.041 121 V CA -0.471 61.822 62.300 -0.012 0.000 0.907 121 V CB 1.784 33.601 31.823 -0.009 0.000 0.994 121 V HN 0.789 nan 8.190 nan 0.000 0.442 122 V N 6.256 126.159 119.914 -0.018 0.000 2.531 122 V HA 0.456 4.576 4.120 -0.000 0.000 0.301 122 V C -2.191 173.905 176.094 0.002 0.000 1.034 122 V CA -1.576 60.704 62.300 -0.033 0.000 0.865 122 V CB 2.081 33.882 31.823 -0.038 0.000 0.995 122 V HN 0.724 nan 8.190 nan 0.000 0.424 123 P HA 0.238 nan 4.420 nan 0.000 0.286 123 P C 0.389 177.711 177.300 0.037 0.000 1.293 123 P CA -0.564 62.545 63.100 0.014 0.000 0.770 123 P CB 0.340 32.045 31.700 0.009 0.000 1.206 124 M N -2.374 117.246 119.600 0.033 0.000 2.076 124 M HA -0.185 4.295 4.480 -0.000 0.000 0.192 124 M C -0.121 176.210 176.300 0.052 0.000 0.303 124 M CA 0.727 56.051 55.300 0.040 0.000 0.368 124 M CB -1.528 31.099 32.600 0.045 0.000 0.992 124 M HN 0.184 nan 8.290 nan 0.000 0.948 125 I N 0.609 121.202 120.570 0.038 0.000 2.452 125 I HA 0.007 4.177 4.170 -0.000 0.000 0.287 125 I C 1.251 177.363 176.117 -0.009 0.000 1.079 125 I CA 0.673 61.989 61.300 0.028 0.000 1.387 125 I CB 1.228 39.231 38.000 0.005 0.000 1.404 125 I HN 0.345 nan 8.210 nan 0.000 0.522 126 E N 3.419 123.610 120.200 -0.015 0.000 2.228 126 E HA 0.040 4.390 4.350 -0.000 0.000 0.197 126 E C 0.336 176.905 176.600 -0.051 0.000 0.909 126 E CA 0.459 56.843 56.400 -0.027 0.000 0.911 126 E CB 0.482 30.174 29.700 -0.015 0.000 0.887 126 E HN 0.739 nan 8.360 nan 0.000 0.481 127 T N -3.485 111.029 114.554 -0.067 0.000 2.942 127 T HA 0.545 4.895 4.350 -0.000 0.000 0.289 127 T C 1.148 175.791 174.700 -0.095 0.000 1.044 127 T CA -0.389 61.666 62.100 -0.076 0.000 1.023 127 T CB 1.587 70.412 68.868 -0.072 0.000 1.123 127 T HN 0.040 nan 8.240 nan 0.000 0.512 128 G N 0.212 108.967 108.800 -0.074 0.000 2.443 128 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.219 128 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.219 128 G C 1.296 176.184 174.900 -0.019 0.000 1.131 128 G CA 0.844 45.917 45.100 -0.045 0.000 0.775 128 G HN 0.862 nan 8.290 nan 0.000 0.547 129 K N 0.530 120.899 120.400 -0.051 0.000 2.057 129 K HA -0.033 4.287 4.320 -0.000 0.000 0.206 129 K C 2.211 178.713 176.600 -0.163 0.000 1.050 129 K CA 1.425 57.671 56.287 -0.068 0.000 0.935 129 K CB -0.227 32.231 32.500 -0.071 0.000 0.715 129 K HN 0.347 nan 8.250 nan 0.000 0.439 130 E N 0.584 120.635 120.200 -0.248 0.000 2.086 130 E HA -0.244 4.106 4.350 -0.000 0.000 0.200 130 E C 1.892 178.109 176.600 -0.639 0.000 1.012 130 E CA 2.167 58.259 56.400 -0.514 0.000 0.812 130 E CB -0.181 29.292 29.700 -0.378 0.000 0.743 130 E HN 0.403 nan 8.360 nan 0.000 0.453 131 I N 0.169 120.548 120.570 -0.318 0.000 2.127 131 I HA -0.298 3.872 4.170 -0.000 0.000 0.241 131 I C 2.554 178.623 176.117 -0.080 0.000 1.075 131 I CA 1.098 62.256 61.300 -0.236 0.000 1.334 131 I CB -0.447 37.236 38.000 -0.529 0.000 1.040 131 I HN 0.022 nan 8.210 nan 0.000 0.405 132 S N -0.002 115.750 115.700 0.087 0.000 2.382 132 S HA -0.225 4.245 4.470 -0.000 0.000 0.228 132 S C 1.977 176.594 174.600 0.027 0.000 1.027 132 S CA 1.417 59.720 58.200 0.172 0.000 0.991 132 S CB -0.336 62.958 63.200 0.157 0.000 0.823 132 S HN 0.484 nan 8.310 nan 0.000 0.469 133 E N -0.065 120.064 120.200 -0.118 0.000 2.118 133 E HA -0.188 4.162 4.350 -0.000 0.000 0.195 133 E C 1.362 177.951 176.600 -0.019 0.000 0.992 133 E CA 1.181 57.493 56.400 -0.148 0.000 0.804 133 E CB -0.093 29.419 29.700 -0.312 0.000 0.741 133 E HN 0.458 nan 8.360 nan 0.000 0.458 134 F N 0.747 120.710 119.950 0.020 0.000 2.187 134 F HA -0.020 4.507 4.527 -0.000 0.000 0.295 134 F C 2.578 178.389 175.800 0.018 0.000 1.091 134 F CA 0.912 58.918 58.000 0.010 0.000 1.308 134 F CB -1.252 37.743 39.000 -0.008 0.000 1.030 134 F HN 0.067 nan 8.300 nan 0.000 0.487 135 Q N 1.143 121.077 119.800 0.223 0.000 2.096 135 Q HA -0.232 4.108 4.340 -0.000 0.000 0.208 135 Q C 1.673 177.737 176.000 0.107 0.000 0.993 135 Q CA 2.371 58.266 55.803 0.154 0.000 0.862 135 Q CB -0.580 28.271 28.738 0.188 0.000 0.915 135 Q HN 0.287 nan 8.270 nan 0.000 0.416 136 D N -0.635 119.822 120.400 0.095 0.000 2.133 136 D HA -0.210 4.430 4.640 -0.000 0.000 0.195 136 D C 1.902 178.243 176.300 0.067 0.000 0.997 136 D CA 1.644 55.682 54.000 0.063 0.000 0.840 136 D CB -0.347 40.482 40.800 0.049 0.000 0.947 136 D HN 0.364 nan 8.370 nan 0.000 0.452 137 R N 0.729 121.291 120.500 0.103 0.000 2.073 137 R HA -0.100 4.240 4.340 -0.000 0.000 0.234 137 R C 2.173 178.505 176.300 0.054 0.000 1.134 137 R CA 1.067 57.222 56.100 0.092 0.000 0.952 137 R CB -0.394 29.991 30.300 0.142 0.000 0.850 137 R HN -0.003 nan 8.270 nan 0.000 0.433 138 V N 1.845 121.793 119.914 0.056 0.000 2.287 138 V HA -0.279 3.841 4.120 -0.000 0.000 0.248 138 V C 1.834 177.937 176.094 0.014 0.000 1.053 138 V CA 2.162 64.476 62.300 0.024 0.000 1.027 138 V CB -0.741 31.098 31.823 0.027 0.000 0.646 138 V HN 0.439 nan 8.190 nan 0.000 0.447 139 N N 0.807 119.518 118.700 0.019 0.000 2.149 139 N HA -0.151 4.589 4.740 -0.000 0.000 0.188 139 N C 2.121 177.634 175.510 0.006 0.000 1.019 139 N CA 1.801 54.853 53.050 0.005 0.000 0.857 139 N CB -0.579 37.908 38.487 -0.001 0.000 0.997 139 N HN 0.676 nan 8.380 nan 0.000 0.426 140 S N -0.289 115.419 115.700 0.013 0.000 2.400 140 S HA -0.091 4.379 4.470 -0.000 0.000 0.232 140 S C 1.965 176.568 174.600 0.005 0.000 1.025 140 S CA 1.223 59.429 58.200 0.010 0.000 0.993 140 S CB -0.587 62.623 63.200 0.018 0.000 0.808 140 S HN 0.091 nan 8.310 nan 0.000 0.478 141 V N 1.175 121.092 119.914 0.004 0.000 2.725 141 V HA 0.004 4.124 4.120 -0.000 0.000 0.247 141 V C 2.586 178.689 176.094 0.014 0.000 1.058 141 V CA 0.935 63.237 62.300 0.003 0.000 1.080 141 V CB -0.740 31.079 31.823 -0.007 0.000 0.713 141 V HN 0.414 nan 8.190 nan 0.000 0.465 142 V N 0.643 120.562 119.914 0.008 0.000 2.282 142 V HA -0.319 3.801 4.120 -0.000 0.000 0.249 142 V C 2.383 178.488 176.094 0.019 0.000 1.057 142 V CA 2.456 64.763 62.300 0.011 0.000 1.032 142 V CB -0.664 31.157 31.823 -0.002 0.000 0.645 142 V HN 0.546 nan 8.190 nan 0.000 0.447 143 D N -0.818 119.588 120.400 0.009 0.000 2.084 143 D HA -0.179 4.461 4.640 -0.000 0.000 0.194 143 D C 2.150 178.454 176.300 0.006 0.000 0.990 143 D CA 1.509 55.512 54.000 0.006 0.000 0.826 143 D CB -0.296 40.504 40.800 0.000 0.000 0.971 143 D HN 0.330 nan 8.370 nan 0.000 0.453 144 M N 0.614 120.215 119.600 0.003 0.000 2.089 144 M HA -0.186 4.294 4.480 -0.000 0.000 0.257 144 M C 2.107 178.410 176.300 0.005 0.000 1.071 144 M CA 2.137 57.433 55.300 -0.007 0.000 1.096 144 M CB -0.425 32.168 32.600 -0.011 0.000 1.330 144 M HN 0.066 nan 8.290 nan 0.000 0.403 145 G N 0.098 108.928 108.800 0.050 0.000 2.480 145 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.216 145 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.216 145 G C 1.142 176.115 174.900 0.122 0.000 1.200 145 G CA 1.166 46.349 45.100 0.138 0.000 0.782 145 G HN 0.457 nan 8.290 nan 0.000 0.554 146 N N 0.814 119.560 118.700 0.076 0.000 2.417 146 N HA -0.081 4.659 4.740 -0.000 0.000 0.187 146 N C 1.978 177.501 175.510 0.022 0.000 1.027 146 N CA 0.857 53.940 53.050 0.056 0.000 0.891 146 N CB -0.129 38.376 38.487 0.030 0.000 0.956 146 N HN 0.479 nan 8.380 nan 0.000 0.442 147 K N -0.080 120.314 120.400 -0.010 0.000 2.365 147 K HA 0.121 4.441 4.320 -0.000 0.000 0.197 147 K C 0.818 177.366 176.600 -0.087 0.000 1.042 147 K CA 0.474 56.736 56.287 -0.041 0.000 0.987 147 K CB 0.306 32.778 32.500 -0.047 0.000 0.779 147 K HN 0.184 nan 8.250 nan 0.000 0.484 148 N N -0.511 118.099 118.700 -0.150 0.000 2.273 148 N HA 0.046 4.786 4.740 -0.000 0.000 0.192 148 N C -0.579 174.646 175.510 -0.476 0.000 1.132 148 N CA 0.352 53.188 53.050 -0.357 0.000 0.887 148 N CB 0.693 38.854 38.487 -0.544 0.000 1.048 148 N HN 0.033 nan 8.380 nan 0.000 0.490 149 Y N 1.275 121.568 120.300 -0.011 0.000 2.409 149 Y HA 0.357 4.907 4.550 -0.000 0.000 0.343 149 Y C 1.401 177.296 175.900 -0.008 0.000 0.973 149 Y CA -1.004 57.090 58.100 -0.009 0.000 1.064 149 Y CB 1.651 40.106 38.460 -0.008 0.000 1.207 149 Y HN -0.321 nan 8.280 nan 0.000 0.452 150 K N 0.489 120.978 120.400 0.149 0.000 2.044 150 K HA -0.081 4.239 4.320 -0.000 0.000 0.210 150 K C 0.170 176.814 176.600 0.074 0.000 1.049 150 K CA 1.436 57.772 56.287 0.081 0.000 0.927 150 K CB -0.402 32.134 32.500 0.060 0.000 0.713 150 K HN 0.574 nan 8.250 nan 0.000 0.443 151 T N 3.271 117.873 114.554 0.081 0.000 2.799 151 T HA 0.083 4.433 4.350 -0.000 0.000 0.296 151 T C 0.252 174.979 174.700 0.045 0.000 0.947 151 T CA -0.080 62.044 62.100 0.040 0.000 1.141 151 T CB 0.723 69.592 68.868 0.003 0.000 0.891 151 T HN -0.003 nan 8.240 nan 0.000 0.533 152 K N 2.980 123.396 120.400 0.028 0.000 2.090 152 K HA 0.660 4.980 4.320 -0.000 0.000 0.249 152 K C -0.193 176.411 176.600 0.007 0.000 0.995 152 K CA -0.604 55.698 56.287 0.026 0.000 0.914 152 K CB 1.308 33.820 32.500 0.019 0.000 1.057 152 K HN 0.451 nan 8.250 nan 0.000 0.462 153 L N 0.487 121.713 121.223 0.006 0.000 2.376 153 L HA 0.370 4.710 4.340 -0.000 0.000 0.258 153 L C -0.482 176.383 176.870 -0.009 0.000 1.013 153 L CA -1.124 53.711 54.840 -0.007 0.000 0.822 153 L CB 1.959 44.010 42.059 -0.013 0.000 1.388 153 L HN 0.427 nan 8.230 nan 0.000 0.413 154 D N 0.926 121.315 120.400 -0.017 0.000 2.294 154 D HA 0.435 5.075 4.640 -0.000 0.000 0.250 154 D C -0.346 175.934 176.300 -0.034 0.000 1.058 154 D CA -0.446 53.539 54.000 -0.024 0.000 0.950 154 D CB 1.466 42.249 40.800 -0.028 0.000 1.158 154 D HN 0.010 nan 8.370 nan 0.000 0.453 155 L N 2.051 123.247 121.223 -0.045 0.000 2.452 155 L HA 0.085 4.425 4.340 -0.000 0.000 0.267 155 L C 1.012 177.820 176.870 -0.103 0.000 1.188 155 L CA 0.220 55.022 54.840 -0.063 0.000 0.821 155 L CB -0.337 41.683 42.059 -0.066 0.000 1.102 155 L HN 0.343 nan 8.230 nan 0.000 0.470 156 N N -0.314 118.316 118.700 -0.116 0.000 2.778 156 N HA -0.242 4.498 4.740 -0.000 0.000 0.249 156 N C 1.372 176.834 175.510 -0.080 0.000 1.069 156 N CA 1.175 54.130 53.050 -0.159 0.000 0.831 156 N CB -1.133 37.100 38.487 -0.425 0.000 1.142 156 N HN 0.796 nan 8.380 nan 0.000 0.573 157 S N -1.655 114.015 115.700 -0.050 0.000 2.387 157 S HA 0.024 4.494 4.470 -0.000 0.000 0.226 157 S C 0.807 175.401 174.600 -0.010 0.000 1.026 157 S CA 0.809 58.994 58.200 -0.026 0.000 0.972 157 S CB 0.249 63.435 63.200 -0.025 0.000 0.814 157 S HN 0.082 nan 8.310 nan 0.000 0.477 158 V N 3.382 123.290 119.914 -0.009 0.000 2.350 158 V HA 0.496 4.616 4.120 -0.000 0.000 0.276 158 V C 0.120 176.226 176.094 0.020 0.000 1.028 158 V CA -0.764 61.536 62.300 0.001 0.000 0.860 158 V CB 1.036 32.853 31.823 -0.010 0.000 0.990 158 V HN 0.345 nan 8.190 nan 0.000 0.453 159 R N 4.091 124.613 120.500 0.037 0.000 2.668 159 R HA 0.593 4.933 4.340 -0.000 0.000 0.279 159 R C -0.880 175.455 176.300 0.058 0.000 0.976 159 R CA -1.001 55.141 56.100 0.070 0.000 0.978 159 R CB 1.958 32.316 30.300 0.097 0.000 1.133 159 R HN 0.453 nan 8.270 nan 0.000 0.484 160 I N 3.327 123.943 120.570 0.075 0.000 2.471 160 I HA 0.170 4.340 4.170 -0.000 0.000 0.286 160 I C 0.604 176.727 176.117 0.009 0.000 1.079 160 I CA -0.172 61.152 61.300 0.040 0.000 1.398 160 I CB 0.238 38.263 38.000 0.041 0.000 1.403 160 I HN 0.433 nan 8.210 nan 0.000 0.530 161 I N 8.784 129.351 120.570 -0.005 0.000 2.307 161 I HA 0.227 4.397 4.170 -0.000 0.000 0.289 161 I C -2.017 174.077 176.117 -0.039 0.000 1.021 161 I CA -1.771 59.513 61.300 -0.026 0.000 1.224 161 I CB 1.430 39.417 38.000 -0.022 0.000 1.376 161 I HN 0.304 nan 8.210 nan 0.000 0.470 162 P HA 0.116 nan 4.420 nan 0.000 0.275 162 P C -0.988 176.279 177.300 -0.055 0.000 1.228 162 P CA -0.414 62.646 63.100 -0.067 0.000 0.786 162 P CB 1.418 33.043 31.700 -0.126 0.000 0.927 163 L N 4.223 125.426 121.223 -0.033 0.000 2.343 163 L HA 0.398 4.738 4.340 -0.000 0.000 0.278 163 L C -1.139 175.714 176.870 -0.028 0.000 0.996 163 L CA -0.673 54.147 54.840 -0.032 0.000 0.831 163 L CB 1.544 43.593 42.059 -0.016 0.000 1.232 163 L HN 0.030 nan 8.230 nan 0.000 0.413 164 V N 5.483 125.371 119.914 -0.043 0.000 2.427 164 V HA 0.461 4.581 4.120 -0.000 0.000 0.286 164 V C 0.525 176.603 176.094 -0.028 0.000 1.034 164 V CA -0.254 62.022 62.300 -0.040 0.000 0.893 164 V CB 1.218 33.004 31.823 -0.062 0.000 0.982 164 V HN 0.905 nan 8.190 nan 0.000 0.452 165 E N 1.540 121.733 120.200 -0.011 0.000 2.571 165 E HA 0.116 4.466 4.350 -0.000 0.000 0.222 165 E C -0.303 176.309 176.600 0.021 0.000 0.904 165 E CA -0.121 56.281 56.400 0.003 0.000 1.157 165 E CB 1.015 30.724 29.700 0.015 0.000 1.158 165 E HN 0.833 nan 8.360 nan 0.000 0.540 166 D N -0.141 120.269 120.400 0.017 0.000 2.163 166 D HA 0.115 4.755 4.640 -0.000 0.000 0.248 166 D C 1.027 177.321 176.300 -0.009 0.000 1.035 166 D CA -0.436 53.590 54.000 0.043 0.000 0.872 166 D CB 2.052 42.872 40.800 0.033 0.000 1.183 166 D HN -0.287 nan 8.370 nan 0.000 0.445 167 V N 4.144 124.034 119.914 -0.041 0.000 2.358 167 V HA -0.061 4.059 4.120 -0.000 0.000 0.246 167 V C -1.028 174.950 176.094 -0.194 0.000 1.047 167 V CA 1.428 63.599 62.300 -0.215 0.000 1.035 167 V CB -1.147 30.321 31.823 -0.592 0.000 0.658 167 V HN 0.661 nan 8.190 nan 0.000 0.452 168 P HA -0.200 nan 4.420 nan 0.000 0.215 168 P C 1.763 179.013 177.300 -0.084 0.000 1.157 168 P CA 2.248 65.282 63.100 -0.110 0.000 0.874 168 P CB -0.214 31.441 31.700 -0.074 0.000 0.790 169 A N -0.641 122.138 122.820 -0.067 0.000 1.892 169 A HA -0.213 4.107 4.320 -0.000 0.000 0.218 169 A C 2.309 179.848 177.584 -0.074 0.000 1.188 169 A CA 1.784 53.783 52.037 -0.064 0.000 0.631 169 A CB -1.703 17.267 19.000 -0.051 0.000 0.822 169 A HN 0.116 nan 8.150 nan 0.000 0.447 170 L N -1.098 120.080 121.223 -0.074 0.000 2.056 170 L HA -0.176 4.164 4.340 -0.000 0.000 0.207 170 L C 3.129 179.956 176.870 -0.072 0.000 1.078 170 L CA 1.005 55.802 54.840 -0.072 0.000 0.749 170 L CB -0.637 41.381 42.059 -0.068 0.000 0.901 170 L HN 0.477 nan 8.230 nan 0.000 0.433 171 A N -0.123 122.645 122.820 -0.086 0.000 1.828 171 A HA -0.166 4.154 4.320 -0.000 0.000 0.215 171 A C 1.224 178.770 177.584 -0.063 0.000 1.203 171 A CA 1.234 53.221 52.037 -0.083 0.000 0.614 171 A CB -0.662 18.276 19.000 -0.103 0.000 0.844 171 A HN 0.437 nan 8.150 nan 0.000 0.445 172 N N 0.364 119.026 118.700 -0.062 0.000 2.663 172 N HA 0.266 5.006 4.740 -0.000 0.000 0.250 172 N C 0.338 175.810 175.510 -0.062 0.000 1.129 172 N CA -0.083 52.938 53.050 -0.049 0.000 0.995 172 N CB 0.969 39.431 38.487 -0.041 0.000 