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 3glh_1_D DATA FIRST_RESID 4 DATA SEQUENCE QVLARKWRPQ TFADVVGQEH VLTALANGLS LGRIHHAYLF SGTRGVGKTS DATA SEQUENCE IARLLAKGLN CETGITATPC GVCDNCREIE QGRFVDLIEI DAASRTKVED DATA SEQUENCE TRDLLDNVQY APARGRFKVY LIDEVHMLSR HSFNALLKTL EEPPEHVKFL DATA SEQUENCE LATTDPQKLP VTILSRCLQF HLKXLDVEQI RHQLEHILNE EHIAHEPRAL DATA SEQUENCE QLLARAAEGS LRDALSLTDQ AIASGDGQVS TQAVSAMLXT LDDDQALSLV DATA SEQUENCE EAMVEANGER VMALINEAAA RGIEWEALLV EMLGLLHRIA MVQLSPAALG DATA SEQUENCE NDMAAIELRM RELARTIPPT DIQLYYQTLL IGRKELPYAP DRRMGVEMTL DATA SEQUENCE LRALAFHPRM PLPEP 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 4 Q HA 0.000 nan 4.340 nan 0.000 0.214 4 Q C 0.000 176.031 176.000 0.052 0.000 1.003 4 Q CA 0.000 55.827 55.803 0.039 0.000 1.022 4 Q CB 0.000 28.763 28.738 0.042 0.000 1.108 5 V N 2.889 122.838 119.914 0.058 0.000 2.459 5 V HA 0.456 4.577 4.120 0.001 0.000 0.295 5 V C 0.142 176.293 176.094 0.094 0.000 1.029 5 V CA -0.812 61.523 62.300 0.059 0.000 0.874 5 V CB 1.631 33.479 31.823 0.042 0.000 0.985 5 V HN 0.603 nan 8.190 nan 0.000 0.438 6 L N 4.423 125.699 121.223 0.088 0.000 2.395 6 L HA 0.629 4.969 4.340 0.001 0.000 0.268 6 L C 0.791 177.708 176.870 0.078 0.000 1.223 6 L CA 0.463 55.378 54.840 0.125 0.000 1.093 6 L CB -0.561 41.492 42.059 -0.011 0.000 1.349 6 L HN 0.823 nan 8.230 nan 0.000 0.427 7 A N 1.372 124.259 122.820 0.112 0.000 1.429 7 A HA 0.091 4.412 4.320 0.001 0.000 0.212 7 A C 1.863 179.505 177.584 0.095 0.000 1.863 7 A CA 0.030 52.112 52.037 0.075 0.000 1.494 7 A CB -0.102 18.924 19.000 0.042 0.000 1.413 7 A HN 0.492 nan 8.150 nan 0.000 0.338 8 R N 1.265 121.816 120.500 0.085 0.000 2.052 8 R HA 0.128 4.468 4.340 0.001 0.000 0.226 8 R C 1.880 178.222 176.300 0.070 0.000 1.145 8 R CA 2.147 58.284 56.100 0.062 0.000 0.952 8 R CB -0.566 29.758 30.300 0.039 0.000 0.847 8 R HN 0.372 nan 8.270 nan 0.000 0.431 9 K N -1.083 119.374 120.400 0.095 0.000 2.362 9 K HA -0.154 4.167 4.320 0.001 0.000 0.202 9 K C 0.204 176.754 176.600 -0.084 0.000 1.045 9 K CA 1.347 57.652 56.287 0.030 0.000 0.936 9 K CB -0.063 32.484 32.500 0.078 0.000 0.747 9 K HN 0.284 nan 8.250 nan 0.000 0.467 10 W N 1.347 122.634 121.300 -0.020 0.000 2.966 10 W HA 0.245 4.906 4.660 0.002 0.000 0.406 10 W C -0.419 176.083 176.519 -0.028 0.000 1.027 10 W CA -0.654 56.679 57.345 -0.020 0.000 1.930 10 W CB 0.472 29.925 29.460 -0.012 0.000 1.144 10 W HN -0.244 nan 8.180 nan 0.000 0.626 11 R N 3.088 123.640 120.500 0.087 0.000 2.480 11 R HA 0.010 4.351 4.340 0.001 0.000 0.303 11 R C -2.014 174.281 176.300 -0.008 0.000 0.985 11 R CA -0.937 55.184 56.100 0.035 0.000 1.051 11 R CB -0.211 30.085 30.300 -0.007 0.000 0.935 11 R HN -0.162 nan 8.270 nan 0.000 0.410 12 P HA -0.076 nan 4.420 nan 0.000 0.265 12 P C -0.381 176.857 177.300 -0.103 0.000 1.193 12 P CA 0.094 63.174 63.100 -0.034 0.000 0.765 12 P CB 0.901 32.593 31.700 -0.013 0.000 0.823 13 Q N 0.599 120.317 119.800 -0.137 0.000 2.352 13 Q HA 0.152 4.493 4.340 0.001 0.000 0.212 13 Q C 0.320 176.171 176.000 -0.248 0.000 0.888 13 Q CA 0.848 56.544 55.803 -0.179 0.000 0.934 13 Q CB 0.500 29.140 28.738 -0.163 0.000 1.093 13 Q HN 0.511 nan 8.270 nan 0.000 0.523 14 T N -0.956 113.450 114.554 -0.248 0.000 2.864 14 T HA 0.371 4.722 4.350 0.001 0.000 0.299 14 T C 0.248 174.773 174.700 -0.291 0.000 1.166 14 T CA -0.632 61.261 62.100 -0.345 0.000 1.007 14 T CB 0.624 69.376 68.868 -0.194 0.000 1.219 14 T HN -0.209 nan 8.240 nan 0.000 0.506 15 F N 0.821 120.729 119.950 -0.070 0.000 2.365 15 F HA 0.097 4.624 4.527 0.001 0.000 0.300 15 F C 2.640 178.400 175.800 -0.066 0.000 1.090 15 F CA 0.684 58.637 58.000 -0.078 0.000 1.408 15 F CB -1.075 37.873 39.000 -0.086 0.000 1.060 15 F HN 0.746 nan 8.300 nan 0.000 0.534 16 A N 0.651 123.514 122.820 0.072 0.000 1.940 16 A HA -0.235 4.086 4.320 0.001 0.000 0.219 16 A C 1.188 178.779 177.584 0.013 0.000 1.176 16 A CA 2.091 54.147 52.037 0.031 0.000 0.631 16 A CB -1.045 17.955 19.000 0.001 0.000 0.814 16 A HN 0.476 nan 8.150 nan 0.000 0.446 17 D N -1.373 119.028 120.400 0.001 0.000 2.463 17 D HA 0.374 5.015 4.640 0.001 0.000 0.224 17 D C -0.112 176.207 176.300 0.030 0.000 1.174 17 D CA -0.330 53.680 54.000 0.017 0.000 0.829 17 D CB 0.328 41.141 40.800 0.022 0.000 0.993 17 D HN 0.135 nan 8.370 nan 0.000 0.497 18 V N 0.559 120.490 119.914 0.028 0.000 2.904 18 V HA 0.339 4.460 4.120 0.001 0.000 0.305 18 V C 0.323 176.423 176.094 0.010 0.000 1.067 18 V CA -0.815 61.501 62.300 0.026 0.000 1.044 18 V CB 2.025 33.876 31.823 0.045 0.000 1.050 18 V HN 0.033 nan 8.190 nan 0.000 0.475 19 V N 1.959 121.875 119.914 0.002 0.000 2.448 19 V HA 0.696 4.817 4.120 0.001 0.000 0.295 19 V C 0.994 177.074 176.094 -0.023 0.000 1.025 19 V CA 0.371 62.664 62.300 -0.012 0.000 0.859 19 V CB 0.616 32.435 31.823 -0.006 0.000 0.988 19 V HN 1.181 nan 8.190 nan 0.000 0.431 20 G N 3.548 112.326 108.800 -0.037 0.000 2.189 20 G HA2 -0.251 3.710 3.960 0.001 0.000 0.267 20 G HA3 -0.251 3.710 3.960 0.001 0.000 0.267 20 G C 0.591 175.462 174.900 -0.049 0.000 0.975 20 G CA 0.443 45.518 45.100 -0.041 0.000 0.644 20 G HN 0.616 nan 8.290 nan 0.000 0.537 21 Q N 0.213 119.976 119.800 -0.062 0.000 2.222 21 Q HA 0.234 4.575 4.340 0.001 0.000 0.206 21 Q C 1.759 177.667 176.000 -0.153 0.000 0.877 21 Q CA 0.616 56.376 55.803 -0.073 0.000 0.958 21 Q CB -0.001 28.699 