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 1t4c_1_B DATA FIRST_RESID 2 DATA SEQUENCE TKPLDGINVL DFTHVQAGPA CTQMMGFLGA NVIKIERRGS GDMTRGWLQD DATA SEQUENCE KPNVDSLYFT MFNCNKRSIE LDMKTPEGKE LLEQMIKKAD VMVENFGPGA DATA SEQUENCE LDRMGFTWEY IQELNPRVIL ASVKGYAEGH ANEHLKVYEN VAQCSGGAAA DATA SEQUENCE TTGFWDGPPT VSGAALGXSN SGMHLMIGIL AALEIRHKTG RGQKVAVAMQ DATA SEQUENCE DAVLNLVRIK LRDQQRLERT GILAEYPQAQ PNFAFDRDGN PLSFDNITSV DATA SEQUENCE PRGGNAGGGG QPGWMLKCKG WETDADSYVY FTIAANMWPQ ICDMIDKPEW DATA SEQUENCE KDDPAYNTFE GRVDKLMDIF SFIETKFADK DKFEVTEWAA QYGIPCGPVM DATA SEQUENCE SMKELAHDPS LQKVGTVVEV VDEIRGNHLT VGAPFKFSGF QPEITRAPLL DATA SEQUENCE GEHTDEVLKE LGLDDAKIKE LHAKQVV 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 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.550 174.700 -0.250 0.000 1.109 2 T CA 0.000 62.040 62.100 -0.099 0.000 1.349 2 T CB 0.000 68.842 68.868 -0.043 0.000 0.612 3 K N 1.561 121.708 120.400 -0.421 0.000 2.592 3 K HA 0.379 4.699 4.320 0.001 0.000 0.265 3 K C -2.834 173.413 176.600 -0.588 0.000 1.006 3 K CA -1.524 54.303 56.287 -0.766 0.000 0.907 3 K CB 2.611 34.836 32.500 -0.457 0.000 1.309 3 K HN -0.261 nan 8.250 nan 0.000 0.452 4 P HA -0.105 nan 4.420 nan 0.000 0.218 4 P C 0.448 177.598 177.300 -0.249 0.000 1.148 4 P CA 1.014 63.866 63.100 -0.414 0.000 0.822 4 P CB 0.307 31.749 31.700 -0.430 0.000 0.784 5 L N -1.374 119.708 121.223 -0.235 0.000 2.910 5 L HA 0.227 4.567 4.340 0.001 0.000 0.252 5 L C 0.128 176.928 176.870 -0.116 0.000 1.195 5 L CA -0.497 54.261 54.840 -0.137 0.000 1.003 5 L CB -0.364 41.634 42.059 -0.103 0.000 1.328 5 L HN -0.182 nan 8.230 nan 0.000 0.540 6 D N 1.931 122.245 120.400 -0.143 0.000 2.658 6 D HA 0.050 4.691 4.640 0.001 0.000 0.230 6 D C 1.383 177.640 176.300 -0.071 0.000 1.118 6 D CA 1.711 55.649 54.000 -0.103 0.000 0.848 6 D CB 1.051 41.785 40.800 -0.111 0.000 1.160 6 D HN 0.438 nan 8.370 nan 0.000 0.497 7 G N 2.763 111.530 108.800 -0.056 0.000 2.184 7 G HA2 -0.271 3.689 3.960 0.001 0.000 0.264 7 G HA3 -0.271 3.689 3.960 0.001 0.000 0.264 7 G C 0.512 175.389 174.900 -0.039 0.000 0.975 7 G CA -0.180 44.895 45.100 -0.042 0.000 0.642 7 G HN 0.510 nan 8.290 nan 0.000 0.536 8 I N 1.516 122.059 120.570 -0.045 0.000 2.452 8 I HA 0.223 4.394 4.170 0.001 0.000 0.287 8 I C 0.419 176.509 176.117 -0.045 0.000 1.079 8 I CA -1.140 60.135 61.300 -0.042 0.000 1.387 8 I CB 0.701 38.674 38.000 -0.045 0.000 1.404 8 I HN 0.236 nan 8.210 nan 0.000 0.522 9 N N 7.233 125.908 118.700 -0.042 0.000 2.419 9 N HA 0.324 5.065 4.740 0.001 0.000 0.277 9 N C -1.265 174.215 175.510 -0.050 0.000 1.006 9 N CA -0.328 52.693 53.050 -0.048 0.000 0.923 9 N CB 1.472 39.933 38.487 -0.042 0.000 1.140 9 N HN 0.244 nan 8.380 nan 0.000 0.488 10 V N 4.057 123.932 119.914 -0.065 0.000 2.378 10 V HA 0.326 4.446 4.120 0.001 0.000 0.288 10 V C -0.032 175.994 176.094 -0.114 0.000 1.016 10 V CA -0.956 61.301 62.300 -0.072 0.000 0.840 10 V CB 1.138 32.917 31.823 -0.072 0.000 0.994 10 V HN 0.538 nan 8.190 nan 0.000 0.431 11 L N 4.534 125.683 121.223 -0.123 0.000 2.363 11 L HA 0.466 4.806 4.340 0.001 0.000 0.286 11 L C -0.129 176.526 176.870 -0.358 0.000 1.106 11 L CA 0.418 55.105 54.840 -0.255 0.000 0.859 11 L CB 0.410 42.352 42.059 -0.194 0.000 1.223 11 L HN 0.672 nan 8.230 nan 0.000 0.446 12 D N 3.728 123.888 120.400 -0.399 0.000 2.373 12 D HA 0.150 4.791 4.640 0.001 0.000 0.227 12 D C 0.278 176.328 176.300 -0.416 0.000 1.091 12 D CA -0.090 53.735 54.000 -0.292 0.000 0.840 12 D CB 0.467 41.160 40.800 -0.178 0.000 1.060 12 D HN 0.409 nan 8.370 nan 0.000 0.502 13 F N 1.074 120.937 119.950 -0.145 0.000 2.727 13 F HA 0.071 4.598 4.527 0.001 0.000 0.302 13 F C 1.536 177.080 175.800 -0.428 0.000 1.097 13 F CA -0.218 57.641 58.000 -0.235 0.000 1.330 13 F CB 0.208 39.044 39.000 -0.272 0.000 1.084 13 F HN 0.214 nan 8.300 nan 0.000 0.578 14 T N -1.147 113.310 114.554 -0.162 0.000 2.899 14 T HA 0.341 4.692 4.350 0.001 0.000 0.295 14 T C -0.375 174.288 174.700 -0.061 0.000 1.033 14 T CA -0.444 61.553 62.100 -0.172 0.000 1.084 14 T CB 0.755 69.577 68.868 -0.076 0.000 0.979 14 T HN 0.494 nan 8.240 nan 0.000 0.532 15 H N -0.936 118.056 119.070 -0.130 0.000 2.946 15 H HA 0.713 5.269 4.556 0.001 0.000 0.365 15 H C -0.022 175.208 175.328 -0.164 0.000 1.197 15 H CA -1.596 54.392 56.048 -0.100 0.000 1.131 15 H CB 1.236 30.974 29.762 -0.039 0.000 1.849 15 H HN 0.584 nan 8.280 nan 0.000 0.555 16 V N -1.361 118.423 119.914 -0.218 0.000 0.690 16 V HA -0.424 3.696 4.120 0.001 0.000 0.092 16 V C 1.438 177.208 176.094 -0.541 0.000 0.788 16 V CA 1.486 63.486 62.300 -0.499 0.000 3.100 16 V CB -1.672 29.876 31.823 -0.457 0.000 0.194 16 V HN 1.025 nan 8.190 nan 0.000 0.098 17 Q N -0.625 118.908 119.800 -0.444 0.000 2.481 17 Q HA 0.365 4.706 4.340 0.001 0.000 0.219 17 Q C 2.029 177.930 176.000 -0.165 0.000 0.920 17 Q CA 1.034 56.550 55.803 -0.478 0.000 0.915 17 Q CB 0.370 28.856 28.738 -0.419 0.000 1.057 17 Q HN 0.956 nan 8.270 nan 0.000 0.581 18 A N 0.667 123.435 122.820 -0.086 0.000 1.858 18 A HA -0.065 4.256 4.320 0.001 0.000 0.216 18 A C 2.122 179.713 177.584 0.012 0.000 1.190 18 A CA 1.780 53.815 52.037 -0.004 0.000 0.617 18 A CB -1.331 17.671 19.000 0.003 0.000 0.827 18 A HN 0.549 nan 8.150 nan 0.000 0.443 19 G N -0.137 108.660 108.800 -0.004 0.000 2.434 19 G HA2 -0.099 3.862 3.960 0.001 0.000 0.214 19 G HA3 -0.099 3.862 3.960 0.001 0.000 0.214 19 G C -0.324 174.571 174.900 -0.008 0.000 1.202 19 G CA 1.241 46.338 45.100 -0.005 0.000 0.788 19 G HN 0.481 nan 8.290 nan 0.000 0.539 20 P HA -0.037 nan 4.420 nan 0.000 0.218 20 P C 2.090 179.417 177.300 0.045 0.000 1.148 20 P CA 1.806 64.900 63.100 -0.011 0.000 0.822 20 P CB -0.111 31.567 31.700 -0.036 0.000 0.784 21 A N -0.939 121.960 122.820 0.132 0.000 1.902 21 A HA -0.264 4.056 4.320 0.001 0.000 0.217 21 A C 2.485 180.081 177.584 0.019 0.000 1.181 21 A CA 1.905 54.044 52.037 0.169 0.000 0.623 21 A CB -1.826 17.319 19.000 0.242 0.000 0.818 21 A HN 0.336 nan 8.150 nan 0.000 0.443 22 C N -0.159 119.153 119.300 0.020 0.000 2.446 22 C HA -0.079 4.382 4.460 0.001 0.000 0.277 22 C C 3.183 178.146 174.990 -0.045 0.000 1.275 22 C CA 2.237 61.256 59.018 0.001 0.000 1.727 22 C CB -1.416 26.333 27.740 0.015 0.000 2.010 22 C HN 0.734 nan 8.230 nan 0.000 0.486 23 T N -1.300 113.217 114.554 -0.061 0.000 2.904 23 T HA -0.205 4.145 4.350 0.001 0.000 0.267 23 T C 1.892 176.501 174.700 -0.153 0.000 1.059 23 T CA 1.743 63.790 62.100 -0.090 0.000 1.137 23 T CB -0.681 68.137 68.868 -0.083 0.000 0.879 23 T HN 0.793 nan 8.240 nan 0.000 0.467 24 Q N 0.072 119.747 119.800 -0.208 0.000 2.050 24 Q HA -0.123 4.217 4.340 0.001 0.000 0.202 24 Q C 2.332 177.946 176.000 -0.644 0.000 0.980 24 Q CA 1.620 57.174 55.803 -0.416 0.000 0.840 24 Q CB -0.284 28.183 28.738 -0.452 0.000 0.898 24 Q HN 0.476 nan 8.270 nan 0.000 0.424 25 M N -0.083 119.261 119.600 -0.426 0.000 2.229 25 M HA -0.086 4.394 4.480 0.001 0.000 0.264 25 M C 1.774 178.029 176.300 -0.074 0.000 1.063 25 M CA 1.573 56.713 55.300 -0.268 0.000 1.114 25 M CB -0.052 32.553 32.600 0.008 0.000 1.387 25 M HN 0.300 nan 8.290 nan 0.000 0.420 26 M N -1.192 118.359 119.600 -0.082 0.000 2.117 26 M HA -0.067 4.413 4.480 0.001 0.000 0.262 26 M C 2.122 178.408 176.300 -0.023 0.000 1.065 26 M CA 1.664 56.941 55.300 -0.038 0.000 1.114 26 M CB -1.041 31.528 32.600 -0.051 0.000 1.361 26 M HN 0.483 nan 8.290 nan 0.000 0.408 27 G N -0.007 108.752 108.800 -0.069 0.000 2.418 27 G HA2 -0.194 3.767 3.960 0.001 0.000 0.217 27 G HA3 -0.194 3.767 3.960 0.001 0.000 0.217 27 G C 1.164 176.171 174.900 0.179 0.000 1.158 27 G CA 0.524 45.623 45.100 -0.002 0.000 0.771 27 G HN 0.275 nan 8.290 nan 0.000 0.545 28 F N 0.913 120.887 119.950 0.039 0.000 2.161 28 F HA 0.079 4.607 4.527 0.001 0.000 0.300 28 F C 2.409 178.290 175.800 0.134 0.000 1.089 28 F CA 0.114 58.163 58.000 0.081 0.000 1.282 28 F CB -0.707 38.357 39.000 0.107 0.000 1.010 28 F HN 0.058 nan 8.300 nan 0.000 0.485 29 L N -0.860 120.539 121.223 0.294 0.000 2.627 29 L HA 0.185 4.525 4.340 0.001 0.000 0.233 29 L C 1.708 178.528 176.870 -0.083 0.000 1.144 29 L CA 0.862 55.765 54.840 0.105 0.000 0.892 29 L CB -0.901 41.169 42.059 0.018 0.000 1.039 29 L HN 0.426 nan 8.230 nan 0.000 0.442 30 G N -0.485 108.314 108.800 -0.002 0.000 2.231 30 G HA2 -0.217 3.743 3.960 0.001 0.000 0.206 30 G HA3 -0.217 3.743 3.960 0.001 0.000 0.206 30 G C 0.511 175.383 174.900 -0.048 0.000 0.996 30 G CA -0.136 44.932 45.100 -0.054 0.000 0.645 30 G HN 0.458 nan 8.290 nan 0.000 0.498 31 A N 0.257 123.052 122.820 -0.042 0.000 2.520 31 A HA 0.441 4.762 4.320 0.001 0.000 0.235 31 A C 0.665 178.222 177.584 -0.045 0.000 1.065 31 A CA 0.705 52.713 52.037 -0.048 0.000 0.764 31 A CB 0.139 19.109 19.000 -0.050 0.000 1.002 31 A HN 0.559 nan 8.150 nan 0.000 0.502 32 N N 2.198 120.866 118.700 -0.053 0.000 2.602 32 N HA 0.267 5.008 4.740 0.001 0.000 0.238 32 N C -1.096 174.370 175.510 -0.074 0.000 1.084 32 N CA -0.083 52.931 53.050 -0.060 0.000 0.952 32 N CB 0.450 38.903 38.487 -0.057 0.000 1.244 32 N HN 0.308 nan 8.380 nan 0.000 0.512 33 V N 5.367 125.232 119.914 -0.081 0.000 2.383 33 V HA 0.374 4.495 4.120 0.001 0.000 0.275 33 V C 0.484 176.511 176.094 -0.112 0.000 1.036 33 V CA -0.495 61.747 62.300 -0.095 0.000 0.889 33 V CB 1.051 32.818 31.823 -0.094 0.000 0.985 33 V HN 0.423 nan 8.190 nan 0.000 0.459 34 I N 5.300 125.795 120.570 -0.126 0.000 2.390 34 I HA 0.371 4.541 4.170 0.001 0.000 0.283 34 I C 0.170 176.192 176.117 -0.158 0.000 1.016 34 I CA -0.277 60.944 61.300 -0.131 0.000 1.151 34 I CB 1.229 39.153 38.000 -0.128 0.000 1.293 34 I HN 0.495 nan 8.210 nan 0.000 0.458 35 K N 6.800 127.133 120.400 -0.111 0.000 2.276 35 K HA 0.499 4.819 4.320 0.001 0.000 0.285 35 K C -0.753 175.789 176.600 -0.097 0.000 1.062 35 K CA -0.493 55.731 56.287 -0.104 0.000 0.918 35 K CB 0.737 33.225 32.500 -0.021 0.000 1.055 35 K HN 0.463 nan 8.250 nan 0.000 0.477 36 I N 4.044 124.514 120.570 -0.167 0.000 2.365 36 I HA 0.148 4.319 4.170 0.001 0.000 0.291 36 I C -0.041 176.083 176.117 0.011 0.000 1.004 36 I CA 0.076 61.317 61.300 -0.098 0.000 1.311 36 I CB 1.376 39.271 38.000 -0.175 0.000 1.401 36 I HN 0.585 nan 8.210 nan 0.000 0.491 37 E N 4.649 124.877 120.200 0.046 0.000 2.317 37 E HA 0.433 4.784 4.350 0.001 0.000 0.270 37 E C -0.825 175.822 176.600 0.078 0.000 0.885 37 E CA -1.355 55.088 56.400 0.072 0.000 0.760 37 E CB 2.098 31.836 29.700 0.063 0.000 1.227 37 E HN 0.292 nan 8.360 nan 0.000 0.434 38 R N 1.790 122.345 120.500 0.091 0.000 2.538 38 R HA -0.002 4.338 4.340 0.001 0.000 0.282 38 R C -0.133 176.199 176.300 0.053 0.000 1.009 38 R CA 0.286 56.435 56.100 0.081 0.000 1.063 38 R CB 0.275 30.632 30.300 0.096 0.000 0.945 38 R HN 0.367 nan 8.270 nan 0.000 0.414 39 R N 3.010 123.536 120.500 0.044 0.000 2.480 39 R HA 0.076 4.417 4.340 0.001 0.000 0.303 39 R C 0.804 177.123 176.300 0.031 0.000 0.985 39 R CA 1.547 57.667 56.100 0.033 0.000 1.051 39 R CB 0.274 30.591 30.300 0.029 0.000 0.935 39 R HN 1.019 nan 8.270 nan 0.000 0.410 40 G N 1.242 110.056 108.800 0.025 0.000 2.611 40 G HA2 -0.361 3.599 3.960 0.001 0.000 0.208 40 G HA3 -0.361 3.599 3.960 0.001 0.000 0.208 40 G C 0.727 175.632 174.900 0.009 0.000 1.201 40 G CA 0.325 45.436 45.100 0.018 0.000 0.739 40 G HN 0.634 nan 8.290 nan 0.000 0.528 41 S N 0.429 116.137 115.700 0.014 0.000 2.599 41 S HA 0.509 4.979 4.470 0.001 0.000 0.236 41 S C 2.130 176.726 174.600 -0.007 0.000 1.077 41 S CA 1.467 59.670 58.200 0.004 0.000 0.906 41 S CB 0.435 63.648 63.200 0.021 0.000 0.804 41 S HN 2.610 nan 8.310 nan 0.000 0.497 42 G N 2.264 111.076 108.800 0.020 0.000 2.601 42 G HA2 -0.255 3.706 3.960 0.001 0.000 0.261 42 G HA3 -0.255 3.706 3.960 0.001 0.000 0.261 42 G C -0.656 174.275 174.900 0.052 0.000 1.289 42 G CA 0.082 45.199 45.100 0.029 0.000 0.920 42 G HN 0.569 nan 8.290 nan 0.000 0.571 43 D N 1.458 121.894 120.400 0.060 0.000 2.531 43 D HA 0.113 4.753 4.640 0.001 0.000 0.239 43 D C 2.112 178.441 176.300 0.049 0.000 1.144 43 D CA 0.515 54.578 54.000 0.105 0.000 0.869 43 D CB 0.325 41.232 40.800 0.178 0.000 1.160 43 D HN 0.568 nan 8.370 nan 0.000 0.484 44 M N 2.203 121.858 119.600 0.093 0.000 2.460 44 M HA -0.126 4.354 4.480 0.001 0.000 0.263 44 M C 1.300 177.723 176.300 0.204 0.000 1.071 44 M CA 1.171 56.562 55.300 0.153 0.000 1.096 44 M CB -0.936 31.792 32.600 0.213 0.000 1.408 44 M HN 0.272 nan 8.290 nan 0.000 0.463 45 T N -1.057 113.456 114.554 -0.069 0.000 2.929 45 T HA -0.051 4.300 4.350 0.001 0.000 0.271 45 T C 1.836 176.500 174.700 -0.061 0.000 1.085 45 T CA 1.091 62.981 62.100 -0.351 0.000 1.125 45 T CB -0.478 67.976 68.868 -0.690 0.000 0.874 45 T HN 0.547 nan 8.240 nan 0.000 0.494 46 R N 1.183 121.638 120.500 -0.075 0.000 2.091 46 R HA -0.004 4.337 4.340 0.001 0.000 0.238 46 R C 2.516 178.803 176.300 -0.021 0.000 1.136 46 R CA 1.472 57.464 56.100 -0.181 0.000 0.959 46 R CB -0.571 29.508 30.300 -0.368 0.000 0.856 46 R HN 0.542 nan 8.270 nan 0.000 0.437 47 G N -0.861 107.975 108.800 0.060 0.000 3.434 47 G HA2 -0.034 3.927 3.960 0.001 0.000 0.258 47 G HA3 -0.034 3.927 3.960 0.001 0.000 0.258 47 G C -0.936 174.103 174.900 0.231 0.000 1.128 47 G CA -0.509 44.655 45.100 0.108 0.000 0.792 47 G HN 0.176 nan 8.290 nan 0.000 0.539 48 W N 0.975 122.292 121.300 0.028 0.000 2.411 48 W HA 0.568 5.228 4.660 0.001 0.000 0.317 48 W C -0.000 176.591 176.519 0.120 0.000 1.030 48 W CA -2.174 55.210 57.345 0.066 0.000 1.239 48 W CB -0.043 29.444 29.460 0.044 0.000 1.304 48 W HN 0.035 nan 8.180 nan 0.000 0.437 49 L N 4.821 126.294 121.223 0.417 0.000 3.597 49 L HA -0.305 4.036 4.340 0.001 0.000 0.440 49 L C 0.738 177.705 176.870 0.162 0.000 1.277 49 L CA 0.514 55.507 54.840 0.255 0.000 0.852 49 L CB -1.575 40.635 42.059 0.251 0.000 1.708 49 L HN 0.567 nan 8.230 nan 0.000 0.885 50 Q N 1.026 120.910 119.800 0.140 0.000 2.361 50 Q HA 0.013 4.354 4.340 0.001 0.000 0.276 50 Q C 1.368 177.412 176.000 0.074 0.000 1.022 50 Q CA 0.639 56.499 55.803 0.095 0.000 0.898 50 Q CB 0.751 29.534 28.738 0.076 0.000 1.246 50 Q HN 0.415 nan 8.270 nan 0.000 0.410 51 D N 1.407 121.843 120.400 0.060 0.000 2.338 51 D HA 0.004 4.644 4.640 0.001 0.000 0.208 51 D C -0.297 176.029 176.300 0.043 0.000 0.997 51 D CA 0.586 54.616 54.000 0.051 0.000 0.880 51 D CB 0.565 41.394 40.800 0.048 0.000 0.980 51 D HN 0.249 nan 8.370 nan 0.000 0.509 52 K N 1.240 121.663 120.400 0.040 0.000 2.318 52 K HA 0.483 4.804 4.320 0.001 0.000 0.249 52 K C -2.741 173.878 176.600 0.031 0.000 0.942 52 K CA -1.980 54.327 56.287 0.033 0.000 0.808 52 K CB 2.389 34.908 32.500 0.031 0.000 1.189 52 K HN -0.093 nan 8.250 nan 0.000 0.428 53 P HA 0.080 nan 4.420 nan 0.000 0.278 53 P C -0.692 176.618 177.300 0.017 0.000 1.238 53 P CA -0.153 62.961 63.100 0.023 0.000 0.794 53 P CB 0.378 32.090 31.700 