1.324 172 N HN 0.465 nan 8.380 nan 0.000 0.512 173 I N 2.197 122.727 120.570 -0.067 0.000 2.628 173 I HA -0.038 4.132 4.170 -0.000 0.000 0.255 173 I C 1.371 177.383 176.117 -0.174 0.000 1.119 173 I CA 1.169 62.404 61.300 -0.107 0.000 1.448 173 I CB 0.122 38.066 38.000 -0.093 0.000 1.133 173 I HN 0.301 nan 8.210 nan 0.000 0.438 174 D N 0.826 121.133 120.400 -0.155 0.000 2.178 174 D HA -0.144 4.496 4.640 -0.000 0.000 0.202 174 D C 2.294 178.475 176.300 -0.199 0.000 0.974 174 D CA 1.481 55.313 54.000 -0.280 0.000 0.841 174 D CB -0.801 39.995 40.800 -0.007 0.000 0.953 174 D HN 0.313 nan 8.370 nan 0.000 0.478 175 R N 0.857 121.308 120.500 -0.083 0.000 2.133 175 R HA -0.166 4.174 4.340 -0.000 0.000 0.247 175 R C 2.188 178.434 176.300 -0.089 0.000 1.151 175 R CA 1.939 58.008 56.100 -0.052 0.000 0.971 175 R CB -1.792 28.487 30.300 -0.034 0.000 0.866 175 R HN 0.363 nan 8.270 nan 0.000 0.447 176 I N 0.378 120.864 120.570 -0.140 0.000 2.141 176 I HA -0.135 4.035 4.170 -0.000 0.000 0.236 176 I C 2.586 178.577 176.117 -0.209 0.000 1.071 176 I CA 1.291 62.499 61.300 -0.153 0.000 1.345 176 I CB -0.385 37.519 38.000 -0.160 0.000 1.066 176 I HN 0.236 nan 8.210 nan 0.000 0.406 177 L N 0.064 121.043 121.223 -0.407 0.000 1.955 177 L HA -0.287 4.053 4.340 -0.000 0.000 0.213 177 L C 2.309 178.903 176.870 -0.460 0.000 1.072 177 L CA 1.950 56.389 54.840 -0.668 0.000 0.755 177 L CB -0.822 40.364 42.059 -1.456 0.000 0.888 177 L HN 0.245 nan 8.230 nan 0.000 0.432 178 D N -0.383 119.766 120.400 -0.419 0.000 2.172 178 D HA -0.274 4.366 4.640 -0.000 0.000 0.196 178 D C 2.098 178.487 176.300 0.148 0.000 0.999 178 D CA 1.527 55.636 54.000 0.181 0.000 0.856 178 D CB 0.078 41.073 40.800 0.324 0.000 0.934 178 D HN 0.315 nan 8.370 nan 0.000 0.453 179 E N -1.351 118.876 120.200 0.046 0.000 2.051 179 E HA -0.285 4.065 4.350 -0.000 0.000 0.192 179 E C 2.001 178.646 176.600 0.073 0.000 0.991 179 E CA 1.174 57.604 56.400 0.050 0.000 0.799 179 E CB -0.137 29.569 29.700 0.010 0.000 0.748 179 E HN 0.447 nan 8.360 nan 0.000 0.449 180 H N -0.662 118.390 119.070 -0.030 0.000 2.352 180 H HA -0.207 4.349 4.556 -0.000 0.000 0.299 180 H C 1.850 177.198 175.328 0.033 0.000 1.097 180 H CA 2.200 58.233 56.048 -0.025 0.000 1.311 180 H CB -0.607 29.117 29.762 -0.062 0.000 1.377 180 H HN 0.313 nan 8.280 nan 0.000 0.504 181 Y N 1.574 121.798 120.300 -0.127 0.000 2.030 181 Y HA -0.265 4.285 4.550 -0.000 0.000 0.274 181 Y C 2.437 178.250 175.900 -0.145 0.000 1.153 181 Y CA 2.321 60.345 58.100 -0.126 0.000 1.115 181 Y CB -0.300 38.237 38.460 0.127 0.000 0.969 181 Y HN 0.246 nan 8.280 nan 0.000 0.488 182 E N 0.437 120.650 120.200 0.021 0.000 2.097 182 E HA -0.232 4.118 4.350 -0.000 0.000 0.196 182 E C 2.340 178.867 176.600 -0.121 0.000 1.000 182 E CA 1.928 58.297 56.400 -0.052 0.000 0.804 182 E CB -0.571 29.160 29.700 0.052 0.000 0.740 182 E HN 0.660 nan 8.360 nan 0.000 0.454 183 I N 1.041 121.550 120.570 -0.102 0.000 2.493 183 I HA -0.193 3.977 4.170 -0.000 0.000 0.254 183 I C 2.222 178.252 176.117 -0.144 0.000 1.160 183 I CA 0.833 62.077 61.300 -0.093 0.000 1.445 183 I CB -0.109 37.864 38.000 -0.045 0.000 1.086 183 I HN -0.033 nan 8.210 nan 0.000 0.433 184 E N 0.875 120.917 120.200 -0.264 0.000 2.076 184 E HA -0.164 4.186 4.350 -0.000 0.000 0.190 184 E C 2.017 178.469 176.600 -0.246 0.000 0.979 184 E CA 0.671 56.913 56.400 -0.262 0.000 0.807 184 E CB -0.118 29.327 29.700 -0.425 0.000 0.761 184 E HN 0.371 nan 8.360 nan 0.000 0.454 185 K N 1.106 121.281 120.400 -0.375 0.000 2.034 185 K HA -0.187 4.133 4.320 -0.000 0.000 0.214 185 K C 2.209 178.714 176.600 -0.158 0.000 1.051 185 K CA 2.171 58.266 56.287 -0.319 0.000 0.931 185 K CB -0.061 32.206 32.500 -0.387 0.000 0.715 185 K HN 0.100 nan 8.250 nan 0.000 0.446 186 S N 0.512 116.137 115.700 -0.124 0.000 2.399 186 S HA -0.125 4.345 4.470 -0.000 0.000 0.231 186 S C 1.635 176.205 174.600 -0.049 0.000 1.022 186 S CA 1.172 59.331 58.200 -0.070 0.000 0.983 186 S CB -0.201 62.967 63.200 -0.053 0.000 0.803 186 S HN 0.302 nan 8.310 nan 0.000 0.480 187 K N 1.010 121.381 120.400 -0.048 0.000 2.504 187 K HA 0.157 4.477 4.320 -0.000 0.000 0.195 187 K C 1.250 177.845 176.600 -0.009 0.000 1.036 187 K CA 0.431 56.706 56.287 -0.021 0.000 0.984 187 K CB -0.407 32.089 32.500 -0.007 0.000 0.788 187 K HN 0.609 nan 8.250 nan 0.000 0.488 188 G N 1.354 110.141 108.800 -0.023 0.000 2.132 188 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.234 188 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.234 188 G C -0.348 174.574 174.900 0.037 0.000 0.989 188 G CA 0.001 45.095 45.100 -0.010 0.000 0.676 188 G HN 0.620 nan 8.290 nan 0.000 0.522 189 H N 0.373 119.381 119.070 -0.105 0.000 2.683 189 H HA 0.497 5.053 4.556 -0.000 0.000 0.270 189 H C 0.688 175.919 175.328 -0.161 0.000 1.201 189 H CA -0.857 55.129 56.048 -0.103 0.000 1.277 189 H CB 0.015 29.726 29.762 -0.085 0.000 1.400 189 H HN 0.406 nan 8.280 nan 0.000 0.504 190 I N 3.106 123.554 120.570 -0.203 0.000 2.471 190 I HA 0.174 4.344 4.170 -0.000 0.000 0.286 190 I C -0.434 175.479 176.117 -0.341 0.000 1.079 190 I CA -0.227 60.886 61.300 -0.312 0.000 1.398 190 I CB 0.464 38.381 38.000 -0.137 0.000 1.403 190 I HN 0.342 nan 8.210 nan 0.000 0.530 191 L N 6.776 127.791 121.223 -0.345 0.000 2.371 191 L HA 0.394 4.734 4.340 -0.000 0.000 0.272 191 L C 1.189 178.101 176.870 0.070 0.000 1.124 191 L CA -0.405 54.343 54.840 -0.152 0.000 0.816 191 L CB 0.599 42.657 42.059 -0.001 0.000 1.129 191 L HN 0.677 nan 8.230 nan 0.000 0.448 192 K N 1.303 121.741 120.400 0.062 0.000 2.399 192 K HA 0.159 4.479 4.320 -0.000 0.000 0.196 192 K C -0.370 176.278 176.600 0.079 0.000 1.103 192 K CA 0.292 56.625 56.287 0.076 0.000 0.986 192 K CB 0.708 33.242 32.500 0.057 0.000 0.952 192 K HN 0.775 nan 8.250 nan 0.000 0.541 193 D N 0.133 120.587 120.400 0.090 0.000 2.753 193 D HA 0.301 4.941 4.640 -0.000 0.000 0.224 193 D C -1.035 175.329 176.300 0.107 0.000 1.213 193 D CA -0.709 53.344 54.000 0.087 0.000 0.833 193 D CB 1.742 42.581 40.800 0.065 0.000 1.607 193 D HN -0.246 nan 8.370 nan 0.000 0.463 194 L N 0.288 121.570 121.223 0.099 0.000 2.388 194 L HA 0.576 4.916 4.340 -0.000 0.000 0.264 194 L C -1.070 175.814 176.870 0.023 0.000 0.998 194 L CA -0.557 54.336 54.840 0.088 0.000 0.817 194 L CB 2.041 44.177 42.059 0.128 0.000 1.338 194 L HN 0.620 nan 8.230 nan 0.000 0.414 195 R N 4.537 125.042 120.500 0.008 0.000 2.561 195 R HA 0.833 5.173 4.340 -0.000 0.000 0.297 195 R C -1.243 175.028 176.300 -0.048 0.000 0.969 195 R CA -0.545 55.538 56.100 -0.028 0.000 0.879 195 R CB 1.421 31.712 30.300 -0.015 0.000 1.178 195 R HN 0.767 nan 8.270 nan 0.000 0.445 196 I N 0.199 120.723 120.570 -0.076 0.000 3.174 196 I HA 0.626 4.796 4.170 -0.000 0.000 0.313 196 I C -1.450 174.612 176.117 -0.091 0.000 1.155 196 I CA -1.335 59.912 61.300 -0.089 0.000 0.977 196 I CB 2.710 40.642 38.000 -0.113 0.000 1.248 196 I HN 0.638 nan 8.210 nan 0.000 0.453 197 M N 3.944 123.493 119.600 -0.085 0.000 2.271 197 M HA 0.589 5.069 4.480 -0.000 0.000 0.285 197 M C -2.259 173.993 176.300 -0.080 0.000 1.059 197 M CA -0.416 54.832 55.300 -0.086 0.000 0.940 197 M CB 2.241 34.802 32.600 -0.066 0.000 1.636 197 M HN 0.631 nan 8.290 nan 0.000 0.460 198 I N 4.309 124.824 120.570 -0.093 0.000 2.355 198 I HA 0.486 4.656 4.170 -0.000 0.000 0.288 198 I C 0.161 176.226 176.117 -0.086 0.000 0.999 198 I CA -0.664 60.588 61.300 -0.081 0.000 1.163 198 I CB 1.882 39.837 38.000 -0.075 0.000 1.316 198 I HN 0.829 nan 8.210 nan 0.000 0.454 199 A N 6.259 129.042 122.820 -0.062 0.000 2.451 199 A HA 0.244 4.564 4.320 -0.000 0.000 0.266 199 A C 1.268 178.804 177.584 -0.080 0.000 1.119 199 A CA -0.160 51.841 52.037 -0.060 0.000 0.786 199 A CB 0.288 19.273 19.000 -0.025 0.000 1.061 199 A HN 0.731 nan 8.150 nan 0.000 0.503 200 R N 1.827 122.259 120.500 -0.113 0.000 2.127 200 R HA -0.063 4.277 4.340 -0.000 0.000 0.217 200 R C 2.005 178.225 176.300 -0.133 0.000 1.074 200 R CA 1.832 57.854 56.100 -0.129 0.000 0.991 200 R CB -0.549 29.646 30.300 -0.175 0.000 0.895 200 R HN 0.851 nan 8.270 nan 0.000 0.450 201 S N 0.072 115.706 115.700 -0.110 0.000 2.335 201 S HA -0.087 4.383 4.470 -0.000 0.000 0.217 201 S C 1.598 176.154 174.600 -0.074 0.000 1.032 201 S CA 1.180 59.326 58.200 -0.090 0.000 0.985 201 S CB -0.454 62.716 63.200 -0.050 0.000 0.896 201 S HN 0.188 nan 8.310 nan 0.000 0.445 202 D N 1.482 121.862 120.400 -0.034 0.000 2.310 202 D HA -0.017 4.623 4.640 -0.000 0.000 0.212 202 D C 2.034 178.314 176.300 -0.034 0.000 0.965 202 D CA 1.426 55.418 54.000 -0.014 0.000 0.879 202 D CB -0.052 40.756 40.800 0.013 0.000 0.921 202 D HN 0.674 nan 8.370 nan 0.000 0.510 203 T N -2.347 112.179 114.554 -0.047 0.000 2.852 203 T HA 0.109 4.459 4.350 -0.000 0.000 0.256 203 T C 2.146 176.811 174.700 -0.058 0.000 1.038 203 T CA 0.688 62.790 62.100 0.004 0.000 1.141 203 T CB -0.520 68.343 68.868 -0.009 0.000 0.869 203 T HN 0.031 nan 8.240 nan 0.000 0.439 204 A N 2.306 124.999 122.820 -0.211 0.000 1.883 204 A HA -0.050 4.270 4.320 -0.000 0.000 0.217 204 A C 2.485 179.847 177.584 -0.369 0.000 1.186 204 A CA 2.156 53.941 52.037 -0.420 0.000 0.624 204 A CB -1.017 17.504 19.000 -0.797 0.000 0.822 204 A HN 0.578 nan 8.150 nan 0.000 0.444 205 M N 0.365 119.844 119.600 -0.201 0.000 2.088 205 M HA -0.236 4.244 4.480 -0.000 0.000 0.256 205 M C 2.106 178.338 176.300 -0.113 0.000 1.071 205 M CA 2.712 58.075 55.300 0.105 0.000 1.097 205 M CB -0.254 32.358 32.600 0.020 0.000 1.315 205 M HN 0.439 nan 8.290 nan 0.000 0.406 206 S N -0.985 114.536 115.700 -0.298 0.000 2.387 206 S HA -0.098 4.372 4.470 -0.000 0.000 0.226 206 S C 1.115 175.228 174.600 -0.812 0.000 1.026 206 S CA 1.093 58.904 58.200 -0.647 0.000 0.972 206 S CB -0.423 62.305 63.200 -0.788 0.000 0.814 206 S HN 0.683 nan 8.310 nan 0.000 0.477 207 Y N 1.351 121.476 120.300 -0.291 0.000 2.500 207 Y HA 0.491 5.041 4.550 -0.000 0.000 0.246 207 Y C 1.252 176.797 175.900 -0.590 0.000 1.146 207 Y CA -0.108 57.821 58.100 -0.285 0.000 1.230 207 Y CB 0.424 38.790 38.460 -0.155 0.000 1.214 207 Y HN 0.397 nan 8.280 nan 0.000 0.526 208 G N 0.160 108.282 108.800 -1.130 0.000 2.612 208 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.686 208 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.686 208 G C -0.058 174.691 174.900 -0.250 0.000 1.274 208 G CA -0.342 44.157 45.100 -1.002 0.000 0.849 208 G HN 0.182 nan 8.290 nan 0.000 0.595 209 L N 0.618 121.888 121.223 0.077 0.000 1.988 209 L HA 0.194 4.534 4.340 -0.000 0.000 0.207 209 L C 2.830 179.766 176.870 0.111 0.000 1.071 209 L CA 2.527 57.441 54.840 0.123 0.000 0.744 209 L CB -0.713 41.572 42.059 0.376 0.000 0.893 209 L HN 0.698 nan 8.230 nan 0.000 0.433 210 I N -0.726 119.953 120.570 0.182 0.000 2.226 210 I HA -0.257 3.913 4.170 -0.000 0.000 0.245 210 I C 2.366 178.537 176.117 0.089 0.000 1.100 210 I CA 1.292 62.722 61.300 0.216 0.000 1.374 210 I CB -0.674 37.446 38.000 0.199 0.000 1.057 210 I HN 0.253 nan 8.210 nan 0.000 0.413 211 S N 1.233 116.964 115.700 0.053 0.000 2.359 211 S HA -0.150 4.320 4.470 -0.000 0.000 0.224 211 S C 2.223 176.804 174.600 -0.031 0.000 1.035 211 S CA 1.420 59.629 58.200 0.015 0.000 1.018 211 S CB -1.103 62.114 63.200 0.028 0.000 0.876 211 S HN 0.632 nan 8.310 nan 0.000 0.448 212 G N 1.710 110.480 108.800 -0.051 0.000 2.446 212 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.217 212 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.217 212 G C 1.463 176.317 174.900 -0.077 0.000 1.168 212 G CA 1.196 46.249 45.100 -0.078 0.000 0.771 212 G HN 0.440 nan 8.290 nan 0.000 0.551 213 V N 1.103 120.961 119.914 -0.093 0.000 2.270 213 V HA -0.105 4.015 4.120 -0.000 0.000 0.245 213 V C 2.910 178.922 176.094 -0.135 0.000 1.043 213 V CA 1.474 63.682 62.300 -0.152 0.000 1.014 213 V CB -0.659 30.877 31.823 -0.479 0.000 0.645 213 V HN 0.331 nan 8.190 nan 0.000 0.447 214 L N 0.017 121.169 121.223 -0.117 0.000 2.081 214 L HA -0.205 4.135 4.340 -0.000 0.000 0.212 214 L C 2.669 179.485 176.870 -0.090 0.000 1.080 214 L CA 1.615 56.403 54.840 -0.087 0.000 0.754 214 L CB -0.751 41.297 42.059 -0.019 0.000 0.893 214 L HN 0.316 nan 8.230 nan 0.000 0.433 215 S N -0.305 115.348 115.700 -0.079 0.000 2.351 215 S HA -0.175 4.295 4.470 -0.000 0.000 0.220 215 S C 2.050 176.620 174.600 -0.050 0.000 1.035 215 S CA 1.523 59.675 58.200 -0.081 0.000 1.031 215 S CB -0.305 62.840 63.200 -0.091 0.000 0.928 215 S HN 0.185 nan 8.310 nan 0.000 0.433 216 V N 2.398 122.296 119.914 -0.027 0.000 2.324 216 V HA -0.211 3.909 4.120 -0.000 0.000 0.250 216 V C 2.179 178.310 176.094 0.062 0.000 1.060 216 V CA 1.669 63.980 62.300 0.019 0.000 1.042 216 V CB -0.854 31.002 31.823 0.055 0.000 0.650 216 V HN 0.419 nan 8.190 nan 0.000 0.450 217 L N -1.351 119.906 121.223 0.056 0.000 2.056 217 L HA -0.185 4.155 4.340 -0.000 0.000 0.207 217 L C 2.590 179.514 176.870 0.090 0.000 1.078 217 L CA 1.690 56.596 54.840 0.112 0.000 0.749 217 L CB -0.524 41.583 42.059 0.080 0.000 0.901 217 L HN 0.305 nan 8.230 nan 0.000 0.433 218 M N -0.361 119.213 119.600 -0.043 0.000 2.149 218 M HA -0.214 4.266 4.480 -0.000 0.000 0.261 218 M C 2.538 178.848 176.300 0.017 0.000 1.064 218 M CA 1.906 57.169 55.300 -0.061 0.000 1.102 218 M CB -0.556 31.975 32.600 -0.116 0.000 1.369 218 M HN 0.344 nan 8.290 nan 0.000 0.408 219 A N -0.038 122.790 122.820 0.013 0.000 1.858 219 A HA -0.114 4.206 4.320 -0.000 0.000 0.216 219 A C 2.219 179.844 177.584 0.069 0.000 1.190 219 A CA 1.751 53.798 52.037 0.016 0.000 0.617 219 A CB -1.029 17.964 19.000 -0.013 0.000 0.827 219 A HN 0.294 nan 8.150 nan 0.000 0.443 220 V N 0.487 120.472 119.914 0.117 0.000 2.407 220 V HA -0.255 3.865 4.120 -0.000 0.000 0.248 220 V C 2.310 178.586 176.094 0.303 0.000 1.055 220 V CA 2.507 64.925 62.300 0.197 0.000 1.049 220 V CB -0.855 31.102 31.823 0.223 0.000 0.662 220 V HN 0.707 nan 8.190 nan 0.000 0.455 221 D N 0.486 121.055 120.400 0.281 0.000 2.077 221 D HA -0.104 4.536 4.640 -0.000 0.000 0.193 221 D C 2.256 178.707 176.300 0.252 0.000 0.989 221 D CA 1.695 55.875 54.000 0.300 0.000 0.831 221 D CB -0.673 40.379 40.800 0.421 0.000 0.979 221 D HN 0.290 nan 8.370 nan 0.000 0.449 222 G N 0.197 109.106 108.800 0.181 0.000 2.547 222 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.221 222 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.221 222 G C 1.681 176.687 174.900 0.178 0.000 1.140 222 G CA 1.767 46.955 45.100 0.146 0.000 0.760 222 