28.738 -0.063 0.000 1.075 21 Q HN 0.797 nan 8.270 nan 0.000 0.483 22 E N 0.432 120.512 120.200 -0.201 0.000 2.598 22 E HA -0.318 4.032 4.350 0.001 0.000 0.250 22 E C 1.438 177.738 176.600 -0.500 0.000 1.037 22 E CA 2.308 58.497 56.400 -0.352 0.000 1.274 22 E CB -0.365 29.081 29.700 -0.423 0.000 1.177 22 E HN 0.573 nan 8.360 nan 0.000 0.490 23 H N -0.512 118.516 119.070 -0.069 0.000 2.326 23 H HA -0.033 4.523 4.556 0.001 0.000 0.301 23 H C 2.446 177.673 175.328 -0.169 0.000 1.081 23 H CA 1.420 57.419 56.048 -0.081 0.000 1.334 23 H CB -0.513 29.232 29.762 -0.028 0.000 1.385 23 H HN 0.069 nan 8.280 nan 0.000 0.504 24 V N 1.551 121.366 119.914 -0.165 0.000 2.794 24 V HA -0.209 3.912 4.120 0.001 0.000 0.260 24 V C 2.459 178.235 176.094 -0.530 0.000 1.103 24 V CA 1.293 63.339 62.300 -0.424 0.000 1.125 24 V CB -0.640 31.028 31.823 -0.258 0.000 0.702 24 V HN 0.257 nan 8.190 nan 0.000 0.494 25 L N -1.271 119.722 121.223 -0.383 0.000 2.408 25 L HA 0.039 4.379 4.340 0.001 0.000 0.215 25 L C 2.414 179.058 176.870 -0.377 0.000 1.081 25 L CA 0.723 55.291 54.840 -0.453 0.000 0.840 25 L CB -0.638 41.226 42.059 -0.324 0.000 1.002 25 L HN 0.205 nan 8.230 nan 0.000 0.468 26 T N 0.426 114.829 114.554 -0.251 0.000 2.915 26 T HA -0.082 4.269 4.350 0.001 0.000 0.269 26 T C 1.916 176.543 174.700 -0.122 0.000 1.071 26 T CA 1.300 63.312 62.100 -0.147 0.000 1.132 26 T CB -0.002 68.826 68.868 -0.068 0.000 0.878 26 T HN 0.401 nan 8.240 nan 0.000 0.479 27 A N 0.510 123.230 122.820 -0.168 0.000 2.030 27 A HA 0.318 4.639 4.320 0.001 0.000 0.215 27 A C 2.100 179.615 177.584 -0.114 0.000 1.164 27 A CA 0.481 52.472 52.037 -0.078 0.000 0.697 27 A CB -0.312 18.686 19.000 -0.004 0.000 0.827 27 A HN 0.451 nan 8.150 nan 0.000 0.457 28 L N -1.286 119.744 121.223 -0.322 0.000 2.249 28 L HA 0.069 4.410 4.340 0.001 0.000 0.207 28 L C 2.872 179.538 176.870 -0.340 0.000 1.090 28 L CA 0.750 55.366 54.840 -0.373 0.000 0.802 28 L CB -0.284 41.397 42.059 -0.629 0.000 0.947 28 L HN 0.374 nan 8.230 nan 0.000 0.453 29 A N 0.452 123.058 122.820 -0.357 0.000 1.929 29 A HA -0.149 4.172 4.320 0.001 0.000 0.216 29 A C 1.957 179.503 177.584 -0.063 0.000 1.176 29 A CA 1.541 53.464 52.037 -0.189 0.000 0.628 29 A CB -0.385 18.527 19.000 -0.146 0.000 0.816 29 A HN 0.368 nan 8.150 nan 0.000 0.444 30 N N 0.351 119.017 118.700 -0.056 0.000 2.216 30 N HA -0.043 4.697 4.740 0.001 0.000 0.183 30 N C 1.809 177.336 175.510 0.028 0.000 1.017 30 N CA 1.322 54.372 53.050 -0.000 0.000 0.861 30 N CB -0.759 37.735 38.487 0.012 0.000 0.986 30 N HN 0.431 nan 8.380 nan 0.000 0.428 31 G N 1.209 110.029 108.800 0.033 0.000 2.421 31 G HA2 -0.162 3.799 3.960 0.001 0.000 0.216 31 G HA3 -0.162 3.799 3.960 0.001 0.000 0.216 31 G C 1.564 176.505 174.900 0.067 0.000 1.171 31 G CA 0.462 45.614 45.100 0.088 0.000 0.775 31 G HN 0.222 nan 8.290 nan 0.000 0.543 32 L N 0.599 121.845 121.223 0.038 0.000 2.056 32 L HA -0.055 4.286 4.340 0.001 0.000 0.207 32 L C 3.230 180.140 176.870 0.066 0.000 1.078 32 L CA 1.085 55.961 54.840 0.059 0.000 0.749 32 L CB -0.481 41.625 42.059 0.079 0.000 0.901 32 L HN 0.178 nan 8.230 nan 0.000 0.433 33 S N 0.392 116.124 115.700 0.052 0.000 2.351 33 S HA -0.166 4.305 4.470 0.001 0.000 0.220 33 S C 1.945 176.575 174.600 0.049 0.000 1.035 33 S CA 1.413 59.643 58.200 0.049 0.000 1.031 33 S CB -0.395 62.828 63.200 0.037 0.000 0.928 33 S HN 0.292 nan 8.310 nan 0.000 0.433 34 L N 0.116 121.367 121.223 0.047 0.000 2.217 34 L HA 0.095 4.435 4.340 0.001 0.000 0.211 34 L C 1.933 178.832 176.870 0.049 0.000 1.107 34 L CA 0.879 55.746 54.840 0.045 0.000 0.783 34 L CB -0.550 41.534 42.059 0.043 0.000 0.919 34 L HN 0.621 nan 8.230 nan 0.000 0.442 35 G N 0.022 108.857 108.800 0.059 0.000 2.192 35 G HA2 -0.212 3.748 3.960 0.001 0.000 0.193 35 G HA3 -0.212 3.748 3.960 0.001 0.000 0.193 35 G C 0.187 175.117 174.900 0.049 0.000 0.999 35 G CA -0.567 44.573 45.100 0.067 0.000 0.659 35 G HN 0.311 nan 8.290 nan 0.000 0.503 36 R N 0.392 120.915 120.500 0.037 0.000 2.429 36 R HA 0.525 4.866 4.340 0.001 0.000 0.302 36 R C -0.512 175.793 176.300 0.009 0.000 1.268 36 R CA 0.018 56.109 56.100 -0.016 0.000 1.090 36 R CB 0.140 30.457 30.300 0.028 0.000 1.102 36 R HN 0.263 nan 8.270 nan 0.000 0.522 37 I N 2.662 123.206 120.570 -0.043 0.000 2.382 37 I HA 0.184 4.355 4.170 0.001 0.000 0.286 37 I C 0.550 176.602 176.117 -0.107 0.000 1.002 37 I CA -0.571 60.771 61.300 0.070 0.000 1.135 37 I CB 1.022 39.032 38.000 0.017 0.000 1.288 37 I HN 0.404 nan 8.210 nan 0.000 0.448 38 H N 4.700 123.704 119.070 -0.111 0.000 2.546 38 H HA 0.226 4.782 4.556 0.001 0.000 0.365 38 H C 0.616 175.779 175.328 -0.275 0.000 1.220 38 H CA -0.379 55.433 56.048 -0.394 0.000 1.386 38 H CB 0.953 30.339 29.762 -0.627 0.000 1.510 38 H HN 0.563 nan 8.280 nan 0.000 0.591 39 H N 0.380 119.427 119.070 -0.039 0.000 2.387 39 H HA 0.027 4.584 4.556 0.001 0.000 0.299 39 H C 0.537 175.916 175.328 0.086 0.000 1.099 39 H CA 1.146 57.210 56.048 0.027 0.000 1.315 39 H CB 0.086 29.873 29.762 0.041 0.000 1.380 39 H HN 0.586 nan 8.280 nan 0.000 0.513 40 A N -0.493 122.329 122.820 0.003 0.000 2.517 40 A HA 0.522 4.842 4.320 0.001 0.000 0.297 40 A C -1.747 175.667 177.584 -0.284 0.000 1.050 40 A CA -0.648 51.397 52.037 0.013 0.000 0.694 40 A CB 1.013 20.054 19.000 0.068 0.000 1.277 40 A HN 0.111 nan 8.150 nan 0.000 0.400 41 Y N 1.875 