0.020 0.000 0.955 54 N N -1.280 117.428 118.700 0.013 0.000 2.741 54 N HA -0.105 4.635 4.740 0.001 0.000 0.251 54 N C -0.680 174.831 175.510 0.002 0.000 1.112 54 N CA 0.775 53.828 53.050 0.005 0.000 0.750 54 N CB -1.779 36.711 38.487 0.004 0.000 1.119 54 N HN 0.242 nan 8.380 nan 0.000 0.561 55 V N 0.469 120.388 119.914 0.008 0.000 2.588 55 V HA 0.253 4.373 4.120 0.001 0.000 0.304 55 V C 0.155 176.253 176.094 0.007 0.000 1.042 55 V CA -1.091 61.214 62.300 0.010 0.000 0.877 55 V CB 2.404 34.241 31.823 0.022 0.000 0.996 55 V HN -0.029 nan 8.190 nan 0.000 0.425 56 D N 2.870 123.264 120.400 -0.009 0.000 2.525 56 D HA 0.085 4.725 4.640 0.001 0.000 0.235 56 D C 0.749 177.085 176.300 0.060 0.000 1.137 56 D CA 0.435 54.424 54.000 -0.018 0.000 0.868 56 D CB 1.112 41.887 40.800 -0.042 0.000 1.180 56 D HN 0.748 nan 8.370 nan 0.000 0.465 57 S N 1.772 117.524 115.700 0.087 0.000 2.617 57 S HA 0.106 4.576 4.470 0.001 0.000 0.259 57 S C 1.478 176.147 174.600 0.114 0.000 1.301 57 S CA -0.634 57.630 58.200 0.106 0.000 0.984 57 S CB 0.675 63.956 63.200 0.134 0.000 0.954 57 S HN 0.460 nan 8.310 nan 0.000 0.572 58 L N 0.223 121.492 121.223 0.076 0.000 2.217 58 L HA -0.007 4.334 4.340 0.001 0.000 0.211 58 L C 2.296 179.252 176.870 0.143 0.000 1.107 58 L CA 1.137 55.994 54.840 0.029 0.000 0.783 58 L CB -0.537 41.533 42.059 0.017 0.000 0.919 58 L HN 0.841 nan 8.230 nan 0.000 0.442 59 Y N -0.536 119.771 120.300 0.011 0.000 2.165 59 Y HA -0.391 4.160 4.550 0.001 0.000 0.286 59 Y C 2.515 178.461 175.900 0.076 0.000 1.155 59 Y CA 1.514 59.608 58.100 -0.010 0.000 1.164 59 Y CB -0.007 38.295 38.460 -0.264 0.000 0.978 59 Y HN 0.182 nan 8.280 nan 0.000 0.513 60 F N 0.839 120.821 119.950 0.053 0.000 2.187 60 F HA -0.179 4.348 4.527 0.001 0.000 0.295 60 F C 2.559 178.396 175.800 0.062 0.000 1.091 60 F CA 1.841 59.831 58.000 -0.017 0.000 1.308 60 F CB -0.503 38.466 39.000 -0.051 0.000 1.030 60 F HN -0.003 nan 8.300 nan 0.000 0.487 61 T N -1.500 113.062 114.554 0.013 0.000 2.904 61 T HA -0.133 4.217 4.350 0.001 0.000 0.267 61 T C 1.761 176.429 174.700 -0.054 0.000 1.059 61 T CA 1.357 63.385 62.100 -0.120 0.000 1.137 61 T CB -0.484 68.242 68.868 -0.238 0.000 0.879 61 T HN 0.344 nan 8.240 nan 0.000 0.467 62 M N -0.314 119.296 119.600 0.017 0.000 2.618 62 M HA 0.328 4.808 4.480 0.001 0.000 0.240 62 M C 0.403 176.549 176.300 -0.256 0.000 1.123 62 M CA 0.717 56.013 55.300 -0.007 0.000 1.060 62 M CB -0.012 32.581 32.600 -0.012 0.000 1.535 62 M HN 0.193 nan 8.290 nan 0.000 0.507 63 F N -0.621 119.261 119.950 -0.113 0.000 2.688 63 F HA 0.256 4.783 4.527 0.001 0.000 0.310 63 F C 0.846 176.464 175.800 -0.304 0.000 1.098 63 F CA -0.117 57.780 58.000 -0.172 0.000 1.228 63 F CB 0.429 39.345 39.000 -0.139 0.000 1.042 63 F HN 0.105 nan 8.300 nan 0.000 0.557 64 N N -1.045 117.493 118.700 -0.271 0.000 2.217 64 N HA 0.115 4.855 4.740 0.001 0.000 0.239 64 N C -0.460 174.919 175.510 -0.220 0.000 1.330 64 N CA 0.076 52.895 53.050 -0.386 0.000 0.838 64 N CB 0.362 38.304 38.487 -0.908 0.000 1.287 64 N HN 0.004 nan 8.380 nan 0.000 0.498 65 C N 1.446 120.703 119.300 -0.072 0.000 2.775 65 C HA 0.033 4.493 4.460 0.001 0.000 0.391 65 C C 1.430 176.458 174.990 0.063 0.000 1.295 65 C CA 0.230 59.295 59.018 0.077 0.000 2.119 65 C CB -0.685 27.206 27.740 0.252 0.000 2.705 65 C HN 0.564 nan 8.230 nan 0.000 0.710 66 N N 0.261 119.031 118.700 0.117 0.000 2.735 66 N HA -0.179 4.562 4.740 0.001 0.000 0.248 66 N C -0.984 174.520 175.510 -0.010 0.000 1.083 66 N CA 1.282 54.385 53.050 0.088 0.000 0.703 66 N CB -0.947 37.663 38.487 0.206 0.000 1.005 66 N HN 0.749 nan 8.380 nan 0.000 0.550 67 K N -0.235 120.145 120.400 -0.032 0.000 2.512 67 K HA 0.530 4.851 4.320 0.001 0.000 0.263 67 K C -0.288 176.256 176.600 -0.093 0.000 0.966 67 K CA -0.847 55.398 56.287 -0.070 0.000 0.851 67 K CB 2.442 34.901 32.500 -0.069 0.000 1.395 67 K HN -0.024 nan 8.250 nan 0.000 0.440 68 R N 0.379 120.777 120.500 -0.170 0.000 2.668 68 R HA 0.406 4.747 4.340 0.001 0.000 0.279 68 R C -0.580 175.732 176.300 0.021 0.000 0.976 68 R CA -0.812 55.136 56.100 -0.255 0.000 0.978 68 R CB 1.978 31.943 30.300 -0.558 0.000 1.133 68 R HN 0.479 nan 8.270 nan 0.000 0.484 69 S N 2.005 117.842 115.700 0.227 0.000 2.451 69 S HA 0.507 4.978 4.470 0.001 0.000 0.301 69 S C -0.606 174.077 174.600 0.139 0.000 1.116 69 S CA -0.773 57.527 58.200 0.167 0.000 1.093 69 S CB 0.637 63.952 63.200 0.192 0.000 1.017 69 S HN 0.524 nan 8.310 nan 0.000 0.482 70 I N 3.409 124.018 120.570 0.065 0.000 2.509 70 I HA 0.555 4.725 4.170 0.001 0.000 0.293 70 I C -0.544 175.591 176.117 0.029 0.000 1.020 70 I CA -0.570 60.757 61.300 0.044 0.000 1.088 70 I CB 1.715 39.722 38.000 0.011 0.000 1.267 70 I HN 0.620 nan 8.210 nan 0.000 0.430 71 E N 6.062 126.278 120.200 0.027 0.000 2.277 71 E HA 0.577 4.927 4.350 0.001 0.000 0.274 71 E C -1.473 175.131 176.600 0.006 0.000 1.022 71 E CA -0.620 55.794 56.400 0.023 0.000 0.853 71 E CB 2.043 31.759 29.700 0.026 0.000 1.086 71 E HN 0.427 nan 8.360 nan 0.000 0.397 72 L N 2.595 123.832 121.223 0.022 0.000 2.641 72 L HA 0.182 4.523 4.340 0.001 0.000 0.261 72 L C -1.719 175.175 176.870 0.041 0.000 0.926 72 L CA -0.396 54.457 54.840 0.022 0.000 0.917 72 L CB 2.026 44.101 42.059 0.027 0.000 1.361 72 L HN 0.411 nan 8.230 nan 0.000 0.417 73 D N 5.006 125.425 120.400 0.030 0.000 2.393 73 D HA 0.202 4.843 4.640 0.001 0.000 0.232 73 D C 0.791 177.117 176.300 0.044 0.000 1.192 73 D CA -0.108 53.913 54.000 0.035 0.000 0.882 73 D CB 1.105 41.920 40.800 0.025 0.000 1.038 73 D HN 0.669 nan 8.370 nan 0.000 0.499 74 M N 2.471 122.102 119.600 0.052 0.000 2.619 74 M HA -0.006 4.475 4.480 0.001 0.000 0.251 74 M C 1.625 177.962 176.300 0.063 0.000 1.106 74 M CA 0.586 55.926 55.300 0.066 0.000 1.086 74 M CB 0.390 33.026 32.600 0.060 0.000 1.465 74 M HN 0.107 nan 8.290 nan 0.000 0.506 75 K N -0.631 119.791 120.400 0.036 0.000 2.444 75 K HA 0.106 4.426 4.320 0.001 0.000 0.193 75 K C 0.102 176.720 176.600 0.030 0.000 1.024 75 K CA 0.441 56.743 56.287 0.026 0.000 1.077 75 K CB 0.054 32.559 32.500 0.008 0.000 0.833 75 K HN 0.150 nan 8.250 nan 0.000 0.517 76 T N 2.535 117.113 114.554 0.039 0.000 2.799 76 T HA 0.130 4.480 4.350 0.001 0.000 0.286 76 T C -1.846 172.883 174.700 0.048 0.000 0.973 76 T CA -1.740 60.381 62.100 0.035 0.000 1.035 76 T CB 1.735 70.622 68.868 0.031 0.000 0.932 76 T HN -0.129 nan 8.240 nan 0.000 0.469 77 P HA -0.180 nan 4.420 nan 0.000 0.217 77 P C 1.111 178.445 177.300 0.056 0.000 1.158 77 P CA 1.346 64.471 63.100 0.042 0.000 0.887 77 P CB 0.290 32.005 31.700 0.025 0.000 0.792 78 E N -0.976 119.250 120.200 0.043 0.000 2.150 78 E HA -0.060 4.291 4.350 0.001 0.000 0.193 78 E C 2.313 178.942 176.600 0.049 0.000 0.985 78 E CA 1.425 57.849 56.400 0.040 0.000 0.814 78 E CB -1.174 28.540 29.700 0.024 0.000 0.752 78 E HN 0.286 nan 8.360 nan 0.000 0.466 79 G N 0.659 109.491 108.800 0.054 0.000 2.421 79 G HA2 -0.227 3.734 3.960 0.001 0.000 0.217 79 G HA3 -0.227 3.734 3.960 0.001 0.000 0.217 79 G C 1.370 176.333 174.900 0.104 0.000 1.143 79 G CA 0.423 45.560 45.100 0.062 0.000 0.784 79 G HN 0.128 nan 8.290 nan 0.000 0.541 80 K N 0.174 120.667 120.400 0.154 0.000 2.103 80 K HA 0.047 4.367 4.320 0.001 0.000 0.204 80 K C 2.294 179.054 176.600 0.267 0.000 1.052 80 K CA 0.930 57.391 56.287 0.290 0.000 0.945 80 K CB -0.050 32.632 32.500 0.303 0.000 0.722 80 K HN 0.307 nan 8.250 nan 0.000 0.443 81 E N 0.732 121.029 120.200 0.162 0.000 2.051 81 E HA -0.152 4.198 4.350 0.001 0.000 0.192 81 E C 1.876 178.536 176.600 0.099 0.000 0.991 81 E CA 0.921 57.397 56.400 0.126 0.000 0.799 81 E CB 0.028 29.776 29.700 0.081 0.000 0.748 81 E HN 0.195 nan 8.360 nan 0.000 0.449 82 L N 0.755 122.021 121.223 0.071 0.000 2.083 82 L HA -0.204 4.137 4.340 0.001 0.000 0.209 82 L C 2.499 179.388 176.870 0.033 0.000 1.083 82 L CA 0.624 55.488 54.840 0.041 0.000 0.752 82 L CB -0.282 41.791 42.059 0.022 0.000 0.899 82 L HN 0.278 nan 8.230 nan 0.000 0.433 83 L N -0.269 120.980 121.223 0.043 0.000 2.046 83 L HA -0.227 4.114 4.340 0.001 0.000 0.208 83 L C 2.501 179.365 176.870 -0.009 0.000 1.077 83 L CA 1.663 56.487 54.840 -0.026 0.000 0.747 83 L CB -0.351 41.610 42.059 -0.164 0.000 0.896 83 L HN 0.378 nan 8.230 nan 0.000 0.432 84 E N -0.592 119.676 120.200 0.113 0.000 2.077 84 E HA -0.264 4.086 4.350 0.001 0.000 0.193 84 E C 2.145 178.773 176.600 0.047 0.000 0.989 84 E CA 1.115 57.594 56.400 0.130 0.000 0.800 84 E CB -0.017 29.798 29.700 0.192 0.000 0.746 84 E HN 0.561 nan 8.360 nan 0.000 0.452 85 Q N -0.059 119.765 119.800 0.040 0.000 2.124 85 Q HA -0.131 4.209 4.340 0.001 0.000 0.202 85 Q C 2.109 178.109 176.000 -0.000 0.000 0.977 85 Q CA 1.312 57.126 55.803 0.018 0.000 0.850 85 Q CB -0.063 28.686 28.738 0.019 0.000 0.901 85 Q HN 0.325 nan 8.270 nan 0.000 0.429 86 M N -0.237 119.358 119.600 -0.007 0.000 2.254 86 M HA -0.089 4.391 4.480 0.001 0.000 0.265 86 M C 1.968 178.254 176.300 -0.024 0.000 1.066 86 M CA 1.136 56.421 55.300 -0.026 0.000 1.123 86 M CB 0.032 32.604 32.600 -0.047 0.000 1.388 86 M HN 0.186 nan 8.290 nan 0.000 0.425 87 I N 0.004 120.565 120.570 -0.014 0.000 2.394 87 I HA -0.265 3.906 4.170 0.001 0.000 0.251 87 I C 2.054 178.163 176.117 -0.012 0.000 1.136 87 I CA 1.261 62.559 61.300 -0.004 0.000 1.425 87 I CB -0.213 37.785 38.000 -0.003 0.000 1.079 87 I HN 0.233 nan 8.210 nan 0.000 0.425 88 K N 0.593 120.982 120.400 -0.018 0.000 2.283 88 K HA -0.097 4.223 4.320 0.001 0.000 0.202 88 K C 1.832 178.421 176.600 -0.018 0.000 1.048 88 K CA 0.901 57.175 56.287 -0.022 0.000 0.948 88 K CB 0.100 32.588 32.500 -0.020 0.000 0.742 88 K HN 0.235 nan 8.250 nan 0.000 0.458 89 K N 0.080 120.469 120.400 -0.018 0.000 2.356 89 K HA 0.143 4.463 4.320 0.001 0.000 0.195 89 K C 0.409 176.995 176.600 -0.022 0.000 1.037 89 K CA -0.066 56.209 56.287 -0.020 0.000 1.014 89 K CB 0.640 33.127 32.500 -0.022 0.000 0.815 89 K HN 0.030 nan 8.250 nan 0.000 0.507 90 A N 1.485 124.294 122.820 -0.019 0.000 2.371 90 A HA 0.089 4.409 4.320 0.001 0.000 0.257 90 A C -0.186 177.393 177.584 -0.008 0.000 1.089 90 A CA -0.192 51.835 52.037 -0.017 0.000 0.794 90 A CB 0.359 19.355 19.000 -0.007 0.000 1.029 90 A HN 0.084 nan 8.150 nan 0.000 0.488 91 D N -0.479 119.913 120.400 -0.013 0.000 2.259 91 D HA 0.210 4.850 4.640 0.001 0.000 0.216 91 D C 0.357 176.663 176.300 0.009 0.000 0.961 91 D CA 1.231 55.225 54.000 -0.009 0.000 0.878 91 D CB 0.431 41.217 40.800 -0.024 0.000 1.009 91 D HN 0.387 nan 8.370 nan 0.000 0.490 92 V N 0.115 120.033 119.914 0.008 0.000 2.925 92 V HA 0.538 4.658 4.120 0.001 0.000 0.311 92 V C -1.872 174.247 176.094 0.041 0.000 1.104 92 V CA -0.786 61.531 62.300 0.028 0.000 0.954 92 V CB 1.987 33.816 31.823 0.010 0.000 1.022 92 V HN -0.050 nan 8.190 nan 0.000 0.427 93 M N 6.217 125.872 119.600 0.092 0.000 2.053 93 M HA 0.517 4.998 4.480 0.001 0.000 0.297 93 M C -1.237 175.168 176.300 0.176 0.000 0.921 93 M CA -0.593 54.806 55.300 0.164 0.000 0.918 93 M CB 1.755 34.511 32.600 0.261 0.000 1.499 93 M HN 0.488 nan 8.290 nan 0.000 0.422 94 V N 2.276 122.278 119.914 0.147 0.000 2.472 94 V HA 0.611 4.731 4.120 0.001 0.000 0.290 94 V C -0.060 176.111 176.094 0.129 0.000 1.037 94 V CA -0.490 61.863 62.300 0.089 0.000 0.908 94 V CB 1.725 33.559 31.823 0.019 0.000 0.985 94 V HN 0.768 nan 8.190 nan 0.000 0.454 95 E N 4.321 124.545 120.200 0.041 0.000 2.366 95 E HA 0.355 4.705 4.350 0.001 0.000 0.278 95 E C -1.779 174.751 176.600 -0.116 0.000 0.923 95 E CA -0.610 55.742 56.400 -0.081 0.000 0.761 95 E CB 2.490 32.165 29.700 -0.043 0.000 1.231 95 E HN 0.772 nan 8.360 nan 0.000 0.443 96 N N 3.643 122.198 118.700 -0.241 0.000 2.687 96 N HA 0.158 4.898 4.740 0.001 0.000 0.275 96 N C -0.952 174.569 175.510 0.018 0.000 1.789 96 N CA -0.428 52.589 53.050 -0.055 0.000 0.806 96 N CB -0.862 37.643 38.487 0.031 0.000 1.256 96 N HN 0.369 nan 8.380 nan 0.000 0.500 97 F N 0.863 120.865 119.950 0.086 0.000 2.721 97 F HA 0.384 4.912 4.527 0.001 0.000 0.301 97 F C 1.418 177.291 175.800 0.121 0.000 1.096 97 F CA 0.470 58.514 58.000 0.073 0.000 1.308 97 F CB 0.616 39.604 39.000 -0.019 0.000 1.086 97 F HN 0.518 nan 8.300 nan 0.000 0.587 98 G N 1.533 110.507 108.800 0.290 0.000 2.722 98 G HA2 -0.163 3.798 3.960 0.001 0.000 0.686 98 G HA3 -0.163 3.798 3.960 0.001 0.000 0.686 98 G C -3.033 171.981 174.900 0.191 0.000 1.282 98 G CA -1.483 43.752 45.100 0.226 0.000 0.817 98 G HN -0.045 nan 8.290 nan 0.000 0.605 99 P HA 0.470 nan 4.420 nan 0.000 0.275 99 P C 1.163 178.539 177.300 0.127 0.000 1.227 99 P CA 1.451 64.655 63.100 0.172 0.000 0.781 99 P CB 1.124 32.979 31.700 0.257 0.000 0.906 100 G N 1.765 110.631 108.800 0.110 0.000 2.212 100 G HA2 -0.366 3.594 3.960 0.001 0.000 0.266 100 G HA3 -0.366 3.594 3.960 0.001 0.000 0.266 100 G C 1.185 176.106 174.900 0.035 0.000 0.978 100 G CA 0.619 45.761 45.100 0.070 0.000 0.632 100 G HN 0.691 nan 8.290 nan 0.000 0.537 101 A N 0.080 122.920 122.820 0.032 0.000 1.877 101 A HA 0.241 4.561 4.320 0.001 0.000 0.216 101 A C 2.441 179.951 177.584 -0.123 0.000 1.186 101 A CA 1.897 53.893 52.037 -0.068 0.000 0.620 101 A CB -0.405 18.527 19.000 -0.114 0.000 0.822 101 A HN 0.799 nan 8.150 nan 0.000 0.443 102 L N -0.386 120.800 121.223 -0.062 0.000 2.093 102 L HA -0.178 4.162 4.340 0.001 0.000 0.208 102 L C 1.919 178.828 176.870 0.065 0.000 1.085 102 L CA 1.383 56.202 54.840 -0.035 0.000 0.755 102 L CB -0.631 41.438 42.059 0.018 0.000 0.904 102 L HN 0.389 nan 8.230 nan 0.000 0.435 103 D N -0.063 120.376 120.400 0.065 0.000 2.182 103 D HA -0.191 4.450 4.640 0.001 0.000 0.201 103 D C 2.184 178.493 176.300 0.015 0.000 0.986 103 D CA 1.144 55.181 54.000 0.062 0.000 0.847 103 D CB -0.162 40.675 40.800 0.061 0.000 0.942 103 D HN 0.327 nan 8.370 nan 0.000 0.467 104 R N -0.480 120.016 120.500 -0.007 0.000 2.193 104 R HA 0.154 4.495 4.340 0.001 0.000 0.213 104 R C 1.997 178.280 176.300 -0.029 0.000 1.055 104 R CA 0.229 56.311 56.100 -0.030 0.000 0.995 104 R CB -0.114 30.161 30.300 -0.041 0.000 0.893 104 R HN 0.138 nan 8.270 nan 0.000 0.459 105 M N -0.788 118.813 119.600 0.001 0.000 2.557 105 M HA 0.037 4.517 4.480 0.001 0.000 0.259 105 M C 0.984 177.323 176.300 0.065 0.000 1.086 105 M CA 1.130 56.473 55.300 0.073 0.000 1.096 105 M CB 0.725 33.404 32.600 0.131 0.000 1.424 105 M HN 0.446 nan 8.290 nan 0.000 0.488 106 G N -0.968 107.799 108.800 -0.054 0.000 2.211 106 G HA2 -0.222 3.739 3.960 0.001 0.000 0.201 106 G HA3 -0.222 3.739 3.960 0.001 0.000 0.201 106 G C 0.057 174.723 174.900 -0.390 0.000 0.997 106 G CA -0.559 44.354 45.100 -0.311 0.000 0.652 106 G HN 0.373 nan 8.290 nan 0.000 0.500 107 F N 3.498 123.510 119.950 0.103 0.000 2.578 107 F HA 0.430 4.958 4.527 0.001 0.000 0.314 107 F C 1.440 177.321 175.800 0.135 0.000 1.225 107 F CA -0.052 58.047 58.000 0.166 0.000 1.215 107 F CB 