G HN 0.479 nan 8.290 nan 0.000 0.583 223 A N -0.149 122.754 122.820 0.137 0.000 1.858 223 A HA 0.038 4.358 4.320 -0.000 0.000 0.216 223 A C 2.252 179.945 177.584 0.183 0.000 1.190 223 A CA 1.629 53.724 52.037 0.098 0.000 0.617 223 A CB -0.669 18.312 19.000 -0.031 0.000 0.827 223 A HN 0.387 nan 8.150 nan 0.000 0.443 224 Y N 0.270 120.655 120.300 0.142 0.000 2.224 224 Y HA -0.174 4.376 4.550 -0.000 0.000 0.289 224 Y C 2.492 178.460 175.900 0.114 0.000 1.146 224 Y CA 1.933 60.104 58.100 0.118 0.000 1.182 224 Y CB -0.102 38.403 38.460 0.076 0.000 0.983 224 Y HN 0.240 nan 8.280 nan 0.000 0.524 225 K N -1.316 119.253 120.400 0.282 0.000 2.057 225 K HA -0.255 4.065 4.320 -0.000 0.000 0.207 225 K C 1.997 178.700 176.600 0.173 0.000 1.049 225 K CA 1.744 58.142 56.287 0.185 0.000 0.931 225 K CB -0.608 31.991 32.500 0.166 0.000 0.714 225 K HN 0.451 nan 8.250 nan 0.000 0.440 226 W N 1.136 122.463 121.300 0.045 0.000 2.381 226 W HA -0.094 4.566 4.660 -0.000 0.000 0.301 226 W C 1.828 178.366 176.519 0.032 0.000 1.205 226 W CA 1.740 59.106 57.345 0.035 0.000 1.285 226 W CB -0.497 28.972 29.460 0.015 0.000 1.133 226 W HN 0.054 nan 8.180 nan 0.000 0.521 227 G N 0.084 109.017 108.800 0.222 0.000 2.498 227 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.219 227 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.219 227 G C 1.357 176.163 174.900 -0.158 0.000 1.119 227 G CA 0.959 46.046 45.100 -0.021 0.000 0.766 227 G HN 0.193 nan 8.290 nan 0.000 0.552 228 E N 0.786 120.928 120.200 -0.095 0.000 2.072 228 E HA 0.013 4.363 4.350 -0.000 0.000 0.190 228 E C 2.481 178.934 176.600 -0.245 0.000 0.982 228 E CA 0.536 56.868 56.400 -0.114 0.000 0.803 228 E CB -0.186 29.489 29.700 -0.040 0.000 0.755 228 E HN 0.357 nan 8.360 nan 0.000 0.453 229 K N -0.275 119.906 120.400 -0.366 0.000 2.103 229 K HA -0.152 4.168 4.320 -0.000 0.000 0.207 229 K C 0.931 177.020 176.600 -0.851 0.000 1.048 229 K CA 1.258 57.197 56.287 -0.581 0.000 0.930 229 K CB -0.124 31.985 32.500 -0.652 0.000 0.716 229 K HN 0.257 nan 8.250 nan 0.000 0.444 230 H N -1.833 116.844 119.070 -0.655 0.000 2.662 230 H HA 0.213 4.769 4.556 -0.000 0.000 0.268 230 H C 0.318 175.402 175.328 -0.407 0.000 1.152 230 H CA 0.247 55.922 56.048 -0.622 0.000 1.072 230 H CB 1.214 30.293 29.762 -1.137 0.000 1.660 230 H HN 0.304 nan 8.280 nan 0.000 0.584 231 G N 1.251 109.909 108.800 -0.236 0.000 2.323 231 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.292 231 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.292 231 G C -0.292 174.562 174.900 -0.078 0.000 1.040 231 G CA 0.467 45.495 45.100 -0.121 0.000 0.942 231 G HN 0.267 nan 8.290 nan 0.000 0.506 232 V N 0.432 120.278 119.914 -0.114 0.000 2.398 232 V HA 0.455 4.575 4.120 -0.000 0.000 0.286 232 V C 0.911 177.023 176.094 0.029 0.000 1.026 232 V CA -0.304 61.987 62.300 -0.016 0.000 0.868 232 V CB 1.770 33.601 31.823 0.013 0.000 0.982 232 V HN 0.337 nan 8.190 nan 0.000 0.443 233 T N 6.839 121.419 114.554 0.044 0.000 2.840 233 T HA 0.229 4.579 4.350 -0.000 0.000 0.276 233 T C 0.296 175.005 174.700 0.014 0.000 0.912 233 T CA 0.041 62.164 62.100 0.039 0.000 1.116 233 T CB -0.585 68.308 68.868 0.043 0.000 0.895 233 T HN 0.267 nan 8.240 nan 0.000 0.570 234 I N 3.291 123.830 120.570 -0.052 0.000 2.533 234 I HA 0.144 4.314 4.170 -0.000 0.000 0.284 234 I C 0.812 176.767 176.117 -0.270 0.000 1.109 234 I CA 0.286 61.461 61.300 -0.209 0.000 1.412 234 I CB 0.953 38.683 38.000 -0.450 0.000 1.396 234 I HN 0.484 nan 8.210 nan 0.000 0.543 235 S N 9.066 124.656 115.700 -0.183 0.000 2.620 235 S HA 0.574 5.044 4.470 -0.000 0.000 0.244 235 S C -2.792 171.739 174.600 -0.114 0.000 1.192 235 S CA -1.042 57.091 58.200 -0.112 0.000 1.148 235 S CB 1.228 64.408 63.200 -0.033 0.000 1.106 235 S HN 0.296 nan 8.310 nan 0.000 0.474 236 P HA 0.551 nan 4.420 nan 0.000 0.298 236 P C -0.900 176.304 177.300 -0.161 0.000 1.314 236 P CA -0.653 62.370 63.100 -0.127 0.000 0.854 236 P CB 0.917 32.553 31.700 -0.107 0.000 1.019 237 I N 3.020 123.490 120.570 -0.168 0.000 2.353 237 I HA 0.288 4.458 4.170 -0.000 0.000 0.293 237 I C 0.261 176.216 176.117 -0.269 0.000 0.992 237 I CA -0.888 60.279 61.300 -0.222 0.000 1.268 237 I CB 0.963 38.880 38.000 -0.139 0.000 1.387 237 I HN 0.161 nan 8.210 nan 0.000 0.478 238 L N 5.672 126.640 121.223 -0.426 0.000 2.289 238 L HA 0.569 4.909 4.340 -0.000 0.000 0.285 238 L C 0.582 177.293 176.870 -0.265 0.000 1.049 238 L CA 0.092 54.710 54.840 -0.370 0.000 0.804 238 L CB 1.393 43.140 42.059 -0.520 0.000 1.195 238 L HN 0.645 nan 8.230 nan 0.000 0.428 239 G N 4.685 113.369 108.800 -0.192 0.000 3.161 239 G HA2 0.360 4.320 3.960 -0.000 0.000 0.293 239 G HA3 0.360 4.320 3.960 -0.000 0.000 0.293 239 G C -0.185 174.598 174.900 -0.195 0.000 0.893 239 G CA -0.218 44.791 45.100 -0.152 0.000 1.756 239 G HN 0.862 nan 8.290 nan 0.000 0.549 240 C N 1.643 120.805 119.300 -0.230 0.000 2.255 240 C HA 0.851 5.311 4.460 -0.000 0.000 0.326 240 C C 1.145 176.024 174.990 -0.185 0.000 1.258 240 C CA -0.917 57.976 59.018 -0.208 0.000 1.676 240 C CB 0.457 28.078 27.740 -0.199 0.000 2.314 240 C HN 0.548 nan 8.230 nan 0.000 0.509 241 G N 2.651 111.369 108.800 -0.137 0.000 2.588 241 G HA2 0.448 4.408 3.960 -0.000 0.000 0.278 241 G HA3 0.448 4.408 3.960 -0.000 0.000 0.278 241 G C 0.593 175.483 174.900 -0.017 0.000 1.307 241 G CA -0.333 44.710 45.100 -0.095 0.000 1.016 241 G HN 0.794 nan 8.290 nan 0.000 0.503 242 S N -1.140 114.537 115.700 -0.040 0.000 2.483 242 S HA 0.186 4.656 4.470 -0.000 0.000 0.221 242 S C 1.014 175.533 174.600 -0.136 0.000 1.030 242 S CA -0.233 57.925 58.200 -0.070 0.000 0.925 242 S CB -0.130 62.974 63.200 -0.159 0.000 0.795 242 S HN 0.281 nan 8.310 nan 0.000 0.511 243 L N 2.166 123.300 121.223 -0.148 0.000 2.395 243 L HA 0.235 4.575 4.340 -0.000 0.000 0.269 243 L C -1.707 175.051 176.870 -0.186 0.000 1.133 243 L CA -2.006 52.672 54.840 -0.270 0.000 0.812 243 L CB 0.320 42.273 42.059 -0.176 0.000 1.125 243 L HN -0.069 nan 8.230 nan 0.000 0.452 244 P HA -0.240 nan 4.420 nan 0.000 0.217 244 P C 1.415 178.846 177.300 0.219 0.000 1.148 244 P CA 1.297 64.321 63.100 -0.127 0.000 0.834 244 P CB 0.063 31.729 31.700 -0.057 0.000 0.783 245 F N 0.368 120.391 119.950 0.122 0.000 2.216 245 F HA -0.117 4.410 4.527 -0.000 0.000 0.300 245 F C 1.590 177.471 175.800 0.136 0.000 1.085 245 F CA 1.408 59.519 58.000 0.186 0.000 1.326 245 F CB -0.123 39.035 39.000 0.264 0.000 1.027 245 F HN -0.175 nan 8.300 nan 0.000 0.497 246 R N -1.084 119.489 120.500 0.121 0.000 2.586 246 R HA 0.360 4.700 4.340 -0.000 0.000 0.336 246 R C 0.995 177.284 176.300 -0.019 0.000 1.060 246 R CA 0.545 56.641 56.100 -0.006 0.000 1.079 246 R CB 0.336 30.649 30.300 0.021 0.000 1.317 246 R HN 0.399 nan 8.270 nan 0.000 0.568 247 G N 0.202 109.031 108.800 0.049 0.000 3.033 247 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.196 247 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.196 247 G C 0.231 175.279 174.900 0.247 0.000 1.078 247 G CA -0.107 45.035 45.100 0.070 0.000 0.805 247 G HN 0.557 nan 8.290 nan 0.000 0.472 248 H N -1.431 117.670 119.070 0.052 0.000 2.973 248 H HA -0.187 4.369 4.556 -0.000 0.000 0.285 248 H C -0.361 174.953 175.328 -0.024 0.000 1.277 248 H CA 0.401 56.442 56.048 -0.013 0.000 1.137 248 H CB -1.402 28.387 29.762 0.043 0.000 1.326 248 H HN 0.593 nan 8.280 nan 0.000 0.398 249 F N 1.864 121.787 119.950 -0.045 0.000 2.464 249 F HA 0.439 4.966 4.527 -0.000 0.000 0.353 249 F C 0.082 175.740 175.800 -0.236 0.000 1.191 249 F CA 0.779 58.666 58.000 -0.188 0.000 1.147 249 F CB 0.510 39.349 39.000 -0.268 0.000 1.294 249 F HN 0.167 nan 8.300 nan 0.000 0.583 250 S N 3.380 118.716 115.700 -0.607 0.000 2.661 250 S HA 0.267 4.737 4.470 -0.000 0.000 0.285 250 S C 0.634 174.944 174.600 -0.484 0.000 1.138 250 S CA -0.616 57.314 58.200 -0.451 0.000 0.855 250 S CB 1.124 64.261 63.200 -0.106 0.000 1.136 250 S HN 0.664 nan 8.310 nan 0.000 0.484 251 E N 1.384 121.436 120.200 -0.245 0.000 2.482 251 E HA -0.056 4.294 4.350 -0.000 0.000 0.196 251 E C 0.698 177.222 176.600 -0.126 0.000 1.047 251 E CA 0.640 56.938 56.400 -0.169 0.000 0.869 251 E CB -0.061 29.616 29.700 -0.039 0.000 0.836 251 E HN 0.726 nan 8.360 nan 0.000 0.520 252 E N 0.761 120.887 120.200 -0.123 0.000 2.538 252 E HA 0.075 4.425 4.350 -0.000 0.000 0.207 252 E C 0.341 176.871 176.600 -0.118 0.000 1.002 252 E CA -0.153 56.194 56.400 -0.087 0.000 0.952 252 E CB -0.128 29.551 29.700 -0.035 0.000 1.031 252 E HN 0.073 nan 8.360 nan 0.000 0.476 253 N N 0.939 119.516 118.700 -0.204 0.000 2.205 253 N HA 0.103 4.843 4.740 -0.000 0.000 0.201 253 N C 1.462 176.854 175.510 -0.197 0.000 1.128 253 N CA -0.175 52.739 53.050 -0.226 0.000 0.867 253 N CB 0.413 38.701 38.487 -0.331 0.000 0.996 253 N HN 0.071 nan 8.380 nan 0.000 0.503 254 I N 1.875 122.326 120.570 -0.199 0.000 2.143 254 I HA -0.281 3.889 4.170 -0.000 0.000 0.245 254 I C 1.586 177.649 176.117 -0.089 0.000 1.068 254 I CA 1.514 62.711 61.300 -0.170 0.000 1.326 254 I CB -0.875 37.059 38.000 -0.110 0.000 1.028 254 I HN 0.057 nan 8.210 nan 0.000 0.412 255 D N 0.396 120.761 120.400 -0.057 0.000 2.178 255 D HA -0.174 4.466 4.640 -0.000 0.000 0.201 255 D C 2.119 178.408 176.300 -0.019 0.000 0.980 255 D CA 1.123 55.107 54.000 -0.026 0.000 0.842 255 D CB 0.047 40.836 40.800 -0.018 0.000 0.948 255 D HN 0.436 nan 8.370 nan 0.000 0.472 256 E N -0.502 119.678 120.200 -0.034 0.000 2.307 256 E HA 0.090 4.440 4.350 -0.000 0.000 0.195 256 E C 2.046 178.660 176.600 0.023 0.000 0.975 256 E CA -0.128 56.263 56.400 -0.014 0.000 0.878 256 E CB 0.393 30.072 29.700 -0.036 0.000 0.845 256 E HN 0.166 nan 8.360 nan 0.000 0.488 257 I N 0.619 121.207 120.570 0.030 0.000 2.193 257 I HA -0.185 3.985 4.170 -0.000 0.000 0.240 257 I C 2.092 178.339 176.117 0.217 0.000 1.084 257 I CA 1.198 62.602 61.300 0.173 0.000 1.365 257 I CB -0.658 37.350 38.000 0.014 0.000 1.064 257 I HN 0.191 nan 8.210 nan 0.000 0.410 258 L N 0.606 121.885 121.223 0.093 0.000 2.191 258 L HA -0.193 4.147 4.340 -0.000 0.000 0.212 258 L C 2.751 179.689 176.870 0.113 0.000 1.103 258 L CA 1.166 56.090 54.840 0.140 0.000 0.769 258 L CB -0.585 41.521 42.059 0.078 0.000 0.908 258 L HN 0.209 nan 8.230 nan 0.000 0.438 259 A N -0.410 122.445 122.820 0.057 0.000 1.872 259 A HA -0.145 4.175 4.320 -0.000 0.000 0.214 259 A C 2.346 179.924 177.584 -0.010 0.000 1.187 259 A CA 2.084 54.133 52.037 0.019 0.000 0.614 259 A CB -0.707 18.297 19.000 0.007 0.000 0.826 259 A HN 0.357 nan 8.150 nan 0.000 0.442 260 T N -1.270 113.244 114.554 -0.068 0.000 2.809 260 T HA -0.047 4.303 4.350 -0.000 0.000 0.260 260 T C 0.902 175.425 174.700 -0.296 0.000 1.039 260 T CA 1.364 63.303 62.100 -0.270 0.000 1.141 260 T CB -0.367 68.152 68.868 -0.581 0.000 0.869 260 T HN 0.504 nan 8.240 nan 0.000 0.437 261 Y N 1.596 121.993 120.300 0.161 0.000 2.683 261 Y HA 0.507 5.057 4.550 -0.000 0.000 0.297 261 Y C 1.111 177.126 175.900 0.191 0.000 1.147 261 Y CA -0.965 57.250 58.100 0.192 0.000 1.274 261 Y CB -0.360 38.281 38.460 0.302 0.000 1.143 261 Y HN 0.013 nan 8.280 nan 0.000 0.527 262 S N 0.288 116.105 115.700 0.196 0.000 2.558 262 S HA 0.307 4.777 4.470 -0.000 0.000 0.293 262 S C 1.270 175.921 174.600 0.084 0.000 1.292 262 S CA 1.354 59.627 58.200 0.122 0.000 1.063 262 S CB 0.155 63.366 63.200 0.018 0.000 0.831 262 S HN 0.934 nan 8.310 nan 0.000 0.499 263 G N 4.241 113.081 108.800 0.066 0.000 2.561 263 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.203 263 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.203 263 G C 0.094 175.165 174.900 0.285 0.000 1.101 263 G CA -0.190 44.978 45.100 0.113 0.000 0.711 263 G HN 0.656 nan 8.290 nan 0.000 0.511 264 I N 2.083 122.753 120.570 0.166 0.000 2.752 264 I HA 0.182 4.352 4.170 -0.000 0.000 0.287 264 I C 1.206 177.303 176.117 -0.033 0.000 1.188 264 I CA 0.847 62.106 61.300 -0.067 0.000 1.427 264 I CB 1.002 38.714 38.000 -0.479 0.000 1.365 264 I HN 0.288 nan 8.210 nan 0.000 0.585 265 K N 3.111 123.455 120.400 -0.094 0.000 2.440 265 K HA 0.204 4.524 4.320 -0.000 0.000 0.207 265 K C -0.198 176.398 176.600 -0.007 0.000 1.112 265 K CA 0.246 56.546 56.287 0.021 0.000 1.036 265 K CB 0.940 33.475 32.500 0.058 0.000 0.935 265 K HN 0.592 nan 8.250 nan 0.000 0.564 266 T N 0.961 115.395 114.554 -0.199 0.000 3.032 266 T HA 0.528 4.878 4.350 -0.000 0.000 0.312 266 T C -1.231 173.243 174.700 -0.376 0.000 1.078 266 T CA -0.507 61.520 62.100 -0.121 0.000 1.028 266 T CB 1.135 69.956 68.868 -0.078 0.000 1.091 266 T HN -0.135 nan 8.240 nan 0.000 0.457 267 F N 1.640 121.560 119.950 -0.050 0.000 2.532 267 F HA 0.501 5.028 4.527 -0.000 0.000 0.321 267 F C 1.040 176.690 175.800 -0.249 0.000 1.089 267 F CA -1.010 56.813 58.000 -0.296 0.000 0.926 267 F CB 1.801 40.420 39.000 -0.635 0.000 1.168 267 F HN 0.514 nan 8.300 nan 0.000 0.459 268 T N -0.157 114.288 114.554 -0.181 0.000 2.752 268 T HA 0.336 4.686 4.350 -0.000 0.000 0.295 268 T C -0.542 174.069 174.700 -0.149 0.000 0.923 268 T CA -0.235 61.822 62.100 -0.072 0.000 1.112 268 T CB -0.464 68.358 68.868 -0.076 0.000 0.884 268 T HN 0.342 nan 8.240 nan 0.000 0.525 269 F N 3.367 123.263 119.950 -0.091 0.000 2.406 269 F HA 0.241 4.768 4.527 -0.000 0.000 0.358 269 F C 1.433 177.256 175.800 0.039 0.000 1.161 269 F CA -0.995 57.024 58.000 0.031 0.000 1.185 269 F CB 0.359 39.409 39.000 0.083 0.000 1.421 269 F HN 0.560 nan 8.300 nan 0.000 0.576 270 Q N 0.873 120.750 119.800 0.128 0.000 2.397 270 Q HA 0.177 4.517 4.340 -0.000 0.000 0.193 270 Q C 1.206 177.302 176.000 0.159 0.000 1.083 270 Q CA -0.500 55.386 55.803 0.139 0.000 1.108 270 Q CB 0.624 29.372 28.738 0.018 0.000 1.172 270 Q HN 0.473 nan 8.270 nan 0.000 0.617 271 S N 0.262 116.084 115.700 0.204 0.000 2.383 271 S HA -0.167 4.303 4.470 -0.000 0.000 0.227 271 S C 1.857 176.635 174.600 0.296 0.000 1.026 271 S CA 1.114 59.490 58.200 0.293 0.000 0.981 271 S CB -0.423 62.970 63.200 0.321 0.000 0.818 271 S HN 0.662 nan 8.310 nan 0.000 0.472 272 A N 1.834 124.771 122.820 0.196 0.000 1.873 272 A HA -0.148 4.172 4.320 -0.000 0.000 0.218 272 A C 2.132 179.826 177.584 0.185 0.000 1.193 272 A CA 1.803 53.954 52.037 0.190 0.000 0.629 272 A CB -0.996 18.081 19.000 0.128 0.000 0.826 272 A HN 0.436 nan 8.150 nan 0.000 0.447 273 L N 0.201 121.436 121.223 0.019 0.000 1.990 273 L HA -0.219 4.121 4.340 -0.000 0.000 0.213 273 L C 2.540 179.453 176.870 0.072 0.000 1.072 273 L CA 2.417 57.201 54.840 -0.093 0.000 0.755 