122.143 120.300 -0.053 0.000 2.335 41 Y HA 0.530 5.081 4.550 0.001 0.000 0.338 41 Y C 0.038 175.713 175.900 -0.375 0.000 0.977 41 Y CA -0.687 57.243 58.100 -0.283 0.000 1.114 41 Y CB 2.036 40.309 38.460 -0.310 0.000 1.182 41 Y HN 0.584 nan 8.280 nan 0.000 0.463 42 L N 5.901 126.939 121.223 -0.307 0.000 2.277 42 L HA 0.461 4.802 4.340 0.001 0.000 0.284 42 L C -1.660 175.063 176.870 -0.245 0.000 1.028 42 L CA -0.504 54.208 54.840 -0.213 0.000 0.835 42 L CB -0.052 41.916 42.059 -0.152 0.000 1.215 42 L HN 0.542 nan 8.230 nan 0.000 0.425 43 F N 2.952 122.959 119.950 0.094 0.000 2.411 43 F HA 0.372 4.899 4.527 0.001 0.000 0.350 43 F C 1.046 176.826 175.800 -0.033 0.000 1.114 43 F CA -0.199 57.845 58.000 0.073 0.000 1.135 43 F CB 1.663 40.716 39.000 0.088 0.000 1.120 43 F HN 0.515 nan 8.300 nan 0.000 0.495 44 S N 1.500 117.222 115.700 0.038 0.000 2.768 44 S HA 0.997 5.468 4.470 0.001 0.000 0.300 44 S C -0.032 174.381 174.600 -0.312 0.000 1.122 44 S CA -0.383 57.682 58.200 -0.225 0.000 0.995 44 S CB 1.636 64.554 63.200 -0.471 0.000 1.195 44 S HN 1.439 nan 8.310 nan 0.000 0.547 45 G N -0.268 108.301 108.800 -0.385 0.000 2.459 45 G HA2 0.240 4.200 3.960 0.001 0.000 0.685 45 G HA3 0.240 4.200 3.960 0.001 0.000 0.685 45 G C -0.508 174.390 174.900 -0.004 0.000 1.303 45 G CA -0.547 44.488 45.100 -0.108 0.000 0.907 45 G HN 0.988 nan 8.290 nan 0.000 0.632 46 T N 0.237 114.827 114.554 0.059 0.000 2.748 46 T HA 0.490 4.841 4.350 0.001 0.000 0.304 46 T C 1.110 175.830 174.700 0.035 0.000 1.041 46 T CA 0.377 62.505 62.100 0.046 0.000 1.033 46 T CB 0.576 69.478 68.868 0.056 0.000 0.995 46 T HN 1.102 nan 8.240 nan 0.000 0.536 47 R N -0.007 120.514 120.500 0.035 0.000 2.590 47 R HA 0.464 4.805 4.340 0.001 0.000 0.274 47 R C 1.112 177.430 176.300 0.029 0.000 1.061 47 R CA 0.662 56.782 56.100 0.034 0.000 1.081 47 R CB -0.311 30.012 30.300 0.038 0.000 0.984 47 R HN 0.882 nan 8.270 nan 0.000 0.448 48 G N 1.306 110.120 108.800 0.024 0.000 2.561 48 G HA2 -0.242 3.719 3.960 0.001 0.000 0.203 48 G HA3 -0.242 3.719 3.960 0.001 0.000 0.203 48 G C -0.163 174.745 174.900 0.014 0.000 1.101 48 G CA -0.217 44.894 45.100 0.019 0.000 0.711 48 G HN 0.648 nan 8.290 nan 0.000 0.511 49 V N 2.354 122.278 119.914 0.018 0.000 3.139 49 V HA 0.423 4.544 4.120 0.001 0.000 0.307 49 V C 2.153 178.243 176.094 -0.006 0.000 1.095 49 V CA 0.841 63.148 62.300 0.013 0.000 1.160 49 V CB 1.044 32.885 31.823 0.030 0.000 1.003 49 V HN 1.108 nan 8.190 nan 0.000 0.489 50 G N 1.291 110.078 108.800 -0.021 0.000 2.736 50 G HA2 -0.167 3.793 3.960 0.001 0.000 0.206 50 G HA3 -0.167 3.793 3.960 0.001 0.000 0.206 50 G C 1.303 176.140 174.900 -0.105 0.000 1.158 50 G CA 0.443 45.512 45.100 -0.052 0.000 0.801 50 G HN 0.846 nan 8.290 nan 0.000 0.528 51 K N 0.117 120.464 120.400 -0.088 0.000 2.023 51 K HA -0.288 4.032 4.320 0.001 0.000 0.227 51 K C 2.908 179.392 176.600 -0.194 0.000 1.054 51 K CA 2.512 58.722 56.287 -0.129 0.000 0.977 51 K CB -0.642 31.851 32.500 -0.012 0.000 0.733 51 K HN 0.522 nan 8.250 nan 0.000 0.451 52 T N -1.754 112.752 114.554 -0.080 0.000 2.904 52 T HA -0.101 4.250 4.350 0.001 0.000 0.267 52 T C 2.091 176.741 174.700 -0.083 0.000 1.059 52 T CA 1.571 63.639 62.100 -0.054 0.000 1.137 52 T CB -0.173 68.699 68.868 0.006 0.000 0.879 52 T HN 0.196 nan 8.240 nan 0.000 0.467 53 S N 1.350 116.999 115.700 -0.085 0.000 2.356 53 S HA -0.018 4.452 4.470 0.001 0.000 0.223 53 S C 1.993 176.529 174.600 -0.107 0.000 1.032 53 S CA 1.127 59.281 58.200 -0.077 0.000 1.005 53 S CB -0.653 62.514 63.200 -0.054 0.000 0.867 53 S HN 0.615 nan 8.310 nan 0.000 0.449 54 I N 1.521 121.992 120.570 -0.165 0.000 2.676 54 I HA -0.051 4.120 4.170 0.001 0.000 0.259 54 I C 2.659 178.633 176.117 -0.238 0.000 1.194 54 I CA 0.707 61.903 61.300 -0.174 0.000 1.473 54 I CB -0.477 37.346 38.000 -0.295 0.000 1.096 54 I HN 0.376 nan 8.210 nan 0.000 0.443 55 A N 1.328 123.960 122.820 -0.314 0.000 1.855 55 A HA -0.176 4.145 4.320 0.001 0.000 0.215 55 A C 2.425 179.995 177.584 -0.023 0.000 1.191 55 A CA 1.260 53.196 52.037 -0.170 0.000 0.613 55 A CB -0.504 18.457 19.000 -0.066 0.000 0.829 55 A HN 0.253 nan 8.150 nan 0.000 0.442 56 R N -0.349 120.126 120.500 -0.042 0.000 2.115 56 R HA -0.150 4.191 4.340 0.001 0.000 0.239 56 R C 2.031 178.289 176.300 -0.071 0.000 1.133 56 R CA 1.770 57.844 56.100 -0.044 0.000 0.935 56 R CB -0.840 29.421 30.300 -0.065 0.000 0.853 56 R HN 0.521 nan 8.270 nan 0.000 0.433 57 L N 0.914 122.071 121.223 -0.111 0.000 2.270 57 L HA -0.218 4.123 4.340 0.001 0.000 0.217 57 L C 2.409 179.210 176.870 -0.115 0.000 1.107 57 L CA 0.632 55.320 54.840 -0.254 0.000 0.772 57 L CB -0.496 41.314 42.059 -0.416 0.000 0.902 57 L HN 0.234 nan 8.230 nan 0.000 0.439 58 L N 0.140 121.435 121.223 0.119 0.000 2.068 58 L HA -0.012 4.329 4.340 0.001 0.000 0.204 58 L C 2.654 179.569 176.870 0.076 0.000 1.076 58 L CA 1.879 56.843 54.840 0.207 0.000 0.753 58 L CB -0.584 41.556 42.059 0.135 0.000 0.910 58 L HN 0.090 nan 8.230 nan 0.000 0.439 59 A N -0.811 122.029 122.820 0.033 0.000 1.969 59 A HA -0.224 4.097 4.320 0.001 0.000 0.218 59 A C 2.409 179.977 177.584 -0.026 0.000 1.169 59 A CA 1.743 53.792 52.037 0.019 0.000 0.635 59 A CB -0.557 18.461 19.000 0.031 0.000 0.810 59 A HN 0.468 nan 8.150 nan 0.000 0.445 60 K N -0.661 119.688 120.400 -0.085 0.000 2.097 60 K HA -0.082 4.239 4.320 0.001 