0.219 39.274 39.000 0.090 0.000 1.448 107 F HN 0.192 nan 8.300 nan 0.000 0.548 108 T N -2.836 111.844 114.554 0.209 0.000 2.855 108 T HA -0.205 4.145 4.350 0.001 0.000 0.322 108 T C 1.357 176.227 174.700 0.283 0.000 1.088 108 T CA -0.533 61.691 62.100 0.208 0.000 1.104 108 T CB 0.766 69.713 68.868 0.133 0.000 0.996 108 T HN 0.690 nan 8.240 nan 0.000 0.549 109 W N 1.834 123.191 121.300 0.094 0.000 2.325 109 W HA -0.233 4.428 4.660 0.001 0.000 0.299 109 W C 1.540 178.107 176.519 0.081 0.000 1.215 109 W CA 1.679 59.072 57.345 0.079 0.000 1.244 109 W CB -0.107 29.389 29.460 0.059 0.000 1.140 109 W HN 0.870 nan 8.180 nan 0.000 0.523 110 E N -0.560 119.629 120.200 -0.017 0.000 2.106 110 E HA -0.246 4.105 4.350 0.001 0.000 0.192 110 E C 1.826 178.374 176.600 -0.087 0.000 0.984 110 E CA 1.685 57.992 56.400 -0.155 0.000 0.806 110 E CB -0.894 28.794 29.700 -0.020 0.000 0.750 110 E HN 0.312 nan 8.360 nan 0.000 0.458 111 Y N 0.636 120.866 120.300 -0.117 0.000 2.220 111 Y HA -0.073 4.478 4.550 0.001 0.000 0.291 111 Y C 1.760 177.615 175.900 -0.075 0.000 1.129 111 Y CA 0.946 58.987 58.100 -0.099 0.000 1.161 111 Y CB -0.289 38.106 38.460 -0.108 0.000 0.997 111 Y HN -0.015 nan 8.280 nan 0.000 0.522 112 I N 0.186 120.692 120.570 -0.107 0.000 2.151 112 I HA -0.443 3.728 4.170 0.001 0.000 0.243 112 I C 2.505 178.443 176.117 -0.298 0.000 1.080 112 I CA 1.919 63.129 61.300 -0.150 0.000 1.339 112 I CB -0.485 37.551 38.000 0.059 0.000 1.039 112 I HN 0.305 nan 8.210 nan 0.000 0.409 113 Q N 0.026 119.523 119.800 -0.504 0.000 2.096 113 Q HA -0.308 4.033 4.340 0.001 0.000 0.204 113 Q C 2.163 177.990 176.000 -0.288 0.000 0.982 113 Q CA 2.011 57.505 55.803 -0.516 0.000 0.850 113 Q CB -0.181 28.132 28.738 -0.708 0.000 0.901 113 Q HN 0.496 nan 8.270 nan 0.000 0.422 114 E N 0.419 120.477 120.200 -0.236 0.000 2.110 114 E HA -0.189 4.161 4.350 0.001 0.000 0.193 114 E C 1.875 178.373 176.600 -0.171 0.000 0.988 114 E CA 0.770 57.081 56.400 -0.148 0.000 0.804 114 E CB 0.020 29.693 29.700 -0.044 0.000 0.745 114 E HN 0.287 nan 8.360 nan 0.000 0.458 115 L N -0.029 121.030 121.223 -0.274 0.000 2.027 115 L HA -0.059 4.282 4.340 0.001 0.000 0.206 115 L C 1.039 177.828 176.870 -0.134 0.000 1.074 115 L CA 0.630 55.334 54.840 -0.227 0.000 0.745 115 L CB -0.052 41.836 42.059 -0.285 0.000 0.898 115 L HN 0.091 nan 8.230 nan 0.000 0.433 116 N N -1.089 117.530 118.700 -0.134 0.000 2.594 116 N HA 0.160 4.900 4.740 0.001 0.000 0.280 116 N C -2.307 173.145 175.510 -0.096 0.000 1.156 116 N CA -1.489 51.508 53.050 -0.087 0.000 0.831 116 N CB 1.577 40.032 38.487 -0.052 0.000 1.379 116 N HN -0.236 nan 8.380 nan 0.000 0.536 117 P HA 0.048 nan 4.420 nan 0.000 0.237 117 P C 0.628 177.908 177.300 -0.033 0.000 1.178 117 P CA 0.620 63.668 63.100 -0.086 0.000 0.766 117 P CB 0.587 32.248 31.700 -0.066 0.000 0.876 118 R N -0.833 119.656 120.500 -0.020 0.000 2.237 118 R HA 0.150 4.490 4.340 0.001 0.000 0.195 118 R C 0.762 177.082 176.300 0.032 0.000 0.956 118 R CA -0.111 55.989 56.100 0.000 0.000 1.029 118 R CB -0.107 30.183 30.300 -0.017 0.000 0.972 118 R HN 0.051 nan 8.270 nan 0.000 0.493 119 V N 2.421 122.362 119.914 0.045 0.000 2.655 119 V HA 0.086 4.206 4.120 0.001 0.000 0.300 119 V C 0.080 176.286 176.094 0.187 0.000 1.044 119 V CA 0.170 62.523 62.300 0.089 0.000 1.095 119 V CB 0.536 32.410 31.823 0.086 0.000 0.952 119 V HN 0.075 nan 8.190 nan 0.000 0.485 120 I N 6.963 127.617 120.570 0.139 0.000 2.353 120 I HA 0.291 4.462 4.170 0.001 0.000 0.293 120 I C -0.426 175.769 176.117 0.130 0.000 0.992 120 I CA -0.507 60.873 61.300 0.133 0.000 1.268 120 I CB 1.522 39.552 38.000 0.049 0.000 1.387 120 I HN 0.445 nan 8.210 nan 0.000 0.478 121 L N 7.542 128.822 121.223 0.096 0.000 2.280 121 L HA 0.702 5.042 4.340 0.001 0.000 0.287 121 L C -0.250 176.593 176.870 -0.046 0.000 1.023 121 L CA -0.107 54.770 54.840 0.063 0.000 0.819 121 L CB 0.918 43.045 42.059 0.112 0.000 1.212 121 L HN 0.660 nan 8.230 nan 0.000 0.420 122 A N 3.658 126.479 122.820 0.003 0.000 2.331 122 A HA 0.869 5.189 4.320 0.001 0.000 0.320 122 A C -0.567 177.016 177.584 -0.002 0.000 1.138 122 A CA -0.443 51.584 52.037 -0.016 0.000 0.790 122 A CB 1.136 20.135 19.000 -0.003 0.000 1.206 122 A HN 0.662 nan 8.150 nan 0.000 0.470 123 S N 0.292 115.984 115.700 -0.012 0.000 2.542 123 S HA 0.642 5.113 4.470 0.001 0.000 0.293 123 S C -0.678 173.926 174.600 0.007 0.000 1.089 123 S CA -0.462 57.740 58.200 0.003 0.000 0.961 123 S CB 1.797 65.000 63.200 0.005 0.000 1.062 123 S HN 0.650 nan 8.310 nan 0.000 0.483 124 V N 3.274 123.196 119.914 0.014 0.000 2.435 124 V HA 0.547 4.667 4.120 0.001 0.000 0.290 124 V C -0.264 175.851 176.094 0.034 0.000 1.030 124 V CA -0.542 61.769 62.300 0.018 0.000 0.881 124 V CB 1.403 33.237 31.823 0.020 0.000 0.983 124 V HN 0.779 nan 8.190 nan 0.000 0.445 125 K N 2.126 122.540 120.400 0.023 0.000 2.444 125 K HA 0.632 4.952 4.320 0.001 0.000 0.252 125 K C 1.100 177.702 176.600 0.003 0.000 0.993 125 K CA -0.321 55.988 56.287 0.037 0.000 0.847 125 K CB 2.036 34.560 32.500 0.039 0.000 1.340 125 K HN 0.591 nan 8.250 nan 0.000 0.446 126 G N 0.192 109.006 108.800 0.025 0.000 2.424 126 G HA2 -0.065 3.895 3.960 0.001 0.000 0.214 126 G HA3 -0.065 3.895 3.960 0.001 0.000 0.214 126 G C -0.302 174.463 174.900 -0.225 0.000 1.202 126 G CA 1.150 46.216 45.100 -0.056 0.000 0.793 126 G HN 0.412 nan 8.290 nan 0.000 0.534 127 Y N -0.573 119.652 120.300 -0.125 0.000 2.562 127 Y HA 0.643 5.194 4.550 0.001 0.000 0.343 127 Y C 0.486 176.311 175.900 -0.124 0.000 1.025 127 Y CA -1.050 56.917 58.100 -0.220 0.000 1.082 127 Y CB 1.807 40.014 38.460 -0.422 0.000 1.264 127 Y HN 0.273 nan 8.280 nan 0.000 0.478 128 A N 1.152 124.031 122.820 0.098 0.000 2.462 128 A HA 0.134 4.455 4.320 0.001 0.000 0.243 128 A C 0.110 177.743 177.584 0.081 0.000 1.076 128 A CA -0.448 51.640 52.037 0.085 0.000 0.773 128 A CB -0.119 18.945 19.000 0.106 0.000 1.010 128 A HN 0.813 nan 8.150 nan 0.000 0.493 129 E N 0.973 121.197 120.200 0.040 0.000 2.729 129 E HA 0.224 4.574 4.350 0.001 0.000 0.246 129 E C 1.211 177.829 176.600 0.031 0.000 0.984 129 E CA 1.290 57.703 56.400 0.021 0.000 0.951 129 E CB -0.306 29.402 29.700 0.013 0.000 0.914 129 E HN 1.532 nan 8.360 nan 0.000 0.509 130 G N 3.690 112.498 108.800 0.013 0.000 2.179 130 G HA2 -0.263 3.698 3.960 0.001 0.000 0.220 130 G HA3 -0.263 3.698 3.960 0.001 0.000 0.220 130 G C 0.032 174.945 174.900 0.021 0.000 0.990 130 G CA 0.117 45.223 45.100 0.010 0.000 0.646 130 G HN 0.762 nan 8.290 nan 0.000 0.517 131 H N 0.931 119.964 119.070 -0.061 0.000 2.629 131 H HA 0.593 5.149 4.556 0.001 0.000 0.357 131 H C 1.702 176.946 175.328 -0.140 0.000 1.121 131 H CA 0.614 56.621 56.048 -0.068 0.000 1.406 131 H CB 1.449 31.202 29.762 -0.015 0.000 1.456 131 H HN 0.264 nan 8.280 nan 0.000 0.579 132 A N 4.408 127.204 122.820 -0.040 0.000 1.948 132 A HA -0.230 4.091 4.320 0.001 0.000 0.220 132 A C 1.629 179.195 177.584 -0.030 0.000 1.177 132 A CA 1.655 53.672 52.037 -0.034 0.000 0.636 132 A CB -0.122 18.826 19.000 -0.087 0.000 0.815 132 A HN 0.754 nan 8.150 nan 0.000 0.449 133 N N -0.500 118.205 118.700 0.008 0.000 2.314 133 N HA 0.022 4.762 4.740 0.001 0.000 0.200 133 N C 1.128 176.317 175.510 -0.534 0.000 1.135 133 N CA 0.593 53.337 53.050 -0.510 0.000 0.835 133 N CB 0.033 37.775 38.487 -1.241 0.000 0.989 133 N HN 0.757 nan 8.380 nan 0.000 0.478 134 E N 0.373 120.388 120.200 -0.308 0.000 2.279 134 E HA -0.250 4.100 4.350 0.001 0.000 0.205 134 E C 0.417 176.838 176.600 -0.299 0.000 1.028 134 E CA 1.572 57.792 56.400 -0.300 0.000 0.830 134 E CB 0.005 29.433 29.700 -0.454 0.000 0.736 134 E HN 0.605 nan 8.360 nan 0.000 0.478 135 H N -1.199 117.861 119.070 -0.017 0.000 2.705 135 H HA 0.263 4.819 4.556 0.001 0.000 0.269 135 H C 0.150 175.488 175.328 0.016 0.000 0.998 135 H CA -0.683 55.372 56.048 0.011 0.000 1.193 135 H CB 0.491 30.255 29.762 0.003 0.000 1.485 135 H HN 0.038 nan 8.280 nan 0.000 0.521 136 L N 1.896 123.161 121.223 0.070 0.000 2.483 136 L HA 0.029 4.370 4.340 0.001 0.000 0.275 136 L C 0.308 177.250 176.870 0.120 0.000 1.220 136 L CA 0.382 55.268 54.840 0.077 0.000 0.833 136 L CB 0.501 42.591 42.059 0.052 0.000 1.102 136 L HN 0.159 nan 8.230 nan 0.000 0.490 137 K N 1.970 122.406 120.400 0.061 0.000 2.156 137 K HA 0.596 4.917 4.320 0.001 0.000 0.271 137 K C -1.129 175.440 176.600 -0.051 0.000 0.995 137 K CA -0.609 55.689 56.287 0.019 0.000 0.890 137 K CB 2.205 34.686 32.500 -0.032 0.000 1.073 137 K HN 0.238 nan 8.250 nan 0.000 0.454 138 V N 4.155 124.047 119.914 -0.038 0.000 2.612 138 V HA 0.338 4.458 4.120 0.001 0.000 0.301 138 V C -1.053 175.120 176.094 0.131 0.000 1.059 138 V CA -0.856 61.426 62.300 -0.030 0.000 0.886 138 V CB 0.950 32.772 31.823 -0.002 0.000 1.007 138 V HN 0.723 nan 8.190 nan 0.000 0.426 139 Y N 1.138 121.450 120.300 0.019 0.000 2.732 139 Y HA 0.362 4.913 4.550 0.001 0.000 0.327 139 Y C 1.557 177.463 175.900 0.009 0.000 1.162 139 Y CA -0.932 57.183 58.100 0.025 0.000 1.238 139 Y CB 0.965 39.459 38.460 0.056 0.000 1.443 139 Y HN 0.646 nan 8.280 nan 0.000 0.584 140 E N 1.092 121.427 120.200 0.225 0.000 2.045 140 E HA -0.269 4.081 4.350 0.001 0.000 0.212 140 E C 1.184 177.826 176.600 0.070 0.000 1.039 140 E CA 2.440 58.904 56.400 0.107 0.000 0.860 140 E CB -0.387 29.369 29.700 0.093 0.000 0.776 140 E HN 0.564 nan 8.360 nan 0.000 0.467 141 N N -0.636 118.114 118.700 0.083 0.000 2.446 141 N HA -0.037 4.704 4.740 0.001 0.000 0.179 141 N C 1.685 177.211 175.510 0.027 0.000 1.054 141 N CA 0.879 53.957 53.050 0.047 0.000 0.905 141 N CB 0.074 38.592 38.487 0.053 0.000 0.973 141 N HN 0.094 nan 8.380 nan 0.000 0.448 142 V N 1.148 121.078 119.914 0.026 0.000 2.358 142 V HA -0.147 3.973 4.120 0.001 0.000 0.246 142 V C 2.353 178.424 176.094 -0.039 0.000 1.047 142 V CA 1.788 64.085 62.300 -0.005 0.000 1.035 142 V CB -0.834 30.972 31.823 -0.028 0.000 0.658 142 V HN 0.265 nan 8.190 nan 0.000 0.452 143 A N -0.923 121.865 122.820 -0.055 0.000 1.929 143 A HA -0.212 4.108 4.320 0.001 0.000 0.216 143 A C 2.183 179.719 177.584 -0.080 0.000 1.176 143 A CA 1.397 53.365 52.037 -0.115 0.000 0.628 143 A CB -0.406 18.528 19.000 -0.111 0.000 0.816 143 A HN 0.590 nan 8.150 nan 0.000 0.444 144 Q N -0.840 118.938 119.800 -0.036 0.000 2.135 144 Q HA -0.206 4.135 4.340 0.001 0.000 0.204 144 Q C 2.292 178.283 176.000 -0.016 0.000 0.981 144 Q CA 1.710 57.499 55.803 -0.022 0.000 0.856 144 Q CB -0.443 28.293 28.738 -0.004 0.000 0.902 144 Q HN 0.772 nan 8.270 nan 0.000 0.425 145 C N 0.243 119.536 119.300 -0.010 0.000 2.466 145 C HA -0.069 4.391 4.460 0.001 0.000 0.278 145 C C 3.080 178.072 174.990 0.004 0.000 1.288 145 C CA 1.064 60.085 59.018 0.005 0.000 1.722 145 C CB -0.917 26.831 27.740 0.014 0.000 2.017 145 C HN 0.635 nan 8.230 nan 0.000 0.488 146 S N 0.663 116.349 115.700 -0.023 0.000 2.481 146 S HA 0.020 4.490 4.470 0.001 0.000 0.231 146 S C 1.619 176.202 174.600 -0.028 0.000 0.996 146 S CA 1.432 59.621 58.200 -0.018 0.000 0.942 146 S CB -0.438 62.693 63.200 -0.115 0.000 0.768 146 S HN 0.632 nan 8.310 nan 0.000 0.520 147 G N -0.499 108.273 108.800 -0.046 0.000 3.126 147 G HA2 0.487 4.447 3.960 0.001 0.000 0.224 147 G HA3 0.487 4.447 3.960 0.001 0.000 0.224 147 G C 0.975 175.871 174.900 -0.005 0.000 1.142 147 G CA 0.028 45.104 45.100 -0.040 0.000 0.759 147 G HN 1.240 nan 8.290 nan 0.000 0.550 148 G N -0.441 108.365 108.800 0.010 0.000 2.259 148 G HA2 -0.068 3.892 3.960 0.001 0.000 0.217 148 G HA3 -0.068 3.892 3.960 0.001 0.000 0.217 148 G C 1.499 176.413 174.900 0.025 0.000 1.001 148 G CA 0.971 46.086 45.100 0.025 0.000 0.627 148 G HN 1.078 nan 8.290 nan 0.000 0.501 149 A N 0.837 123.664 122.820 0.011 0.000 1.877 149 A HA 0.402 4.723 4.320 0.001 0.000 0.216 149 A C 2.822 180.414 177.584 0.014 0.000 1.186 149 A CA 3.077 55.120 52.037 0.010 0.000 0.620 149 A CB -0.908 18.091 19.000 -0.002 0.000 0.822 149 A HN 1.779 nan 8.150 nan 0.000 0.443 150 A N -0.299 122.530 122.820 0.015 0.000 1.930 150 A HA 0.239 4.559 4.320 0.001 0.000 0.217 150 A C 2.455 180.056 177.584 0.029 0.000 1.175 150 A CA 1.803 53.851 52.037 0.018 0.000 0.627 150 A CB -0.958 18.053 19.000 0.018 0.000 0.815 150 A HN 1.099 nan 8.150 nan 0.000 0.443 151 A N -0.344 122.498 122.820 0.037 0.000 2.076 151 A HA -0.045 4.275 4.320 0.001 0.000 0.220 151 A C 1.986 179.610 177.584 0.065 0.000 1.160 151 A CA 2.145 54.212 52.037 0.051 0.000 0.653 151 A CB -0.873 18.159 19.000 0.053 0.000 0.801 151 A HN 0.833 nan 8.150 nan 0.000 0.455 152 T N -4.368 110.222 114.554 0.060 0.000 3.182 152 T HA 0.359 4.710 4.350 0.001 0.000 0.277 152 T C 0.048 174.776 174.700 0.046 0.000 1.013 152 T CA 0.140 62.289 62.100 0.083 0.000 0.900 152 T CB 0.102 69.030 68.868 0.099 0.000 1.098 152 T HN 0.046 nan 8.240 nan 0.000 0.543 153 T N 1.373 115.937 114.554 0.017 0.000 2.881 153 T HA 0.707 5.057 4.350 0.001 0.000 0.291 153 T C 0.364 175.045 174.700 -0.031 0.000 0.990 153 T CA 0.122 62.206 62.100 -0.026 0.000 0.976 153 T CB 1.319 70.174 68.868 -0.022 0.000 0.970 153 T HN 0.776 nan 8.240 nan 0.000 0.438 154 G N 2.851 111.594 108.800 -0.095 0.000 2.341 154 G HA2 0.081 4.042 3.960 0.001 0.000 0.196 154 G HA3 0.081 4.042 3.960 0.001 0.000 0.196 154 G C -1.616 173.140 174.900 -0.240 0.000 1.231 154 G CA -0.897 44.169 45.100 -0.057 0.000 1.155 154 G HN 0.570 nan 8.290 nan 0.000 0.529 155 F N 0.106 119.940 119.950 -0.194 0.000 2.579 155 F HA 0.542 5.069 4.527 0.001 0.000 0.324 155 F C 1.306 176.931 175.800 -0.291 0.000 1.058 155 F CA -0.097 57.641 58.000 -0.437 0.000 0.944 155 F CB 1.479 40.054 39.000 -0.708 0.000 1.245 155 F HN 0.723 nan 8.300 nan 0.000 0.477 156 W N -0.377 121.058 121.300 0.225 0.000 2.465 156 W HA -0.034 4.626 4.660 0.001 0.000 0.268 156 W C 0.898 177.483 176.519 0.109 0.000 1.242 156 W CA 0.915 58.334 57.345 0.123 0.000 1.248 156 W CB -0.706 28.803 29.460 0.082 0.000 1.118 156 W HN 0.391 nan 8.180 nan 0.000 0.587 157 D N -0.512 119.832 120.400 -0.094 0.000 2.440 157 D HA 0.288 4.929 4.640 0.001 0.000 0.216 157 D C 0.796 177.076 176.300 -0.034 0.000 1.150 157 D CA 0.054 54.061 54.000 0.012 0.000 0.832 157 D CB -0.261 40.556 40.800 0.029 0.000 0.992 157 D HN 0.128 nan 8.370 nan 0.000 0.502 158 G N 0.325 109.108 108.800 -0.029 0.000 3.140 158 G HA2 0.639 4.599 3.960 0.001 0.000 0.271 158 G HA3 0.639 4.599 3.960 0.001 0.000 0.271 158 G C -2.851 172.063 174.900 0.024 0.000 1.370 158 G CA -1.438 43.657 45.100 -0.009 0.000 1.014 158 G HN -0.046 nan 8.290 nan 0.000 0.541 159 P HA 0.376 nan 4.420 nan 0.000 0.278 159 P C -2.731 174.590 177.300 0.034 0.000 1.258 159 P CA -1.563 61.553 63.100 0.028 0.000 0.811 159 P CB 0.549 32.260 31.700 0.020 0.000 1.063 160 P HA 0.096 nan 4.420 nan 0.000 0.266 160 P C -0.486 176.829 177.300 0.025 0.000 1.195 160 P CA 0.667 63.787 63.100 0.033 0.000 