273 L CB -0.659 41.314 42.059 -0.143 0.000 0.889 273 L HN 0.420 nan 8.230 nan 0.000 0.432 274 R N -1.934 118.589 120.500 0.038 0.000 2.096 274 R HA -0.183 4.157 4.340 -0.000 0.000 0.235 274 R C 2.091 178.280 176.300 -0.185 0.000 1.127 274 R CA 1.932 57.962 56.100 -0.117 0.000 0.968 274 R CB -0.575 29.535 30.300 -0.316 0.000 0.861 274 R HN 0.420 nan 8.270 nan 0.000 0.440 275 Y N 0.077 120.447 120.300 0.117 0.000 2.500 275 Y HA 0.067 4.617 4.550 -0.000 0.000 0.284 275 Y C 1.896 177.866 175.900 0.117 0.000 1.118 275 Y CA 0.534 58.695 58.100 0.102 0.000 1.241 275 Y CB 0.336 38.846 38.460 0.084 0.000 1.171 275 Y HN -0.040 nan 8.280 nan 0.000 0.540 276 D N -1.715 118.868 120.400 0.305 0.000 2.369 276 D HA -0.046 4.594 4.640 -0.000 0.000 0.231 276 D C 1.801 178.223 176.300 0.203 0.000 0.967 276 D CA 0.839 54.982 54.000 0.239 0.000 0.905 276 D CB -0.319 40.621 40.800 0.234 0.000 1.044 276 D HN 0.436 nan 8.370 nan 0.000 0.487 277 H N 0.977 120.104 119.070 0.094 0.000 2.387 277 H HA 0.108 4.664 4.556 -0.000 0.000 0.299 277 H C 1.186 176.551 175.328 0.061 0.000 1.090 277 H CA 1.121 57.212 56.048 0.071 0.000 1.332 277 H CB 0.418 30.212 29.762 0.053 0.000 1.386 277 H HN 0.183 nan 8.280 nan 0.000 0.516 278 G N 0.053 108.964 108.800 0.185 0.000 2.515 278 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.686 278 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.686 278 G C 0.181 175.127 174.900 0.077 0.000 1.274 278 G CA -0.094 45.072 45.100 0.110 0.000 0.874 278 G HN 0.273 nan 8.290 nan 0.000 0.631 279 E N -0.263 119.964 120.200 0.045 0.000 2.051 279 E HA -0.144 4.206 4.350 -0.000 0.000 0.192 279 E C 2.196 178.829 176.600 0.055 0.000 0.991 279 E CA 1.493 57.909 56.400 0.027 0.000 0.799 279 E CB -0.021 29.688 29.700 0.016 0.000 0.748 279 E HN 0.463 nan 8.360 nan 0.000 0.449 280 E N 0.547 120.784 120.200 0.061 0.000 2.097 280 E HA -0.178 4.172 4.350 -0.000 0.000 0.196 280 E C 1.824 178.485 176.600 0.102 0.000 1.000 280 E CA 1.400 57.843 56.400 0.072 0.000 0.804 280 E CB -0.313 29.423 29.700 0.059 0.000 0.740 280 E HN 0.275 nan 8.360 nan 0.000 0.454 281 A N -0.636 122.241 122.820 0.095 0.000 1.968 281 A HA -0.096 4.224 4.320 -0.000 0.000 0.217 281 A C 2.352 180.024 177.584 0.146 0.000 1.169 281 A CA 1.814 53.912 52.037 0.101 0.000 0.638 281 A CB -0.603 18.460 19.000 0.105 0.000 0.812 281 A HN 0.302 nan 8.150 nan 0.000 0.446 282 T N 0.067 114.707 114.554 0.143 0.000 2.732 282 T HA -0.098 4.252 4.350 -0.000 0.000 0.261 282 T C 1.938 176.748 174.700 0.182 0.000 1.040 282 T CA 1.650 63.862 62.100 0.187 0.000 1.145 282 T CB -0.193 68.761 68.868 0.144 0.000 0.866 282 T HN 0.500 nan 8.240 nan 0.000 0.427 283 K N 0.390 120.860 120.400 0.116 0.000 2.074 283 K HA -0.199 4.121 4.320 -0.000 0.000 0.209 283 K C 2.328 178.993 176.600 0.109 0.000 1.048 283 K CA 1.397 57.733 56.287 0.081 0.000 0.926 283 K CB -0.266 32.268 32.500 0.057 0.000 0.713 283 K HN 0.398 nan 8.250 nan 0.000 0.444 284 H N 0.198 119.300 119.070 0.053 0.000 2.321 284 H HA -0.077 4.479 4.556 -0.000 0.000 0.300 284 H C 1.894 177.257 175.328 0.057 0.000 1.087 284 H CA 1.860 57.935 56.048 0.044 0.000 1.319 284 H CB 0.022 29.804 29.762 0.033 0.000 1.379 284 H HN 0.241 nan 8.280 nan 0.000 0.501 285 A N 0.533 123.511 122.820 0.263 0.000 1.877 285 A HA -0.125 4.195 4.320 -0.000 0.000 0.216 285 A C 2.932 180.671 177.584 0.260 0.000 1.186 285 A CA 1.746 53.911 52.037 0.213 0.000 0.620 285 A CB -1.028 18.072 19.000 0.168 0.000 0.822 285 A HN 0.286 nan 8.150 nan 0.000 0.443 286 V N 0.263 120.351 119.914 0.291 0.000 2.219 286 V HA -0.361 3.759 4.120 -0.000 0.000 0.248 286 V C 2.649 178.786 176.094 0.072 0.000 1.053 286 V CA 2.492 64.883 62.300 0.152 0.000 1.009 286 V CB -0.927 30.884 31.823 -0.019 0.000 0.636 286 V HN 0.569 nan 8.190 nan 0.000 0.445 287 R N -0.390 120.113 120.500 0.007 0.000 2.112 287 R HA -0.292 4.048 4.340 -0.000 0.000 0.242 287 R C 2.382 178.655 176.300 -0.045 0.000 1.137 287 R CA 2.300 58.372 56.100 -0.047 0.000 0.944 287 R CB -0.503 29.728 30.300 -0.115 0.000 0.857 287 R HN 0.664 nan 8.270 nan 0.000 0.435 288 E N 0.536 120.698 120.200 -0.064 0.000 2.051 288 E HA -0.200 4.150 4.350 -0.000 0.000 0.192 288 E C 2.009 178.624 176.600 0.025 0.000 0.991 288 E CA 0.880 57.256 56.400 -0.039 0.000 0.799 288 E CB -0.007 29.675 29.700 -0.031 0.000 0.748 288 E HN 0.095 nan 8.360 nan 0.000 0.449 289 L N 1.563 122.835 121.223 0.081 0.000 1.989 289 L HA -0.202 4.138 4.340 -0.000 0.000 0.211 289 L C 2.141 179.081 176.870 0.116 0.000 1.071 289 L CA 1.898 56.817 54.840 0.132 0.000 0.749 289 L CB -0.363 41.859 42.059 0.272 0.000 0.890 289 L HN -0.010 nan 8.230 nan 0.000 0.431 290 K N -0.657 119.800 120.400 0.094 0.000 2.020 290 K HA -0.271 4.049 4.320 -0.000 0.000 0.212 290 K C 2.118 178.747 176.600 0.049 0.000 1.050 290 K CA 1.957 58.284 56.287 0.066 0.000 0.929 290 K CB -0.306 32.216 32.500 0.037 0.000 0.714 290 K HN 0.467 nan 8.250 nan 0.000 0.443 291 E N 0.925 121.143 120.200 0.029 0.000 2.130 291 E HA -0.222 4.128 4.350 -0.000 0.000 0.196 291 E C 1.251 177.868 176.600 0.029 0.000 0.998 291 E CA 1.465 57.875 56.400 0.017 0.000 0.806 291 E CB 0.200 29.898 29.700 -0.003 0.000 0.738 291 E HN 0.200 nan 8.360 nan 0.000 0.459 292 K N -0.300 120.124 120.400 0.041 0.000 2.353 292 K HA 0.055 4.375 4.320 -0.000 0.000 0.195 292 K C 1.847 178.488 176.600 0.069 0.000 1.031 292 K CA -0.138 56.176 56.287 0.045 0.000 1.079 292 K CB 0.261 32.782 32.500 0.034 0.000 0.857 292 K HN 0.096 nan 8.250 nan 0.000 0.535 293 I N 2.070 122.695 120.570 0.092 0.000 2.286 293 I HA -0.242 3.928 4.170 -0.000 0.000 0.248 293 I C 2.068 178.249 176.117 0.106 0.000 1.115 293 I CA 1.149 62.527 61.300 0.130 0.000 1.392 293 I CB -0.234 37.862 38.000 0.160 0.000 1.065 293 I HN 0.124 nan 8.210 nan 0.000 0.418 294 A N -0.381 122.484 122.820 0.076 0.000 2.038 294 A HA -0.382 3.938 4.320 -0.000 0.000 0.224 294 A C 2.199 179.813 177.584 0.051 0.000 1.190 294 A CA 2.457 54.528 52.037 0.057 0.000 0.668 294 A CB -0.937 18.087 19.000 0.041 0.000 0.820 294 A HN 0.712 nan 8.150 nan 0.000 0.474 295 Q N -0.742 119.091 119.800 0.054 0.000 2.435 295 Q HA 0.057 4.397 4.340 -0.000 0.000 0.207 295 Q C 0.875 176.901 176.000 0.043 0.000 0.956 295 Q CA 0.505 56.331 55.803 0.039 0.000 0.917 295 Q CB 0.056 28.817 28.738 0.037 0.000 0.997 295 Q HN 0.502 nan 8.270 nan 0.000 0.497 296 S N 1.652 117.397 115.700 0.076 0.000 3.065 296 S HA 0.072 4.542 4.470 -0.000 0.000 0.311 296 S C -0.616 173.992 174.600 0.013 0.000 1.204 296 S CA -0.459 57.792 58.200 0.085 0.000 1.040 296 S CB -0.144 63.161 63.200 0.175 0.000 1.436 296 S HN -0.027 nan 8.310 nan 0.000 0.532 297 K N 4.538 124.906 120.400 -0.054 0.000 2.123 297 K HA 0.536 4.856 4.320 -0.000 0.000 0.259 297 K C -2.676 173.751 176.600 -0.288 0.000 0.960 297 K CA -3.219 52.975 56.287 -0.154 0.000 0.872 297 K CB 0.016 32.445 32.500 -0.119 0.000 1.079 297 K HN 0.255 nan 8.250 nan 0.000 0.440 298 P HA 0.086 nan 4.420 nan 0.000 0.265 298 P C 0.248 177.335 177.300 -0.354 0.000 1.187 298 P CA 0.145 62.834 63.100 -0.684 0.000 0.766 298 P CB 0.558 31.710 31.700 -0.913 0.000 0.820 299 R N 1.312 121.632 120.500 -0.299 0.000 2.246 299 R HA 0.012 4.352 4.340 -0.000 0.000 0.199 299 R C -0.031 175.983 176.300 -0.477 0.000 0.984 299 R CA -0.053 55.806 56.100 -0.401 0.000 1.015 299 R CB -0.421 29.567 30.300 -0.520 0.000 0.930 299 R HN 0.484 nan 8.270 nan 0.000 0.475 300 N N 0.752 119.277 118.700 -0.291 0.000 2.586 300 N HA -0.190 4.550 4.740 -0.000 0.000 0.282 300 N C -1.371 174.029 175.510 -0.184 0.000 1.171 300 N CA 0.702 53.653 53.050 -0.165 0.000 0.733 300 N CB -1.005 37.402 38.487 -0.134 0.000 0.910 300 N HN 0.043 nan 8.380 nan 0.000 0.548 301 F N 0.348 120.293 119.950 -0.008 0.000 2.399 301 F HA 0.222 4.749 4.527 -0.000 0.000 0.342 301 F C 1.566 177.359 175.800 -0.012 0.000 1.106 301 F CA -0.484 57.509 58.000 -0.011 0.000 1.196 301 F CB 0.696 39.690 39.000 -0.010 0.000 1.163 301 F HN 0.239 nan 8.300 nan 0.000 0.547 302 S N 2.069 117.885 115.700 0.193 0.000 2.585 302 S HA 0.092 4.562 4.470 -0.000 0.000 0.273 302 S C 0.915 175.568 174.600 0.089 0.000 1.339 302 S CA -0.763 57.499 58.200 0.103 0.000 1.028 302 S CB 0.977 64.218 63.200 0.068 0.000 0.906 302 S HN 0.639 nan 8.310 nan 0.000 0.528 303 E N 1.830 122.057 120.200 0.045 0.000 2.268 303 E HA -0.129 4.221 4.350 -0.000 0.000 0.195 303 E C 1.663 178.253 176.600 -0.017 0.000 0.995 303 E CA 1.141 57.550 56.400 0.015 0.000 0.836 303 E CB -0.269 29.436 29.700 0.009 0.000 0.763 303 E HN 0.824 nan 8.360 nan 0.000 0.491 304 E N 0.967 121.160 120.200 -0.012 0.000 2.077 304 E HA -0.169 4.181 4.350 -0.000 0.000 0.193 304 E C 1.714 178.263 176.600 -0.084 0.000 0.989 304 E CA 1.317 57.693 56.400 -0.040 0.000 0.800 304 E CB -0.072 29.615 29.700 -0.021 0.000 0.746 304 E HN 0.183 nan 8.360 nan 0.000 0.452 305 D N 0.627 121.000 120.400 -0.046 0.000 2.078 305 D HA -0.143 4.497 4.640 -0.000 0.000 0.193 305 D C 1.705 177.871 176.300 -0.225 0.000 0.990 305 D CA 1.036 54.978 54.000 -0.096 0.000 0.827 305 D CB -0.227 40.627 40.800 0.089 0.000 0.975 305 D HN 0.064 nan 8.370 nan 0.000 0.451 306 K N 0.240 120.528 120.400 -0.186 0.000 2.077 306 K HA -0.197 4.123 4.320 -0.000 0.000 0.213 306 K C 1.583 178.063 176.600 -0.199 0.000 1.051 306 K CA 1.644 57.803 56.287 -0.214 0.000 0.929 306 K CB -0.138 32.297 32.500 -0.109 0.000 0.715 306 K HN 0.137 nan 8.250 nan 0.000 0.451 307 D N 0.468 120.770 120.400 -0.164 0.000 2.149 307 D HA -0.113 4.527 4.640 -0.000 0.000 0.201 307 D C 1.743 177.895 176.300 -0.246 0.000 0.972 307 D CA 0.500 54.406 54.000 -0.157 0.000 0.835 307 D CB -0.142 40.594 40.800 -0.108 0.000 0.966 307 D HN -0.003 nan 8.370 nan 0.000 0.476 308 L N 0.252 121.266 121.223 -0.348 0.000 2.046 308 L HA -0.071 4.268 4.340 -0.000 0.000 0.208 308 L C 2.116 178.486 176.870 -0.832 0.000 1.077 308 L CA 1.496 55.947 54.840 -0.648 0.000 0.747 308 L CB -0.378 41.282 42.059 -0.666 0.000 0.896 308 L HN 0.018 nan 8.230 nan 0.000 0.432 309 M N -1.200 118.096 119.600 -0.507 0.000 2.159 309 M HA -0.249 4.231 4.480 -0.000 0.000 0.263 309 M C 2.206 178.413 176.300 -0.155 0.000 1.063 309 M CA 1.682 56.812 55.300 -0.283 0.000 1.110 309 M CB -0.408 32.033 32.600 -0.266 0.000 1.374 309 M HN 0.183 nan 8.290 nan 0.000 0.411 310 K N -0.036 120.257 120.400 -0.178 0.000 2.026 310 K HA -0.136 4.184 4.320 -0.000 0.000 0.208 310 K C 1.937 178.502 176.600 -0.057 0.000 1.048 310 K CA 1.042 57.266 56.287 -0.104 0.000 0.929 310 K CB -0.106 32.333 32.500 -0.103 0.000 0.713 310 K HN 0.227 nan 8.250 nan 0.000 0.439 311 E N 0.621 120.760 120.200 -0.103 0.000 2.049 311 E HA -0.190 4.159 4.350 -0.000 0.000 0.198 311 E C 2.016 178.707 176.600 0.151 0.000 1.007 311 E CA 1.251 57.648 56.400 -0.004 0.000 0.809 311 E CB -0.394 29.278 29.700 -0.047 0.000 0.749 311 E HN 0.180 nan 8.360 nan 0.000 0.450 312 F N 1.032 120.966 119.950 -0.026 0.000 2.025 312 F HA -0.171 4.356 4.527 -0.000 0.000 0.297 312 F C 2.624 178.432 175.800 0.012 0.000 1.132 312 F CA 0.462 58.458 58.000 -0.006 0.000 1.191 312 F CB -1.364 37.612 39.000 -0.040 0.000 0.963 312 F HN -0.018 nan 8.300 nan 0.000 0.481 313 I N -0.057 120.631 120.570 0.197 0.000 2.143 313 I HA -0.345 3.825 4.170 -0.000 0.000 0.245 313 I C 2.694 178.853 176.117 0.070 0.000 1.068 313 I CA 1.765 63.115 61.300 0.084 0.000 1.326 313 I CB -1.177 36.819 38.000 -0.005 0.000 1.028 313 I HN 0.226 nan 8.210 nan 0.000 0.412 314 G N 0.898 109.735 108.800 0.062 0.000 2.421 314 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.216 314 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.216 314 G C 1.645 176.581 174.900 0.061 0.000 1.171 314 G CA 0.770 45.899 45.100 0.048 0.000 0.775 314 G HN 0.344 nan 8.290 nan 0.000 0.543 315 I N 0.482 121.115 120.570 0.105 0.000 2.163 315 I HA -0.229 3.941 4.170 -0.000 0.000 0.243 315 I C 2.893 179.064 176.117 0.089 0.000 1.085 315 I CA 0.926 62.282 61.300 0.093 0.000 1.347 315 I CB -0.410 37.710 38.000 0.200 0.000 1.044 315 I HN 0.204 nan 8.210 nan 0.000 0.408 316 C N -0.002 119.391 119.300 0.156 0.000 2.432 316 C HA -0.125 4.335 4.460 -0.000 0.000 0.277 316 C C 3.153 178.275 174.990 0.219 0.000 1.249 316 C CA 1.157 60.297 59.018 0.204 0.000 1.725 316 C CB -1.064 26.772 27.740 0.159 0.000 2.028 316 C HN 0.483 nan 8.230 nan 0.000 0.477 317 S N 0.514 116.317 115.700 0.171 0.000 2.400 317 S HA -0.215 4.255 4.470 -0.000 0.000 0.232 317 S C 1.851 176.580 174.600 0.216 0.000 1.025 317 S CA 1.431 59.768 58.200 0.227 0.000 0.993 317 S CB -0.365 62.958 63.200 0.206 0.000 0.808 317 S HN 0.685 nan 8.310 nan 0.000 0.478 318 K N 0.998 121.447 120.400 0.081 0.000 1.978 318 K HA -0.215 4.105 4.320 -0.000 0.000 0.214 318 K C 1.993 178.592 176.600 -0.002 0.000 1.049 318 K CA 1.737 58.005 56.287 -0.031 0.000 0.939 318 K CB -0.323 32.051 32.500 -0.209 0.000 0.721 318 K HN 0.423 nan 8.250 nan 0.000 0.441 319 H N -0.969 118.199 119.070 0.162 0.000 2.293 319 H HA -0.168 4.388 4.556 -0.000 0.000 0.300 319 H C 2.155 177.598 175.328 0.192 0.000 1.082 319 H CA 1.791 57.930 56.048 0.152 0.000 1.308 319 H CB -0.874 28.967 29.762 0.131 0.000 1.375 319 H HN 0.365 nan 8.280 nan 0.000 0.495 320 Y N 1.728 122.184 120.300 0.260 0.000 2.040 320 Y HA -0.276 4.274 4.550 -0.000 0.000 0.275 320 Y C 2.649 178.694 175.900 0.241 0.000 1.171 320 Y CA 1.627 59.877 58.100 0.250 0.000 1.123 320 Y CB -0.763 37.833 38.460 0.228 0.000 0.963 320 Y HN 0.016 nan 8.280 nan 0.000 0.493 321 L N -0.062 121.292 121.223 0.217 0.000 2.083 321 L HA -0.257 4.083 4.340 -0.000 0.000 0.209 321 L C 2.736 179.677 176.870 0.118 0.000 1.083 321 L CA 1.652 56.564 54.840 0.120 0.000 0.752 321 L CB -0.701 41.441 42.059 0.137 0.000 0.899 321 L HN 0.362 nan 8.230 nan 0.000 0.433 322 Q N -0.310 119.559 119.800 0.114 0.000 2.045 322 Q HA -0.234 4.106 4.340 -0.000 0.000 0.206 322 Q C 2.099 178.146 176.000 0.079 0.000 0.991 322 Q CA 2.560 58.424 55.803 0.101 0.000 0.851 322 Q CB -0.050 28.756 28.738 0.112 0.000 0.911 322 Q HN 0.484 nan 8.270 nan 0.000 0.418 323 T N 0.566 115.159 114.554 0.065 0.000 2.777 323 T HA -0.134 4.216 4.350 -0.000 0.000 0.266 323 T C 1.343 176.023 174.700 -0.032 0.000 1.040 323 T CA 1.129 63.243 62.100 0.024 0.000 1.141 323 T CB -0.515 68.379 68.868 0.043 0.000 0.868 323 T HN 0.339 nan 8.240 nan 0.000 0.444 324 F N 1.945 121.741 119.950 -0.258 0.000 2.063 324 F HA -0.185 4.342 4.527 -0.000 0.000 0.298 324 F C 1.890 177.586 175.800 -0.172 0.000 1.109 324 F CA 1.446 59.270 58.000 -0.294 0.000 1.212 324 F CB -0.488 38.250 39.000 -0.435 0.000 0.973 324 F HN 0.034 nan 8.300 nan 0.000 0.480 325 L N -0.133 121.152 121.223 0.103 0.000 2.191 325 L HA -0.205 4.135 4.340 -0.000 0.000 0.212 325 L C 2.414 179.240 176.870 -0.074 0.000 1.103 325 L CA 1.375 56.233 54.840 0.030 0.000 0.769 325 L CB -0.609 41.543 42.059 0.156 0.000 0.908 325 L HN 0.110 nan 8.230 nan 0.000 0.438 326 K N -0.361 120.002 120.400 -0.062 0.000 2.025 326 K HA -0.139 4.181 4.320 -0.000 0.000 0.207 326 K C 2.018 178.549 176.600 -0.115 0.000 1.049 326 K CA 1.681 57.931 56.287 -0.062 0.000 0.933 326 K CB -0.060 32.421 32.500 -0.031 0.000 0.714 326 K HN 0.291 nan 8.250 nan 0.000 0.438 327 V N -0.887 118.919 119.914 -0.179 0.000 2.649 327 V HA -0.093 4.027 4.120 -0.000 0.000 0.248 327 V C 1.994 177.947 176.094 -0.236 0.000 1.054 327 V CA 0.894 63.075 62.300 -0.198 0.000 1.073 327 V CB -0.527 31.166 31.823 -0.217 0.000 0.699 327 V HN 0.166 nan 8.190 nan 0.000 0.463 328 I N 2.243 122.581 120.570 -0.387 0.000 2.185 328 I HA -0.285 3.885 4.170 -0.000 0.000 0.246 328 I C 2.035 178.032 176.117 -0.201 0.000 1.088 328 I CA 2.128 63.159 61.300 -0.448 0.000 1.347 328 I CB -0.712 36.762 38.000 -0.876 0.000 1.041 328 I HN 0.310 nan 8.210 nan 0.000 0.415 329 D N -0.224 120.102 120.400 -0.123 0.000 2.149 329 D HA -0.150 4.490 4.640 -0.000 0.000 0.198 329 D C 2.183 178.505 176.300 0.036 0.000 0.990 329 D CA 1.954 55.947 54.000 -0.011 0.000 0.839 329 D CB -0.267 40.535 40.800 0.004 0.000 0.948 329 D HN 0.429 nan 8.370 nan 0.000 0.460 330 T N 0.164 114.716 114.554 -0.004 0.000 2.770 330 T HA -0.055 4.295 4.350 -0.000 0.000 0.263 330 T C 2.326 177.080 174.700 0.090 0.000 1.039 330 T CA 0.557 62.683 62.100 0.043 0.000 1.142 330 T CB -0.450 68.400 68.868 -0.031 0.000 0.868 330 T HN -0.055 nan 8.240 nan 0.000 0.435 331 V N 1.718 121.625 119.914 -0.011 0.000 2.282 331 V HA -0.234 3.886 4.120 -0.000 0.000 0.249 331 V C 2.800 178.932 176.094 0.063 0.000 1.057 331 V CA 2.000 64.286 62.300 -0.024 0.000 1.032 331 V CB -0.954 30.811 31.823 -0.097 0.000 0.645 331 V HN 0.444 nan 8.190 nan 0.000 0.447 332 S N -0.847 114.902 115.700 0.082 0.000 2.374 332 S HA -0.251 4.219 4.470 -0.000 0.000 0.227 332 S C 1.756 176.435 174.600 0.132 0.000 1.037 332 S CA 2.213 60.480 58.200 0.113 0.000 1.024 332 S CB -0.482 62.784 63.200 0.111 0.000 0.861 332 S HN 0.627 nan 8.310 nan 0.000 0.456 333 F N 2.169 122.155 119.950 0.061 0.000 2.069 333 F HA -0.149 4.378 4.527 -0.000 0.000 0.298 333 F C 2.088 178.020 175.800 0.219 0.000 1.113 333 F CA 1.397 59.464 58.000 0.111 0.000 1.214 333 F CB -0.629 38.423 39.000 0.087 0.000 0.978 333 F HN -0.003 nan 8.300 nan 0.000 0.474 334 V N 0.445 120.449 119.914 0.150 0.000 2.343 334 V HA -0.292 3.828 4.120 -0.000 0.000 0.247 334 V C 2.566 178.744 176.094 0.140 0.000 1.051 334 V CA 1.979 64.353 62.300 0.123 0.000 1.036 334 V CB -1.327 30.550 31.823 0.090 0.000 0.654 334 V HN 0.598 nan 8.190 nan 0.000 0.451 335 S N -0.720 115.020 115.700 0.066 0.000 2.547 335 S HA -0.166 4.304 4.470 -0.000 0.000 0.235 335 S C 1.396 175.990 174.600 -0.009 0.000 0.980 335 S CA 1.056 59.289 58.200 0.055 0.000 0.941 335 S CB -0.492 62.759 63.200 0.085 0.000 0.763 335 S HN 0.603 nan 8.310 nan 0.000 0.532 336 D N 0.579 120.900 120.400 -0.131 0.000 2.348 336 D HA 0.054 4.694 4.640 -0.000 0.000 0.216 336 D C 0.535 176.563 176.300 -0.453 0.000 0.970 336 D CA 0.780 54.571 54.000 -0.348 0.000 0.889 336 D CB -0.125 40.301 40.800 -0.623 0.000 0.912 336 D HN 0.562 nan 8.370 nan 0.000 0.524 337 F N 0.235 120.104 119.950 -0.135 0.000 2.720 337 F HA 0.149 4.676 4.527 -0.000 0.000 0.301 337 F C 1.024 176.792 175.800 -0.054 0.000 1.103 337 F CA -0.485 57.454 58.000 -0.101 0.000 1.291 337 F CB 0.495 39.428 39.000 -0.113 0.000 1.086 337 F HN -0.230 nan 8.300 nan 0.000 0.592 338 I N 4.619 125.257 120.570 0.113 0.000 2.741 338 I HA -0.014 4.156 4.170 -0.000 0.000 0.288 338 I C -1.829 174.314 176.117 0.042 0.000 1.192 338 I CA -1.850 59.494 61.300 0.073 0.000 1.426 338 I CB -0.483 37.554 38.000 0.062 0.000 1.367 338 I HN -0.108 nan 8.210 nan 0.000 0.563 339 P HA 0.119 nan 4.420 nan 0.000 0.269 339 P C -0.888 176.430 177.300 0.030 0.000 1.215 339 P CA -0.403 62.710 63.100 0.021 0.000 0.780 339 P CB 0.456 32.172 31.700 0.025 0.000 0.898 340 K N 1.078 121.490 120.400 0.021 0.000 2.425 340 K HA 0.362 4.682 4.320 -0.000 0.000 0.259 340 K C -0.009 176.651 176.600 0.100 0.000 0.978 340 K CA -0.724 55.593 56.287 0.051 0.000 0.883 340 K CB 0.872 33.392 32.500 0.034 0.000 1.110 340 K HN 0.159 nan 8.250 nan 0.000 0.436 341 N N 2.885 121.661 118.700 0.126 0.000 2.362 341 N HA 0.042 4.782 4.740 -0.000 0.000 0.204 341 N C -0.585 175.037 175.510 0.186 0.000 1.166 341 N CA 0.050 53.224 53.050 0.207 0.000 0.831 341 N CB 0.287 38.828 38.487 0.090 0.000 1.008 341 N HN 0.424 nan 8.380 nan 0.000 0.472 342 R N 0.455 121.056 120.500 0.168 0.000 2.725 342 R HA 0.177 4.517 4.340 -0.000 0.000 0.277 342 R C -0.797 175.596 176.300 0.155 0.000 0.987 342 R CA -0.613 55.543 56.100 0.093 0.000 0.901 342 R CB 1.092 31.404 30.300 0.020 0.000 1.207 342 R HN -0.036 nan 8.270 nan 0.000 0.463 343 D N 2.674 123.155 120.400 0.136 0.000 2.817 343 D HA -0.034 4.606 4.640 -0.000 0.000 0.226 343 D C 0.570 176.902 176.300 0.053 0.000 1.080 343 D CA 0.544 54.612 54.000 0.114 0.000 1.114 343 D CB 0.070 40.921 40.800 0.085 0.000 1.159 343 D HN -0.046 nan 8.370 nan 0.000 0.449 344 R N 0.138 120.668 120.500 0.050 0.000 2.862 344 R HA 0.003 4.343 4.340 -0.000 0.000 0.267 344 R C 1.682 177.999 176.300 0.029 0.000 0.995 344 R CA -0.124 55.994 56.100 0.030 0.000 1.140 344 R CB 0.421 30.741 30.300 0.033 0.000 1.031 344 R HN 0.285 nan 8.270 nan 0.000 0.459 345 L N 0.616 121.854 121.223 0.026 0.000 2.341 345 L HA -0.059 4.281 4.340 -0.000 0.000 0.214 345 L C 1.472 178.354 176.870 0.020 0.000 1.115 345 L CA 0.527 55.383 54.840 0.027 0.000 0.820 345 L CB -0.288 41.789 42.059 0.031 0.000 0.944 345 L HN 0.793 nan 8.230 nan 0.000 0.452 356 R N 0.034 120.523 120.500 -0.018 0.000 2.691 356 R HA 0.983 5.323 4.340 -0.000 0.000 0.259 356 R C -0.021 176.202 176.300 -0.128 0.000 1.048 356 R CA -0.002 56.066 56.100 -0.054 0.000 1.086 356 R CB 0.765 31.037 30.300 -0.046 0.000 1.166 356 R HN 1.147 nan 8.270 nan 0.000 0.526 357 E N -1.058 118.965 120.200 -0.295 0.000 2.390 357 E HA 0.673 5.023 4.350 -0.000 0.000 0.277 357 E C -1.724 174.494 176.600 -0.637 0.000 0.939 357 E CA -0.464 55.694 56.400 -0.403 0.000 0.769 357 E CB 2.311 31.806 29.700 -0.342 0.000 1.251 357 E HN 0.831 nan 8.360 nan 0.000 0.450 358 V N 1.152 120.856 119.914 -0.350 0.000 2.604 358 V HA 0.832 4.952 4.120 -0.000 0.000 0.305 358 V C 0.031 176.087 176.094 -0.063 0.000 1.043 358 V CA -0.368 61.800 62.300 -0.221 0.000 0.888 358 V CB 1.630 33.403 31.823 -0.085 0.000 0.995 358 V HN 0.730 nan 8.190 nan 0.000 0.429 359 A N 3.915 126.795 122.820 0.100 0.000 2.425 359 A HA 0.513 4.833 4.320 -0.000 0.000 0.249 359 A C 0.321 177.954 177.584 0.082 0.000 1.084 359 A CA -0.328 51.796 52.037 0.146 0.000 0.781 359 A CB 0.077 19.223 19.000 0.242 0.000 1.019 359 A HN 0.900 nan 8.150 nan 0.000 0.490 360 N N 1.666 120.406 118.700 0.066 0.000 2.426 360 N HA 0.365 5.105 4.740 -0.000 0.000 0.257 360 N C 0.073 175.676 175.510 0.155 0.000 1.002 360 N CA -0.330 52.777 53.050 0.096 0.000 0.942 360 N CB 1.194 39.740 38.487 0.097 0.000 1.112 360 N HN 0.520 nan 8.380 nan 0.000 0.499 361 L N 1.204 122.499 121.223 0.120 0.000 2.642 361 L HA 0.409 4.749 4.340 -0.000 0.000 0.233 361 L C 1.296 178.214 176.870 0.081 0.000 1.077 361 L CA 0.151 55.065 54.840 0.123 0.000 0.879 361 L CB -0.334 41.782 42.059 0.096 0.000 1.151 361 L HN 0.204 nan 8.230 nan 0.000 0.495 362 D N 2.069 122.506 120.400 0.062 0.000 2.149 362 D HA -0.179 4.461 4.640 -0.000 0.000 0.198 362 D C 1.538 177.851 176.300 0.022 0.000 0.990 362 D CA 1.795 55.817 54.000 0.036 0.000 0.839 362 D CB -0.250 40.569 40.800 0.031 0.000 0.948 362 D HN 0.618 nan 8.370 nan 0.000 0.460 363 N N 0.365 119.082 118.700 0.028 0.000 2.512 363 N HA -0.104 4.636 4.740 -0.000 0.000 0.183 363 N C 1.525 176.993 175.510 -0.070 0.000 1.073 363 N CA 0.814 53.857 53.050 -0.012 0.000 0.911 363 N CB -0.322 38.169 38.487 0.005 0.000 0.964 363 N HN 0.282 nan 8.380 nan 0.000 0.447 364 V N -4.536 115.348 119.914 -0.050 0.000 3.645 364 V HA 0.535 4.655 4.120 -0.000 0.000 0.275 364 V C 1.984 178.056 176.094 -0.037 0.000 1.356 364 V CA 0.267 62.512 62.300 -0.092 0.000 1.051 364 V CB -0.372 31.383 31.823 -0.113 0.000 0.828 364 V HN 0.229 nan 8.190 nan 0.000 0.441 365 A N 1.115 123.930 122.820 -0.009 0.000 2.015 365 A HA -0.167 4.153 4.320 -0.000 0.000 0.219 365 A C 1.664 179.240 177.584 -0.014 0.000 1.163 365 A CA 1.910 53.945 52.037 -0.003 0.000 0.646 365 A CB -0.752 18.253 19.000 0.009 0.000 0.806 365 A HN 0.560 nan 8.150 nan 0.000 0.448 366 D N -0.203 120.182 120.400 -0.025 0.000 2.265 366 D HA -0.103 4.537 4.640 -0.000 0.000 0.208 366 D C 1.599 177.879 176.300 -0.035 0.000 0.977 366 D CA 1.135 55.118 54.000 -0.029 0.000 0.871 366 D CB -0.094 40.684 40.800 -0.037 0.000 0.925 366 D HN 0.556 nan 8.370 nan 0.000 0.485 367 L N -0.357 120.840 121.223 -0.043 0.000 2.408 367 L HA 0.145 4.485 4.340 -0.000 0.000 0.215 367 L C 0.529 177.378 176.870 -0.035 0.000 1.081 367 L CA -0.144 54.666 54.840 -0.049 0.000 0.840 367 L CB -0.305 41.713 42.059 -0.069 0.000 1.002 367 L HN -0.108 nan 8.230 nan 0.000 0.468 368 V N -1.522 118.380 119.914 -0.020 0.000 2.614 368 V HA 0.177 4.297 4.120 -0.000 0.000 0.291 368 V C 0.735 176.828 176.094 -0.002 0.000 1.049 368 V CA -0.472 61.825 62.300 -0.005 0.000 1.038 368 V CB 0.906 32.735 31.823 0.010 0.000 0.980 368 V HN 0.211 nan 8.190 nan 0.000 0.481 369 K N 1.396 121.798 120.400 0.003 0.000 2.437 369 K HA 0.200 4.520 4.320 -0.000 0.000 0.205 369 K C -0.088 176.522 176.600 0.016 0.000 1.026 369 K CA -0.068 56.222 56.287 0.006 0.000 1.153 369 K CB 0.267 32.768 32.500 0.001 0.000 0.863 369 K HN 0.867 nan 8.250 nan 0.000 0.502 370 D N 0.898 121.312 120.400 0.023 0.000 2.344 370 D HA 0.036 4.676 4.640 -0.000 0.000 0.239 370 D C 0.427 176.737 176.300 0.017 0.000 1.064 370 D CA 0.015 54.028 54.000 0.023 0.000 0.829 370 D CB 2.023 42.844 40.800 0.035 0.000 1.129 370 D HN -0.129 nan 8.370 nan 0.000 0.506 371 E N 2.469 122.676 120.200 0.012 0.000 2.086 371 E HA -0.083 4.267 4.350 -0.000 0.000 0.190 371 E C 1.720 178.328 176.600 0.012 0.000 0.975 371 E CA 0.566 56.972 56.400 0.011 0.000 0.813 371 E CB -0.161 29.544 29.700 0.008 0.000 0.768 371 E HN 0.324 nan 8.360 nan 0.000 0.457 372 V N 0.434 120.355 119.914 0.012 0.000 2.407 372 V HA -0.162 3.958 4.120 -0.000 0.000 0.248 372 V C 2.201 178.303 176.094 0.014 0.000 1.055 372 V CA 1.767 64.075 62.300 0.013 0.000 1.049 372 V CB -0.294 31.536 31.823 0.012 0.000 0.662 372 V HN 0.428 nan 8.190 nan 0.000 0.455 373 L N 0.565 121.798 121.223 0.016 0.000 2.093 373 L HA -0.105 4.235 4.340 -0.000 0.000 0.208 373 L C 2.367 179.245 176.870 0.013 0.000 1.085 373 L CA 2.493 57.342 54.840 0.015 0.000 0.755 373 L CB -0.999 41.077 42.059 0.028 0.000 0.904 373 L HN 0.334 nan 8.230 nan 0.000 0.435 374 K N -1.360 119.049 120.400 0.015 0.000 2.155 374 K HA -0.121 4.199 4.320 -0.000 0.000 0.203 374 K C 1.909 178.518 176.600 0.015 0.000 1.052 374 K CA 1.038 57.333 56.287 0.014 0.000 0.948 374 K CB 0.070 32.576 32.500 0.011 0.000 0.728 374 K HN 0.402 nan 8.250 nan 0.000 0.448 375 Q N 0.412 120.220 119.800 0.015 0.000 2.354 375 Q HA -0.097 4.243 4.340 -0.000 0.000 0.203 375 Q C 1.576 177.587 176.000 0.018 0.000 0.933 375 Q CA 1.025 56.837 55.803 0.016 0.000 0.901 375 Q CB 0.455 29.202 28.738 0.015 0.000 1.007 375 Q HN 0.614 nan 8.270 nan 0.000 0.495 376 E N -0.127 120.083 120.200 0.017 0.000 2.371 376 E HA -0.036 4.314 4.350 -0.000 0.000 0.194 376 E C 1.771 178.382 176.600 0.019 0.000 1.012 376 E CA 0.193 56.604 56.400 0.018 0.000 0.860 376 E CB -0.135 29.573 29.700 0.014 0.000 0.811 376 E HN 0.249 nan 8.360 nan 0.000 0.502 377 I N 0.838 121.419 120.570 0.019 0.000 2.133 377 I HA -0.258 3.912 4.170 -0.000 0.000 0.238 377 I C 2.256 178.396 176.117 0.039 0.000 1.074 377 I CA 0.868 62.185 61.300 0.029 0.000 1.342 377 I CB -0.171 37.847 38.000 0.030 0.000 1.053 377 I HN 0.095 nan 8.210 nan 0.000 0.404 378 L N 0.724 121.967 121.223 0.033 0.000 2.127 378 L HA -0.217 4.123 4.340 -0.000 0.000 0.211 378 L C 2.624 179.516 176.870 0.036 0.000 1.089 378 L CA 1.945 56.805 54.840 0.034 0.000 0.757 378 L CB -0.737 41.338 42.059 0.027 0.000 0.899 378 L HN 0.352 nan 8.230 nan 0.000 0.434 379 S N -1.294 114.426 115.700 0.033 0.000 2.603 379 S HA 0.010 4.480 4.470 -0.000 0.000 0.229 379 S C 0.934 175.558 174.600 0.040 0.000 0.972 379 S CA -0.229 57.990 58.200 0.033 0.000 0.935 379 S CB -0.851 62.367 63.200 0.029 0.000 0.769 379 S HN 0.248 nan 8.310 nan 0.000 0.536 380 I N 2.582 123.180 120.570 0.047 0.000 2.710 380 I HA -0.009 4.161 4.170 -0.000 0.000 0.286 380 I C 0.497 176.651 176.117 0.061 0.000 1.181 380 I CA 0.147 61.481 61.300 0.057 0.000 1.430 380 I CB 0.387 38.428 38.000 0.069 0.000 1.367 380 I HN 0.185 nan 8.210 nan 0.000 0.577 381 D N 7.321 127.759 120.400 0.063 0.000 2.545 381 D HA -0.024 4.616 4.640 -0.000 0.000 0.227 381 D C 0.168 176.516 176.300 0.080 0.000 1.150 381 D CA 0.172 54.209 54.000 0.062 0.000 1.046 381 D CB 0.058 40.892 40.800 0.056 0.000 1.098 381 D HN 0.539 nan 8.370 nan 0.000 0.502 382 N N 0.765 119.513 118.700 0.081 0.000 2.338 382 N HA -0.084 4.656 4.740 -0.000 0.000 0.251 382 N C 0.894 176.455 175.510 0.085 0.000 1.199 382 N CA -0.333 52.780 53.050 0.105 0.000 0.879 382 N CB 0.460 39.016 38.487 0.115 0.000 1.159 382 N HN 0.069 nan 8.380 nan 0.000 0.514 383 S N -0.862 114.878 115.700 0.065 0.000 2.461 383 S HA 0.024 4.494 4.470 -0.000 0.000 0.228 383 S C 1.115 175.743 174.600 0.047 0.000 1.005 383 S CA 0.313 58.540 58.200 0.046 0.000 0.942 383 S CB -0.447 62.775 63.200 0.036 0.000 0.776 383 S HN 0.554 nan 8.310 nan 0.000 0.514 384 K N 1.703 122.147 120.400 0.074 0.000 2.401 384 K HA 0.324 4.644 4.320 -0.000 0.000 0.278 384 K C 0.023 176.681 176.600 0.097 0.000 1.018 384 K CA -0.174 56.166 56.287 0.088 0.000 0.981 384 K CB -0.147 32.420 32.500 0.112 0.000 0.933 384 K HN 0.650 nan 8.250 nan 0.000 0.477 385 E N -0.345 119.887 120.200 0.053 0.000 2.561 385 E HA 0.703 5.053 4.350 -0.000 0.000 0.254 385 E C -0.643 176.003 176.600 0.077 