0.000 0.205 60 K C 1.766 178.310 176.600 -0.093 0.000 1.050 60 K CA 1.182 57.382 56.287 -0.145 0.000 0.938 60 K CB -0.353 32.023 32.500 -0.206 0.000 0.718 60 K HN 0.412 nan 8.250 nan 0.000 0.442 61 G N 0.085 108.857 108.800 -0.047 0.000 2.813 61 G HA2 -0.009 3.951 3.960 0.001 0.000 0.209 61 G HA3 -0.009 3.951 3.960 0.001 0.000 0.209 61 G C 1.170 176.116 174.900 0.077 0.000 1.150 61 G CA 0.020 45.133 45.100 0.021 0.000 0.785 61 G HN 0.133 nan 8.290 nan 0.000 0.535 62 L N -0.326 120.948 121.223 0.084 0.000 2.265 62 L HA 0.162 4.503 4.340 0.001 0.000 0.195 62 L C 2.359 179.421 176.870 0.319 0.000 1.083 62 L CA 0.209 55.158 54.840 0.183 0.000 0.798 62 L CB -0.252 41.824 42.059 0.028 0.000 0.989 62 L HN -0.020 nan 8.230 nan 0.000 0.472 63 N N -0.066 118.772 118.700 0.229 0.000 2.244 63 N HA -0.111 4.630 4.740 0.001 0.000 0.183 63 N C 0.794 176.363 175.510 0.099 0.000 1.016 63 N CA 0.350 53.520 53.050 0.201 0.000 0.866 63 N CB -0.524 38.074 38.487 0.184 0.000 0.980 63 N HN 0.244 nan 8.380 nan 0.000 0.430 64 C N 2.377 121.699 119.300 0.036 0.000 2.348 64 C HA -0.104 4.357 4.460 0.001 0.000 0.391 64 C C 1.845 176.851 174.990 0.027 0.000 1.463 64 C CA -0.024 58.998 59.018 0.006 0.000 1.550 64 C CB -0.292 27.440 27.740 -0.012 0.000 2.539 64 C HN 0.466 nan 8.230 nan 0.000 0.588 65 E N 1.442 121.649 120.200 0.012 0.000 2.347 65 E HA -0.099 4.252 4.350 0.001 0.000 0.196 65 E C 1.586 178.193 176.600 0.011 0.000 1.008 65 E CA 1.296 57.705 56.400 0.014 0.000 0.852 65 E CB 0.029 29.735 29.700 0.009 0.000 0.783 65 E HN 0.835 nan 8.360 nan 0.000 0.505 66 T N 0.408 114.967 114.554 0.008 0.000 3.169 66 T HA 0.265 4.616 4.350 0.001 0.000 0.250 66 T C 0.479 175.192 174.700 0.021 0.000 1.111 66 T CA 0.374 62.479 62.100 0.009 0.000 1.010 66 T CB 0.431 69.299 68.868 0.001 0.000 0.984 66 T HN 0.395 nan 8.240 nan 0.000 0.537 67 G N 1.522 110.342 108.800 0.032 0.000 2.498 67 G HA2 -0.101 3.860 3.960 0.001 0.000 0.651 67 G HA3 -0.101 3.860 3.960 0.001 0.000 0.651 67 G C -0.846 174.099 174.900 0.076 0.000 1.284 67 G CA -1.148 43.982 45.100 0.050 0.000 0.950 67 G HN 0.339 nan 8.290 nan 0.000 0.511 68 I N 2.253 122.885 120.570 0.103 0.000 2.260 68 I HA 0.373 4.544 4.170 0.001 0.000 0.297 68 I C 0.423 176.599 176.117 0.099 0.000 1.143 68 I CA 0.017 61.399 61.300 0.136 0.000 1.271 68 I CB 0.240 38.356 38.000 0.194 0.000 1.461 68 I HN 0.484 nan 8.210 nan 0.000 0.530 69 T N 3.153 117.757 114.554 0.083 0.000 2.916 69 T HA 0.407 4.758 4.350 0.001 0.000 0.292 69 T C 0.964 175.724 174.700 0.099 0.000 1.055 69 T CA -0.539 61.605 62.100 0.074 0.000 1.009 69 T CB 2.143 71.040 68.868 0.049 0.000 1.118 69 T HN 0.490 nan 8.240 nan 0.000 0.497 70 A N 0.889 123.782 122.820 0.122 0.000 2.119 70 A HA 0.154 4.475 4.320 0.001 0.000 0.217 70 A C 1.107 178.787 177.584 0.159 0.000 1.153 70 A CA 0.540 52.715 52.037 0.231 0.000 0.692 70 A CB -0.478 18.634 19.000 0.188 0.000 0.799 70 A HN 0.740 nan 8.150 nan 0.000 0.458 71 T N 1.945 116.535 114.554 0.061 0.000 3.145 71 T HA 0.489 4.840 4.350 0.001 0.000 0.362 71 T C -2.933 171.745 174.700 -0.036 0.000 1.340 71 T CA -1.426 60.672 62.100 -0.003 0.000 1.069 71 T CB 0.909 69.780 68.868 0.005 0.000 1.129 71 T HN 0.079 nan 8.240 nan 0.000 0.585 72 P HA 0.290 nan 4.420 nan 0.000 0.280 72 P C 0.497 177.742 177.300 -0.092 0.000 1.244 72 P CA -0.842 62.202 63.100 -0.094 0.000 0.784 72 P CB 0.283 31.890 31.700 -0.155 0.000 0.913 73 C N 1.666 120.925 119.300 -0.069 0.000 2.653 73 C HA 0.468 4.929 4.460 0.001 0.000 0.421 73 C C 1.758 176.697 174.990 -0.086 0.000 1.334 73 C CA 0.342 59.321 59.018 -0.065 0.000 1.885 73 C CB -0.495 27.216 27.740 -0.048 0.000 2.645 73 C HN 0.782 nan 8.230 nan 0.000 0.601 74 G N 1.945 110.693 108.800 -0.087 0.000 2.985 74 G HA2 0.216 4.176 3.960 0.001 0.000 0.209 74 G HA3 0.216 4.176 3.960 0.001 0.000 0.209 74 G C 0.901 175.750 174.900 -0.085 0.000 1.165 74 G CA 0.811 45.851 45.100 -0.099 0.000 0.776 74 G HN 1.400 nan 8.290 nan 0.000 0.541 75 V N -1.587 118.286 119.914 -0.069 0.000 3.379 75 V HA 0.165 4.286 4.120 0.001 0.000 0.249 75 V C 1.838 177.903 176.094 -0.048 0.000 1.184 75 V CA -0.408 61.859 62.300 -0.056 0.000 1.106 75 V CB -1.180 30.616 31.823 -0.045 0.000 0.826 75 V HN 0.381 nan 8.190 nan 0.000 0.465 76 C N 1.828 121.099 119.300 -0.048 0.000 2.746 76 C HA 0.074 4.535 4.460 0.001 0.000 0.403 76 C C 1.807 176.775 174.990 -0.036 0.000 1.270 76 C CA 0.714 59.710 59.018 -0.037 0.000 1.978 76 C CB -0.033 27.685 27.740 -0.035 0.000 2.724 76 C HN 0.608 nan 8.230 nan 0.000 0.678 77 D N 1.276 121.669 120.400 -0.012 0.000 2.263 77 D HA -0.090 4.550 4.640 0.001 0.000 0.208 77 D C 1.762 178.068 176.300 0.011 0.000 0.971 77 D CA 1.268 55.273 54.000 0.009 0.000 0.867 77 D CB -0.158 40.663 40.800 0.035 0.000 0.929 77 D HN 0.641 nan 8.370 nan 0.000 0.492 78 N N 0.017 118.698 118.700 -0.031 0.000 2.132 78 N HA -0.081 4.659 4.740 0.001 0.000 0.187 78 N C 2.060 177.360 175.510 -0.349 0.000 1.038 78 N CA 0.555 53.503 53.050 -0.170 0.000 0.846 78 N CB -0.694 37.709 38.487 -0.140 0.000 1.012 78 N HN 0.186 nan 8.380 nan 0.000 0.429 79 C N 1.519 120.680 119.300 -0.232 0.000 2.376 79 C HA -0.108 4.353 4.460 0.001 0.000 0.275 79 C C 2.709 177.588 174.990 -0.186 0.000 1.200 79 C CA 0.575 59.461 59.018 -0.220 0.000 1.756 79 C CB -1.150 26.498 27.740 -0.154 0.000 2.050 79 C HN 0.488 nan 8.230 nan 