0.768 160 P CB -0.025 31.694 31.700 0.033 0.000 0.838 161 T N 1.350 115.917 114.554 0.021 0.000 2.881 161 T HA 0.397 4.747 4.350 0.001 0.000 0.290 161 T C 0.069 174.774 174.700 0.008 0.000 1.000 161 T CA -0.654 61.455 62.100 0.015 0.000 0.978 161 T CB 1.207 70.084 68.868 0.015 0.000 0.997 161 T HN 0.322 nan 8.240 nan 0.000 0.443 162 V N 1.362 121.281 119.914 0.009 0.000 3.003 162 V HA 0.708 4.829 4.120 0.001 0.000 0.305 162 V C 0.610 176.704 176.094 -0.002 0.000 1.078 162 V CA -0.593 61.711 62.300 0.007 0.000 1.083 162 V CB 1.420 33.252 31.823 0.014 0.000 1.039 162 V HN 0.844 nan 8.190 nan 0.000 0.481 163 S N 2.352 118.049 115.700 -0.005 0.000 2.586 163 S HA 0.548 5.019 4.470 0.001 0.000 0.274 163 S C 1.289 175.884 174.600 -0.008 0.000 1.281 163 S CA 0.054 58.246 58.200 -0.013 0.000 1.035 163 S CB 1.023 64.213 63.200 -0.016 0.000 0.962 163 S HN 1.393 nan 8.310 nan 0.000 0.512 164 G N 2.514 111.305 108.800 -0.014 0.000 2.421 164 G HA2 0.220 4.181 3.960 0.001 0.000 0.217 164 G HA3 0.220 4.181 3.960 0.001 0.000 0.217 164 G C 0.612 175.507 174.900 -0.009 0.000 1.143 164 G CA 0.467 45.560 45.100 -0.011 0.000 0.784 164 G HN 1.087 nan 8.290 nan 0.000 0.541 165 A N 0.365 123.178 122.820 -0.011 0.000 2.498 165 A HA 0.554 4.875 4.320 0.001 0.000 0.239 165 A C 1.020 178.609 177.584 0.009 0.000 1.068 165 A CA 0.444 52.480 52.037 -0.003 0.000 0.766 165 A CB 0.334 19.329 19.000 -0.008 0.000 1.003 165 A HN 0.990 nan 8.150 nan 0.000 0.497 166 A N 3.020 125.854 122.820 0.024 0.000 3.077 166 A HA 0.411 4.731 4.320 0.001 0.000 0.255 166 A C 1.062 178.667 177.584 0.035 0.000 1.728 166 A CA -0.335 51.723 52.037 0.035 0.000 1.383 166 A CB -0.908 18.129 19.000 0.061 0.000 1.097 166 A HN 0.852 nan 8.150 nan 0.000 0.634 167 L N 0.568 121.803 121.223 0.020 0.000 2.187 167 L HA -0.098 4.243 4.340 0.001 0.000 0.213 167 L C 1.909 178.779 176.870 0.000 0.000 1.100 167 L CA 0.799 55.647 54.840 0.013 0.000 0.765 167 L CB -0.489 41.569 42.059 -0.000 0.000 0.904 167 L HN 0.642 nan 8.230 nan 0.000 0.437 171 N N 2.597 121.361 118.700 0.107 0.000 2.061 171 N HA -0.072 4.669 4.740 0.001 0.000 0.193 171 N C 1.469 177.098 175.510 0.199 0.000 1.030 171 N CA 2.538 55.678 53.050 0.149 0.000 0.856 171 N CB -0.410 38.134 38.487 0.095 0.000 1.023 171 N HN 0.318 nan 8.380 nan 0.000 0.424 172 S N -1.112 114.638 115.700 0.084 0.000 2.382 172 S HA -0.021 4.449 4.470 0.001 0.000 0.228 172 S C 1.879 176.542 174.600 0.105 0.000 1.027 172 S CA 1.173 59.400 58.200 0.045 0.000 0.991 172 S CB -0.844 62.353 63.200 -0.006 0.000 0.823 172 S HN 0.656 nan 8.310 nan 0.000 0.469 173 G N 1.072 109.930 108.800 0.097 0.000 2.443 173 G HA2 -0.112 3.848 3.960 0.001 0.000 0.219 173 G HA3 -0.112 3.848 3.960 0.001 0.000 0.219 173 G C 1.295 176.256 174.900 0.101 0.000 1.131 173 G CA 0.521 45.672 45.100 0.085 0.000 0.775 173 G HN 0.323 nan 8.290 nan 0.000 0.547 174 M N -0.032 119.648 119.600 0.134 0.000 2.288 174 M HA 0.110 4.590 4.480 0.001 0.000 0.266 174 M C 2.079 178.426 176.300 0.079 0.000 1.072 174 M CA 0.928 56.296 55.300 0.113 0.000 1.132 174 M CB -0.991 31.676 32.600 0.112 0.000 1.386 174 M HN 0.253 nan 8.290 nan 0.000 0.432 175 H N 0.016 119.109 119.070 0.038 0.000 2.363 175 H HA -0.049 4.507 4.556 0.001 0.000 0.301 175 H C 1.860 177.197 175.328 0.015 0.000 1.074 175 H CA 1.247 57.310 56.048 0.025 0.000 1.354 175 H CB -0.189 29.582 29.762 0.016 0.000 1.397 175 H HN 0.127 nan 8.280 nan 0.000 0.516 176 L N 0.157 121.463 121.223 0.138 0.000 2.079 176 L HA -0.186 4.155 4.340 0.001 0.000 0.210 176 L C 2.312 179.206 176.870 0.039 0.000 1.081 176 L CA 1.606 56.487 54.840 0.068 0.000 0.752 176 L CB -0.475 41.611 42.059 0.045 0.000 0.896 176 L HN 0.337 nan 8.230 nan 0.000 0.433 177 M N -1.409 118.214 119.600 0.038 0.000 2.213 177 M HA -0.205 4.276 4.480 0.001 0.000 0.263 177 M C 2.077 178.374 176.300 -0.006 0.000 1.062 177 M CA 1.713 57.022 55.300 0.014 0.000 1.105 177 M CB -0.125 32.493 32.600 0.029 0.000 1.385 177 M HN 0.308 nan 8.290 nan 0.000 0.417 178 I N -0.313 120.253 120.570 -0.008 0.000 2.252 178 I HA -0.180 3.990 4.170 0.001 0.000 0.245 178 I C 2.484 178.597 176.117 -0.008 0.000 1.102 178 I CA 1.323 62.609 61.300 -0.023 0.000 1.385 178 I CB -1.028 36.947 38.000 -0.042 0.000 1.064 178 I HN 0.460 nan 8.210 nan 0.000 0.414 179 G N 1.254 110.059 108.800 0.007 0.000 2.421 179 G HA2 -0.186 3.774 3.960 0.001 0.000 0.216 179 G HA3 -0.186 3.774 3.960 0.001 0.000 0.216 179 G C 1.700 176.595 174.900 -0.008 0.000 1.171 179 G CA 0.550 45.651 45.100 0.003 0.000 0.775 179 G HN 0.290 nan 8.290 nan 0.000 0.543 180 I N 0.253 120.818 120.570 -0.008 0.000 2.179 180 I HA -0.149 4.022 4.170 0.001 0.000 0.242 180 I C 2.702 178.810 176.117 -0.015 0.000 1.088 180 I CA 0.808 62.100 61.300 -0.013 0.000 1.357 180 I CB -0.189 37.804 38.000 -0.011 0.000 1.051 180 I HN 0.118 nan 8.210 nan 0.000 0.409 181 L N 0.240 121.453 121.223 -0.017 0.000 2.141 181 L HA -0.141 4.200 4.340 0.001 0.000 0.209 181 L C 2.760 179.628 176.870 -0.003 0.000 1.094 181 L CA 1.111 55.941 54.840 -0.016 0.000 0.763 181 L CB -0.573 41.467 42.059 -0.031 0.000 0.908 181 L HN 0.222 nan 8.230 nan 0.000 0.437 182 A N -0.105 122.713 122.820 -0.004 0.000 1.930 182 A HA -0.117 4.204 4.320 0.001 0.000 0.217 182 A C 2.517 180.103 177.584 0.004 0.000 1.175 182 A CA 1.525 53.564 52.037 0.003 0.000 0.627 182 A CB -0.628 18.372 19.000 0.001 0.000 0.815 182 A HN 0.374 nan 8.150 nan 0.000 0.443 183 A N -0.217 122.599 122.820 -0.005 0.000 1.902 183 A HA -0.024 4.296 4.320 0.001 0.000 0.217 183 A C 2.117 179.688 177.584 -0.022 0.000 1.181 183 A CA 1.438 53.469 52.037 -0.009 0.000 0.623 183 A CB -0.600 18.391 19.000 -0.014 0.000 0.818 183 A HN 0.459 nan 8.150 nan 0.000 0.443 184 L N -0.757 120.451 121.223 -0.026 0.000 2.131 184 L HA -0.196 4.144 4.340 0.001 0.000 0.210 184 L C 2.586 179.441 176.870 -0.025 0.000 1.092 184 L CA 1.649 56.452 54.840 -0.061 0.000 0.759 184 L CB -0.336 41.706 42.059 -0.028 0.000 0.903 184 L HN 0.502 nan 8.230 nan 0.000 0.435 185 E N 0.731 120.969 120.200 0.063 0.000 2.072 185 E HA -0.207 4.143 4.350 0.001 0.000 0.191 185 E C 2.103 178.767 176.600 0.106 0.000 0.985 185 E CA 1.273 57.761 56.400 0.148 0.000 0.801 185 E CB -0.176 29.574 29.700 0.083 0.000 0.750 185 E HN 0.432 nan 8.360 nan 0.000 0.452 186 I N -0.014 120.579 120.570 0.038 0.000 2.439 186 I HA -0.166 4.004 4.170 0.001 0.000 0.251 186 I C 2.534 178.654 176.117 0.006 0.000 1.139 186 I CA 0.742 62.058 61.300 0.028 0.000 1.438 186 I CB -0.062 37.949 38.000 0.018 0.000 1.085 186 I HN 0.104 nan 8.210 nan 0.000 0.427 187 R N -0.237 120.229 120.500 -0.056 0.000 2.148 187 R HA -0.186 4.154 4.340 0.001 0.000 0.227 187 R C 2.222 178.427 176.300 -0.158 0.000 1.103 187 R CA 1.080 57.112 56.100 -0.113 0.000 0.983 187 R CB -0.202 29.999 30.300 -0.165 0.000 0.874 187 R HN 0.475 nan 8.270 nan 0.000 0.451 188 H N 0.258 119.330 119.070 0.004 0.000 2.421 188 H HA -0.088 4.469 4.556 0.001 0.000 0.298 188 H C 1.596 176.926 175.328 0.004 0.000 1.087 188 H CA 1.386 57.434 56.048 0.001 0.000 1.330 188 H CB 0.218 29.977 29.762 -0.004 0.000 1.388 188 H HN 0.245 nan 8.280 nan 0.000 0.526 189 K N -0.103 120.360 120.400 0.106 0.000 2.211 189 K HA -0.023 4.297 4.320 0.001 0.000 0.201 189 K C 1.980 178.602 176.600 0.038 0.000 1.052 189 K CA 1.392 57.718 56.287 0.064 0.000 0.973 189 K CB 0.332 32.864 32.500 0.054 0.000 0.766 189 K HN 0.306 nan 8.250 nan 0.000 0.466 190 T N -3.733 110.836 114.554 0.025 0.000 3.001 190 T HA 0.190 4.540 4.350 0.001 0.000 0.251 190 T C 1.432 176.139 174.700 0.012 0.000 1.040 190 T CA 0.469 62.581 62.100 0.020 0.000 0.985 190 T CB 0.706 69.589 68.868 0.024 0.000 1.011 190 T HN 0.265 nan 8.240 nan 0.000 0.509 191 G N 1.492 110.292 108.800 0.000 0.000 2.168 191 G HA2 -0.287 3.674 3.960 0.001 0.000 0.263 191 G HA3 -0.287 3.674 3.960 0.001 0.000 0.263 191 G C 0.104 174.999 174.900 -0.009 0.000 0.977 191 G CA 0.361 45.455 45.100 -0.009 0.000 0.659 191 G HN 0.761 nan 8.290 nan 0.000 0.533 192 R N -0.126 120.376 120.500 0.003 0.000 2.637 192 R HA 0.581 4.921 4.340 0.001 0.000 0.291 192 R C 0.943 177.273 176.300 0.049 0.000 0.963 192 R CA 0.013 56.130 56.100 0.027 0.000 0.901 192 R CB 1.261 31.587 30.300 0.044 0.000 1.160 192 R HN 0.282 nan 8.270 nan 0.000 0.457 193 G N 1.001 109.857 108.800 0.092 0.000 2.599 193 G HA2 0.210 4.171 3.960 0.001 0.000 0.264 193 G HA3 0.210 4.171 3.960 0.001 0.000 0.264 193 G C -0.766 174.294 174.900 0.267 0.000 1.200 193 G CA -0.124 45.074 45.100 0.164 0.000 0.896 193 G HN 0.446 nan 8.290 nan 0.000 0.536 194 Q N -1.226 118.704 119.800 0.216 0.000 2.544 194 Q HA 0.360 4.700 4.340 0.001 0.000 0.291 194 Q C -0.915 174.908 176.000 -0.297 0.000 1.068 194 Q CA -0.871 54.977 55.803 0.074 0.000 0.785 194 Q CB 2.747 31.484 28.738 -0.002 0.000 1.481 194 Q HN 0.508 nan 8.270 nan 0.000 0.430 195 K N 0.991 120.964 120.400 -0.712 0.000 2.156 195 K HA 0.582 4.903 4.320 0.001 0.000 0.271 195 K C -1.571 174.799 176.600 -0.383 0.000 0.995 195 K CA -0.387 55.392 56.287 -0.846 0.000 0.890 195 K CB 1.472 33.203 32.500 -1.283 0.000 1.073 195 K HN 0.351 nan 8.250 nan 0.000 0.454 196 V N 2.663 122.427 119.914 -0.249 0.000 2.808 196 V HA 0.772 4.893 4.120 0.001 0.000 0.308 196 V C -1.788 174.251 176.094 -0.092 0.000 1.099 196 V CA -0.373 61.846 62.300 -0.134 0.000 0.920 196 V CB 1.807 33.582 31.823 -0.079 0.000 1.014 196 V HN 0.946 nan 8.190 nan 0.000 0.425 197 A N 5.472 128.253 122.820 -0.064 0.000 2.422 197 A HA 0.894 5.215 4.320 0.001 0.000 0.302 197 A C -1.521 176.054 177.584 -0.015 0.000 1.041 197 A CA -0.529 51.486 52.037 -0.037 0.000 0.708 197 A CB 2.135 21.111 19.000 -0.041 0.000 1.257 197 A HN 1.061 nan 8.150 nan 0.000 0.414 198 V N 1.559 121.470 119.914 -0.005 0.000 2.540 198 V HA 0.712 4.833 4.120 0.001 0.000 0.302 198 V C 0.473 176.554 176.094 -0.022 0.000 1.035 198 V CA -0.305 61.992 62.300 -0.005 0.000 0.873 198 V CB 1.609 33.444 31.823 0.019 0.000 0.992 198 V HN 1.292 nan 8.190 nan 0.000 0.428 199 A N 4.614 127.408 122.820 -0.043 0.000 2.301 199 A HA 0.648 4.969 4.320 0.001 0.000 0.312 199 A C 0.906 178.416 177.584 -0.124 0.000 1.182 199 A CA -0.535 51.460 52.037 -0.071 0.000 0.826 199 A CB 0.835 19.798 19.000 -0.062 0.000 1.134 199 A HN 0.901 nan 8.150 nan 0.000 0.501 200 M N 0.715 120.231 119.600 -0.141 0.000 2.108 200 M HA -0.222 4.258 4.480 0.001 0.000 0.261 200 M C 2.270 178.444 176.300 -0.210 0.000 1.066 200 M CA 2.074 57.280 55.300 -0.156 0.000 1.107 200 M CB -0.249 32.274 32.600 -0.129 0.000 1.356 200 M HN 0.983 nan 8.290 nan 0.000 0.406 201 Q N 0.692 120.308 119.800 -0.306 0.000 2.061 201 Q HA -0.235 4.105 4.340 0.001 0.000 0.204 201 Q C 1.204 177.102 176.000 -0.169 0.000 0.984 201 Q CA 1.980 57.603 55.803 -0.299 0.000 0.846 201 Q CB 0.009 28.480 28.738 -0.446 0.000 0.902 201 Q HN 0.485 nan 8.270 nan 0.000 0.421 202 D N 0.143 120.459 120.400 -0.141 0.000 2.149 202 D HA -0.079 4.561 4.640 0.001 0.000 0.201 202 D C 1.748 177.944 176.300 -0.173 0.000 0.972 202 D CA 1.179 55.118 54.000 -0.102 0.000 0.835 202 D CB -0.367 40.397 40.800 -0.060 0.000 0.966 202 D HN 0.393 nan 8.370 nan 0.000 0.476 203 A N 0.910 123.564 122.820 -0.276 0.000 1.883 203 A HA -0.172 4.149 4.320 0.001 0.000 0.217 203 A C 2.522 179.918 177.584 -0.312 0.000 1.186 203 A CA 1.488 53.209 52.037 -0.525 0.000 0.624 203 A CB -0.876 17.833 19.000 -0.485 0.000 0.822 203 A HN 0.145 nan 8.150 nan 0.000 0.444 204 V N -0.105 119.701 119.914 -0.180 0.000 2.255 204 V HA -0.268 3.852 4.120 0.001 0.000 0.247 204 V C 2.506 178.560 176.094 -0.067 0.000 1.051 204 V CA 1.982 64.223 62.300 -0.099 0.000 1.018 204 V CB -0.765 31.008 31.823 -0.084 0.000 0.641 204 V HN 0.610 nan 8.190 nan 0.000 0.445 205 L N 0.310 121.492 121.223 -0.068 0.000 2.079 205 L HA -0.244 4.096 4.340 0.001 0.000 0.210 205 L C 2.492 179.355 176.870 -0.012 0.000 1.081 205 L CA 2.039 56.862 54.840 -0.027 0.000 0.752 205 L CB -0.559 41.490 42.059 -0.017 0.000 0.896 205 L HN 0.553 nan 8.230 nan 0.000 0.433 206 N N 0.105 118.788 118.700 -0.029 0.000 2.166 206 N HA -0.204 4.536 4.740 0.001 0.000 0.186 206 N C 1.863 177.404 175.510 0.051 0.000 1.019 206 N CA 0.969 54.033 53.050 0.024 0.000 0.856 206 N CB 0.020 38.539 38.487 0.053 0.000 0.993 206 N HN 0.362 nan 8.380 nan 0.000 0.426 207 L N 0.638 121.885 121.223 0.039 0.000 2.376 207 L HA -0.011 4.329 4.340 0.001 0.000 0.219 207 L C 1.410 178.297 176.870 0.028 0.000 1.133 207 L CA 0.341 55.209 54.840 0.046 0.000 0.816 207 L CB 0.177 42.262 42.059 0.044 0.000 0.933 207 L HN 0.065 nan 8.230 nan 0.000 0.449 208 V N -0.484 119.443 119.914 0.021 0.000 3.514 208 V HA 0.022 4.143 4.120 0.001 0.000 0.301 208 V C 2.185 178.299 176.094 0.034 0.000 1.346 208 V CA 0.200 62.516 62.300 0.026 0.000 1.156 208 V CB -0.132 31.702 31.823 0.019 0.000 1.029 208 V HN 0.374 nan 8.190 nan 0.000 0.428 209 R N 1.679 122.199 120.500 0.033 0.000 2.103 209 R HA -0.200 4.140 4.340 0.001 0.000 0.242 209 R C 2.248 178.570 176.300 0.038 0.000 1.142 209 R CA 2.426 58.546 56.100 0.034 0.000 0.960 209 R CB -0.323 29.998 30.300 0.034 0.000 0.858 209 R HN 0.692 nan 8.270 nan 0.000 0.439 210 I N -0.832 119.763 120.570 0.041 0.000 2.335 210 I HA -0.195 3.976 4.170 0.001 0.000 0.251 210 I C 1.339 177.499 176.117 0.072 0.000 1.129 210 I CA 1.285 62.615 61.300 0.051 0.000 1.402 210 I CB -0.291 37.739 38.000 0.051 0.000 1.069 210 I HN -0.067 nan 8.210 nan 0.000 0.424 211 K N 1.128 121.573 120.400 0.075 0.000 2.217 211 K HA 0.024 4.344 4.320 0.001 0.000 0.202 211 K C 2.001 178.641 176.600 0.065 0.000 1.051 211 K CA 0.993 57.335 56.287 0.091 0.000 0.952 211 K CB -0.668 31.885 32.500 0.089 0.000 0.736 211 K HN 0.340 nan 8.250 nan 0.000 0.453 212 L N 1.403 122.655 121.223 0.048 0.000 2.156 212 L HA -0.002 4.338 4.340 0.001 0.000 0.208 212 L C 2.470 179.358 176.870 0.029 0.000 1.095 212 L CA 1.340 56.201 54.840 0.036 0.000 0.770 212 L CB -0.327 41.751 42.059 0.030 0.000 0.914 212 L HN 0.078 nan 8.230 nan 0.000 0.439 213 R N -0.370 120.150 120.500 0.033 0.000 2.096 213 R HA -0.211 4.130 4.340 0.001 0.000 0.240 213 R C 1.742 178.056 176.300 0.022 0.000 1.139 213 R CA 2.200 58.316 56.100 0.027 0.000 0.952 213 R CB -0.432 29.888 30.300 0.034 0.000 0.854 213 R HN 0.378 nan 8.270 nan 0.000 0.436 214 D N 0.092 120.516 120.400 0.040 0.000 2.144 214 D HA -0.174 4.466 4.640 0.001 0.000 0.199 214 D C 1.921 178.209 176.300 -0.020 0.000 0.984 214 D CA 1.054 55.064 54.000 0.016 0.000 0.834 214 D CB -0.316 40.528 40.800 0.074 0.000 0.955 214 D HN 0.239 nan 8.370 nan 0.000 0.465 215 Q N 0.847 120.650 119.800 0.005 0.000 2.084 215 Q HA -0.143 4.197 4.340 0.001 0.000 0.202 215 Q C 1.957 177.951 176.000 -0.010 0.000 0.978 215 Q CA 1.543 57.346 55.803 0.001 0.000 0.844 215 Q CB -0.144 28.604 28.738 0.017 0.000 0.898 215 Q HN 