0.000 1.213 385 E CA -0.204 56.168 56.400 -0.047 0.000 0.995 385 E CB 0.658 30.325 29.700 -0.054 0.000 1.233 385 E HN 0.728 nan 8.360 nan 0.000 0.556 386 Y N -3.410 116.918 120.300 0.046 0.000 2.972 386 Y HA 0.467 5.017 4.550 -0.000 0.000 0.387 386 Y C -1.714 174.217 175.900 0.052 0.000 1.212 386 Y CA -1.182 56.946 58.100 0.048 0.000 1.147 386 Y CB 0.086 38.577 38.460 0.051 0.000 1.561 386 Y HN 0.421 nan 8.280 nan 0.000 0.454 387 A N 1.084 124.125 122.820 0.369 0.000 2.331 387 A HA 0.615 4.935 4.320 -0.000 0.000 0.283 387 A C -0.586 177.195 177.584 0.329 0.000 1.142 387 A CA -0.589 51.591 52.037 0.238 0.000 0.812 387 A CB 0.358 19.456 19.000 0.163 0.000 1.074 387 A HN 0.922 nan 8.150 nan 0.000 0.497 388 V N 5.329 125.356 119.914 0.189 0.000 2.434 388 V HA 0.174 4.294 4.120 -0.000 0.000 0.281 388 V C -1.719 174.473 176.094 0.163 0.000 1.005 388 V CA -0.298 62.111 62.300 0.181 0.000 1.089 388 V CB -0.288 31.591 31.823 0.094 0.000 0.978 388 V HN 0.835 nan 8.190 nan 0.000 0.474 389 P HA 0.474 nan 4.420 nan 0.000 0.301 389 P C -0.454 176.929 177.300 0.139 0.000 1.337 389 P CA -0.949 62.247 63.100 0.160 0.000 0.889 389 P CB 1.248 33.069 31.700 0.202 0.000 1.050 390 R N 1.395 121.982 120.500 0.144 0.000 2.641 390 R HA 0.326 4.666 4.340 -0.000 0.000 0.269 390 R C 1.479 177.903 176.300 0.206 0.000 1.074 390 R CA 0.110 56.296 56.100 0.143 0.000 1.133 390 R CB 0.684 31.058 30.300 0.123 0.000 1.029 390 R HN 0.606 nan 8.270 nan 0.000 0.488 391 A N 3.597 126.535 122.820 0.197 0.000 1.858 391 A HA -0.161 4.159 4.320 -0.000 0.000 0.216 391 A C 2.217 179.996 177.584 0.325 0.000 1.190 391 A CA 1.337 53.541 52.037 0.279 0.000 0.617 391 A CB -0.482 18.640 19.000 0.203 0.000 0.827 391 A HN 0.744 nan 8.150 nan 0.000 0.443 392 I N 0.376 121.082 120.570 0.226 0.000 2.127 392 I HA -0.291 3.879 4.170 -0.000 0.000 0.241 392 I C 2.767 178.993 176.117 0.182 0.000 1.075 392 I CA 1.770 63.182 61.300 0.187 0.000 1.334 392 I CB -0.326 37.763 38.000 0.147 0.000 1.040 392 I HN 0.309 nan 8.210 nan 0.000 0.405 393 S N 0.803 116.610 115.700 0.178 0.000 2.368 393 S HA -0.218 4.252 4.470 -0.000 0.000 0.225 393 S C 1.829 176.540 174.600 0.185 0.000 1.030 393 S CA 1.366 59.656 58.200 0.150 0.000 0.999 393 S CB -0.739 62.539 63.200 0.131 0.000 0.844 393 S HN 0.410 nan 8.310 nan 0.000 0.459 394 F N 3.114 123.133 119.950 0.115 0.000 2.025 394 F HA -0.225 4.302 4.527 -0.000 0.000 0.297 394 F C 2.483 178.357 175.800 0.124 0.000 1.132 394 F CA 2.114 60.189 58.000 0.124 0.000 1.191 394 F CB -1.336 37.777 39.000 0.188 0.000 0.963 394 F HN 0.125 nan 8.300 nan 0.000 0.481 395 T N 0.304 114.965 114.554 0.177 0.000 2.737 395 T HA -0.190 4.160 4.350 -0.000 0.000 0.269 395 T C 2.095 176.816 174.700 0.034 0.000 1.040 395 T CA 1.455 63.600 62.100 0.076 0.000 1.142 395 T CB -1.442 67.607 68.868 0.302 0.000 0.861 395 T HN 0.525 nan 8.240 nan 0.000 0.456 396 G N 1.458 110.279 108.800 0.034 0.000 2.511 396 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.216 396 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.216 396 G C 1.903 176.806 174.900 0.005 0.000 1.218 396 G CA 1.109 46.220 45.100 0.018 0.000 0.788 396 G HN 0.596 nan 8.290 nan 0.000 0.560 397 A N 0.306 123.104 122.820 -0.037 0.000 1.903 397 A HA -0.162 4.158 4.320 -0.000 0.000 0.219 397 A C 2.497 179.984 177.584 -0.162 0.000 1.191 397 A CA 2.489 54.480 52.037 -0.076 0.000 0.638 397 A CB -0.427 18.532 19.000 -0.068 0.000 0.823 397 A HN 0.347 nan 8.150 nan 0.000 0.451 398 M N -2.254 117.159 119.600 -0.311 0.000 2.067 398 M HA -0.147 4.333 4.480 -0.000 0.000 0.260 398 M C 2.233 178.403 176.300 -0.217 0.000 1.069 398 M CA 1.605 56.677 55.300 -0.379 0.000 1.117 398 M CB -1.293 30.933 32.600 -0.624 0.000 1.334 398 M HN 0.561 nan 8.290 nan 0.000 0.407 399 Y N 0.792 120.967 120.300 -0.210 0.000 2.193 399 Y HA -0.254 4.296 4.550 -0.000 0.000 0.285 399 Y C 2.683 178.545 175.900 -0.062 0.000 1.166 399 Y CA 1.970 60.015 58.100 -0.092 0.000 1.181 399 Y CB -0.756 37.670 38.460 -0.056 0.000 0.976 399 Y HN 0.304 nan 8.280 nan 0.000 0.520 400 T N 0.134 114.731 114.554 0.071 0.000 2.746 400 T HA -0.171 4.178 4.350 -0.000 0.000 0.267 400 T C 1.599 176.249 174.700 -0.083 0.000 1.039 400 T CA 1.192 63.287 62.100 -0.009 0.000 1.142 400 T CB -0.467 68.392 68.868 -0.015 0.000 0.866 400 T HN 0.214 nan 8.240 nan 0.000 0.444 401 L N 0.781 121.934 121.223 -0.118 0.000 2.675 401 L HA 0.220 4.560 4.340 -0.000 0.000 0.239 401 L C 1.591 178.353 176.870 -0.180 0.000 1.151 401 L CA 0.115 54.863 54.840 -0.153 0.000 0.905 401 L CB -0.609 41.345 42.059 -0.175 0.000 1.057 401 L HN 0.470 nan 8.230 nan 0.000 0.435 402 G N 0.465 109.177 108.800 -0.147 0.000 2.198 402 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.257 402 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.257 402 G C 0.240 175.020 174.900 -0.201 0.000 1.042 402 G CA 0.156 45.182 45.100 -0.123 0.000 0.791 402 G HN 0.391 nan 8.290 nan 0.000 0.502 403 M N 0.128 119.520 119.600 -0.346 0.000 2.720 403 M HA 0.228 4.708 4.480 -0.000 0.000 0.250 403 M C -2.763 173.243 176.300 -0.490 0.000 1.280 403 M CA -1.613 53.295 55.300 -0.652 0.000 0.579 403 M CB 1.789 33.805 32.600 -0.973 0.000 1.469 403 M HN -0.147 nan 8.290 nan 0.000 0.416 404 P HA 0.017 nan 4.420 nan 0.000 0.260 404 P C -2.024 175.081 177.300 -0.326 0.000 1.185 404 P CA -0.492 62.092 63.100 -0.860 0.000 0.763 404 P CB 0.052 31.201 31.700 -0.917 0.000 0.776 405 P HA -0.146 nan 4.420 nan 0.000 0.222 405 P C 1.141 178.390 177.300 -0.086 0.000 1.147 405 P CA 1.149 64.031 63.100 -0.363 0.000 0.790 405 P CB 0.058 31.176 31.700 -0.970 0.000 0.780 406 E N -0.247 119.944 120.200 -0.015 0.000 2.108 406 E HA -0.201 4.149 4.350 -0.000 0.000 0.203 406 E C 1.749 178.535 176.600 0.309 0.000 1.022 406 E CA 1.275 57.898 56.400 0.372 0.000 0.823 406 E CB -1.199 28.714 29.700 0.356 0.000 0.744 406 E HN 0.189 nan 8.360 nan 0.000 0.456 407 L N -0.197 121.151 121.223 0.208 0.000 2.217 407 L HA 0.026 4.366 4.340 -0.000 0.000 0.211 407 L C 1.152 178.093 176.870 0.118 0.000 1.107 407 L CA 0.496 55.388 54.840 0.087 0.000 0.783 407 L CB -0.281 41.690 42.059 -0.147 0.000 0.919 407 L HN 0.207 nan 8.230 nan 0.000 0.442 408 M N -0.025 119.784 119.600 0.349 0.000 2.390 408 M HA 0.155 4.635 4.480 -0.000 0.000 0.353 408 M C 1.311 177.859 176.300 0.414 0.000 1.623 408 M CA 1.121 56.675 55.300 0.424 0.000 1.065 408 M CB -0.145 32.733 32.600 0.462 0.000 2.025 408 M HN 0.325 nan 8.290 nan 0.000 0.461 409 G N 4.285 113.244 108.800 0.266 0.000 2.196 409 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.268 409 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.268 409 G C 0.603 175.634 174.900 0.219 0.000 0.975 409 G CA 0.676 45.941 45.100 0.275 0.000 0.648 409 G HN 0.663 nan 8.290 nan 0.000 0.538 410 M N 0.182 119.889 119.600 0.178 0.000 2.435 410 M HA 0.157 4.637 4.480 -0.000 0.000 0.265 410 M C 2.586 178.906 176.300 0.033 0.000 1.104 410 M CA 1.604 56.980 55.300 0.126 0.000 1.140 410 M CB -1.331 31.359 32.600 0.151 0.000 1.372 410 M HN 0.266 nan 8.290 nan 0.000 0.456 411 G N 0.808 109.621 108.800 0.023 0.000 2.464 411 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.214 411 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.214 411 G C 1.783 176.591 174.900 -0.155 0.000 1.218 411 G CA 0.334 45.462 45.100 0.047 0.000 0.794 411 G HN 0.356 nan 8.290 nan 0.000 0.542 412 R N 0.600 120.984 120.500 -0.194 0.000 2.117 412 R HA -0.082 4.258 4.340 -0.000 0.000 0.243 412 R C 2.972 178.844 176.300 -0.714 0.000 1.143 412 R CA 1.208 56.976 56.100 -0.554 0.000 0.968 412 R CB -0.389 29.616 30.300 -0.492 0.000 0.863 412 R HN 0.369 nan 8.270 nan 0.000 0.444 413 A N 1.254 123.851 122.820 -0.372 0.000 1.858 413 A HA -0.147 4.173 4.320 -0.000 0.000 0.216 413 A C 2.180 179.716 177.584 -0.080 0.000 1.190 413 A CA 1.161 53.204 52.037 0.010 0.000 0.617 413 A CB -0.648 18.464 19.000 0.187 0.000 0.827 413 A HN 0.199 nan 8.150 nan 0.000 0.443 414 L N -0.309 120.839 121.223 -0.125 0.000 2.079 414 L HA -0.250 4.090 4.340 -0.000 0.000 0.210 414 L C 2.567 179.330 176.870 -0.179 0.000 1.081 414 L CA 1.754 56.514 54.840 -0.135 0.000 0.752 414 L CB -0.629 41.375 42.059 -0.091 0.000 0.896 414 L HN 0.578 nan 8.230 nan 0.000 0.433 415 N N 0.387 118.873 118.700 -0.357 0.000 2.084 415 N HA -0.264 4.476 4.740 -0.000 0.000 0.190 415 N C 1.774 177.154 175.510 -0.218 0.000 1.030 415 N CA 1.752 54.535 53.050 -0.446 0.000 0.849 415 N CB -0.022 37.842 38.487 -1.038 0.000 1.012 415 N HN 0.306 nan 8.380 nan 0.000 0.423 416 E N -0.203 119.905 120.200 -0.153 0.000 2.058 416 E HA -0.157 4.193 4.350 -0.000 0.000 0.194 416 E C 1.967 178.608 176.600 0.069 0.000 0.997 416 E CA 1.418 57.826 56.400 0.012 0.000 0.801 416 E CB -0.188 29.627 29.700 0.192 0.000 0.746 416 E HN 0.489 nan 8.360 nan 0.000 0.450 417 I N 0.670 121.291 120.570 0.085 0.000 2.226 417 I HA -0.255 3.915 4.170 -0.000 0.000 0.245 417 I C 2.697 178.919 176.117 0.175 0.000 1.100 417 I CA 0.789 62.209 61.300 0.201 0.000 1.374 417 I CB -0.349 37.666 38.000 0.026 0.000 1.057 417 I HN 0.055 nan 8.210 nan 0.000 0.413 418 K N 0.926 121.358 120.400 0.053 0.000 2.020 418 K HA -0.195 4.125 4.320 -0.000 0.000 0.212 418 K C 2.150 178.779 176.600 0.048 0.000 1.050 418 K CA 2.477 58.791 56.287 0.044 0.000 0.929 418 K CB -0.650 31.849 32.500 -0.002 0.000 0.714 418 K HN 0.377 nan 8.250 nan 0.000 0.443 419 T N 1.812 116.376 114.554 0.016 0.000 2.652 419 T HA -0.123 4.227 4.350 -0.000 0.000 0.267 419 T C 1.904 176.593 174.700 -0.019 0.000 1.039 419 T CA 1.113 63.214 62.100 0.001 0.000 1.153 419 T CB -0.066 68.794 68.868 -0.012 0.000 0.863 419 T HN 0.160 nan 8.240 nan 0.000 0.428 420 K N 1.195 121.570 120.400 -0.041 0.000 1.965 420 K HA -0.058 4.262 4.320 -0.000 0.000 0.218 420 K C 1.342 177.782 176.600 -0.267 0.000 1.048 420 K CA 1.495 57.646 56.287 -0.227 0.000 0.960 420 K CB -0.703 31.575 32.500 -0.370 0.000 0.732 420 K HN 0.508 nan 8.250 nan 0.000 0.444 421 Y N 1.242 121.590 120.300 0.081 0.000 2.882 421 Y HA 0.232 4.782 4.550 -0.000 0.000 0.361 421 Y C 1.330 177.269 175.900 0.066 0.000 1.058 421 Y CA -0.072 58.079 58.100 0.086 0.000 1.575 421 Y CB -0.402 38.144 38.460 0.144 0.000 1.383 421 Y HN 0.372 nan 8.280 nan 0.000 0.515 422 G N 1.034 109.909 108.800 0.123 0.000 2.568 422 G HA2 -0.482 3.478 3.960 -0.000 0.000 0.334 422 G HA3 -0.482 3.478 3.960 -0.000 0.000 0.334 422 G C 0.998 175.957 174.900 0.098 0.000 1.348 422 G CA 1.121 46.274 45.100 0.088 0.000 0.949 422 G HN 0.452 nan 8.290 nan 0.000 0.532 423 Q N -0.475 119.369 119.800 0.074 0.000 2.137 423 Q HA 0.057 4.397 4.340 -0.000 0.000 0.198 423 Q C 2.471 178.517 176.000 0.076 0.000 0.960 423 Q CA 2.203 58.044 55.803 0.063 0.000 0.847 423 Q CB -0.430 28.334 28.738 0.044 0.000 0.915 423 Q HN 0.783 nan 8.270 nan 0.000 0.448 424 E N -0.965 119.288 120.200 0.087 0.000 2.147 424 E HA -0.209 4.141 4.350 -0.000 0.000 0.199 424 E C 1.618 178.288 176.600 0.117 0.000 1.005 424 E CA 1.337 57.793 56.400 0.092 0.000 0.810 424 E CB -0.506 29.250 29.700 0.094 0.000 0.736 424 E HN 0.569 nan 8.360 nan 0.000 0.460 425 G N 0.470 109.373 108.800 0.170 0.000 2.394 425 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.215 425 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.215 425 G C 1.444 176.429 174.900 0.142 0.000 1.165 425 G CA 0.623 45.846 45.100 0.204 0.000 0.784 425 G HN 0.171 nan 8.290 nan 0.000 0.535 426 I N 1.989 122.609 120.570 0.083 0.000 2.127 426 I HA -0.124 4.046 4.170 -0.000 0.000 0.241 426 I C 2.249 178.382 176.117 0.026 0.000 1.075 426 I CA 1.175 62.483 61.300 0.014 0.000 1.334 426 I CB -0.315 37.688 38.000 0.004 0.000 1.040 426 I HN 0.107 nan 8.210 nan 0.000 0.405 427 D N 0.059 120.485 120.400 0.043 0.000 2.182 427 D HA -0.238 4.402 4.640 -0.000 0.000 0.201 427 D C 2.116 178.451 176.300 0.059 0.000 0.986 427 D CA 1.091 55.115 54.000 0.040 0.000 0.847 427 D CB -0.194 40.630 40.800 0.040 0.000 0.942 427 D HN 0.226 nan 8.370 nan 0.000 0.467 428 K N 1.217 121.667 120.400 0.083 0.000 2.002 428 K HA -0.132 4.188 4.320 -0.000 0.000 0.209 428 K C 2.059 178.747 176.600 0.148 0.000 1.048 428 K CA 0.603 56.955 56.287 0.108 0.000 0.930 428 K CB -0.730 31.837 32.500 0.112 0.000 0.714 428 K HN 0.077 nan 8.250 nan 0.000 0.438 429 L N 0.740 122.065 121.223 0.170 0.000 2.013 429 L HA -0.128 4.212 4.340 -0.000 0.000 0.212 429 L C 1.994 178.932 176.870 0.114 0.000 1.073 429 L CA 1.787 56.725 54.840 0.164 0.000 0.753 429 L CB -0.655 41.358 42.059 -0.077 0.000 0.890 429 L HN 0.337 nan 8.230 nan 0.000 0.432 430 L N -0.642 120.610 121.223 0.049 0.000 2.093 430 L HA -0.196 4.144 4.340 -0.000 0.000 0.208 430 L C 2.642 179.552 176.870 0.067 0.000 1.085 430 L CA 1.511 56.366 54.840 0.025 0.000 0.755 430 L CB -0.470 41.584 42.059 -0.009 0.000 0.904 430 L HN 0.447 nan 8.230 nan 0.000 0.435 431 E N 0.418 120.664 120.200 0.077 0.000 2.070 431 E HA -0.277 4.073 4.350 -0.000 0.000 0.197 431 E C 2.220 178.894 176.600 0.123 0.000 1.004 431 E CA 1.657 58.107 56.400 0.082 0.000 0.805 431 E CB -0.066 29.682 29.700 0.081 0.000 0.744 431 E HN 0.485 nan 8.360 nan 0.000 0.451 432 I N -0.380 120.298 120.570 0.180 0.000 2.286 432 I HA -0.213 3.957 4.170 -0.000 0.000 0.245 432 I C 1.142 177.406 176.117 0.245 0.000 1.104 432 I CA 0.661 62.115 61.300 0.257 0.000 1.397 432 I CB 0.148 38.302 38.000 0.258 0.000 1.072 432 I HN 0.154 nan 8.210 nan 0.000 0.417 433 Y N 3.187 123.517 120.300 0.051 0.000 2.638 433 Y HA 0.351 4.901 4.550 -0.000 0.000 0.367 433 Y C -2.034 173.858 175.900 -0.013 0.000 1.001 433 Y CA -3.947 54.152 58.100 -0.003 0.000 1.133 433 Y CB -0.198 38.269 38.460 0.012 0.000 1.199 433 Y HN 0.008 nan 8.280 nan 0.000 0.642 434 P HA -0.185 nan 4.420 nan 0.000 0.216 434 P C 1.681 179.010 177.300 0.048 0.000 1.150 434 P CA 1.319 64.462 63.100 0.072 0.000 0.837 434 P CB 0.616 32.342 31.700 0.044 0.000 0.786 435 I N -0.685 119.959 120.570 0.123 0.000 3.456 435 I HA -0.125 4.045 4.170 -0.000 0.000 0.291 435 I C 1.810 177.955 176.117 0.046 0.000 1.307 435 I CA 0.111 61.477 61.300 0.111 0.000 1.333 435 I CB -0.305 37.795 38.000 0.167 0.000 1.032 435 I HN -0.176 nan 8.210 nan 0.000 0.506 436 L N 0.976 122.024 121.223 -0.292 0.000 2.017 436 L HA -0.207 4.133 4.340 -0.000 0.000 0.208 436 L C 2.484 179.237 176.870 -0.195 0.000 1.073 436 L CA 1.827 56.276 54.840 -0.651 0.000 0.745 436 L CB -0.679 40.763 42.059 -1.029 0.000 0.894 436 L HN 0.220 nan 8.230 nan 0.000 