0.000 0.460 80 R N 0.772 121.197 120.500 -0.124 0.000 2.113 80 R HA -0.192 4.149 4.340 0.001 0.000 0.244 80 R C 2.050 178.306 176.300 -0.073 0.000 1.142 80 R CA 1.934 57.983 56.100 -0.084 0.000 0.953 80 R CB -0.416 29.854 30.300 -0.049 0.000 0.860 80 R HN 0.692 nan 8.270 nan 0.000 0.438 81 E N 0.139 120.298 120.200 -0.069 0.000 2.208 81 E HA -0.103 4.248 4.350 0.001 0.000 0.193 81 E C 1.975 178.541 176.600 -0.058 0.000 0.988 81 E CA 0.721 57.125 56.400 0.007 0.000 0.828 81 E CB 0.021 29.837 29.700 0.193 0.000 0.763 81 E HN 0.358 nan 8.360 nan 0.000 0.478 82 I N 0.874 121.282 120.570 -0.269 0.000 2.133 82 I HA -0.228 3.943 4.170 0.001 0.000 0.238 82 I C 2.550 178.594 176.117 -0.121 0.000 1.074 82 I CA 1.042 62.181 61.300 -0.267 0.000 1.342 82 I CB -0.061 37.702 38.000 -0.395 0.000 1.053 82 I HN 0.030 nan 8.210 nan 0.000 0.404 83 E N 1.107 121.232 120.200 -0.126 0.000 2.110 83 E HA -0.258 4.092 4.350 0.001 0.000 0.193 83 E C 2.124 178.694 176.600 -0.050 0.000 0.988 83 E CA 1.550 57.897 56.400 -0.089 0.000 0.804 83 E CB -0.144 29.496 29.700 -0.101 0.000 0.745 83 E HN 0.400 nan 8.360 nan 0.000 0.458 84 Q N -1.169 118.608 119.800 -0.038 0.000 2.226 84 Q HA -0.031 4.310 4.340 0.001 0.000 0.204 84 Q C 0.874 176.877 176.000 0.005 0.000 0.975 84 Q CA 0.925 56.721 55.803 -0.013 0.000 0.866 84 Q CB 0.006 28.743 28.738 -0.002 0.000 0.915 84 Q HN 0.467 nan 8.270 nan 0.000 0.440 85 G N 1.046 109.853 108.800 0.012 0.000 2.165 85 G HA2 -0.265 3.695 3.960 0.001 0.000 0.226 85 G HA3 -0.265 3.695 3.960 0.001 0.000 0.226 85 G C -0.094 174.841 174.900 0.059 0.000 1.035 85 G CA -0.044 45.076 45.100 0.033 0.000 0.744 85 G HN 0.215 nan 8.290 nan 0.000 0.501 86 R N -0.584 119.967 120.500 0.085 0.000 2.687 86 R HA 0.458 4.798 4.340 0.001 0.000 0.264 86 R C -1.248 175.170 176.300 0.196 0.000 1.715 86 R CA -0.561 55.601 56.100 0.103 0.000 1.633 86 R CB 0.238 30.579 30.300 0.069 0.000 1.353 86 R HN 0.132 nan 8.270 nan 0.000 0.653 87 F N 0.757 120.700 119.950 -0.012 0.000 2.508 87 F HA 0.280 4.808 4.527 0.001 0.000 0.325 87 F C 0.995 176.782 175.800 -0.023 0.000 1.090 87 F CA -0.958 57.032 58.000 -0.017 0.000 0.945 87 F CB 1.729 40.718 39.000 -0.017 0.000 1.156 87 F HN -0.075 nan 8.300 nan 0.000 0.463 88 V N 2.612 122.180 119.914 -0.576 0.000 2.307 88 V HA -0.196 3.925 4.120 0.001 0.000 0.245 88 V C 1.397 177.238 176.094 -0.422 0.000 1.045 88 V CA 2.103 64.138 62.300 -0.442 0.000 1.024 88 V CB -0.366 31.194 31.823 -0.438 0.000 0.651 88 V HN 0.681 nan 8.190 nan 0.000 0.449 89 D N -0.351 119.650 120.400 -0.665 0.000 2.323 89 D HA 0.068 4.708 4.640 0.001 0.000 0.209 89 D C 0.773 177.022 176.300 -0.086 0.000 0.973 89 D CA 0.356 54.178 54.000 -0.296 0.000 0.874 89 D CB 0.223 40.913 40.800 -0.183 0.000 0.930 89 D HN 0.301 nan 8.370 nan 0.000 0.521 90 L N 1.937 123.233 121.223 0.121 0.000 2.352 90 L HA 0.308 4.649 4.340 0.001 0.000 0.272 90 L C -0.534 176.353 176.870 0.028 0.000 1.109 90 L CA -0.292 54.633 54.840 0.141 0.000 0.952 90 L CB -0.183 42.051 42.059 0.291 0.000 1.314 90 L HN -0.177 nan 8.230 nan 0.000 0.427 91 I N 3.550 124.050 120.570 -0.116 0.000 2.416 91 I HA 0.202 4.373 4.170 0.001 0.000 0.288 91 I C 0.142 176.299 176.117 0.066 0.000 1.051 91 I CA -0.171 61.094 61.300 -0.058 0.000 1.375 91 I CB 0.725 38.629 38.000 -0.159 0.000 1.407 91 I HN 0.519 nan 8.210 nan 0.000 0.516 92 E N 6.913 127.170 120.200 0.095 0.000 2.145 92 E HA 0.542 4.893 4.350 0.001 0.000 0.270 92 E C -1.229 175.448 176.600 0.127 0.000 0.906 92 E CA -0.643 55.828 56.400 0.119 0.000 0.761 92 E CB 2.062 31.817 29.700 0.092 0.000 1.116 92 E HN 0.360 nan 8.360 nan 0.000 0.408 93 I N 2.068 122.728 120.570 0.149 0.000 2.410 93 I HA 0.154 4.325 4.170 0.001 0.000 0.286 93 I C -0.626 175.559 176.117 0.113 0.000 1.009 93 I CA -0.637 60.742 61.300 0.131 0.000 1.111 93 I CB 1.627 39.716 38.000 0.148 0.000 1.262 93 I HN 0.371 nan 8.210 nan 0.000 0.443 94 D N 4.839 125.294 120.400 0.092 0.000 2.359 94 D HA 0.501 5.142 4.640 0.001 0.000 0.230 94 D C 0.901 177.245 176.300 0.073 0.000 1.118 94 D CA -0.291 53.759 54.000 0.083 0.000 0.844 94 D CB 1.572 42.414 40.800 0.070 0.000 1.059 94 D HN 0.649 nan 8.370 nan 0.000 0.493 95 A N 3.460 126.327 122.820 0.078 0.000 2.239 95 A HA 0.222 4.543 4.320 0.001 0.000 0.209 95 A C 1.791 179.395 177.584 0.033 0.000 1.171 95 A CA 0.936 53.009 52.037 0.060 0.000 0.768 95 A CB -0.234 18.810 19.000 0.073 0.000 0.790 95 A HN 0.613 nan 8.150 nan 0.000 0.478 96 A N 0.049 122.893 122.820 0.039 0.000 2.147 96 A HA 0.296 4.617 4.320 0.001 0.000 0.211 96 A C 1.400 178.998 177.584 0.024 0.000 1.160 96 A CA 0.705 52.757 52.037 0.024 0.000 0.781 96 A CB -0.406 18.616 19.000 0.037 0.000 0.842 96 A HN 0.695 nan 8.150 nan 0.000 0.475 97 S N -0.558 115.161 115.700 0.032 0.000 2.545 97 S HA 0.431 4.902 4.470 0.001 0.000 0.275 97 S C 0.455 175.071 174.600 0.027 0.000 1.299 97 S CA -0.626 57.592 58.200 0.030 0.000 1.048 97 S CB 1.155 64.377 63.200 0.036 0.000 0.938 97 S HN 0.406 nan 8.310 nan 0.000 0.496 98 R N 0.956 121.471 120.500 0.024 0.000 2.300 98 R HA 0.106 4.447 4.340 0.001 0.000 0.199 98 R C 0.094 176.410 176.300 0.027 0.000 0.920 98 R CA 0.356 56.470 56.100 0.023 0.000 1.046 98 R CB 0.038 30.349 30.300 0.018 0.000 0.984 98 R HN 0.622 nan 8.270 nan 0.000 0.493 99 T N 1.310 115.881 114.554 0.029 0.000 3.316 99 T HA 0.202 4.553 4.350 0.001 