0.383 nan 8.270 nan 0.000 0.426 216 Q N -0.720 119.076 119.800 -0.007 0.000 2.049 216 Q HA -0.065 4.275 4.340 0.001 0.000 0.198 216 Q C 2.229 178.214 176.000 -0.025 0.000 0.971 216 Q CA 1.088 56.884 55.803 -0.011 0.000 0.833 216 Q CB -0.101 28.635 28.738 -0.004 0.000 0.896 216 Q HN 0.309 nan 8.270 nan 0.000 0.434 217 R N 0.470 120.950 120.500 -0.033 0.000 2.096 217 R HA -0.202 4.138 4.340 0.001 0.000 0.240 217 R C 2.341 178.592 176.300 -0.081 0.000 1.139 217 R CA 1.442 57.510 56.100 -0.055 0.000 0.952 217 R CB -0.555 29.709 30.300 -0.060 0.000 0.854 217 R HN 0.167 nan 8.270 nan 0.000 0.436 218 L N 1.404 122.571 121.223 -0.092 0.000 2.046 218 L HA -0.164 4.177 4.340 0.001 0.000 0.208 218 L C 1.869 178.707 176.870 -0.052 0.000 1.077 218 L CA 1.847 56.627 54.840 -0.099 0.000 0.747 218 L CB -0.336 41.679 42.059 -0.072 0.000 0.896 218 L HN 0.126 nan 8.230 nan 0.000 0.432 219 E N -0.937 119.243 120.200 -0.032 0.000 2.110 219 E HA -0.208 4.142 4.350 0.001 0.000 0.193 219 E C 2.325 178.911 176.600 -0.022 0.000 0.988 219 E CA 1.200 57.590 56.400 -0.018 0.000 0.804 219 E CB 0.001 29.695 29.700 -0.010 0.000 0.745 219 E HN 0.442 nan 8.360 nan 0.000 0.458 220 R N -0.769 119.713 120.500 -0.030 0.000 2.100 220 R HA -0.026 4.315 4.340 0.001 0.000 0.220 220 R C 2.293 178.572 176.300 -0.035 0.000 1.091 220 R CA 1.668 57.751 56.100 -0.028 0.000 0.986 220 R CB 0.125 30.408 30.300 -0.028 0.000 0.888 220 R HN 0.200 nan 8.270 nan 0.000 0.444 221 T N -4.436 110.087 114.554 -0.051 0.000 2.985 221 T HA 0.207 4.558 4.350 0.001 0.000 0.254 221 T C 1.368 176.026 174.700 -0.070 0.000 1.021 221 T CA 0.547 62.610 62.100 -0.062 0.000 0.957 221 T CB 1.106 69.927 68.868 -0.078 0.000 1.047 221 T HN 0.321 nan 8.240 nan 0.000 0.511 222 G N 1.144 109.905 108.800 -0.065 0.000 2.189 222 G HA2 -0.232 3.728 3.960 0.001 0.000 0.267 222 G HA3 -0.232 3.728 3.960 0.001 0.000 0.267 222 G C -0.065 174.778 174.900 -0.095 0.000 0.975 222 G CA 0.588 45.660 45.100 -0.046 0.000 0.644 222 G HN 0.831 nan 8.290 nan 0.000 0.537 223 I N -0.628 119.801 120.570 -0.234 0.000 2.913 223 I HA 0.644 4.814 4.170 0.001 0.000 0.302 223 I C -0.968 174.731 176.117 -0.696 0.000 1.246 223 I CA -1.237 59.759 61.300 -0.506 0.000 1.010 223 I CB 1.785 39.615 38.000 -0.284 0.000 1.259 223 I HN -0.037 nan 8.210 nan 0.000 0.434 224 L N 6.991 127.470 121.223 -1.239 0.000 2.457 224 L HA 0.467 4.807 4.340 0.001 0.000 0.252 224 L C 1.112 177.763 176.870 -0.366 0.000 1.132 224 L CA -0.361 54.040 54.840 -0.732 0.000 0.938 224 L CB 1.352 42.886 42.059 -0.874 0.000 1.246 224 L HN 0.822 nan 8.230 nan 0.000 0.476 225 A N 1.768 124.472 122.820 -0.194 0.000 1.958 225 A HA -0.211 4.109 4.320 0.001 0.000 0.221 225 A C 2.042 179.622 177.584 -0.006 0.000 1.178 225 A CA 2.215 54.194 52.037 -0.097 0.000 0.642 225 A CB -0.162 18.788 19.000 -0.083 0.000 0.816 225 A HN 0.781 nan 8.150 nan 0.000 0.453 226 E N -1.348 118.925 120.200 0.121 0.000 2.479 226 E HA 0.009 4.359 4.350 0.001 0.000 0.193 226 E C -0.578 176.159 176.600 0.229 0.000 1.049 226 E CA -0.249 56.246 56.400 0.158 0.000 0.870 226 E CB -0.490 29.390 29.700 0.300 0.000 0.944 226 E HN 0.540 nan 8.360 nan 0.000 0.492 227 Y N 1.260 121.628 120.300 0.113 0.000 2.304 227 Y HA 0.233 4.783 4.550 0.001 0.000 0.327 227 Y C -1.290 174.697 175.900 0.145 0.000 1.209 227 Y CA -2.272 55.952 58.100 0.207 0.000 1.299 227 Y CB 0.980 39.677 38.460 0.395 0.000 1.249 227 Y HN -0.127 nan 8.280 nan 0.000 0.519 228 P HA -0.215 nan 4.420 nan 0.000 0.216 228 P C 0.869 178.146 177.300 -0.038 0.000 1.150 228 P CA 1.789 64.896 63.100 0.011 0.000 0.843 228 P CB 0.283 31.959 31.700 -0.040 0.000 0.787 229 Q N -1.048 118.703 119.800 -0.081 0.000 2.364 229 Q HA -0.037 4.303 4.340 0.001 0.000 0.209 229 Q C 1.898 177.889 176.000 -0.015 0.000 0.977 229 Q CA 1.458 57.120 55.803 -0.235 0.000 0.885 229 Q CB -0.721 27.714 28.738 -0.505 0.000 0.941 229 Q HN 0.211 nan 8.270 nan 0.000 0.464 230 A N 0.199 123.160 122.820 0.235 0.000 2.275 230 A HA 0.016 4.337 4.320 0.001 0.000 0.212 230 A C 0.045 177.641 177.584 0.020 0.000 1.201 230 A CA -0.179 51.979 52.037 0.202 0.000 0.843 230 A CB 0.250 19.368 19.000 0.198 0.000 0.873 230 A HN 0.127 nan 8.150 nan 0.000 0.492 231 Q N 0.947 120.728 119.800 -0.031 0.000 2.322 231 Q HA 0.339 4.679 4.340 0.001 0.000 0.256 231 Q C -2.820 173.137 176.000 -0.072 0.000 0.960 231 Q CA -2.442 53.309 55.803 -0.088 0.000 0.934 231 Q CB 0.102 28.748 28.738 -0.152 0.000 1.200 231 Q HN 0.097 nan 8.270 nan 0.000 0.435 232 P HA -0.097 nan 4.420 nan 0.000 0.262 232 P C -0.136 177.118 177.300 -0.078 0.000 1.182 232 P CA 0.301 63.354 63.100 -0.078 0.000 0.761 232 P CB 0.325 31.988 31.700 -0.061 0.000 0.795 233 N N 1.188 119.796 118.700 -0.154 0.000 2.727 233 N HA -0.246 4.495 4.740 0.001 0.000 0.249 233 N C 0.075 175.479 175.510 -0.176 0.000 1.048 233 N CA 0.694 53.617 53.050 -0.211 0.000 0.714 233 N CB -1.425 37.081 38.487 0.033 0.000 0.959 233 N HN 0.526 nan 8.380 nan 0.000 0.544 234 F N -0.374 119.327 119.950 -0.414 0.000 2.602 234 F HA 0.370 4.897 4.527 0.001 0.000 0.284 234 F C 0.913 176.434 175.800 -0.466 0.000 1.111 234 F CA 0.540 58.361 58.000 -0.300 0.000 1.405 234 F CB 0.391 39.244 39.000 -0.246 0.000 1.121 234 F HN 0.117 nan 8.300 nan 0.000 0.603 235 A N 0.843 123.032 122.820 -1.052 0.000 2.304 235 A HA 0.616 4.937 4.320 0.001 0.000 0.323 235 A C -1.670 175.324 177.584 -0.984 0.000 1.195 235 A CA -0.278 51.090 52.037 -1.115 0.000 0.826 235 A CB 0.078 18.358 19.000 -1.201 0.000 1.184 235 A HN 0.269 nan 8.150 nan 0.000 0.496 236 F N 0.806 120.691 119.950 -0.108 0.000 2.556 236 F HA 0.386 4.914 4.527 0.001 0.000 0.314 236 F C 0.322 176.222 175.800 0.167 0.000 1.106 236 F CA -0.700 57.306 58.000 0.010 0.000 0.911 236 F CB 2.057 41.056 39.000 -0.001 0.000 1.190 236 F HN 0.813 nan 8.300 nan 0.000 0.448 237 D N 0.944 121.508 120.400 0.273 0.000 2.371 237 D HA 0.207 4.848 4.640 0.001 0.000 0.242 237 D C 1.099 177.508 176.300 0.182 0.000 1.218 237 D CA -0.573 53.562 54.000 0.226 0.000 0.945 237 D CB 0.837 41.722 40.800 0.142 0.000 1.137 237 D HN 0.620 nan 8.370 nan 0.000 0.464 238 R N 0.344 120.917 120.500 0.122 0.000 2.139 238 R HA -0.160 4.180 4.340 0.001 0.000 0.243 238 R C -0.080 176.254 176.300 0.056 0.000 1.145 238 R CA 1.689 57.834 56.100 0.075 0.000 0.976 238 R CB -0.999 29.329 30.300 0.047 0.000 0.866 238 R HN 0.632 nan 8.270 nan 0.000 0.449 239 D N -0.761 119.674 120.400 0.058 0.000 2.894 239 D HA 0.283 4.923 4.640 0.001 0.000 0.273 239 D C 0.235 176.552 176.300 0.029 0.000 1.328 239 D CA 0.032 54.052 54.000 0.034 0.000 0.845 239 D CB 0.944 41.760 40.800 0.027 0.000 1.072 239 D HN 0.308 nan 8.370 nan 0.000 0.484 240 G N 0.852 109.671 108.800 0.031 0.000 2.248 240 G HA2 -0.244 3.716 3.960 0.001 0.000 0.252 240 G HA3 -0.244 3.716 3.960 0.001 0.000 0.252 240 G C -0.733 174.210 174.900 0.071 0.000 1.085 240 G CA -0.761 44.338 45.100 -0.002 0.000 0.845 240 G HN 0.453 nan 8.290 nan 0.000 0.494 241 N N 0.858 119.660 118.700 0.170 0.000 2.310 241 N HA 0.636 5.376 4.740 0.001 0.000 0.292 241 N C -2.591 173.100 175.510 0.302 0.000 1.049 241 N CA -1.534 51.635 53.050 0.198 0.000 0.849 241 N CB 2.811 41.360 38.487 0.104 0.000 1.532 241 N HN 0.076 nan 8.380 nan 0.000 0.479 242 P HA 0.138 nan 4.420 nan 0.000 0.271 242 P C -0.817 176.393 177.300 -0.151 0.000 1.233 242 P CA -0.154 62.913 63.100 -0.055 0.000 0.789 242 P CB 1.057 32.728 31.700 -0.048 0.000 0.951 243 L N 0.604 121.633 121.223 -0.323 0.000 2.408 243 L HA 0.520 4.861 4.340 0.001 0.000 0.268 243 L C 0.145 176.842 176.870 -0.288 0.000 0.986 243 L CA -0.258 54.419 54.840 -0.272 0.000 0.820 243 L CB 2.117 43.986 42.059 -0.315 0.000 1.303 243 L HN 0.594 nan 8.230 nan 0.000 0.411 244 S N 0.629 116.187 115.700 -0.236 0.000 2.671 244 S HA 0.479 4.950 4.470 0.001 0.000 0.277 244 S C 0.003 174.459 174.600 -0.239 0.000 1.165 244 S CA -0.699 57.384 58.200 -0.194 0.000 0.822 244 S CB 0.958 64.111 63.200 -0.078 0.000 1.150 244 S HN 0.384 nan 8.310 nan 0.000 0.479 245 F N 1.352 121.257 119.950 -0.075 0.000 2.771 245 F HA 0.085 4.613 4.527 0.001 0.000 0.299 245 F C 1.997 177.766 175.800 -0.052 0.000 1.177 245 F CA 0.345 58.305 58.000 -0.067 0.000 1.450 245 F CB -0.252 38.702 39.000 -0.077 0.000 1.114 245 F HN 0.617 nan 8.300 nan 0.000 0.587 246 D N 0.533 120.975 120.400 0.071 0.000 2.133 246 D HA -0.231 4.409 4.640 0.001 0.000 0.192 246 D C 1.552 177.863 176.300 0.019 0.000 1.001 246 D CA 1.487 55.507 54.000 0.032 0.000 0.844 246 D CB -0.161 40.640 40.800 0.001 0.000 0.944 246 D HN 0.262 nan 8.370 nan 0.000 0.447 247 N N -0.848 117.845 118.700 -0.011 0.000 2.236 247 N HA 0.178 4.919 4.740 0.001 0.000 0.196 247 N C -0.311 175.190 175.510 -0.015 0.000 1.114 247 N CA -0.017 53.023 53.050 -0.017 0.000 0.859 247 N CB 0.800 39.266 38.487 -0.035 0.000 0.982 247 N HN 0.137 nan 8.380 nan 0.000 0.493 248 I N 0.654 121.220 120.570 -0.007 0.000 2.328 248 I HA 0.169 4.339 4.170 0.001 0.000 0.287 248 I C 0.652 176.811 176.117 0.070 0.000 1.012 248 I CA -0.210 61.090 61.300 -0.001 0.000 1.195 248 I CB 1.546 39.471 38.000 -0.124 0.000 1.350 248 I HN 0.045 nan 8.210 nan 0.000 0.464 249 T N -0.241 114.339 114.554 0.043 0.000 3.023 249 T HA 0.117 4.468 4.350 0.001 0.000 0.253 249 T C 0.614 175.337 174.700 0.039 0.000 1.038 249 T CA -0.239 61.886 62.100 0.041 0.000 0.962 249 T CB 0.368 69.251 68.868 0.026 0.000 1.018 249 T HN 0.414 nan 8.240 nan 0.000 0.521 250 S N 0.779 116.505 115.700 0.042 0.000 2.536 250 S HA 0.577 5.047 4.470 0.001 0.000 0.287 250 S C -0.352 174.280 174.600 0.053 0.000 1.101 250 S CA -0.631 57.594 58.200 0.042 0.000 0.950 250 S CB 1.583 64.806 63.200 0.040 0.000 1.056 250 S HN 0.201 nan 8.310 nan 0.000 0.481 251 V N 6.729 126.673 119.914 0.050 0.000 2.584 251 V HA 0.164 4.285 4.120 0.001 0.000 0.303 251 V C -1.564 174.595 176.094 0.109 0.000 1.035 251 V CA -0.305 62.028 62.300 0.055 0.000 1.172 251 V CB -0.241 31.627 31.823 0.076 0.000 0.896 251 V HN 0.734 nan 8.190 nan 0.000 0.486 252 P HA 0.422 nan 4.420 nan 0.000 0.285 252 P C -0.724 176.767 177.300 0.318 0.000 1.285 252 P CA -1.088 62.124 63.100 0.187 0.000 0.854 252 P CB 1.149 32.917 31.700 0.113 0.000 1.180 253 R N -0.586 120.070 120.500 0.260 0.000 2.491 253 R HA 0.431 4.771 4.340 0.001 0.000 0.283 253 R C 1.204 177.721 176.300 0.362 0.000 1.072 253 R CA 0.235 56.471 56.100 0.228 0.000 1.048 253 R CB 0.069 30.448 30.300 0.132 0.000 0.983 253 R HN 0.678 nan 8.270 nan 0.000 0.450 254 G N 1.270 110.202 108.800 0.219 0.000 3.863 254 G HA2 0.339 4.300 3.960 0.001 0.000 0.290 254 G HA3 0.339 4.300 3.960 0.001 0.000 0.290 254 G C 0.721 175.736 174.900 0.190 0.000 1.018 254 G CA 0.196 45.468 45.100 0.286 0.000 0.824 254 G HN 0.944 nan 8.290 nan 0.000 0.507 255 G N 1.495 110.076 108.800 -0.364 0.000 2.622 255 G HA2 -0.353 3.608 3.960 0.001 0.000 0.307 255 G HA3 -0.353 3.608 3.960 0.001 0.000 0.307 255 G C 0.552 174.917 174.900 -0.892 0.000 1.226 255 G CA 0.338 44.600 45.100 -1.396 0.000 0.997 255 G HN 0.390 nan 8.290 nan 0.000 0.551 256 N N 2.327 120.365 118.700 -1.102 0.000 2.453 256 N HA 0.497 5.238 4.740 0.001 0.000 0.270 256 N C 0.771 176.029 175.510 -0.420 0.000 1.195 256 N CA 0.636 53.175 53.050 -0.851 0.000 0.902 256 N CB 0.575 38.447 38.487 -1.025 0.000 1.186 256 N HN 0.914 nan 8.380 nan 0.000 0.510 257 A N -0.329 122.477 122.820 -0.023 0.000 2.429 257 A HA 0.420 4.740 4.320 0.001 0.000 0.242 257 A C 1.643 179.310 177.584 0.139 0.000 1.088 257 A CA 0.332 52.509 52.037 0.233 0.000 0.784 257 A CB 0.002 19.081 19.000 0.130 0.000 1.038 257 A HN 0.313 nan 8.150 nan 0.000 0.501 258 G N -0.464 108.459 108.800 0.205 0.000 2.450 258 G HA2 0.222 4.183 3.960 0.001 0.000 0.220 258 G HA3 0.222 4.183 3.960 0.001 0.000 0.220 258 G C 1.452 176.388 174.900 0.060 0.000 1.130 258 G CA 1.558 46.779 45.100 0.203 0.000 0.760 258 G HN 2.341 nan 8.290 nan 0.000 0.557 259 G N -0.939 107.859 108.800 -0.003 0.000 4.365 259 G HA2 -0.100 3.860 3.960 0.001 0.000 0.214 259 G HA3 -0.100 3.860 3.960 0.001 0.000 0.214 259 G C 1.143 176.066 174.900 0.038 0.000 1.450 259 G CA 0.853 45.945 45.100 -0.013 0.000 0.937 259 G HN 1.346 nan 8.290 nan 0.000 0.625 260 G N -0.426 108.405 108.800 0.053 0.000 3.137 260 G HA2 0.530 4.491 3.960 0.001 0.000 0.163 260 G HA3 0.530 4.491 3.960 0.001 0.000 0.163 260 G C 1.289 176.226 174.900 0.063 0.000 1.602 260 G CA 0.892 46.024 45.100 0.053 0.000 1.067 260 G HN 1.508 nan 8.290 nan 0.000 0.568 261 G N -1.242 107.560 108.800 0.003 0.000 3.042 261 G HA2 0.265 4.226 3.960 0.001 0.000 0.212 261 G HA3 0.265 4.226 3.960 0.001 0.000 0.212 261 G C 0.578 175.430 174.900 -0.081 0.000 1.166 261 G CA 0.020 45.062 45.100 -0.097 0.000 0.767 261 G HN 0.383 nan 8.290 nan 0.000 0.546 262 Q N 0.945 120.783 119.800 0.063 0.000 2.454 262 Q HA 0.260 4.600 4.340 0.001 0.000 0.255 262 Q C -2.613 173.535 176.000 0.247 0.000 1.034 262 Q CA -1.817 54.070 55.803 0.140 0.000 0.736 262 Q CB 2.387 31.180 28.738 0.093 0.000 1.210 262 Q HN 0.068 nan 8.270 nan 0.000 0.500 263 P HA 0.119 nan 4.420 nan 0.000 0.267 263 P C -0.296 177.306 177.300 0.503 0.000 1.200 263 P CA 0.065 63.407 63.100 0.404 0.000 0.772 263 P CB 0.840 32.784 31.700 0.406 0.000 0.855 264 G N 0.713 109.792 108.800 0.465 0.000 2.684 264 G HA2 0.573 4.533 3.960 0.001 0.000 0.290 264 G HA3 0.573 4.533 3.960 0.001 0.000 0.290 264 G C -2.410 172.266 174.900 -0.374 0.000 1.425 264 G CA -0.460 44.768 45.100 0.214 0.000 0.822 264 G HN 0.500 nan 8.290 nan 0.000 0.482 265 W N 0.551 121.078 121.300 -1.289 0.000 3.074 265 W HA 0.578 5.239 4.660 0.001 0.000 0.332 265 W C -1.517 174.453 176.519 -0.914 0.000 1.253 265 W CA -0.973 55.701 57.345 -1.118 0.000 1.180 265 W CB 2.408 30.993 29.460 -1.459 0.000 1.445 265 W HN 0.541 nan 8.180 nan 0.000 0.573 266 M N 3.779 122.953 119.600 -0.711 0.000 2.084 266 M HA 0.424 4.905 4.480 0.001 0.000 0.351 266 M C -1.427 174.890 176.300 0.028 0.000 1.240 266 M CA 0.283 55.427 55.300 -0.260 0.000 1.083 266 M CB 0.199 32.607 32.600 -0.321 0.000 1.593 266 M HN 0.181 nan 8.290 nan 0.000 0.463 267 L N 5.288 126.647 121.223 0.227 0.000 2.362 267 L HA 0.500 4.840 4.340 0.001 0.000 0.275 267 L C -0.148 176.870 176.870 0.246 0.000 0.998 267 L CA -1.068 53.943 54.840 0.285 0.000 0.820 267 L CB 1.875 44.119 42.059 0.309 0.000 1.270 267 L HN 0.643 nan 8.230 nan 0.000 0.415 268 K N 1.575 121.973 120.400 -0.003 0.000 2.436 268 K HA 0.236 4.557 4.320 0.001 0.000 0.275 268 K C -0.629 175.878 176.600 -0.155 0.000 0.999 268 K CA -0.179 55.821 56.287 -0.478 0.000 0.980 268 K CB 0.638 32.638 32.500 -0.833 0.000 0.919 268 K HN 0.493 nan 8.250 nan 0.000 0.484 269 C N 1.682 120.876 119.300 -0.178 0.000 2.822 269 C HA 0.322 4.782 4.460 0.001 0.000 0.341 269 C C -0.081 174.984 174.990 0.125 0.000 1.301 269 C CA -1.100 57.930 