0.432 437 R N -0.340 120.097 120.500 -0.105 0.000 2.088 437 R HA -0.182 4.158 4.340 -0.000 0.000 0.232 437 R C 2.265 178.607 176.300 0.069 0.000 1.136 437 R CA 1.772 57.862 56.100 -0.017 0.000 0.926 437 R CB -0.620 29.672 30.300 -0.013 0.000 0.837 437 R HN 0.324 nan 8.270 nan 0.000 0.429 438 K N 0.472 120.924 120.400 0.086 0.000 2.173 438 K HA -0.202 4.118 4.320 -0.000 0.000 0.207 438 K C 1.601 178.433 176.600 0.387 0.000 1.046 438 K CA 1.714 58.105 56.287 0.173 0.000 0.929 438 K CB -0.186 32.345 32.500 0.051 0.000 0.720 438 K HN 0.212 nan 8.250 nan 0.000 0.453 439 D N 0.694 121.307 120.400 0.354 0.000 2.077 439 D HA -0.110 4.530 4.640 -0.000 0.000 0.197 439 D C 2.046 178.550 176.300 0.340 0.000 0.983 439 D CA 0.981 55.248 54.000 0.445 0.000 0.841 439 D CB -0.365 40.662 40.800 0.378 0.000 0.992 439 D HN 0.062 nan 8.370 nan 0.000 0.450 440 L N 0.712 122.069 121.223 0.224 0.000 2.017 440 L HA -0.172 4.168 4.340 -0.000 0.000 0.208 440 L C 2.554 179.550 176.870 0.211 0.000 1.073 440 L CA 1.166 56.125 54.840 0.198 0.000 0.745 440 L CB -0.531 41.595 42.059 0.111 0.000 0.894 440 L HN -0.016 nan 8.230 nan 0.000 0.432 441 A N 0.131 123.061 122.820 0.183 0.000 1.903 441 A HA -0.328 3.992 4.320 -0.000 0.000 0.219 441 A C 2.181 179.883 177.584 0.197 0.000 1.191 441 A CA 2.209 54.335 52.037 0.149 0.000 0.638 441 A CB -1.049 18.027 19.000 0.126 0.000 0.823 441 A HN 0.421 nan 8.150 nan 0.000 0.451 442 F N 0.533 120.596 119.950 0.189 0.000 2.031 442 F HA -0.071 4.456 4.527 -0.000 0.000 0.295 442 F C 2.662 178.653 175.800 0.318 0.000 1.133 442 F CA 1.901 60.048 58.000 0.246 0.000 1.188 442 F CB -0.565 38.601 39.000 0.276 0.000 0.974 442 F HN 0.266 nan 8.300 nan 0.000 0.473 443 A N 0.473 123.704 122.820 0.685 0.000 1.917 443 A HA -0.187 4.133 4.320 -0.000 0.000 0.219 443 A C 2.319 180.106 177.584 0.340 0.000 1.182 443 A CA 2.094 54.489 52.037 0.597 0.000 0.633 443 A CB -1.701 17.546 19.000 0.412 0.000 0.819 443 A HN 0.600 nan 8.150 nan 0.000 0.448 444 A N -0.491 122.463 122.820 0.223 0.000 1.972 444 A HA -0.154 4.166 4.320 -0.000 0.000 0.219 444 A C 2.128 179.790 177.584 0.130 0.000 1.169 444 A CA 1.323 53.478 52.037 0.196 0.000 0.635 444 A CB -0.502 18.621 19.000 0.204 0.000 0.810 444 A HN 0.553 nan 8.150 nan 0.000 0.446 445 R N -1.679 118.761 120.500 -0.099 0.000 2.211 445 R HA -0.150 4.190 4.340 -0.000 0.000 0.240 445 R C 0.413 176.457 176.300 -0.426 0.000 1.144 445 R CA 1.387 57.270 56.100 -0.362 0.000 0.992 445 R CB -0.346 29.518 30.300 -0.726 0.000 0.869 445 R HN 0.639 nan 8.270 nan 0.000 0.462 446 F N -0.605 119.324 119.950 -0.035 0.000 2.653 446 F HA 0.330 4.857 4.527 -0.000 0.000 0.304 446 F C 0.705 176.495 175.800 -0.017 0.000 1.092 446 F CA -0.533 57.384 58.000 -0.139 0.000 1.279 446 F CB 0.489 39.345 39.000 -0.241 0.000 1.044 446 F HN -0.152 nan 8.300 nan 0.000 0.564 447 A N 1.133 124.089 122.820 0.226 0.000 2.290 447 A HA 0.512 4.832 4.320 -0.000 0.000 0.310 447 A C -0.324 177.402 177.584 0.236 0.000 1.202 447 A CA -0.376 51.785 52.037 0.207 0.000 0.837 447 A CB 0.363 19.495 19.000 0.222 0.000 1.139 447 A HN 0.206 nan 8.150 nan 0.000 0.509 448 N N 2.064 120.846 118.700 0.136 0.000 2.480 448 N HA 0.256 4.996 4.740 -0.000 0.000 0.289 448 N C 0.903 176.436 175.510 0.039 0.000 1.073 448 N CA 0.306 53.429 53.050 0.121 0.000 0.885 448 N CB 1.969 40.526 38.487 0.118 0.000 1.421 448 N HN 0.600 nan 8.380 nan 0.000 0.503 449 G N 1.852 110.662 108.800 0.017 0.000 2.448 449 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.219 449 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.219 449 G C 1.178 176.066 174.900 -0.019 0.000 1.127 449 G CA 1.075 46.176 45.100 0.002 0.000 0.766 449 G HN 0.602 nan 8.290 nan 0.000 0.552 450 G N 0.523 109.314 108.800 -0.015 0.000 2.430 450 G HA2 -0.033 3.927 3.960 -0.000 0.000 0.216 450 G HA3 -0.033 3.927 3.960 -0.000 0.000 0.216 450 G C 1.781 176.651 174.900 -0.050 0.000 1.146 450 G CA 1.379 46.462 45.100 -0.028 0.000 0.793 450 G HN 0.733 nan 8.290 nan 0.000 0.537 451 V N -1.086 118.791 119.914 -0.063 0.000 3.461 451 V HA 0.106 4.226 4.120 -0.000 0.000 0.267 451 V C 1.998 178.030 176.094 -0.103 0.000 1.186 451 V CA 1.664 63.908 62.300 -0.093 0.000 1.154 451 V CB 0.071 31.823 31.823 -0.118 0.000 0.802 451 V HN 0.186 nan 8.190 nan 0.000 0.474 452 S N -0.683 114.957 115.700 -0.100 0.000 2.517 452 S HA 0.167 4.637 4.470 -0.000 0.000 0.214 452 S C 0.957 175.505 174.600 -0.086 0.000 0.991 452 S CA -0.147 57.988 58.200 -0.108 0.000 0.906 452 S CB -0.146 62.974 63.200 -0.134 0.000 0.789 452 S HN 0.672 nan 8.310 nan 0.000 0.513 453 K N 2.347 122.704 120.400 -0.072 0.000 2.436 453 K HA 0.017 4.337 4.320 -0.000 0.000 0.282 453 K C -0.151 176.413 176.600 -0.059 0.000 1.044 453 K CA 0.511 56.763 56.287 -0.058 0.000 1.028 453 K CB 0.027 32.498 32.500 -0.049 0.000 0.919 453 K HN 0.050 nan 8.250 nan 0.000 0.474 454 K N 2.188 122.554 120.400 -0.057 0.000 3.512 454 K HA -0.202 4.118 4.320 -0.000 0.000 0.309 454 K C 0.554 177.113 176.600 -0.068 0.000 1.350 454 K CA 1.245 57.498 56.287 -0.057 0.000 0.960 454 K CB -1.089 31.381 32.500 -0.050 0.000 1.290 454 K HN 0.636 nan 8.250 nan 0.000 0.454 455 I N -0.481 120.044 120.570 -0.075 0.000 3.366 455 I HA 0.081 4.251 4.170 -0.000 0.000 0.267 455 I C 0.777 176.842 176.117 -0.087 0.000 1.149 455 I CA -0.338 60.911 61.300 -0.085 0.000 1.436 455 I CB 0.278 38.227 38.000 -0.084 0.000 1.379 455 I HN -0.035 nan 8.210 nan 0.000 0.460 456 I N 1.394 121.911 120.570 -0.089 0.000 2.764 456 I HA 0.058 4.228 4.170 -0.000 0.000 0.294 456 I C 0.181 176.254 176.117 -0.074 0.000 1.045 456 I CA -0.184 61.060 61.300 -0.093 0.000 1.340 456 I CB 0.216 38.146 38.000 -0.117 0.000 1.436 456 I HN 0.069 nan 8.210 nan 0.000 0.567 457 D N 2.961 123.319 120.400 -0.070 0.000 2.434 457 D HA -0.093 4.547 4.640 -0.000 0.000 0.252 457 D C 1.045 177.321 176.300 -0.040 0.000 1.185 457 D CA 0.289 54.258 54.000 -0.050 0.000 0.886 457 D CB 0.800 41.573 40.800 -0.045 0.000 1.148 457 D HN 0.410 nan 8.370 nan 0.000 0.483 458 E N 3.274 123.455 120.200 -0.032 0.000 2.097 458 E HA -0.225 4.124 4.350 -0.000 0.000 0.196 458 E C 1.379 177.972 176.600 -0.012 0.000 1.000 458 E CA 1.540 57.926 56.400 -0.024 0.000 0.804 458 E CB 0.078 29.765 29.700 -0.021 0.000 0.740 458 E HN 0.645 nan 8.360 nan 0.000 0.454 459 E N -0.581 119.615 120.200 -0.006 0.000 2.077 459 E HA -0.181 4.169 4.350 -0.000 0.000 0.193 459 E C 1.976 178.584 176.600 0.015 0.000 0.989 459 E CA 0.919 57.323 56.400 0.007 0.000 0.800 459 E CB -0.178 29.528 29.700 0.011 0.000 0.746 459 E HN 0.351 nan 8.360 nan 0.000 0.452 460 A N 1.535 124.357 122.820 0.004 0.000 1.855 460 A HA -0.197 4.123 4.320 -0.000 0.000 0.215 460 A C 2.109 179.709 177.584 0.025 0.000 1.191 460 A CA 1.449 53.491 52.037 0.009 0.000 0.613 460 A CB -0.497 18.486 19.000 -0.028 0.000 0.829 460 A HN 0.074 nan 8.150 nan 0.000 0.442 461 R N -0.943 119.555 120.500 -0.002 0.000 2.117 461 R HA -0.190 4.150 4.340 -0.000 0.000 0.243 461 R C 2.206 178.533 176.300 0.044 0.000 1.143 461 R CA 1.712 57.817 56.100 0.007 0.000 0.968 461 R CB -0.165 30.119 30.300 -0.027 0.000 0.863 461 R HN 0.492 nan 8.270 nan 0.000 0.444 462 Q N 0.260 120.076 119.800 0.026 0.000 2.172 462 Q HA -0.138 4.202 4.340 -0.000 0.000 0.200 462 Q C 1.777 177.796 176.000 0.032 0.000 0.964 462 Q CA 1.430 57.244 55.803 0.018 0.000 0.855 462 Q CB 0.021 28.765 28.738 0.010 0.000 0.918 462 Q HN 0.540 nan 8.270 nan 0.000 0.444 463 E N -0.472 119.763 120.200 0.059 0.000 2.072 463 E HA -0.181 4.169 4.350 -0.000 0.000 0.191 463 E C 1.770 178.421 176.600 0.085 0.000 0.985 463 E CA 0.795 57.240 56.400 0.075 0.000 0.801 463 E CB -0.203 29.550 29.700 0.089 0.000 0.750 463 E HN 0.291 nan 8.360 nan 0.000 0.452 464 Y N 2.039 122.327 120.300 -0.020 0.000 2.181 464 Y HA -0.209 4.341 4.550 -0.000 0.000 0.288 464 Y C 1.953 177.810 175.900 -0.072 0.000 1.146 464 Y CA 1.626 59.703 58.100 -0.038 0.000 1.164 464 Y CB 0.123 38.546 38.460 -0.062 0.000 0.982 464 Y HN -0.155 nan 8.280 nan 0.000 0.515 465 K N -0.039 120.371 120.400 0.018 0.000 2.103 465 K HA -0.228 4.092 4.320 -0.000 0.000 0.207 465 K C 2.012 178.507 176.600 -0.176 0.000 1.048 465 K CA 1.843 58.066 56.287 -0.107 0.000 0.930 465 K CB -0.196 32.267 32.500 -0.062 0.000 0.716 465 K HN 0.456 nan 8.250 nan 0.000 0.444 466 E N 0.743 120.875 120.200 -0.114 0.000 2.051 466 E HA -0.187 4.163 4.350 -0.000 0.000 0.192 466 E C 1.687 178.233 176.600 -0.090 0.000 0.991 466 E CA 1.174 57.499 56.400 -0.125 0.000 0.799 466 E CB 0.067 29.780 29.700 0.022 0.000 0.748 466 E HN 0.258 nan 8.360 nan 0.000 0.449 467 D N 0.247 120.596 120.400 -0.086 0.000 2.097 467 D HA -0.174 4.466 4.640 -0.000 0.000 0.195 467 D C 2.031 178.219 176.300 -0.186 0.000 0.989 467 D CA 1.116 55.055 54.000 -0.101 0.000 0.827 467 D CB -0.153 40.501 40.800 -0.243 0.000 0.966 467 D HN 0.199 nan 8.370 nan 0.000 0.456 468 M N 0.609 119.978 119.600 -0.385 0.000 2.110 468 M HA -0.242 4.238 4.480 -0.000 0.000 0.257 468 M C 2.300 178.521 176.300 -0.133 0.000 1.071 468 M CA 1.610 56.685 55.300 -0.375 0.000 1.096 468 M CB -0.331 31.849 32.600 -0.700 0.000 1.300 468 M HN -0.112 nan 8.290 nan 0.000 0.411 469 K N -0.257 120.029 120.400 -0.189 0.000 2.001 469 K HA -0.224 4.096 4.320 -0.000 0.000 0.214 469 K C 1.850 178.390 176.600 -0.099 0.000 1.050 469 K CA 2.050 58.249 56.287 -0.147 0.000 0.934 469 K CB -0.273 32.032 32.500 -0.326 0.000 0.718 469 K HN 0.171 nan 8.250 nan 0.000 0.443 470 Y N 0.537 120.817 120.300 -0.035 0.000 2.097 470 Y HA -0.254 4.296 4.550 -0.000 0.000 0.282 470 Y C 2.347 178.238 175.900 -0.015 0.000 1.152 470 Y CA 1.215 59.296 58.100 -0.032 0.000 1.136 470 Y CB -0.884 37.539 38.460 -0.060 0.000 0.975 470 Y HN -0.123 nan 8.280 nan 0.000 0.498 471 V N 0.704 120.709 119.914 0.152 0.000 2.250 471 V HA -0.390 3.730 4.120 -0.000 0.000 0.250 471 V C 2.306 178.449 176.094 0.083 0.000 1.060 471 V CA 2.394 64.749 62.300 0.092 0.000 1.030 471 V CB -0.781 31.084 31.823 0.070 0.000 0.643 471 V HN 0.458 nan 8.190 nan 0.000 0.445 472 N N -0.385 118.377 118.700 0.105 0.000 2.188 472 N HA -0.151 4.589 4.740 -0.000 0.000 0.184 472 N C 1.850 177.376 175.510 0.026 0.000 1.018 472 N CA 1.754 54.838 53.050 0.057 0.000 0.858 472 N CB -0.053 38.475 38.487 0.069 0.000 0.989 472 N HN 0.615 nan 8.380 nan 0.000 0.426 473 E N -0.569 119.658 120.200 0.046 0.000 2.086 473 E HA 0.121 4.471 4.350 -0.000 0.000 0.190 473 E C 1.857 178.484 176.600 0.045 0.000 0.975 473 E CA 0.418 56.839 56.400 0.035 0.000 0.813 473 E CB 0.111 29.831 29.700 0.034 0.000 0.768 473 E HN 0.347 nan 8.360 nan 0.000 0.457 474 I N 0.418 121.030 120.570 0.071 0.000 2.614 474 I HA -0.177 3.993 4.170 -0.000 0.000 0.258 474 I C 0.998 177.128 176.117 0.021 0.000 1.189 474 I CA 0.609 61.940 61.300 0.052 0.000 1.462 474 I CB 0.337 38.370 38.000 0.056 0.000 1.092 474 I HN 0.103 nan 8.210 nan 0.000 0.442 475 L N -0.109 121.123 121.223 0.016 0.000 3.016 475 L HA 0.246 4.586 4.340 -0.000 0.000 0.267 475 L C 0.556 177.423 176.870 -0.006 0.000 1.182 475 L CA 0.049 54.888 54.840 -0.001 0.000 0.997 475 L CB -0.470 41.584 42.059 -0.007 0.000 1.354 475 L HN 0.137 nan 8.230 nan 0.000 0.569 476 N N 0.295 118.992 118.700 -0.005 0.000 2.696 476 N HA -0.248 4.492 4.740 -0.000 0.000 0.249 476 N C 1.175 176.665 175.510 -0.033 0.000 1.090 476 N CA 0.797 53.836 53.050 -0.019 0.000 0.716 476 N CB -1.292 37.184 38.487 -0.017 0.000 1.020 476 N HN 0.348 nan 8.380 nan 0.000 0.548 477 L N -0.583 120.621 121.223 -0.032 0.000 2.349 477 L HA -0.106 4.234 4.340 -0.000 0.000 0.220 477 L C 1.661 178.482 176.870 -0.081 0.000 1.130 477 L CA 1.154 55.967 54.840 -0.044 0.000 0.791 477 L CB -0.529 41.511 42.059 -0.033 0.000 0.918 477 L HN 0.425 nan 8.230 nan 0.000 0.444 478 G N 0.978 109.721 108.800 -0.096 0.000 2.350 478 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.298 478 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.298 478 G C -0.198 174.595 174.900 -0.178 0.000 1.037 478 G CA -0.029 44.999 45.100 -0.121 0.000 1.074 478 G HN 0.241 nan 8.290 nan 0.000 0.511 479 L N -0.216 120.858 121.223 -0.248 0.000 2.334 479 L HA 0.659 4.999 4.340 -0.000 0.000 0.272 479 L C -0.100 176.526 176.870 -0.406 0.000 1.020 479 L CA -1.040 53.581 54.840 -0.364 0.000 0.812 479 L CB 1.752 43.501 42.059 -0.516 0.000 1.264 479 L HN 0.142 nan 8.230 nan 0.000 0.439 480 D N 0.196 120.393 120.400 -0.338 0.000 2.446 480 D HA 0.170 4.810 4.640 -0.000 0.000 0.251 480 D C 0.316 176.546 176.300 -0.117 0.000 1.137 480 D CA -0.359 53.520 54.000 -0.202 0.000 0.890 480 D CB 0.792 41.539 40.800 -0.089 0.000 1.071 480 D HN 0.309 nan 8.370 nan 0.000 0.528 481 Y N 1.329 121.626 120.300 -0.006 0.000 2.274 481 Y HA -0.156 4.394 4.550 -0.000 0.000 0.290 481 Y C 1.998 177.874 175.900 -0.040 0.000 1.145 481 Y CA 0.909 58.996 58.100 -0.021 0.000 1.203 481 Y CB 0.024 38.479 38.460 -0.009 0.000 0.984 481 Y HN 0.380 nan 8.280 nan 0.000 0.533 482 D N -0.611 119.872 120.400 0.137 0.000 2.084 482 D HA -0.200 4.440 4.640 -0.000 0.000 0.196 482 D C 2.106 178.417 176.300 0.018 0.000 0.985 482 D CA 1.206 55.244 54.000 0.062 0.000 0.826 482 D CB -0.782 40.054 40.800 0.060 0.000 0.978 482 D HN 0.311 nan 8.370 nan 0.000 0.456 483 F N 1.691 121.591 119.950 -0.083 0.000 2.091 483 F HA -0.224 4.303 4.527 -0.000 0.000 0.299 483 F C 2.232 177.938 175.800 -0.156 0.000 1.103 483 F CA 1.362 59.300 58.000 -0.103 0.000 1.228 483 F CB -0.379 38.556 39.000 -0.108 0.000 0.984 483 F HN -0.117 nan 8.300 nan 0.000 0.477 484 L N 0.309 121.485 121.223 -0.078 0.000 2.042 484 L HA -0.270 4.070 4.340 -0.000 0.000 0.210 484 L C 2.294 178.743 176.870 -0.701 0.000 1.076 484 L CA 1.856 56.470 54.840 -0.377 0.000 0.749 484 L CB -1.009 40.827 42.059 -0.373 0.000 0.893 484 L HN 0.301 nan 8.230 nan 0.000 0.432 485 N N 0.185 118.603 118.700 -0.469 0.000 2.166 485 N HA -0.216 4.524 4.740 -0.000 0.000 0.186 485 N C 1.704 177.107 175.510 -0.178 0.000 1.019 485 N CA 1.577 54.482 53.050 -0.242 0.000 0.856 485 N CB 0.085 38.545 38.487 -0.045 0.000 0.993 485 N HN 0.350 nan 8.380 nan 0.000 0.426 486 E N -1.404 118.651 120.200 -0.242 0.000 2.170 486 E HA 0.044 4.394 4.350 -0.000 0.000 0.191 486 E C 0.926 177.356 176.600 -0.284 0.000 0.981 486 E CA 0.868 57.135 56.400 -0.221 0.000 0.830 486 E CB 0.103 29.686 29.700 -0.195 0.000 0.775 486 E HN 0.536 nan 8.360 nan 0.000 0.470 487 N N -0.196 118.216 118.700 -0.480 0.000 2.397 487 N HA -0.000 4.740 