0.000 0.253 99 T C -0.283 174.438 174.700 0.035 0.000 0.995 99 T CA -0.266 61.851 62.100 0.030 0.000 1.031 99 T CB 0.281 69.164 68.868 0.026 0.000 1.125 99 T HN 0.015 nan 8.240 nan 0.000 0.539 100 K N 0.642 121.066 120.400 0.039 0.000 2.237 100 K HA 0.347 4.667 4.320 0.001 0.000 0.270 100 K C 1.067 177.694 176.600 0.045 0.000 1.015 100 K CA -0.526 55.788 56.287 0.045 0.000 0.949 100 K CB 1.219 33.750 32.500 0.052 0.000 0.976 100 K HN -0.083 nan 8.250 nan 0.000 0.472 101 V N 1.800 121.741 119.914 0.046 0.000 2.214 101 V HA -0.224 3.897 4.120 0.001 0.000 0.244 101 V C 0.482 176.605 176.094 0.049 0.000 1.045 101 V CA 1.561 63.888 62.300 0.044 0.000 0.993 101 V CB -0.245 31.603 31.823 0.043 0.000 0.633 101 V HN 0.751 nan 8.190 nan 0.000 0.449 102 E N 0.576 120.810 120.200 0.057 0.000 2.183 102 E HA 0.221 4.572 4.350 0.001 0.000 0.250 102 E C -1.221 175.421 176.600 0.070 0.000 0.901 102 E CA -0.517 55.922 56.400 0.064 0.000 0.741 102 E CB 0.683 30.424 29.700 0.068 0.000 1.182 102 E HN 0.441 nan 8.360 nan 0.000 0.425 103 D N 1.655 122.095 120.400 0.067 0.000 2.515 103 D HA -0.090 4.551 4.640 0.001 0.000 0.232 103 D C 1.271 177.602 176.300 0.051 0.000 1.157 103 D CA 0.510 54.546 54.000 0.061 0.000 0.871 103 D CB 0.627 41.464 40.800 0.063 0.000 1.200 103 D HN 0.345 nan 8.370 nan 0.000 0.466 104 T N 1.185 115.761 114.554 0.037 0.000 2.780 104 T HA -0.369 3.981 4.350 0.001 0.000 0.255 104 T C 1.756 176.446 174.700 -0.016 0.000 1.065 104 T CA 2.043 64.151 62.100 0.013 0.000 1.155 104 T CB -0.206 68.652 68.868 -0.017 0.000 0.837 104 T HN 0.476 nan 8.240 nan 0.000 0.479 105 R N 0.975 121.448 120.500 -0.045 0.000 2.091 105 R HA -0.162 4.179 4.340 0.001 0.000 0.238 105 R C 1.693 178.019 176.300 0.044 0.000 1.136 105 R CA 2.086 58.166 56.100 -0.034 0.000 0.959 105 R CB -0.331 29.982 30.300 0.022 0.000 0.856 105 R HN 0.470 nan 8.270 nan 0.000 0.437 106 D N 0.207 120.650 120.400 0.071 0.000 2.249 106 D HA -0.061 4.579 4.640 0.001 0.000 0.205 106 D C 1.937 178.299 176.300 0.104 0.000 0.962 106 D CA 0.667 54.720 54.000 0.088 0.000 0.860 106 D CB 0.031 40.884 40.800 0.087 0.000 0.955 106 D HN 0.292 nan 8.370 nan 0.000 0.505 107 L N 0.174 121.462 121.223 0.109 0.000 2.341 107 L HA 0.063 4.404 4.340 0.001 0.000 0.214 107 L C 2.079 179.050 176.870 0.168 0.000 1.115 107 L CA 0.324 55.267 54.840 0.173 0.000 0.820 107 L CB 0.056 42.235 42.059 0.201 0.000 0.944 107 L HN -0.053 nan 8.230 nan 0.000 0.452 108 L N -0.690 120.558 121.223 0.042 0.000 2.592 108 L HA -0.040 4.300 4.340 0.001 0.000 0.227 108 L C 1.635 178.499 176.870 -0.010 0.000 1.127 108 L CA 0.199 54.996 54.840 -0.071 0.000 0.884 108 L CB -0.068 41.915 42.059 -0.126 0.000 1.065 108 L HN 0.210 nan 8.230 nan 0.000 0.457 109 D N 0.333 120.764 120.400 0.052 0.000 2.123 109 D HA -0.163 4.478 4.640 0.001 0.000 0.200 109 D C 1.764 178.110 176.300 0.077 0.000 0.976 109 D CA 0.990 55.026 54.000 0.061 0.000 0.831 109 D CB 0.268 41.123 40.800 0.093 0.000 0.974 109 D HN 0.096 nan 8.370 nan 0.000 0.469 110 N N 0.143 118.949 118.700 0.177 0.000 2.550 110 N HA -0.076 4.665 4.740 0.001 0.000 0.186 110 N C 1.702 177.338 175.510 0.209 0.000 1.110 110 N CA 0.063 53.296 53.050 0.305 0.000 0.912 110 N CB 0.275 38.999 38.487 0.395 0.000 0.968 110 N HN 0.143 nan 8.380 nan 0.000 0.448 111 V N 2.087 122.090 119.914 0.147 0.000 2.233 111 V HA -0.339 3.782 4.120 0.001 0.000 0.256 111 V C 2.107 178.289 176.094 0.147 0.000 1.069 111 V CA 1.900 64.295 62.300 0.158 0.000 1.054 111 V CB -0.550 31.295 31.823 0.038 0.000 0.664 111 V HN 0.469 nan 8.190 nan 0.000 0.453 112 Q N -1.753 118.029 119.800 -0.031 0.000 2.561 112 Q HA -0.080 4.261 4.340 0.001 0.000 0.217 112 Q C 0.059 176.104 176.000 0.075 0.000 0.980 112 Q CA 0.486 56.288 55.803 -0.002 0.000 0.927 112 Q CB -0.190 28.465 28.738 -0.140 0.000 0.980 112 Q HN 0.694 nan 8.270 nan 0.000 0.525 113 Y N 0.229 120.656 120.300 0.212 0.000 2.301 113 Y HA 0.315 4.866 4.550 0.001 0.000 0.325 113 Y C 0.764 176.618 175.900 -0.077 0.000 1.203 113 Y CA -1.152 56.984 58.100 0.061 0.000 1.255 113 Y CB 0.674 39.161 38.460 0.045 0.000 1.232 113 Y HN -0.007 nan 8.280 nan 0.000 0.501 114 A N 4.653 127.440 122.820 -0.055 0.000 2.483 114 A HA 0.187 4.507 4.320 0.001 0.000 0.238 114 A C -2.325 175.190 177.584 -0.116 0.000 1.070 114 A CA -1.208 50.664 52.037 -0.276 0.000 0.770 114 A CB -0.549 18.330 19.000 -0.202 0.000 1.008 114 A HN 0.481 nan 8.150 nan 0.000 0.497 115 P HA 0.285 nan 4.420 nan 0.000 0.281 115 P C 0.609 177.854 177.300 -0.092 0.000 1.286 115 P CA 0.346 63.408 63.100 -0.064 0.000 0.772 115 P CB 1.315 33.004 31.700 -0.018 0.000 0.862 116 A N 6.016 128.765 122.820 -0.117 0.000 1.859 116 A HA -0.167 4.154 4.320 0.001 0.000 0.217 116 A C 1.047 178.564 177.584 -0.111 0.000 1.198 116 A CA 1.314 53.276 52.037 -0.124 0.000 0.629 116 A CB -0.440 18.466 19.000 -0.157 0.000 0.830 116 A HN 0.585 nan 8.150 nan 0.000 0.446 117 R N -1.447 118.969 120.500 -0.140 0.000 2.407 117 R HA 0.517 4.858 4.340 0.001 0.000 0.298 117 R C -0.279 176.050 176.300 0.049 0.000 1.166 117 R CA 0.350 56.419 56.100 -0.051 0.000 1.006 117 R CB 1.185 31.457 30.300 -0.046 0.000 1.145 117 R HN 0.810 nan 8.270 nan 0.000 0.538 118 G N 1.126 109.953 108.800 0.044 0.000 2.340 118 G HA2 -0.125 3.835 3.960 0.001 0.000 0.527 118 G HA3 -0.125 3.835 3.960 0.001 0.000 0.527 118 G C -0.045 174.840 