59.018 0.020 0.000 1.706 269 C CB 1.492 29.212 27.740 -0.034 0.000 2.178 269 C HN 0.764 nan 8.230 nan 0.000 0.481 270 K N 0.609 121.080 120.400 0.119 0.000 2.511 270 K HA 0.257 4.578 4.320 0.001 0.000 0.280 270 K C 1.002 177.636 176.600 0.058 0.000 1.008 270 K CA 1.527 57.879 56.287 0.107 0.000 1.050 270 K CB -0.221 32.321 32.500 0.069 0.000 0.889 270 K HN 1.337 nan 8.250 nan 0.000 0.484 271 G N 5.162 113.963 108.800 0.001 0.000 2.176 271 G HA2 -0.218 3.743 3.960 0.001 0.000 0.232 271 G HA3 -0.218 3.743 3.960 0.001 0.000 0.232 271 G C 0.823 175.667 174.900 -0.093 0.000 0.986 271 G CA 0.383 45.444 45.100 -0.065 0.000 0.643 271 G HN 0.873 nan 8.290 nan 0.000 0.522 272 W N 2.005 123.227 121.300 -0.129 0.000 2.341 272 W HA -0.095 4.565 4.660 0.001 0.000 0.283 272 W C 1.578 178.076 176.519 -0.036 0.000 1.215 272 W CA 1.663 58.904 57.345 -0.172 0.000 1.211 272 W CB -0.720 28.487 29.460 -0.423 0.000 1.131 272 W HN 0.535 nan 8.180 nan 0.000 0.552 273 E N 1.413 121.031 120.200 -0.971 0.000 2.285 273 E HA -0.130 4.221 4.350 0.001 0.000 0.194 273 E C 1.626 178.030 176.600 -0.327 0.000 0.997 273 E CA 1.920 57.783 56.400 -0.895 0.000 0.845 273 E CB -1.034 27.971 29.700 -1.157 0.000 0.782 273 E HN 0.371 nan 8.360 nan 0.000 0.491 274 T N -2.173 112.250 114.554 -0.219 0.000 3.003 274 T HA 0.098 4.448 4.350 0.001 0.000 0.261 274 T C 0.018 174.709 174.700 -0.016 0.000 1.003 274 T CA -0.154 61.892 62.100 -0.090 0.000 0.917 274 T CB 0.284 69.098 68.868 -0.089 0.000 1.084 274 T HN -0.059 nan 8.240 nan 0.000 0.522 275 D N 1.120 121.528 120.400 0.014 0.000 2.446 275 D HA 0.655 5.295 4.640 0.001 0.000 0.251 275 D C 1.317 177.711 176.300 0.156 0.000 1.137 275 D CA -0.366 53.675 54.000 0.068 0.000 0.890 275 D CB 1.262 42.092 40.800 0.051 0.000 1.071 275 D HN 0.103 nan 8.370 nan 0.000 0.528 276 A N 3.626 126.544 122.820 0.163 0.000 1.971 276 A HA -0.210 4.111 4.320 0.001 0.000 0.222 276 A C 1.245 179.005 177.584 0.294 0.000 1.182 276 A CA 1.532 53.702 52.037 0.222 0.000 0.649 276 A CB -0.085 18.991 19.000 0.126 0.000 0.818 276 A HN 0.544 nan 8.150 nan 0.000 0.458 277 D N -0.907 119.627 120.400 0.223 0.000 2.427 277 D HA 0.164 4.804 4.640 0.001 0.000 0.224 277 D C 0.149 176.590 176.300 0.234 0.000 1.157 277 D CA 0.362 54.489 54.000 0.211 0.000 0.828 277 D CB 0.180 41.047 40.800 0.112 0.000 0.974 277 D HN 0.243 nan 8.370 nan 0.000 0.498 278 S N 0.665 116.528 115.700 0.272 0.000 3.158 278 S HA 0.313 4.784 4.470 0.001 0.000 0.215 278 S C -0.933 173.642 174.600 -0.042 0.000 1.359 278 S CA -0.406 57.838 58.200 0.074 0.000 0.974 278 S CB -0.444 62.769 63.200 0.022 0.000 1.336 278 S HN 0.002 nan 8.310 nan 0.000 0.488 279 Y N 0.554 120.857 120.300 0.004 0.000 2.689 279 Y HA 0.680 5.230 4.550 0.001 0.000 0.333 279 Y C -0.276 175.612 175.900 -0.021 0.000 1.190 279 Y CA -0.968 57.139 58.100 0.013 0.000 1.063 279 Y CB 1.580 40.053 38.460 0.022 0.000 1.294 279 Y HN 0.148 nan 8.280 nan 0.000 0.466 280 V N 0.657 120.695 119.914 0.206 0.000 3.007 280 V HA 0.401 4.522 4.120 0.001 0.000 0.311 280 V C -1.743 174.480 176.094 0.215 0.000 1.120 280 V CA -1.035 61.346 62.300 0.134 0.000 0.980 280 V CB 2.603 34.430 31.823 0.007 0.000 1.033 280 V HN 0.658 nan 8.190 nan 0.000 0.429 281 Y N 3.525 123.890 120.300 0.109 0.000 2.387 281 Y HA 0.674 5.225 4.550 0.001 0.000 0.336 281 Y C -1.052 174.981 175.900 0.220 0.000 1.067 281 Y CA -0.671 57.505 58.100 0.127 0.000 1.114 281 Y CB 1.721 40.200 38.460 0.032 0.000 1.208 281 Y HN 0.556 nan 8.280 nan 0.000 0.458 282 F N 4.172 124.021 119.950 -0.170 0.000 2.671 282 F HA 0.397 4.925 4.527 0.001 0.000 0.332 282 F C -1.047 174.822 175.800 0.115 0.000 1.189 282 F CA -0.398 57.644 58.000 0.070 0.000 0.988 282 F CB 1.260 40.380 39.000 0.199 0.000 1.258 282 F HN 0.358 nan 8.300 nan 0.000 0.471 283 T N 7.282 121.828 114.554 -0.013 0.000 2.758 283 T HA 0.444 4.794 4.350 0.001 0.000 0.285 283 T C 0.316 175.068 174.700 0.086 0.000 0.981 283 T CA -0.333 61.868 62.100 0.168 0.000 0.965 283 T CB 0.850 69.825 68.868 0.179 0.000 0.927 283 T HN 0.397 nan 8.240 nan 0.000 0.448 284 I N 3.606 124.346 120.570 0.283 0.000 2.268 284 I HA 0.227 4.398 4.170 0.001 0.000 0.298 284 I C 1.198 177.443 176.117 0.213 0.000 1.185 284 I CA -0.362 61.099 61.300 0.267 0.000 1.548 284 I CB -0.349 37.840 38.000 0.315 0.000 1.492 284 I HN 0.656 nan 8.210 nan 0.000 0.711 285 A N 4.067 126.971 122.820 0.140 0.000 2.520 285 A HA 0.348 4.668 4.320 0.001 0.000 0.235 285 A C 1.602 179.281 177.584 0.158 0.000 1.065 285 A CA 0.543 52.651 52.037 0.119 0.000 0.764 285 A CB 0.425 19.468 19.000 0.072 0.000 1.002 285 A HN 0.793 nan 8.150 nan 0.000 0.502 286 A N 2.415 125.305 122.820 0.116 0.000 1.851 286 A HA -0.212 4.108 4.320 0.001 0.000 0.216 286 A C 1.814 179.485 177.584 0.146 0.000 1.195 286 A CA 1.947 54.054 52.037 0.116 0.000 0.622 286 A CB -0.848 18.177 19.000 0.042 0.000 0.831 286 A HN 1.073 nan 8.150 nan 0.000 0.444 287 N N -1.169 117.595 118.700 0.107 0.000 2.519 287 N HA -0.088 4.652 4.740 0.001 0.000 0.186 287 N C 0.983 176.571 175.510 0.130 0.000 1.062 287 N CA 1.561 54.674 53.050 0.105 0.000 0.910 287 N CB -0.349 38.178 38.487 0.066 0.000 0.958 287 N HN 0.421 nan 8.380 nan 0.000 0.445 288 M N -0.934 118.759 119.600 0.155 0.000 2.333 288 M HA 0.229 4.709 4.480 0.001 0.000 0.257 288 M C 1.234 177.634 176.300 0.168 0.000 1.078 288 M CA -0.320 55.056 55.300 0.126 0.000 1.005 288 M CB -0.102 32.549 32.600 0.085 0.000 1.444 288 M HN 0.254 nan 8.290 nan 0.000 0.496 289 W N 2.006 123.339 121.300 0.054 0.000 2.338 289 W HA -0.141 4.520 4.660 0.001 0.000 0.304 289 W C -1.238 175.325 176.519 0.073 0.000 1.212 289 W CA 1.845 59.234 57.345 0.074 0.000 1.264 289 W CB -1.319 28.189 29.460 0.080 0.000 1.142 289 W HN 0.140 nan 8.180 nan 0.000 0.512 290 P HA -0.241 nan 4.420 nan 0.000 0.214 290 P C 1.361 178.574 177.300 -0.146 0.000 1.163 290 P CA 2.532 65.603 63.100 -0.048 0.000 0.889 290 P CB -0.334 31.404 31.700 0.064 0.000 0.790 291 Q N -0.895 118.858 119.800 -0.077 0.000 2.181 291 Q HA -0.116 4.225 4.340 0.001 0.000 0.205 291 Q C 2.197 177.985 176.000 -0.355 0.000 0.980 291 Q CA 1.239 56.982 55.803 -0.100 0.000 0.862 291 Q CB -0.918 27.851 28.738 0.051 0.000 0.905 291 Q HN 0.279 nan 8.270 nan 0.000 0.429 292 I N -0.667 119.708 120.570 -0.324 0.000 2.252 292 I HA -0.298 3.873 4.170 0.001 0.000 0.245 292 I C 1.815 177.631 176.117 -0.503 0.000 1.102 292 I CA 0.608 61.687 61.300 -0.369 0.000 1.385 292 I CB -0.171 37.669 38.000 -0.266 0.000 1.064 292 I HN 0.298 nan 8.210 nan 0.000 0.414 293 C N 0.747 119.681 119.300 -0.610 0.000 2.419 293 C HA -0.149 4.312 4.460 0.001 0.000 0.281 293 C C 2.275 177.051 174.990 -0.356 0.000 1.336 293 C CA 0.785 59.497 59.018 -0.510 0.000 1.770 293 C CB -1.051 26.406 27.740 -0.471 0.000 1.929 293 C HN 0.534 nan 8.230 nan 0.000 0.509 294 D N -0.120 120.078 120.400 -0.337 0.000 2.213 294 D HA -0.071 4.570 4.640 0.001 0.000 0.205 294 D C 2.020 178.139 176.300 -0.302 0.000 0.961 294 D CA 0.603 54.465 54.000 -0.230 0.000 0.853 294 D CB -0.522 40.243 40.800 -0.060 0.000 0.967 294 D HN 0.472 nan 8.370 nan 0.000 0.496 295 M N 0.344 119.510 119.600 -0.723 0.000 2.159 295 M HA -0.153 4.327 4.480 0.001 0.000 0.263 295 M C 1.424 177.558 176.300 -0.276 0.000 1.063 295 M CA 1.185 56.072 55.300 -0.689 0.000 1.110 295 M CB 0.155 32.113 32.600 -1.070 0.000 1.374 295 M HN -0.124 nan 8.290 nan 0.000 0.411 296 I N 0.623 121.001 120.570 -0.320 0.000 2.353 296 I HA -0.158 4.013 4.170 0.001 0.000 0.248 296 I C 0.722 176.775 176.117 -0.108 0.000 1.119 296 I CA 1.134 62.300 61.300 -0.224 0.000 1.417 296 I CB -1.175 36.674 38.000 -0.251 0.000 1.078 296 I HN 0.401 nan 8.210 nan 0.000 0.421 297 D N 1.701 122.019 120.400 -0.136 0.000 2.737 297 D HA -0.185 4.456 4.640 0.001 0.000 0.243 297 D C 0.074 176.252 176.300 -0.203 0.000 1.109 297 D CA 0.408 54.340 54.000 -0.112 0.000 0.702 297 D CB -0.710 40.079 40.800 -0.019 0.000 1.068 297 D HN 0.277 nan 8.370 nan 0.000 0.432 298 K N 0.780 120.964 120.400 -0.361 0.000 2.592 298 K HA 0.235 4.555 4.320 0.001 0.000 0.212 298 K C -1.798 174.499 176.600 -0.505 0.000 1.013 298 K CA -1.313 54.607 56.287 -0.611 0.000 1.034 298 K CB 1.830 33.578 32.500 -1.252 0.000 1.292 298 K HN 0.075 nan 8.250 nan 0.000 0.521 299 P HA -0.003 nan 4.420 nan 0.000 0.245 299 P C 0.233 177.469 177.300 -0.106 0.000 1.206 299 P CA 0.537 63.537 63.100 -0.167 0.000 0.781 299 P CB 0.520 32.155 31.700 -0.108 0.000 0.994 300 E N -0.769 119.322 120.200 -0.181 0.000 2.204 300 E HA -0.146 4.204 4.350 0.001 0.000 0.195 300 E C 1.196 177.870 176.600 0.124 0.000 0.990 300 E CA 1.044 57.402 56.400 -0.069 0.000 0.821 300 E CB -0.643 28.972 29.700 -0.141 0.000 0.750 300 E HN 0.324 nan 8.360 nan 0.000 0.477 301 W N 1.276 122.534 121.300 -0.069 0.000 3.047 301 W HA 0.138 4.798 4.660 0.001 0.000 0.250 301 W C 1.208 177.938 176.519 0.351 0.000 1.314 301 W CA -0.071 57.337 57.345 0.104 0.000 1.540 301 W CB -0.205 29.385 29.460 0.217 0.000 1.127 301 W HN 0.077 nan 8.180 nan 0.000 0.679 302 K N 0.115 120.741 120.400 0.375 0.000 2.148 302 K HA -0.114 4.206 4.320 0.001 0.000 0.204 302 K C 0.748 177.509 176.600 0.268 0.000 1.050 302 K CA 1.486 57.967 56.287 0.324 0.000 0.942 302 K CB -0.047 32.548 32.500 0.158 0.000 0.724 302 K HN 0.163 nan 8.250 nan 0.000 0.446 303 D N -0.250 120.274 120.400 0.207 0.000 2.479 303 D HA -0.030 4.611 4.640 0.001 0.000 0.216 303 D C 0.082 176.463 176.300 0.135 0.000 1.110 303 D CA -0.084 54.002 54.000 0.143 0.000 0.841 303 D CB 0.068 40.925 40.800 0.097 0.000 1.040 303 D HN -0.033 nan 8.370 nan 0.000 0.505 304 D N 2.906 123.416 120.400 0.183 0.000 2.412 304 D HA 0.005 4.646 4.640 0.001 0.000 0.257 304 D C -1.379 175.003 176.300 0.137 0.000 1.217 304 D CA -1.331 52.781 54.000 0.186 0.000 0.897 304 D CB 1.817 42.789 40.800 0.287 0.000 1.132 304 D HN -0.013 nan 8.370 nan 0.000 0.493 305 P HA 0.014 nan 4.420 nan 0.000 0.236 305 P C 0.743 177.977 177.300 -0.110 0.000 1.177 305 P CA 0.280 63.366 63.100 -0.023 0.000 0.773 305 P CB 0.204 31.891 31.700 -0.023 0.000 0.878 306 A N -1.948 120.806 122.820 -0.111 0.000 2.209 306 A HA -0.070 4.250 4.320 0.001 0.000 0.212 306 A C 1.333 178.536 177.584 -0.634 0.000 1.158 306 A CA 1.026 52.866 52.037 -0.329 0.000 0.742 306 A CB -1.082 17.729 19.000 -0.316 0.000 0.790 306 A HN 0.184 nan 8.150 nan 0.000 0.472 307 Y N -1.276 118.801 120.300 -0.372 0.000 2.494 307 Y HA 0.076 4.626 4.550 0.001 0.000 0.271 307 Y C 1.871 177.283 175.900 -0.814 0.000 1.113 307 Y CA 0.267 58.018 58.100 -0.581 0.000 1.240 307 Y CB 0.362 38.552 38.460 -0.451 0.000 1.268 307 Y HN 0.512 nan 8.280 nan 0.000 0.510 308 N N 0.083 118.572 118.700 -0.351 0.000 2.280 308 N HA 0.053 4.793 4.740 0.001 0.000 0.192 308 N C -0.351 174.955 175.510 -0.341 0.000 1.109 308 N CA 0.453 53.262 53.050 -0.401 0.000 0.855 308 N CB 0.382 38.892 38.487 0.039 0.000 0.974 308 N HN 0.048 nan 8.380 nan 0.000 0.482 309 T N -0.895 113.461 114.554 -0.331 0.000 2.907 309 T HA 0.268 4.618 4.350 0.001 0.000 0.292 309 T C 0.378 174.957 174.700 -0.201 0.000 1.043 309 T CA -0.763 61.227 62.100 -0.184 0.000 1.003 309 T CB 1.600 70.402 68.868 -0.109 0.000 1.084 309 T HN -0.034 nan 8.240 nan 0.000 0.483 310 F N 1.730 121.553 119.950 -0.211 0.000 2.091 310 F HA -0.125 4.402 4.527 0.001 0.000 0.299 310 F C 2.105 177.791 175.800 -0.190 0.000 1.103 310 F CA 1.866 59.755 58.000 -0.186 0.000 1.228 310 F CB -0.266 38.669 39.000 -0.110 0.000 0.984 310 F HN 0.655 nan 8.300 nan 0.000 0.477 311 E N 0.112 120.246 120.200 -0.111 0.000 2.058 311 E HA -0.127 4.224 4.350 0.001 0.000 0.194 311 E C 2.525 178.949 176.600 -0.293 0.000 0.997 311 E CA 1.418 57.699 56.400 -0.197 0.000 0.801 311 E CB -1.152 28.498 29.700 -0.084 0.000 0.746 311 E HN 0.516 nan 8.360 nan 0.000 0.450 312 G N 0.183 108.810 108.800 -0.289 0.000 2.421 312 G HA2 -0.330 3.631 3.960 0.001 0.000 0.216 312 G HA3 -0.330 3.631 3.960 0.001 0.000 0.216 312 G C 1.704 176.308 174.900 -0.494 0.000 1.171 312 G CA 0.874 45.761 45.100 -0.355 0.000 0.775 312 G HN 0.117 nan 8.290 nan 0.000 0.543 313 R N -0.124 120.041 120.500 -0.558 0.000 2.115 313 R HA -0.002 4.339 4.340 0.001 0.000 0.230 313 R C 1.906 177.859 176.300 -0.578 0.000 1.111 313 R CA 0.952 56.667 56.100 -0.641 0.000 0.976 313 R CB -0.193 29.728 30.300 -0.632 0.000 0.870 313 R HN 0.353 nan 8.270 nan 0.000 0.445 314 V N -0.062 119.495 119.914 -0.594 0.000 2.800 314 V HA 0.200 4.321 4.120 0.001 0.000 0.365 314 V C -0.535 175.338 176.094 -0.369 0.000 1.527 314 V CA 0.426 62.413 62.300 -0.523 0.000 1.623 314 V CB -0.117 31.291 31.823 -0.692 0.000 1.407 314 V HN 0.335 nan 8.190 nan 0.000 0.527 315 D N 0.640 120.824 120.400 -0.359 0.000 2.412 315 D HA 0.001 4.642 4.640 0.001 0.000 0.326 315 D C 1.127 177.248 176.300 -0.297 0.000 1.209 315 D CA 0.507 54.337 54.000 -0.282 0.000 0.876 315 D CB -0.044 40.609 40.800 -0.245 0.000 1.344 315 D HN 0.618 nan 8.370 nan 0.000 0.503 316 K N 0.136 120.307 120.400 -0.381 0.000 2.402 316 K HA 0.240 4.560 4.320 0.001 0.000 0.204 316 K C 1.508 177.878 176.600 -0.384 0.000 1.056 316 K CA -0.526 55.533 56.287 -0.380 0.000 1.069 316 K CB 0.533 32.736 32.500 -0.495 0.000 0.888 316 K HN -0.159 nan 8.250 nan 0.000 0.546 317 L N 1.623 122.607 121.223 -0.397 0.000 2.119 317 L HA -0.254 4.086 4.340 0.001 0.000 0.226 317 L C 2.122 178.793 176.870 -0.330 0.000 1.093 317 L CA 1.974 56.588 54.840 -0.377 0.000 0.806 317 L CB -0.418 41.493 42.059 -0.246 0.000 0.902 317 L HN 0.336 nan 8.230 nan 0.000 0.444 318 M N -1.706 117.654 119.600 -0.399 0.000 2.193 318 M HA -0.103 4.377 4.480 0.001 0.000 0.265 318 M C 1.909 178.053 176.300 -0.260 0.000 1.071 318 M CA 1.120 56.126 55.300 -0.491 0.000 1.140 318 M CB -1.389 30.502 32.600 -1.181 0.000 1.369 318 M HN 0.205 nan 8.290 nan 0.000 0.423 319 D N 0.983 121.259 120.400 -0.206 0.000 2.149 319 D HA -0.159 4.482 4.640 0.001 0.000 0.194 319 D C 2.144 178.442 176.300 -0.002 0.000 1.001 319 D CA 1.307 55.264 54.000 -0.071 0.000 0.849 319 D CB -0.341 40.416 40.800 -0.072 0.000 0.939 319 D HN 0.367 nan 8.370 nan 0.000 0.449 320 I N -0.130 120.372 120.570 -0.112 0.000 2.113 320 I HA -0.254 3.917 4.170 0.001 0.000 0.238 320 I C 2.278 178.360 176.117 -0.058 0.000 1.070 320 I CA 0.926 62.180 61.300 -0.077 0.000 1.332 320 I CB -0.400 37.413 38.000 -0.312 0.000 1.044 320 I HN -0.086 nan 8.210 nan 0.000 0.402 321 F N 0.361 120.288 119.950 -0.037 0.000 2.154 321 F HA -0.282 4.245 4.527 0.001 0.000 0.301 321 F C 2.926 178.676 175.800 -0.083 0.000 1.087 321 F CA 1.537 59.490 58.000 -0.078 0.000 1.274 321 F CB -0.542 38.364 39.000 -0.156 0.000 1.009 321 F HN 0.018 nan 8.300 nan 0.000 0.485 322 S N -0.643 115.132 115.700 0.125 0.000 2.419 322 S HA -0.210 4.261 4.470 0.001 0.000 0.233 322 S C 1.735 176.397 174.600 0.102 0.000 1.016 322 S CA 