4.740 -0.000 0.000 0.190 487 N C -0.050 175.323 175.510 -0.227 0.000 1.099 487 N CA -0.016 52.766 53.050 -0.445 0.000 0.876 487 N CB 0.576 38.553 38.487 -0.849 0.000 1.143 487 N HN -0.119 nan 8.380 nan 0.000 0.468 488 E N 0.340 120.419 120.200 -0.200 0.000 2.316 488 E HA 0.073 4.423 4.350 -0.000 0.000 0.275 488 E C 0.114 176.820 176.600 0.177 0.000 1.029 488 E CA -0.269 56.144 56.400 0.021 0.000 0.871 488 E CB 0.324 30.048 29.700 0.039 0.000 1.022 488 E HN 0.114 nan 8.360 nan 0.000 0.418 489 F N 5.216 125.220 119.950 0.090 0.000 2.216 489 F HA -0.178 4.349 4.527 -0.000 0.000 0.300 489 F C 1.410 177.297 175.800 0.145 0.000 1.085 489 F CA 1.304 59.359 58.000 0.091 0.000 1.326 489 F CB -0.332 38.719 39.000 0.084 0.000 1.027 489 F HN 0.760 nan 8.300 nan 0.000 0.497 490 Y N 0.504 120.807 120.300 0.004 0.000 2.151 490 Y HA -0.318 4.232 4.550 -0.000 0.000 0.284 490 Y C 2.771 178.562 175.900 -0.181 0.000 1.166 490 Y CA 2.496 60.542 58.100 -0.090 0.000 1.163 490 Y CB -0.736 37.795 38.460 0.119 0.000 0.974 490 Y HN 0.201 nan 8.280 nan 0.000 0.511 491 H N -1.725 117.344 119.070 -0.002 0.000 2.395 491 H HA -0.108 4.448 4.556 -0.000 0.000 0.299 491 H C 2.043 177.237 175.328 -0.222 0.000 1.070 491 H CA 1.495 57.498 56.048 -0.075 0.000 1.356 491 H CB -0.246 29.513 29.762 -0.005 0.000 1.401 491 H HN 0.351 nan 8.280 nan 0.000 0.524 492 T N 1.900 116.370 114.554 -0.139 0.000 2.624 492 T HA -0.186 4.164 4.350 -0.000 0.000 0.268 492 T C 2.340 176.768 174.700 -0.453 0.000 1.041 492 T CA 1.064 63.012 62.100 -0.253 0.000 1.159 492 T CB -0.443 68.299 68.868 -0.210 0.000 0.863 492 T HN 0.216 nan 8.240 nan 0.000 0.434 493 L N 0.173 121.003 121.223 -0.654 0.000 2.012 493 L HA -0.096 4.244 4.340 -0.000 0.000 0.210 493 L C 2.609 179.083 176.870 -0.660 0.000 1.073 493 L CA 1.277 55.679 54.840 -0.731 0.000 0.748 493 L CB -0.651 40.952 42.059 -0.761 0.000 0.891 493 L HN 0.291 nan 8.230 nan 0.000 0.431 494 L N -0.191 120.675 121.223 -0.594 0.000 1.990 494 L HA -0.287 4.053 4.340 -0.000 0.000 0.213 494 L C 2.627 179.267 176.870 -0.383 0.000 1.072 494 L CA 1.660 56.228 54.840 -0.454 0.000 0.755 494 L CB -0.441 41.394 42.059 -0.373 0.000 0.889 494 L HN 0.203 nan 8.230 nan 0.000 0.432 495 K N -0.596 119.607 120.400 -0.329 0.000 2.152 495 K HA -0.161 4.159 4.320 -0.000 0.000 0.206 495 K C 1.957 178.346 176.600 -0.351 0.000 1.048 495 K CA 1.872 57.997 56.287 -0.271 0.000 0.933 495 K CB -0.303 32.082 32.500 -0.192 0.000 0.721 495 K HN 0.515 nan 8.250 nan 0.000 0.447 496 T N -2.755 111.475 114.554 -0.540 0.000 3.043 496 T HA -0.011 4.339 4.350 -0.000 0.000 0.263 496 T C 1.834 176.044 174.700 -0.817 0.000 1.094 496 T CA 1.119 62.797 62.100 -0.703 0.000 1.127 496 T CB -0.125 68.079 68.868 -1.107 0.000 0.905 496 T HN -0.016 nan 8.240 nan 0.000 0.490 497 T N 1.547 115.653 114.554 -0.747 0.000 2.851 497 T HA 0.089 4.439 4.350 -0.000 0.000 0.262 497 T C 1.791 176.327 174.700 -0.274 0.000 1.043 497 T CA 0.997 62.782 62.100 -0.526 0.000 1.140 497 T CB -0.201 68.435 68.868 -0.386 0.000 0.872 497 T HN 0.452 nan 8.240 nan 0.000 0.446 498 K N 1.200 121.452 120.400 -0.246 0.000 2.052 498 K HA -0.195 4.125 4.320 -0.000 0.000 0.215 498 K C -0.901 175.631 176.600 -0.113 0.000 1.053 498 K CA 1.884 58.075 56.287 -0.160 0.000 0.934 498 K CB -0.866 31.544 32.500 -0.149 0.000 0.717 498 K HN 0.230 nan 8.250 nan 0.000 0.450 499 P HA -0.181 nan 4.420 nan 0.000 0.215 499 P C 1.408 178.703 177.300 -0.009 0.000 1.157 499 P CA 1.257 64.321 63.100 -0.060 0.000 0.874 499 P CB -0.023 31.634 31.700 -0.073 0.000 0.790 500 I N -1.360 119.207 120.570 -0.005 0.000 2.394 500 I HA -0.166 4.004 4.170 -0.000 0.000 0.251 500 I C 1.994 178.138 176.117 0.044 0.000 1.136 500 I CA 1.237 62.571 61.300 0.057 0.000 1.425 500 I CB -0.507 37.552 38.000 0.100 0.000 1.079 500 I HN -0.186 nan 8.210 nan 0.000 0.425 501 I N -0.305 120.257 120.570 -0.014 0.000 2.179 501 I HA -0.344 3.826 4.170 -0.000 0.000 0.242 501 I C 2.521 178.633 176.117 -0.008 0.000 1.088 501 I CA 1.599 62.894 61.300 -0.010 0.000 1.357 501 I CB -0.484 37.497 38.000 -0.031 0.000 1.051 501 I HN 0.213 nan 8.210 nan 0.000 0.409 502 M N -0.385 119.204 119.600 -0.018 0.000 2.080 502 M HA -0.286 4.194 4.480 -0.000 0.000 0.260 502 M C 2.545 178.846 176.300 0.002 0.000 1.068 502 M CA 2.030 57.313 55.300 -0.027 0.000 1.109 502 M CB -1.039 31.548 32.600 -0.021 0.000 1.342 502 M HN 0.316 nan 8.290 nan 0.000 0.405 503 H N 0.724 119.770 119.070 -0.041 0.000 2.319 503 H HA -0.085 4.471 4.556 -0.000 0.000 0.299 503 H C 1.801 177.123 175.328 -0.011 0.000 1.092 503 H CA 1.892 57.926 56.048 -0.023 0.000 1.302 503 H CB -0.187 29.570 29.762 -0.007 0.000 1.373 503 H HN 0.248 nan 8.280 nan 0.000 0.497 504 L N -0.670 120.541 121.223 -0.020 0.000 1.988 504 L HA -0.180 4.160 4.340 -0.000 0.000 0.207 504 L C 2.702 179.513 176.870 -0.099 0.000 1.071 504 L CA 1.543 56.374 54.840 -0.016 0.000 0.744 504 L CB -0.473 41.681 42.059 0.160 0.000 0.893 504 L HN 0.328 nan 8.230 nan 0.000 0.433 505 M N -0.201 119.281 119.600 -0.198 0.000 2.192 505 M HA -0.201 4.279 4.480 -0.000 0.000 0.259 505 M C 1.965 178.103 176.300 -0.269 0.000 1.071 505 M CA 1.878 56.922 55.300 -0.427 0.000 1.082 505 M CB -0.915 31.425 32.600 -0.434 0.000 1.373 505 M HN 0.430 nan 8.290 nan 0.000 0.408 506 G N 0.074 108.757 108.800 -0.196 0.000 2.848 506 G HA2 0.216 4.176 3.960 -0.000 0.000 0.208 506 G HA3 0.216 4.176 3.960 -0.000 0.000 0.208 506 G C 0.561 175.371 174.900 -0.150 0.000 1.152 506 G CA -0.084 44.922 45.100 -0.157 0.000 0.789 506 G HN 0.260 nan 8.290 nan 0.000 0.531 507 L N -0.342 120.786 121.223 -0.158 0.000 2.358 507 L HA 0.437 4.777 4.340 -0.000 0.000 0.268 507 L C 0.412 177.244 176.870 -0.063 0.000 1.032 507 L CA -1.055 53.715 54.840 -0.116 0.000 0.805 507 L CB 1.353 43.337 42.059 -0.125 0.000 1.253 507 L HN -0.030 nan 8.230 nan 0.000 0.452 508 E N 1.032 121.209 120.200 -0.038 0.000 2.392 508 E HA -0.080 4.269 4.350 -0.000 0.000 0.264 508 E C 0.550 177.156 176.600 0.011 0.000 1.024 508 E CA -0.051 56.340 56.400 -0.015 0.000 0.903 508 E CB 1.270 30.964 29.700 -0.011 0.000 0.963 508 E HN 0.634 nan 8.360 nan 0.000 0.432 509 E N 3.991 124.206 120.200 0.024 0.000 2.181 509 E HA -0.338 4.012 4.350 -0.000 0.000 0.225 509 E C 1.281 177.910 176.600 0.048 0.000 1.073 509 E CA 2.644 59.074 56.400 0.050 0.000 0.916 509 E CB -0.192 29.532 29.700 0.040 0.000 0.793 509 E HN 0.548 nan 8.360 nan 0.000 0.472 510 N N -1.121 117.597 118.700 0.030 0.000 2.270 510 N HA -0.083 4.657 4.740 -0.000 0.000 0.181 510 N C 1.701 177.228 175.510 0.028 0.000 1.016 510 N CA 1.427 54.493 53.050 0.026 0.000 0.870 510 N CB 0.092 38.589 38.487 0.017 0.000 0.979 510 N HN 0.304 nan 8.380 nan 0.000 0.431 511 V N -1.929 118.000 119.914 0.025 0.000 2.488 511 V HA -0.006 4.114 4.120 -0.000 0.000 0.246 511 V C 2.300 178.419 176.094 0.041 0.000 1.046 511 V CA 0.854 63.170 62.300 0.026 0.000 1.053 511 V CB -0.639 31.191 31.823 0.012 0.000 0.679 511 V HN 0.145 nan 8.190 nan 0.000 0.458 512 M N 0.329 119.959 119.600 0.051 0.000 2.192 512 M HA -0.155 4.325 4.480 -0.000 0.000 0.259 512 M C 2.334 178.704 176.300 0.118 0.000 1.071 512 M CA 1.938 57.298 55.300 0.100 0.000 1.082 512 M CB -0.772 31.915 32.600 0.145 0.000 1.373 512 M HN 0.356 nan 8.290 nan 0.000 0.408 513 R N -0.227 120.321 120.500 0.080 0.000 2.080 513 R HA 0.078 4.417 4.340 -0.000 0.000 0.222 513 R C 1.474 177.802 176.300 0.045 0.000 1.107 513 R CA 0.824 56.958 56.100 0.057 0.000 0.980 513 R CB -1.096 29.223 30.300 0.031 0.000 0.879 513 R HN 0.457 nan 8.270 nan 0.000 0.439 514 N N 1.156 119.880 118.700 0.040 0.000 2.461 514 N HA -0.030 4.710 4.740 -0.000 0.000 0.188 514 N C -0.329 175.204 175.510 0.039 0.000 1.134 514 N CA 0.267 53.336 53.050 0.032 0.000 0.878 514 N CB 0.244 38.745 38.487 0.024 0.000 0.972 514 N HN 0.076 nan 8.380 nan 0.000 0.456 515 S N -0.138 115.596 115.700 0.056 0.000 3.489 515 S HA 0.190 4.660 4.470 -0.000 0.000 0.227 515 S C 1.313 175.953 174.600 0.067 0.000 1.360 515 S CA -0.668 57.571 58.200 0.065 0.000 0.934 515 S CB 0.398 63.649 63.200 0.086 0.000 1.410 515 S HN 0.060 nan 8.310 nan 0.000 0.483 516 T N 1.380 115.962 114.554 0.046 0.000 2.607 516 T HA -0.215 4.135 4.350 -0.000 0.000 0.267 516 T C 1.649 176.373 174.700 0.039 0.000 1.049 516 T CA 1.795 63.918 62.100 0.038 0.000 1.162 516 T CB -0.484 68.395 68.868 0.018 0.000 0.863 516 T HN 0.590 nan 8.240 nan 0.000 0.424 517 E N 1.335 121.553 120.200 0.029 0.000 2.130 517 E HA -0.177 4.173 4.350 -0.000 0.000 0.196 517 E C 2.093 178.709 176.600 0.026 0.000 0.998 517 E CA 1.417 57.828 56.400 0.017 0.000 0.806 517 E CB -0.251 29.456 29.700 0.012 0.000 0.738 517 E HN 0.542 nan 8.360 nan 0.000 0.459 518 E N -0.452 119.783 120.200 0.058 0.000 2.107 518 E HA -0.058 4.292 4.350 -0.000 0.000 0.191 518 E C 2.051 178.698 176.600 0.078 0.000 0.982 518 E CA 0.968 57.416 56.400 0.080 0.000 0.809 518 E CB -0.145 29.641 29.700 0.143 0.000 0.756 518 E HN 0.312 nan 8.360 nan 0.000 0.459 519 L N 0.553 121.841 121.223 0.108 0.000 2.156 519 L HA -0.059 4.281 4.340 -0.000 0.000 0.208 519 L C 2.395 179.330 176.870 0.109 0.000 1.095 519 L CA 1.020 55.958 54.840 0.164 0.000 0.770 519 L CB -0.363 41.857 42.059 0.268 0.000 0.914 519 L HN 0.019 nan 8.230 nan 0.000 0.439 520 K N 1.174 121.605 120.400 0.052 0.000 2.057 520 K HA -0.162 4.158 4.320 -0.000 0.000 0.207 520 K C 2.145 178.711 176.600 -0.057 0.000 1.049 520 K CA 1.317 57.605 56.287 0.001 0.000 0.931 520 K CB -0.101 32.387 32.500 -0.019 0.000 0.714 520 K HN 0.171 nan 8.250 nan 0.000 0.440 521 I N 1.151 121.680 120.570 -0.068 0.000 2.118 521 I HA -0.322 3.848 4.170 -0.000 0.000 0.241 521 I C 2.297 178.333 176.117 -0.135 0.000 1.070 521 I CA 0.871 62.080 61.300 -0.152 0.000 1.327 521 I CB -0.273 37.698 38.000 -0.049 0.000 1.034 521 I HN 0.256 nan 8.210 nan 0.000 0.405 522 L N 0.884 122.100 121.223 -0.011 0.000 2.083 522 L HA -0.227 4.113 4.340 -0.000 0.000 0.209 522 L C 1.933 178.817 176.870 0.024 0.000 1.083 522 L CA 1.937 56.785 54.840 0.012 0.000 0.752 522 L CB -1.064 40.873 42.059 -0.203 0.000 0.899 522 L HN 0.202 nan 8.230 nan 0.000 0.433 523 N N -0.186 118.527 118.700 0.023 0.000 2.043 523 N HA -0.217 4.523 4.740 -0.000 0.000 0.193 523 N C 1.674 177.177 175.510 -0.012 0.000 1.037 523 N CA 1.939 55.010 53.050 0.035 0.000 0.851 523 N CB -0.108 38.394 38.487 0.025 0.000 1.027 523 N HN 0.491 nan 8.380 nan 0.000 0.422 524 E N -1.018 119.108 120.200 -0.122 0.000 2.204 524 E HA -0.177 4.173 4.350 -0.000 0.000 0.195 524 E C 1.527 178.039 176.600 -0.147 0.000 0.990 524 E CA 0.822 57.102 56.400 -0.200 0.000 0.821 524 E CB -0.150 29.326 29.700 -0.373 0.000 0.750 524 E HN 0.574 nan 8.360 nan 0.000 0.477 525 W N 0.479 121.752 121.300 -0.044 0.000 2.453 525 W HA 0.034 4.694 4.660 -0.000 0.000 0.289 525 W C 2.022 178.493 176.519 -0.080 0.000 1.215 525 W CA -0.169 57.131 57.345 -0.076 0.000 1.297 525 W CB 0.006 29.404 29.460 -0.103 0.000 1.113 525 W HN -0.002 nan 8.180 nan 0.000 0.551 526 I N -0.352 120.328 120.570 0.183 0.000 2.113 526 I HA -0.322 3.848 4.170 -0.000 0.000 0.238 526 I C 2.243 178.409 176.117 0.081 0.000 1.070 526 I CA 1.133 62.490 61.300 0.097 0.000 1.332 526 I CB -1.032 37.016 38.000 0.079 0.000 1.044 526 I HN -0.233 nan 8.210 nan 0.000 0.402 527 V N 0.832 120.787 119.914 0.068 0.000 2.282 527 V HA -0.347 3.773 4.120 -0.000 0.000 0.249 527 V C 2.603 178.746 176.094 0.081 0.000 1.057 527 V CA 1.993 64.329 62.300 0.059 0.000 1.032 527 V CB -0.787 31.055 31.823 0.033 0.000 0.645 527 V HN 0.369 nan 8.190 nan 0.000 0.447 528 R N -0.937 119.625 120.500 0.103 0.000 2.073 528 R HA -0.135 4.205 4.340 -0.000 0.000 0.234 528 R C 2.358 178.740 176.300 0.136 0.000 1.134 528 R CA 1.788 57.973 56.100 0.142 0.000 0.952 528 R CB -0.365 30.066 30.300 0.218 0.000 0.850 528 R HN 0.451 nan 8.270 nan 0.000 0.433 529 M N -0.439 119.210 119.600 0.081 0.000 2.213 529 M HA -0.101 4.379 4.480 -0.000 0.000 0.263 529 M C 2.341 178.746 176.300 0.174 0.000 1.062 529 M CA 1.650 56.974 55.300 0.041 0.000 1.105 529 M CB -0.520 32.010 32.600 -0.117 0.000 1.385 529 M HN 0.355 nan 8.290 nan 0.000 0.417 530 G N 0.874 109.739 108.800 0.108 0.000 2.459 530 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.217 530 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.217 530 G C 1.556 176.517 174.900 0.103 0.000 1.183 530 G CA 1.004 46.151 45.100 0.079 0.000 0.776 530 G HN 0.383 nan 8.290 nan 0.000 0.552 531 K N -0.195 120.278 120.400 0.123 0.000 2.074 531 K HA -0.097 4.223 4.320 -0.000 0.000 0.209 531 K C 2.590 179.279 176.600 0.148 0.000 1.048 531 K CA 1.406 57.769 56.287 0.127 0.000 0.926 531 K CB -0.352 32.228 32.500 0.134 0.000 0.713 531 K HN 0.243 nan 8.250 nan 0.000 0.444 532 V N 1.800 121.846 119.914 0.220 0.000 2.307 532 V HA -0.251 3.869 4.120 -0.000 0.000 0.245 532 V C 2.217 178.443 176.094 0.220 0.000 1.045 532 V CA 2.127 64.599 62.300 0.288 0.000 1.024 532 V CB -0.621 31.498 31.823 0.492 0.000 0.651 532 V HN 0.401 nan 8.190 nan 0.000 0.449 533 R N 0.945 121.513 120.500 0.113 0.000 2.276 533 R HA 0.208 4.548 4.340 -0.000 0.000 0.203 533 R C 1.659 177.980 176.300 0.035 0.000 1.017 533 R CA 1.018 57.040 56.100 -0.131 0.000 1.010 533 R CB -0.340 29.605 30.300 -0.592 0.000 0.900 533 R HN 0.487 nan 8.270 nan 0.000 0.469 534 G N -0.429 108.403 108.800 0.053 0.000 2.176 534 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.253 534 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.253 534 G C -0.030 174.967 174.900 0.162 0.000 0.979 534 G CA 0.204 45.342 45.100 0.063 0.000 0.641 534 G HN 0.427 nan 8.290 nan 0.000 0.530 535 S N -1.447 114.293 115.700 0.066 0.000 2.535 535 S HA 0.545 5.015 4.470 -0.000 0.000 0.272 535 S C 0.617 175.197 174.600 -0.032 0.000 1.149 535 S CA -0.120 58.100 58.200 0.034 0.000 0.888 535 S CB 1.525 64.715 63.200 -0.017 0.000 1.110 535 S HN 0.530 nan 8.310 nan 0.000 0.463 536 I N 2.778 123.351 120.570 0.004 0.000 2.353 536 I HA 0.300 4.470 4.170 -0.000 0.000 0.248 536 I C 1.024 177.115 176.117 -0.044 0.000 1.119 536 I CA 1.674 62.972 61.300 -0.004 0.000 1.417 536 I CB -0.173 37.850 38.000 0.037 0.000 1.078 536 I HN 0.739 nan 8.210 nan 0.000 0.421 537 G N 0.000 108.781 108.800 -0.031 0.000 5.446 537 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 537 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 537 G CA 0.000 45.087 45.100 -0.022 0.000 0.502 537 G HN 0.000 nan 8.290 nan 0.000 0.925