174.900 -0.025 0.000 1.381 118 G CA -1.038 44.111 45.100 0.082 0.000 1.001 118 G HN 0.520 nan 8.290 nan 0.000 0.626 119 R N -0.830 119.614 120.500 -0.092 0.000 2.153 119 R HA 0.260 4.601 4.340 0.001 0.000 0.218 119 R C 0.279 176.183 176.300 -0.660 0.000 1.072 119 R CA 1.030 56.873 56.100 -0.428 0.000 0.990 119 R CB 0.057 29.996 30.300 -0.600 0.000 0.889 119 R HN 0.291 nan 8.270 nan 0.000 0.452 120 F N 0.129 120.137 119.950 0.096 0.000 2.588 120 F HA 0.377 4.905 4.527 0.001 0.000 0.314 120 F C 0.033 175.877 175.800 0.073 0.000 1.069 120 F CA -1.273 56.783 58.000 0.094 0.000 0.931 120 F CB 1.771 40.822 39.000 0.085 0.000 1.260 120 F HN -0.359 nan 8.300 nan 0.000 0.465 121 K N 2.589 123.138 120.400 0.249 0.000 2.432 121 K HA 0.518 4.838 4.320 0.001 0.000 0.226 121 K C -1.362 175.207 176.600 -0.052 0.000 1.057 121 K CA -0.235 56.089 56.287 0.062 0.000 1.034 121 K CB 0.463 33.018 32.500 0.092 0.000 1.561 121 K HN 0.525 nan 8.250 nan 0.000 0.492 122 V N 3.667 123.571 119.914 -0.016 0.000 2.715 122 V HA 0.074 4.195 4.120 0.001 0.000 0.299 122 V C -0.354 175.635 176.094 -0.175 0.000 1.054 122 V CA -0.101 62.177 62.300 -0.036 0.000 1.077 122 V CB 0.223 32.087 31.823 0.068 0.000 0.972 122 V HN 0.462 nan 8.190 nan 0.000 0.484 123 Y N 4.263 124.556 120.300 -0.012 0.000 2.388 123 Y HA 0.504 5.055 4.550 0.001 0.000 0.328 123 Y C -0.196 175.808 175.900 0.172 0.000 0.963 123 Y CA -0.637 57.514 58.100 0.084 0.000 1.240 123 Y CB 1.653 40.184 38.460 0.117 0.000 1.118 123 Y HN 0.504 nan 8.280 nan 0.000 0.484 124 L N 6.322 127.708 121.223 0.271 0.000 2.259 124 L HA 0.538 4.879 4.340 0.001 0.000 0.288 124 L C -0.948 176.062 176.870 0.233 0.000 1.051 124 L CA -0.459 54.526 54.840 0.241 0.000 0.824 124 L CB -0.060 42.100 42.059 0.169 0.000 1.206 124 L HN 0.449 nan 8.230 nan 0.000 0.429 125 I N 4.095 124.808 120.570 0.239 0.000 2.355 125 I HA 0.280 4.450 4.170 0.001 0.000 0.288 125 I C -0.573 175.645 176.117 0.168 0.000 0.999 125 I CA -0.683 60.731 61.300 0.190 0.000 1.163 125 I CB 1.512 39.611 38.000 0.164 0.000 1.316 125 I HN 0.494 nan 8.210 nan 0.000 0.454 126 D N 6.921 127.409 120.400 0.146 0.000 2.249 126 D HA 0.158 4.799 4.640 0.001 0.000 0.246 126 D C -0.081 176.308 176.300 0.149 0.000 1.114 126 D CA 0.378 54.460 54.000 0.138 0.000 0.854 126 D CB 0.740 41.607 40.800 0.111 0.000 1.132 126 D HN 0.409 nan 8.370 nan 0.000 0.461 127 E N 2.277 122.586 120.200 0.182 0.000 2.298 127 E HA -0.140 4.211 4.350 0.001 0.000 0.235 127 E C 1.323 178.111 176.600 0.313 0.000 1.167 127 E CA 0.751 57.322 56.400 0.284 0.000 0.708 127 E CB -2.048 27.791 29.700 0.231 0.000 1.236 127 E HN 0.456 nan 8.360 nan 0.000 0.386 128 V N -0.907 119.176 119.914 0.283 0.000 2.568 128 V HA -0.306 3.815 4.120 0.001 0.000 0.253 128 V C 2.326 178.648 176.094 0.380 0.000 1.072 128 V CA 2.234 64.680 62.300 0.243 0.000 1.084 128 V CB -0.858 31.045 31.823 0.134 0.000 0.676 128 V HN 0.593 nan 8.190 nan 0.000 0.469 129 H N -0.589 118.584 119.070 0.172 0.000 2.559 129 H HA 0.120 4.677 4.556 0.001 0.000 0.273 129 H C 1.642 177.019 175.328 0.081 0.000 1.000 129 H CA 1.048 57.189 56.048 0.156 0.000 1.195 129 H CB -0.447 29.365 29.762 0.083 0.000 1.368 129 H HN 0.404 nan 8.280 nan 0.000 0.592 130 M N 0.929 120.378 119.600 -0.252 0.000 2.495 130 M HA 0.204 4.685 4.480 0.001 0.000 0.237 130 M C 0.460 176.724 176.300 -0.060 0.000 1.131 130 M CA -0.129 55.015 55.300 -0.261 0.000 1.032 130 M CB 0.047 32.497 32.600 -0.250 0.000 1.513 130 M HN 0.116 nan 8.290 nan 0.000 0.488 131 L N 1.788 123.061 121.223 0.083 0.000 2.485 131 L HA 0.024 4.364 4.340 0.001 0.000 0.275 131 L C 1.034 177.938 176.870 0.056 0.000 1.207 131 L CA -0.254 54.675 54.840 0.149 0.000 0.855 131 L CB 0.334 42.624 42.059 0.386 0.000 1.114 131 L HN 0.269 nan 8.230 nan 0.000 0.485 132 S N 3.060 118.780 115.700 0.034 0.000 2.549 132 S HA 0.148 4.618 4.470 0.001 0.000 0.279 132 S C 1.150 175.758 174.600 0.013 0.000 1.321 132 S CA -0.641 57.562 58.200 0.006 0.000 1.054 132 S CB 1.000 64.220 63.200 0.033 0.000 0.899 132 S HN 0.639 nan 8.310 nan 0.000 0.497 133 R N 1.602 122.095 120.500 -0.013 0.000 2.134 133 R HA -0.225 4.115 4.340 0.001 0.000 0.248 133 R C 2.283 178.638 176.300 0.092 0.000 1.143 133 R CA 2.190 58.294 56.100 0.008 0.000 0.957 133 R CB -1.047 29.242 30.300 -0.019 0.000 0.867 133 R HN 0.990 nan 8.270 nan 0.000 0.441 134 H N 0.360 119.458 119.070 0.047 0.000 2.521 134 H HA 0.013 4.570 4.556 0.001 0.000 0.286 134 H C 1.546 176.906 175.328 0.053 0.000 1.034 134 H CA 1.570 57.645 56.048 0.044 0.000 1.278 134 H CB 0.033 29.809 29.762 0.024 0.000 1.386 134 H HN 0.288 nan 8.280 nan 0.000 0.567 135 S N -0.253 115.211 115.700 -0.393 0.000 2.456 135 S HA -0.062 4.409 4.470 0.001 0.000 0.224 135 S C 2.035 176.577 174.600 -0.096 0.000 1.035 135 S CA -0.080 57.948 58.200 -0.287 0.000 0.940 135 S CB -0.910 62.105 63.200 -0.308 0.000 0.799 135 S HN 0.269 nan 8.310 nan 0.000 0.508 136 F N 4.885 124.739 119.950 -0.159 0.000 2.063 136 F HA -0.247 4.281 4.527 0.001 0.000 0.298 136 F C 2.066 177.798 175.800 -0.112 0.000 1.109 136 F CA 2.310 60.239 58.000 -0.119 0.000 1.212 136 F CB -0.630 38.321 39.000 -0.082 0.000 0.973 136 F HN 0.366 nan 8.300 nan 0.000 0.480 137 N N 0.460 119.224 118.700 0.106 0.000 2.309 137 N HA -0.094 4.646 4.740 0.001 0.000 0.182 137 N C 1.668 177.140 175.510 -0.063 0.000 1.018 