1.021 59.278 58.200 0.094 0.000 0.974 322 S CB -0.469 62.785 63.200 0.090 0.000 0.786 322 S HN 0.402 nan 8.310 nan 0.000 0.492 323 F N 0.906 120.843 119.950 -0.022 0.000 2.530 323 F HA 0.374 4.902 4.527 0.001 0.000 0.292 323 F C 1.504 177.197 175.800 -0.179 0.000 1.109 323 F CA 0.226 58.199 58.000 -0.045 0.000 1.450 323 F CB -0.099 38.938 39.000 0.061 0.000 1.114 323 F HN 0.148 nan 8.300 nan 0.000 0.560 324 I N 0.319 120.666 120.570 -0.372 0.000 2.353 324 I HA -0.230 3.940 4.170 0.001 0.000 0.248 324 I C 2.364 177.844 176.117 -1.061 0.000 1.119 324 I CA 1.443 62.281 61.300 -0.770 0.000 1.417 324 I CB -0.476 37.109 38.000 -0.691 0.000 1.078 324 I HN 0.155 nan 8.210 nan 0.000 0.421 325 E N 0.680 120.538 120.200 -0.569 0.000 2.171 325 E HA -0.280 4.071 4.350 0.001 0.000 0.197 325 E C 2.002 178.382 176.600 -0.367 0.000 0.997 325 E CA 2.003 58.184 56.400 -0.366 0.000 0.810 325 E CB 0.042 29.688 29.700 -0.089 0.000 0.738 325 E HN 0.596 nan 8.360 nan 0.000 0.467 326 T N -1.649 112.650 114.554 -0.426 0.000 3.023 326 T HA 0.021 4.372 4.350 0.001 0.000 0.266 326 T C 1.590 176.113 174.700 -0.296 0.000 1.093 326 T CA 0.279 62.207 62.100 -0.288 0.000 1.129 326 T CB 0.072 68.781 68.868 -0.265 0.000 0.899 326 T HN -0.033 nan 8.240 nan 0.000 0.491 327 K N 0.428 120.513 120.400 -0.525 0.000 2.365 327 K HA 0.129 4.450 4.320 0.001 0.000 0.199 327 K C 0.629 177.304 176.600 0.124 0.000 1.045 327 K CA 0.541 56.657 56.287 -0.285 0.000 0.962 327 K CB -0.165 32.068 32.500 -0.446 0.000 0.759 327 K HN 0.466 nan 8.250 nan 0.000 0.469 328 F N -0.323 119.646 119.950 0.030 0.000 2.678 328 F HA 0.310 4.838 4.527 0.001 0.000 0.305 328 F C 1.842 177.672 175.800 0.050 0.000 1.090 328 F CA -1.064 56.983 58.000 0.079 0.000 1.272 328 F CB -0.770 38.253 39.000 0.038 0.000 1.060 328 F HN -0.153 nan 8.300 nan 0.000 0.576 329 A N 0.689 123.616 122.820 0.179 0.000 2.024 329 A HA -0.194 4.126 4.320 0.001 0.000 0.220 329 A C 1.812 179.477 177.584 0.135 0.000 1.164 329 A CA 2.272 54.398 52.037 0.148 0.000 0.643 329 A CB -0.573 18.489 19.000 0.103 0.000 0.806 329 A HN 0.382 nan 8.150 nan 0.000 0.451 330 D N -1.409 119.059 120.400 0.113 0.000 2.433 330 D HA 0.109 4.749 4.640 0.001 0.000 0.211 330 D C 0.189 176.528 176.300 0.065 0.000 1.114 330 D CA 0.037 54.080 54.000 0.072 0.000 0.837 330 D CB -0.019 40.807 40.800 0.043 0.000 0.984 330 D HN 0.373 nan 8.370 nan 0.000 0.505 331 K N 1.303 121.761 120.400 0.097 0.000 2.203 331 K HA 0.296 4.617 4.320 0.001 0.000 0.251 331 K C -0.305 176.337 176.600 0.069 0.000 0.944 331 K CA -0.906 55.429 56.287 0.079 0.000 0.829 331 K CB 1.673 34.234 32.500 0.103 0.000 1.125 331 K HN 0.006 nan 8.250 nan 0.000 0.430 332 D N 1.607 122.038 120.400 0.051 0.000 2.329 332 D HA 0.066 4.706 4.640 0.001 0.000 0.246 332 D C 0.642 176.916 176.300 -0.043 0.000 1.111 332 D CA -0.384 53.627 54.000 0.018 0.000 0.941 332 D CB 1.140 41.971 40.800 0.052 0.000 1.169 332 D HN 0.480 nan 8.370 nan 0.000 0.441 333 K N -0.035 120.272 120.400 -0.155 0.000 2.298 333 K HA -0.335 3.985 4.320 0.001 0.000 0.206 333 K C 1.798 178.238 176.600 -0.267 0.000 0.807 333 K CA 2.840 58.928 56.287 -0.333 0.000 1.023 333 K CB -0.576 31.485 32.500 -0.732 0.000 1.086 333 K HN 0.453 nan 8.250 nan 0.000 0.566 334 F N 0.326 120.295 119.950 0.031 0.000 2.163 334 F HA -0.063 4.464 4.527 0.001 0.000 0.297 334 F C 2.539 178.365 175.800 0.043 0.000 1.094 334 F CA 1.274 59.295 58.000 0.035 0.000 1.290 334 F CB -0.505 38.514 39.000 0.031 0.000 1.017 334 F HN 0.268 nan 8.300 nan 0.000 0.483 335 E N 0.640 120.964 120.200 0.206 0.000 2.070 335 E HA -0.190 4.161 4.350 0.001 0.000 0.197 335 E C 2.308 179.013 176.600 0.174 0.000 1.004 335 E CA 1.709 58.197 56.400 0.147 0.000 0.805 335 E CB -0.138 29.618 29.700 0.093 0.000 0.744 335 E HN 0.218 nan 8.360 nan 0.000 0.451 336 V N 0.465 120.436 119.914 0.095 0.000 2.358 336 V HA -0.225 3.895 4.120 0.001 0.000 0.246 336 V C 2.373 178.518 176.094 0.085 0.000 1.047 336 V CA 2.068 64.393 62.300 0.041 0.000 1.035 336 V CB -0.673 30.907 31.823 -0.405 0.000 0.658 336 V HN 0.329 nan 8.190 nan 0.000 0.452 337 T N -0.380 114.214 114.554 0.065 0.000 2.708 337 T HA -0.242 4.108 4.350 0.001 0.000 0.266 337 T C 1.899 176.690 174.700 0.153 0.000 1.037 337 T CA 1.906 64.062 62.100 0.094 0.000 1.146 337 T CB -0.191 68.743 68.868 0.110 0.000 0.865 337 T HN 0.659 nan 8.240 nan 0.000 0.435 338 E N -0.509 119.803 120.200 0.187 0.000 2.153 338 E HA -0.168 4.182 4.350 0.001 0.000 0.194 338 E C 1.975 178.733 176.600 0.264 0.000 0.988 338 E CA 0.926 57.438 56.400 0.185 0.000 0.811 338 E CB -0.163 29.631 29.700 0.156 0.000 0.746 338 E HN 0.580 nan 8.360 nan 0.000 0.466 339 W N 1.235 122.589 121.300 0.090 0.000 2.358 339 W HA -0.031 4.630 4.660 0.001 0.000 0.303 339 W C 2.074 178.733 176.519 0.233 0.000 1.208 339 W CA 1.960 59.392 57.345 0.144 0.000 1.274 339 W CB -0.849 28.704 29.460 0.156 0.000 1.138 339 W HN 0.166 nan 8.180 nan 0.000 0.515 340 A N 0.354 123.332 122.820 0.264 0.000 1.968 340 A HA 0.125 4.445 4.320 0.001 0.000 0.217 340 A C 2.129 179.805 177.584 0.154 0.000 1.169 340 A CA 2.073 54.197 52.037 0.144 0.000 0.638 340 A CB -1.218 17.828 19.000 0.077 0.000 0.812 340 A HN 0.305 nan 8.150 nan 0.000 0.446 341 A N -0.937 121.964 122.820 0.136 0.000 2.066 341 A HA -0.114 4.206 4.320 0.001 0.000 0.218 341 A C 1.989 179.613 177.584 0.067 0.000 1.157 341 A CA 1.203 53.294 52.037 0.090 0.000 0.670 341 A CB -0.423 18.623 19.000 0.077 0.000 0.804 341 A HN 0.604 nan 8.150 nan 0.000 0.453 342 Q N -1.777 118.062 119.800 0.065 0.000 2.291 342 Q HA -0.154 4.187 4.340 0.001 0.000 0.206 342 Q C 0.156 176.006 176.000 -0.251 0.000 0.976 342 Q CA 1.175 56.921 55.803 -0.095 0.000 0.875 342 Q CB -0.095 28.561 28.738 -0.137 0.000 0.927 342 Q HN 0.897 nan 8.270 nan 0.000 0.450 343 Y N -1.428 118.895 120.300 0.039 0.000 2.696 343 Y HA 0.271 4.821 4.550 0.001 0.000 0.260 343 Y C 1.175 177.074 175.900 -0.002 0.000 1.165 343 Y CA -0.050 58.058 58.100 0.012 0.000 1.189 343 Y CB 0.764 39.214 38.460 -0.017 0.000 1.180 343 Y HN 0.058 nan 8.280 nan 0.000 0.538 344 G N 1.549 110.413 108.800 0.107 0.000 2.439 344 G HA2 -0.338 3.622 3.960 0.001 0.000 0.305 344 G HA3 -0.338 3.622 3.960 0.001 0.000 0.305 344 G C 0.222 175.150 174.900 0.047 0.000 0.966 344 G CA 0.366 45.505 45.100 0.066 0.000 0.890 344 G HN 0.462 nan 8.290 nan 0.000 0.513 345 I N 1.277 121.873 120.570 0.042 0.000 2.496 345 I HA 0.175 4.345 4.170 0.001 0.000 0.285 345 I C -1.433 174.629 176.117 -0.091 0.000 1.080 345 I CA -2.028 59.233 61.300 -0.064 0.000 1.404 345 I CB 0.992 38.909 38.000 -0.139 0.000 1.403 345 I HN -0.087 nan 8.210 nan 0.000 0.539 346 P HA 0.046 nan 4.420 nan 0.000 0.263 346 P C -0.755 176.482 177.300 -0.106 0.000 1.601 346 P CA -0.074 62.983 63.100 -0.071 0.000 1.161 346 P CB -0.045 31.638 31.700 -0.029 0.000 1.730 347 C N 2.969 122.232 119.300 -0.062 0.000 2.609 347 C HA 0.900 5.360 4.460 0.001 0.000 0.313 347 C C -0.038 174.985 174.990 0.056 0.000 1.175 347 C CA -0.064 58.952 59.018 -0.003 0.000 1.434 347 C CB 1.337 29.059 27.740 -0.029 0.000 2.005 347 C HN 0.600 nan 8.230 nan 0.000 0.471 348 G N 4.861 113.716 108.800 0.092 0.000 2.690 348 G HA2 0.803 4.763 3.960 0.001 0.000 0.291 348 G HA3 0.803 4.763 3.960 0.001 0.000 0.291 348 G C -3.401 171.536 174.900 0.062 0.000 1.403 348 G CA -0.851 44.294 45.100 0.076 0.000 0.864 348 G HN 0.620 nan 8.290 nan 0.000 0.480 349 P HA 0.342 nan 4.420 nan 0.000 0.281 349 P C -0.078 177.220 177.300 -0.003 0.000 1.249 349 P CA -0.401 62.663 63.100 -0.060 0.000 0.810 349 P CB 1.811 33.369 31.700 -0.236 0.000 1.008 350 V N 4.234 124.154 119.914 0.010 0.000 2.421 350 V HA 0.027 4.148 4.120 0.001 0.000 0.271 350 V C 0.986 177.087 176.094 0.012 0.000 1.031 350 V CA 0.345 62.659 62.300 0.024 0.000 1.032 350 V CB -0.446 31.411 31.823 0.057 0.000 1.009 350 V HN 0.465 nan 8.190 nan 0.000 0.477 351 M N 4.687 124.307 119.600 0.033 0.000 2.211 351 M HA 0.296 4.777 4.480 0.001 0.000 0.356 351 M C 0.549 176.882 176.300 0.056 0.000 1.216 351 M CA 0.232 55.574 55.300 0.069 0.000 1.134 351 M CB 1.272 33.923 32.600 0.084 0.000 1.564 351 M HN 0.747 nan 8.290 nan 0.000 0.463 352 S N 2.762 118.508 115.700 0.077 0.000 2.669 352 S HA 0.407 4.877 4.470 0.001 0.000 0.270 352 S C 1.098 175.730 174.600 0.054 0.000 1.225 352 S CA -0.786 57.454 58.200 0.066 0.000 0.991 352 S CB 1.186 64.437 63.200 0.085 0.000 0.987 352 S HN 0.655 nan 8.310 nan 0.000 0.552 353 M N 0.866 120.490 119.600 0.040 0.000 2.200 353 M HA 0.029 4.510 4.480 0.001 0.000 0.265 353 M C 2.089 178.406 176.300 0.029 0.000 1.066 353 M CA 1.472 56.784 55.300 0.021 0.000 1.127 353 M CB -1.439 31.167 32.600 0.011 0.000 1.379 353 M HN 0.863 nan 8.290 nan 0.000 0.420 354 K N 0.750 121.193 120.400 0.071 0.000 2.147 354 K HA -0.166 4.155 4.320 0.001 0.000 0.205 354 K C 1.631 178.330 176.600 0.165 0.000 1.049 354 K CA 1.273 57.640 56.287 0.133 0.000 0.936 354 K CB 0.079 32.668 32.500 0.147 0.000 0.722 354 K HN 0.396 nan 8.250 nan 0.000 0.446 355 E N 0.358 120.636 120.200 0.130 0.000 2.106 355 E HA -0.130 4.220 4.350 0.001 0.000 0.192 355 E C 2.003 178.653 176.600 0.083 0.000 0.984 355 E CA 0.886 57.370 56.400 0.141 0.000 0.806 355 E CB 0.075 29.884 29.700 0.182 0.000 0.750 355 E HN 0.280 nan 8.360 nan 0.000 0.458 356 L N 0.010 121.253 121.223 0.033 0.000 2.209 356 L HA 0.017 4.357 4.340 0.001 0.000 0.207 356 L C 2.444 179.254 176.870 -0.099 0.000 1.094 356 L CA 0.509 55.339 54.840 -0.016 0.000 0.790 356 L CB -0.206 41.842 42.059 -0.017 0.000 0.932 356 L HN 0.107 nan 8.230 nan 0.000 0.447 357 A N -0.337 122.373 122.820 -0.183 0.000 2.019 357 A HA -0.202 4.119 4.320 0.001 0.000 0.219 357 A C 1.466 178.666 177.584 -0.639 0.000 1.164 357 A CA 1.602 53.387 52.037 -0.420 0.000 0.644 357 A CB -0.630 18.058 19.000 -0.520 0.000 0.805 357 A HN 0.571 nan 8.150 nan 0.000 0.449 358 H N -1.883 117.187 119.070 0.000 0.000 2.923 358 H HA 0.222 4.779 4.556 0.001 0.000 0.268 358 H C -0.416 174.903 175.328 -0.015 0.000 1.148 358 H CA -0.515 55.528 56.048 -0.008 0.000 1.146 358 H CB 0.133 29.893 29.762 -0.003 0.000 1.607 358 H HN 0.423 nan 8.280 nan 0.000 0.566 359 D N 2.554 122.968 120.400 0.024 0.000 2.487 359 D HA -0.033 4.607 4.640 0.001 0.000 0.243 359 D C -1.264 175.030 176.300 -0.009 0.000 1.154 359 D CA -1.306 52.698 54.000 0.007 0.000 0.876 359 D CB 1.273 42.070 40.800 -0.005 0.000 1.161 359 D HN 0.106 nan 8.370 nan 0.000 0.478 360 P HA -0.061 nan 4.420 nan 0.000 0.220 360 P C 1.017 178.298 177.300 -0.031 0.000 1.152 360 P CA 0.555 63.643 63.100 -0.020 0.000 0.812 360 P CB 0.275 31.962 31.700 -0.023 0.000 0.792 361 S N 0.146 115.827 115.700 -0.032 0.000 2.355 361 S HA -0.045 4.425 4.470 0.001 0.000 0.222 361 S C 1.873 176.448 174.600 -0.042 0.000 1.031 361 S CA 1.010 59.188 58.200 -0.035 0.000 0.993 361 S CB -1.139 62.043 63.200 -0.030 0.000 0.859 361 S HN 0.129 nan 8.310 nan 0.000 0.453 362 L N 1.492 122.689 121.223 -0.043 0.000 2.265 362 L HA -0.132 4.209 4.340 0.001 0.000 0.215 362 L C 2.581 179.412 176.870 -0.065 0.000 1.117 362 L CA 0.939 55.746 54.840 -0.056 0.000 0.782 362 L CB -0.518 41.507 42.059 -0.057 0.000 0.914 362 L HN 0.386 nan 8.230 nan 0.000 0.441 363 Q N -0.223 119.542 119.800 -0.058 0.000 2.212 363 Q HA -0.155 4.186 4.340 0.001 0.000 0.199 363 Q C 2.042 178.005 176.000 -0.062 0.000 0.950 363 Q CA 0.696 56.462 55.803 -0.063 0.000 0.863 363 Q CB 0.021 28.728 28.738 -0.051 0.000 0.944 363 Q HN 0.426 nan 8.270 nan 0.000 0.465 364 K N 1.334 121.703 120.400 -0.053 0.000 2.025 364 K HA -0.106 4.214 4.320 0.001 0.000 0.207 364 K C 1.929 178.493 176.600 -0.059 0.000 1.049 364 K CA 1.453 57.709 56.287 -0.050 0.000 0.933 364 K CB 0.073 32.547 32.500 -0.042 0.000 0.714 364 K HN 0.188 nan 8.250 nan 0.000 0.438 365 V N -1.937 117.939 119.914 -0.062 0.000 3.592 365 V HA 0.234 4.354 4.120 0.001 0.000 0.272 365 V C 0.872 176.914 176.094 -0.087 0.000 1.228 365 V CA 0.772 63.030 62.300 -0.070 0.000 1.173 365 V CB -0.717 31.066 31.823 -0.067 0.000 0.873 365 V HN 0.484 nan 8.190 nan 0.000 0.476 366 G N -0.017 108.728 108.800 -0.092 0.000 2.153 366 G HA2 -0.307 3.653 3.960 0.001 0.000 0.252 366 G HA3 -0.307 3.653 3.960 0.001 0.000 0.252 366 G C 0.573 175.396 174.900 -0.127 0.000 0.994 366 G CA 0.821 45.852 45.100 -0.114 0.000 0.698 366 G HN 0.563 nan 8.290 nan 0.000 0.521 367 T N -0.882 113.605 114.554 -0.112 0.000 3.009 367 T HA 0.286 4.636 4.350 0.001 0.000 0.258 367 T C 1.037 175.670 174.700 -0.111 0.000 1.063 367 T CA 1.151 63.182 62.100 -0.115 0.000 1.139 367 T CB 0.444 69.250 68.868 -0.105 0.000 0.890 367 T HN 0.276 nan 8.240 nan 0.000 0.471 368 V N 2.472 122.324 119.914 -0.104 0.000 2.384 368 V HA 0.523 4.643 4.120 0.001 0.000 0.287 368 V C -0.592 175.434 176.094 -0.114 0.000 1.020 368 V CA -0.660 61.577 62.300 -0.106 0.000 0.850 368 V CB 1.729 33.491 31.823 -0.101 0.000 0.987 368 V HN 0.004 nan 8.190 nan 0.000 0.436 369 V N 3.979 123.814 119.914 -0.131 0.000 2.656 369 V HA 0.430 4.550 4.120 0.001 0.000 0.307 369 V C -0.132 175.867 176.094 -0.158 0.000 1.051 369 V CA -0.816 61.395 62.300 -0.148 0.000 0.893 369 V CB 2.121 33.830 31.823 -0.191 0.000 0.999 369 V HN 0.905 nan 8.190 nan 0.000 0.426 370 E N 2.409 122.523 120.200 -0.143 0.000 2.229 370 E HA 0.467 4.817 4.350 0.001 0.000 0.283 370 E C -1.205 175.278 176.600 -0.196 0.000 1.030 370 E CA -0.349 55.959 56.400 -0.154 0.000 0.836 370 E CB 1.533 31.175 29.700 -0.095 0.000 1.068 370 E HN 0.508 nan 8.360 nan 0.000 0.401 371 V N 5.097 124.825 119.914 -0.310 0.000 2.407 371 V HA 0.125 4.245 4.120 0.001 0.000 0.278 371 V C 0.061 176.045 176.094 -0.183 0.000 1.037 371 V CA -0.770 61.347 62.300 -0.306 0.000 0.900 371 V CB 1.579 33.065 31.823 -0.562 0.000 0.983 371 V HN 0.484 nan 8.190 nan 0.000 0.459 372 V N 4.547 124.410 119.914 -0.086 0.000 2.370 372 V HA 0.183 4.304 4.120 0.001 0.000 0.257 372 V C 0.112 176.219 176.094 0.021 0.000 1.064 372 V CA 0.185 62.469 62.300 -0.025 0.000 0.975 372 V CB 0.791 32.603 31.823 -0.019 0.000 1.067 372 V HN 0.922 nan 8.190 nan 0.000 0.485 373 D N 4.619 125.055 120.400 0.059 0.000 2.432 373 D HA 0.129 4.769 4.640 0.001 0.000 0.265 373 D C 1.285 177.636 176.300 0.085 0.000 1.160 373 D CA -0.459 53.605 54.000 0.107 0.000 0.911 373 D CB 1.193 42.119 40.800 0.209 0.000 1.052 373 D HN 0.603 nan 8.370 nan 0.000 0.508 374 E N 2.848 123.085 120.200 0.062 0.000 2.463 374 E HA -0.127 4.224 4.350 0.001 0.000 0.201 374 E C 1.035 177.663 176.600 0.046 0.000 1.045 374 E CA 0.615 57.043 56.400 0.047 0.000 0.872 374 E CB 0.023 29.744 29.700 0.036 0.000 0.797 374 E HN 0.593 nan 8.360 nan 0.000 0.538 375 I N -0.010 120.594 120.570 0.056 0.000 3.039 375 I HA 0.030 4.201 4.170 0.001 0.000 0.270 375 I C 2.425 178.573 176.117 0.052 0.000 1.150 375 I CA 0.225 61.554 61.300 0.049 0.000 1.448 375 I CB 0.164 38.192 38.000 0.048 0.000 1.197 375 I HN -0.061 nan 8.210 nan 0.000 0.450 376 R N 0.939 121.481 120.500 0.069 0.000 2.265 376 R HA 0.374 4.714 4.340 0.001 0.000 0.194 376 R C 0.376 176.718 176.300 0.070 0.000 0.931 376 R CA 0.528 56.666 56.100 0.065 0.000 1.032 376 R CB 0.539 30.878 30.300 0.066 0.000 0.980 376 R HN 0.317 nan 8.270 nan 0.000 0.497 377 G N 1.778 110.627 108.800 0.082 0.000 2.784 377 G HA2 -0.195 3.766 3.960 0.001 0.000 0.686 377 G HA3 -0.195 3.766 3.960 0.001 0.000 0.686 377 G C -1.014 173.971 174.900 0.141 0.000 1.156 377 G CA -0.929 44.224 45.100 0.089 0.000 0.757 377 G HN 0.296 nan 8.290 nan 0.000 0.642 378 N N 0.757 119.523 118.700 0.110 0.000 2.329 378 N HA 0.353 5.094 4.740 0.001 0.000 0.237 378 N C 0.397 176.011 175.510 0.173 0.000 1.258 378 N CA 1.410 54.520 53.050 0.101 0.000 0.866 378 N CB 0.193 38.697 38.487 0.028 0.000 1.102 378 N HN 0.924 nan 8.380 nan 0.000 0.440 379 H N -1.710 117.372 119.070 0.020 0.000 3.037 379 H HA 0.442 4.999 4.556 0.001 0.000 0.355 379 H C -1.164 174.163 175.328 -0.003 0.000 1.263 379 H CA -1.017 55.041 56.048 0.016 0.000 1.129 379 H CB 0.615 30.393 29.762 0.027 0.000 1.861 379 H HN 0.183 nan 8.280 nan 0.000 0.546 380 L N 0.889 122.121 121.223 0.016 0.000 2.456 380 L HA 0.593 4.933 4.340 0.001 0.000 0.257 380 L C 0.300 177.174 176.870 0.006 0.000 1.162 380 L CA -0.330 54.473 54.840 -0.062 0.000 0.808 380 L CB 1.515 43.543 42.059 -0.052 0.000 1.136 380 L HN 0.866 nan 8.230 nan 0.000 0.466 381 T N -0.100 114.417 114.554 -0.062 0.000 2.786 381 T HA 0.406 4.757 4.350 0.001 0.000 0.316 381 T C -1.224 173.432 174.700 -0.074 0.000 1.503 381 T CA -0.455 61.626 62.100 -0.031 0.000 1.019 381 T CB 1.607 70.489 68.868 0.022 0.000 1.415 381 T HN 0.188 nan 8.240 nan 0.000 0.496 382 V N 2.994 122.863 119.914 -0.076 0.000 2.583 382 V HA 0.633 4.754 4.120 0.001 0.000 0.287 382 V C 1.315 177.388 176.094 -0.035 0.000 1.051 382 V CA 0.389 62.641 62.300 -0.079 0.000 1.010 382 V CB 0.928 32.695 31.823 -0.093 0.000 0.988 382 V HN 1.044 nan 8.190 nan 0.000 0.478 383 G N 2.572 111.321 108.800 -0.084 0.000 2.945 383 G HA2 0.598 4.559 3.960 0.001 0.000 0.156 383 G HA3 0.598 4.559 3.960 0.001 0.000 0.156 383 G C -0.023 174.862 174.900 -0.024 0.000 1.375 383 G CA -0.136 44.891 45.100 -0.120 0.000 1.039 383 G HN 1.037 nan 8.290 nan 0.000 0.586 384 A N 0.432 123.217 122.820 -0.059 0.000 2.347 384 A HA 0.571 4.892 4.320 0.001 0.000 0.287 384 A C -1.503 175.905 177.584 -0.295 0.000 1.199 384 A CA -1.022 50.980 52.037 -0.058 0.000 0.851 384 A CB 0.712 19.825 19.000 0.188 0.000 1.118 384 A HN 0.271 nan 8.150 nan 0.000 0.525 385 P HA 0.032 nan 4.420 nan 0.000 0.237 385 P C -0.484 176.486 177.300 -0.549 0.000 1.178 385 P CA 0.719 63.483 63.100 -0.560 0.000 0.766 385 P CB -0.104 31.236 31.700 -0.600 0.000 0.876 386 F N -0.419 119.526 119.950 -0.008 0.000 2.443 386 F HA 0.575 5.103 4.527 0.001 0.000 0.335 386 F C 0.612 176.267 175.800 -0.242 0.000 1.104 386 F CA -1.446 56.453 58.000 -0.168 0.000 1.013 386 F CB 0.907 39.813 39.000 -0.156 0.000 1.136 386 F HN -0.467 nan 8.300 nan 0.000 0.470 387 K N 3.155 123.405 120.400 -0.249 0.000 2.270 387 K HA 0.587 4.908 4.320 0.001 0.000 0.255 387 K C -1.521 174.859 176.600 -0.367 0.000 0.936 387 K CA -0.691 55.485 56.287 -0.186 0.000 0.809 387 K CB 2.147 34.575 32.500 -0.121 0.000 1.131 387 K HN 0.547 nan 8.250 nan 0.000 0.427 388 F N 0.074 119.982 119.950 -0.070 0.000 2.540 388 F HA 0.131 4.659 4.527 0.001 0.000 0.317 388 F C 1.539 177.323 175.800 -0.027 0.000 1.104 388 F CA -0.700 57.293 58.000 -0.013 0.000 0.913 388 F CB 1.967 40.989 39.000 0.036 0.000 1.170 388 F HN 0.541 nan 8.300 nan 0.000 0.450 389 S N 0.164 115.966 115.700 0.170 0.000 2.507 389 S HA 0.014 4.484 4.470 0.001 0.000 0.235 389 S C 1.465 176.141 174.600 0.126 0.000 0.988 389 S CA 0.849 59.112 58.200 0.105 0.000 0.944 389 S CB -0.263 62.979 63.200 0.071 0.000 0.762 389 S HN 0.880 nan 8.310 nan 0.000 0.526 390 G N 0.171 109.097 108.800 0.210 0.000 3.274 390 G HA2 0.519 4.480 3.960 0.001 0.000 0.250 390 G HA3 0.519 4.480 3.960 0.001 0.000 0.250 390 G C -0.137 174.933 174.900 0.282 0.000 1.024 390 G CA -0.318 44.900 45.100 0.197 0.000 0.840 390 G HN 0.636 nan 8.290 nan 0.000 0.522 391 F N -1.410 118.568 119.950 0.047 0.000 2.713 391 F HA 0.800 5.327 4.527 0.001 0.000 0.311 391 F C -1.690 174.132 175.800 0.036 0.000 1.141 391 F CA -1.528 56.474 58.000 0.002 0.000 0.939 391 F CB 1.460 40.418 39.000 -0.071 0.000 1.325 391 F HN -0.138 nan 8.300 nan 0.000 0.453 392 Q N 2.859 122.461 119.800 -0.329 0.000 2.340 392 Q HA 0.562 4.902 4.340 0.001 0.000 0.268 392 Q C -2.675 173.215 176.000 -0.184 0.000 1.031 392 Q CA -2.206 53.368 55.803 -0.382 0.000 0.804 392 Q CB 2.435 31.082 28.738 -0.151 0.000 1.286 392 Q HN 0.414 nan 8.270 nan 0.000 0.448 393 P HA 0.009 nan 4.420 nan 0.000 0.267 393 P C -1.040 176.214 177.300 -0.078 0.000 1.200 393 P CA -0.019 63.080 63.100 -0.002 0.000 0.772 393 P CB 0.626 32.272 31.700 -0.090 0.000 0.855 394 E N 1.503 121.679 120.200 -0.039 0.000 2.207 394 E HA 0.377 4.728 4.350 0.001 0.000 0.250 394 E C -0.762 175.783 176.600 -0.091 0.000 0.890 394 E CA -0.393 55.972 56.400 -0.058 0.000 0.749 394 E CB 0.196 29.897 29.700 0.002 0.000 1.193 394 E HN 0.319 nan 8.360 nan 0.000 0.423 395 I N 2.561 123.025 120.570 -0.177 0.000 2.365 395 I HA 0.313 4.484 4.170 0.001 0.000 0.291 395 I C 0.220 176.301 176.117 -0.060 0.000 1.004 395 I CA -0.020 61.167 61.300 -0.188 0.000 1.311 395 I CB 1.853 39.622 38.000 -0.385 0.000 1.401 395 I HN 0.314 nan 8.210 nan 0.000 0.491 396 T N 5.117 119.687 114.554 0.027 0.000 2.912 396 T HA 0.443 4.793 4.350 0.001 0.000 0.299 396 T C -0.510 174.245 174.700 0.091 0.000 1.052 396 T CA -0.877 61.253 62.100 0.050 0.000 0.996 396 T CB 1.241 70.141 68.868 0.054 0.000 1.070 396 T HN 0.638 nan 8.240 nan 0.000 0.465 397 R N 2.082 122.642 120.500 0.099 0.000 2.641 397 R HA 0.734 5.075 4.340 0.001 0.000 0.269 397 R C 0.345 176.734 176.300 0.149 0.000 1.074 397 R CA -0.550 55.638 56.100 0.147 0.000 1.133 397 R CB 0.167 30.562 30.300 0.158 0.000 1.029 397 R HN 0.562 nan 8.270 nan 0.000 0.488 398 A N 3.291 126.201 122.820 0.151 0.000 2.520 398 A HA 0.253 4.574 4.320 0.001 0.000 0.235 398 A C -1.899 175.831 177.584 0.242 0.000 1.065 398 A CA -1.064 51.045 52.037 0.121 0.000 0.764 398 A CB -0.472 18.530 19.000 0.004 0.000 1.002 398 A HN 0.765 nan 8.150 nan 0.000 0.502 399 P HA 0.367 nan 4.420 nan 0.000 0.288 399 P C -0.554 176.922 177.300 0.292 0.000 1.267 399 P CA -0.349 62.941 63.100 0.317 0.000 0.815 399 P CB 0.735 32.654 31.700 0.365 0.000 0.989 400 L N 2.252 123.564 121.223 0.148 0.000 2.483 400 L HA 0.047 4.388 4.340 0.001 0.000 0.275 400 L C 1.189 178.079 176.870 0.033 0.000 1.220 400 L CA -0.761 54.111 54.840 0.052 0.000 0.833 400 L CB -0.110 41.955 42.059 0.010 0.000 1.102 400 L HN 0.311 nan 8.230 nan 0.000 0.490 401 L N 3.258 124.460 121.223 -0.035 0.000 2.660 401 L HA 0.152 4.493 4.340 0.001 0.000 0.272 401 L C 1.012 177.890 176.870 0.013 0.000 1.194 401 L CA 1.415 56.240 54.840 -0.025 0.000 0.945 401 L CB -0.182 41.840 42.059 -0.061 0.000 1.212 401 L HN 0.797 nan 8.230 nan 0.000 0.490 402 G N 2.800 111.628 108.800 0.045 0.000 2.143 402 G HA2 -0.326 3.634 3.960 0.001 0.000 0.248 402 G HA3 -0.326 3.634 3.960 0.001 0.000 0.248 402 G C 0.893 175.814 174.900 0.035 0.000 0.991 402 G CA 0.569 45.701 45.100 0.053 0.000 0.689 402 G HN 0.747 nan 8.290 nan 0.000 0.522 403 E N -0.727 119.471 120.200 -0.003 0.000 2.153 403 E HA -0.116 4.235 4.350 0.001 0.000 0.194 403 E C 1.647 178.090 176.600 -0.262 0.000 0.988 403 E CA 1.310 57.605 56.400 -0.175 0.000 0.811 403 E CB 0.002 29.510 29.700 -0.319 0.000 0.746 403 E HN 0.833 nan 8.360 nan 0.000 0.466 404 H N -1.790 117.306 119.070 0.044 0.000 2.755 404 H HA 0.189 4.746 4.556 0.001 0.000 0.273 404 H C 1.487 176.836 175.328 0.034 0.000 1.055 404 H CA 0.253 56.322 56.048 0.036 0.000 1.191 404 H CB 0.755 30.533 29.762 0.027 0.000 1.536 404 H HN -0.004 nan 8.280 nan 0.000 0.529 405 T N 0.873 115.502 114.554 0.125 0.000 2.536 405 T HA -0.244 4.106 4.350 0.001 0.000 0.263 405 T C 1.416 176.166 174.700 0.082 0.000 1.115 405 T CA 2.119 64.269 62.100 0.085 0.000 1.180 405 T CB -0.255 68.662 68.868 0.082 0.000 0.864 405 T HN 0.433 nan 8.240 nan 0.000 0.419 406 D N 0.579 121.050 120.400 0.119 0.000 2.127 406 D HA -0.130 4.510 4.640 0.001 0.000 0.190 406 D C 2.125 178.472 176.300 0.079 0.000 1.000 406 D CA 1.243 55.313 54.000 0.116 0.000 0.839 406 D CB -0.649 40.227 40.800 0.127 0.000 0.955 406 D HN 0.520 nan 8.370 nan 0.000 0.446 407 E N 0.094 120.344 120.200 0.084 0.000 2.136 407 E HA -0.206 4.144 4.350 0.001 0.000 0.202 407 E C 2.029 178.666 176.600 0.061 0.000 1.019 407 E CA 1.156 57.605 56.400 0.081 0.000 0.819 407 E CB 0.092 29.871 29.700 0.131 0.000 0.739 407 E HN 0.077 nan 8.360 nan 0.000 0.458 408 V N 0.599 120.549 119.914 0.060 0.000 2.649 408 V HA -0.161 3.960 4.120 0.001 0.000 0.248 408 V C 2.250 178.354 176.094 0.016 0.000 1.054 408 V CA 0.842 63.160 62.300 0.029 0.000 1.073 408 V CB -0.182 31.655 31.823 0.023 0.000 0.699 408 V HN 0.289 nan 8.190 nan 0.000 0.463 409 L N -0.373 120.863 121.223 0.023 0.000 2.083 409 L HA -0.187 4.154 4.340 0.001 0.000 0.209 409 L C 2.474 179.355 176.870 0.020 0.000 1.083 409 L CA 1.664 56.513 54.840 0.016 0.000 0.752 409 L CB -0.531 41.537 42.059 0.016 0.000 0.899 409 L HN 0.273 nan 8.230 nan 0.000 0.433 410 K N -0.141 120.276 120.400 0.028 0.000 2.217 410 K HA -0.117 4.204 4.320 0.001 0.000 0.202 410 K C 1.868 178.478 176.600 0.017 0.000 1.051 410 K CA 0.857 57.159 56.287 0.025 0.000 0.952 410 K CB 0.065 32.583 32.500 0.030 0.000 0.736 410 K HN 0.352 nan 8.250 nan 0.000 0.453 411 E N 0.575 120.784 120.200 0.015 0.000 2.274 411 E HA -0.076 4.274 4.350 0.001 0.000 0.194 411 E C 1.233 177.834 176.600 0.002 0.000 0.996 411 E CA 0.476 56.880 56.400 0.006 0.000 0.840 411 E CB 0.137 29.838 29.700 0.002 0.000 0.772 411 E HN 0.229 nan 8.360 nan 0.000 0.491 412 L N 0.125 121.350 121.223 0.003 0.000 2.645 412 L HA 0.093 4.433 4.340 0.001 0.000 0.235 412 L C 1.147 178.021 176.870 0.007 0.000 1.150 412 L CA 0.203 55.045 54.840 0.003 0.000 0.911 412 L CB -0.095 41.966 42.059 0.002 0.000 1.077 412 L HN 0.279 nan 8.230 nan 0.000 0.438 413 G N -0.195 108.610 108.800 0.008 0.000 2.162 413 G HA2 -0.279 3.682 3.960 0.001 0.000 0.260 413 G HA3 -0.279 3.682 3.960 0.001 0.000 0.260 413 G C 0.393 175.300 174.900 0.012 0.000 0.976 413 G CA -0.008 45.098 45.100 0.009 0.000 0.655 413 G HN 0.247 nan 8.290 nan 0.000 0.533 414 L N -0.001 121.230 121.223 0.014 0.000 2.475 414 L HA 0.498 4.839 4.340 0.001 0.000 0.253 414 L C 0.424 177.306 176.870 0.020 0.000 1.198 414 L CA -0.426 54.425 54.840 0.017 0.000 0.814 414 L CB 0.680 42.749 42.059 0.017 0.000 1.134 414 L HN 0.179 nan 8.230 nan 0.000 0.478 415 D N -0.732 119.681 120.400 0.021 0.000 2.198 415 D HA 0.114 4.755 4.640 0.001 0.000 0.247 415 D C 0.192 176.510 176.300 0.029 0.000 1.010 415 D CA -0.537 53.476 54.000 0.022 0.000 0.880 415 D CB 1.632 42.443 40.800 0.019 0.000 1.209 415 D HN 0.513 nan 8.370 nan 0.000 0.451 416 D N 1.671 122.088 120.400 0.029 0.000 2.350 416 D HA -0.047 4.593 4.640 0.001 0.000 0.216 416 D C 1.403 177.727 176.300 0.039 0.000 0.968 416 D CA 0.801 54.823 54.000 0.036 0.000 0.894 416 D CB 0.140 40.957 40.800 0.028 0.000 0.909 416 D HN 0.267 nan 8.370 nan 0.000 0.520 417 A N 0.897 123.736 122.820 0.032 0.000 1.861 417 A HA -0.067 4.254 4.320 0.001 0.000 0.212 417 A C 2.137 179.744 177.584 0.038 0.000 1.199 417 A CA 0.558 52.614 52.037 0.032 0.000 0.613 417 A CB -0.241 18.773 19.000 0.023 0.000 0.846 417 A HN -0.082 nan 8.150 nan 0.000 0.446 418 K N 0.057 120.477 120.400 0.033 0.000 2.059 418 K HA -0.172 4.148 4.320 0.001 0.000 0.212 418 K C 1.858 178.482 176.600 0.041 0.000 1.050 418 K CA 1.747 58.053 56.287 0.031 0.000 0.927 418 K CB -0.642 31.873 32.500 0.024 0.000 0.714 418 K HN 0.596 nan 8.250 nan 0.000 0.447 419 I N 1.055 121.659 120.570 0.056 0.000 2.127 419 I HA -0.320 3.851 4.170 0.001 0.000 0.241 419 I C 2.295 178.523 176.117 0.185 0.000 1.075 419 I CA 1.503 62.857 61.300 0.091 0.000 1.334 419 I CB -0.213 37.854 38.000 0.113 0.000 1.040 419 I HN 0.145 nan 8.210 nan 0.000 0.405 420 K N 0.153 120.651 120.400 0.162 0.000 2.283 420 K HA -0.157 4.164 4.320 0.001 0.000 0.202 420 K C 1.976 178.652 176.600 0.126 0.000 1.048 420 K CA 0.786 57.171 56.287 0.164 0.000 0.948 420 K CB -0.085 32.458 32.500 0.071 0.000 0.742 420 K HN 0.365 nan 8.250 nan 0.000 0.458 421 E N 0.932 121.182 120.200 0.083 0.000 2.072 421 E HA -0.123 4.228 4.350 0.001 0.000 0.191 421 E C 2.010 178.639 176.600 0.049 0.000 0.985 421 E CA 0.770 57.204 56.400 0.056 0.000 0.801 421 E CB 0.080 29.802 29.700 0.036 0.000 0.750 421 E HN 0.232 nan 8.360 nan 0.000 0.452 422 L N 0.240 121.480 121.223 0.028 0.000 2.056 422 L HA -0.175 4.166 4.340 0.001 0.000 0.207 422 L C 2.544 179.391 176.870 -0.038 0.000 1.078 422 L CA 0.953 55.776 54.840 -0.029 0.000 0.749 422 L CB -0.546 41.460 42.059 -0.089 0.000 0.901 422 L HN 0.196 nan 8.230 nan 0.000 0.433 423 H N -0.270 118.808 119.070 0.015 0.000 2.387 423 H HA -0.138 4.418 4.556 0.001 0.000 0.299 423 H C 2.210 177.545 175.328 0.012 0.000 1.099 423 H CA 1.637 57.692 56.048 0.013 0.000 1.315 423 H CB 0.072 29.840 29.762 0.010 0.000 1.380 423 H HN 0.409 nan 8.280 nan 0.000 0.513 424 A N 0.853 123.754 122.820 0.135 0.000 1.930 424 A HA -0.072 4.248 4.320 0.001 0.000 0.215 424 A C 2.202 179.815 177.584 0.049 0.000 1.176 424 A CA 0.730 52.813 52.037 0.077 0.000 0.632 424 A CB -0.163 18.874 19.000 0.061 0.000 0.819 424 A HN 0.181 nan 8.150 nan 0.000 0.445 425 K N -0.124 120.299 120.400 0.039 0.000 2.589 425 K HA -0.031 4.290 4.320 0.001 0.000 0.192 425 K C -0.266 176.346 176.600 0.019 0.000 1.029 425 K CA 0.339 56.641 56.287 0.024 0.000 1.031 425 K CB -0.127 32.384 32.500 0.018 0.000 0.821 425 K HN 0.501 nan 8.250 nan 0.000 0.502 426 Q N -1.066 118.749 119.800 0.025 0.000 2.481 426 Q HA -0.181 4.159 4.340 0.001 0.000 0.272 426 Q C 0.522 176.527 176.000 0.008 0.000 1.157 426 Q CA 0.871 56.687 55.803 0.023 0.000 0.935 426 Q CB -2.270 26.482 28.738 0.024 0.000 1.338 426 Q HN 0.315 nan 8.270 nan 0.000 0.494 427 V N -2.230 117.678 119.914 -0.010 0.000 3.565 427 V HA 0.263 4.384 4.120 0.001 0.000 0.260 427 V C 0.580 176.648 176.094 -0.042 0.000 1.231 427 V CA 0.852 63.142 62.300 -0.016 0.000 1.100 427 V CB 1.253 33.069 31.823 -0.011 0.000 0.807 427 V HN 0.202 nan 8.190 nan 0.000 0.454 428 V N 0.000 119.860 119.914 -0.090 0.000 2.409 428 V HA 0.000 4.120 4.120 0.001 0.000 0.244 428 V CA 0.000 62.209 62.300 -0.152 0.000 1.235 428 V CB 0.000 31.655 31.823 -0.280 0.000 1.184 428 V HN 0.000 nan 8.190 nan 0.000 0.556