137 N CA 1.090 54.154 53.050 0.024 0.000 0.876 137 N CB -1.156 37.363 38.487 0.053 0.000 0.972 137 N HN 0.291 nan 8.380 nan 0.000 0.434 138 A N 1.109 123.883 122.820 -0.077 0.000 2.032 138 A HA -0.065 4.256 4.320 0.001 0.000 0.221 138 A C 2.160 179.642 177.584 -0.171 0.000 1.165 138 A CA 0.997 52.974 52.037 -0.100 0.000 0.645 138 A CB -0.827 18.117 19.000 -0.094 0.000 0.807 138 A HN 0.319 nan 8.150 nan 0.000 0.453 139 L N -0.818 120.245 121.223 -0.267 0.000 2.093 139 L HA -0.113 4.228 4.340 0.001 0.000 0.208 139 L C 2.305 178.984 176.870 -0.317 0.000 1.085 139 L CA 0.795 55.392 54.840 -0.405 0.000 0.755 139 L CB -0.469 41.246 42.059 -0.574 0.000 0.904 139 L HN 0.360 nan 8.230 nan 0.000 0.435 140 L N -0.060 121.027 121.223 -0.227 0.000 2.362 140 L HA -0.170 4.171 4.340 0.001 0.000 0.219 140 L C 2.571 179.375 176.870 -0.109 0.000 1.134 140 L CA 0.942 55.690 54.840 -0.153 0.000 0.807 140 L CB -0.492 41.508 42.059 -0.098 0.000 0.927 140 L HN 0.329 nan 8.230 nan 0.000 0.447 141 K N 0.071 120.409 120.400 -0.103 0.000 2.103 141 K HA -0.108 4.213 4.320 0.001 0.000 0.204 141 K C 1.884 178.437 176.600 -0.079 0.000 1.052 141 K CA 1.583 57.827 56.287 -0.073 0.000 0.945 141 K CB 0.163 32.627 32.500 -0.060 0.000 0.722 141 K HN 0.191 nan 8.250 nan 0.000 0.443 142 T N 1.731 116.224 114.554 -0.101 0.000 2.894 142 T HA 0.013 4.363 4.350 0.001 0.000 0.258 142 T C 1.859 176.508 174.700 -0.085 0.000 1.043 142 T CA 0.528 62.583 62.100 -0.074 0.000 1.141 142 T CB -0.095 68.757 68.868 -0.027 0.000 0.873 142 T HN 0.104 nan 8.240 nan 0.000 0.449 143 L N 0.802 121.941 121.223 -0.141 0.000 2.043 143 L HA -0.167 4.173 4.340 0.001 0.000 0.212 143 L C 2.584 179.412 176.870 -0.070 0.000 1.075 143 L CA 1.634 56.406 54.840 -0.112 0.000 0.752 143 L CB -0.392 41.566 42.059 -0.169 0.000 0.891 143 L HN 0.338 nan 8.230 nan 0.000 0.432 144 E N -0.720 119.438 120.200 -0.070 0.000 2.435 144 E HA -0.049 4.302 4.350 0.001 0.000 0.195 144 E C -0.027 176.530 176.600 -0.072 0.000 1.029 144 E CA 0.371 56.743 56.400 -0.047 0.000 0.865 144 E CB 0.405 30.083 29.700 -0.036 0.000 0.833 144 E HN 0.438 nan 8.360 nan 0.000 0.510 145 E N 0.866 121.007 120.200 -0.098 0.000 3.832 145 E HA 0.139 4.490 4.350 0.001 0.000 0.250 145 E C -2.619 173.910 176.600 -0.119 0.000 1.215 145 E CA -1.136 55.201 56.400 -0.105 0.000 1.179 145 E CB 1.367 31.028 29.700 -0.065 0.000 1.270 145 E HN 0.082 nan 8.360 nan 0.000 0.405 146 P HA 0.318 nan 4.420 nan 0.000 0.286 146 P C -2.312 174.889 177.300 -0.165 0.000 1.261 146 P CA -1.422 61.598 63.100 -0.134 0.000 0.821 146 P CB 0.992 32.630 31.700 -0.103 0.000 1.013 147 P HA 0.119 nan 4.420 nan 0.000 0.271 147 P C 0.582 177.747 177.300 -0.225 0.000 1.244 147 P CA 0.058 63.020 63.100 -0.229 0.000 0.793 147 P CB 1.047 32.488 31.700 -0.432 0.000 0.984 148 E N -0.375 119.752 120.200 -0.122 0.000 2.107 148 E HA -0.190 4.161 4.350 0.001 0.000 0.191 148 E C 1.790 178.433 176.600 0.071 0.000 0.982 148 E CA 1.259 57.665 56.400 0.010 0.000 0.809 148 E CB -0.693 29.051 29.700 0.073 0.000 0.756 148 E HN 0.684 nan 8.360 nan 0.000 0.459 149 H N -1.058 118.064 119.070 0.087 0.000 2.547 149 H HA 0.155 4.711 4.556 0.001 0.000 0.272 149 H C 0.298 175.740 175.328 0.190 0.000 0.989 149 H CA 0.018 56.124 56.048 0.097 0.000 1.214 149 H CB -0.092 29.681 29.762 0.018 0.000 1.389 149 H HN -0.123 nan 8.280 nan 0.000 0.577 150 V N 1.524 121.351 119.914 -0.146 0.000 2.612 150 V HA 0.331 4.452 4.120 0.001 0.000 0.301 150 V C -0.048 175.980 176.094 -0.110 0.000 1.046 150 V CA -0.931 61.305 62.300 -0.107 0.000 0.946 150 V CB 1.743 33.417 31.823 -0.248 0.000 1.003 150 V HN 0.272 nan 8.190 nan 0.000 0.459 151 K N 2.811 123.089 120.400 -0.204 0.000 2.464 151 K HA 0.588 4.909 4.320 0.001 0.000 0.253 151 K C -1.629 174.793 176.600 -0.297 0.000 0.933 151 K CA -0.396 55.797 56.287 -0.155 0.000 0.801 151 K CB 2.421 34.883 32.500 -0.064 0.000 1.271 151 K HN 0.434 nan 8.250 nan 0.000 0.430 152 F N 2.297 122.355 119.950 0.180 0.000 2.449 152 F HA 0.459 4.987 4.527 0.001 0.000 0.342 152 F C 0.110 176.032 175.800 0.202 0.000 1.127 152 F CA -0.767 57.339 58.000 0.177 0.000 0.975 152 F CB 1.156 40.200 39.000 0.073 0.000 1.146 152 F HN 0.073 nan 8.300 nan 0.000 0.444 153 L N 5.684 127.149 121.223 0.403 0.000 2.294 153 L HA 0.566 4.907 4.340 0.001 0.000 0.283 153 L C -0.783 176.294 176.870 0.347 0.000 1.015 153 L CA -0.478 54.597 54.840 0.391 0.000 0.831 153 L CB 1.056 43.337 42.059 0.370 0.000 1.217 153 L HN 0.500 nan 8.230 nan 0.000 0.420 154 L N 2.957 124.352 121.223 0.286 0.000 2.330 154 L HA 0.946 5.287 4.340 0.001 0.000 0.271 154 L C 0.005 177.035 176.870 0.268 0.000 1.013 154 L CA -0.597 54.371 54.840 0.212 0.000 0.816 154 L CB 1.980 44.093 42.059 0.090 0.000 1.287 154 L HN 0.681 nan 8.230 nan 0.000 0.435 155 A N 0.890 123.837 122.820 0.212 0.000 2.486 155 A HA 0.807 5.128 4.320 0.001 0.000 0.300 155 A C -0.787 176.869 177.584 0.120 0.000 1.048 155 A CA -0.496 51.661 52.037 0.199 0.000 0.696 155 A CB 2.184 21.298 19.000 0.190 0.000 1.278 155 A HN 0.582 nan 8.150 nan 0.000 0.405 156 T N 0.054 114.638 114.554 0.049 0.000 3.097 156 T HA 0.421 4.772 4.350 0.001 0.000 0.332 156 T C 0.643 175.260 174.700 -0.139 0.000 1.269 156 T CA 0.396 62.456 62.100 -0.066 0.000 1.076 156 T CB 1.251 70.023 68.868 -0.161 0.000 1.209 156 T HN 0.582 nan 8.240 nan 0.000 0.474 157 T N 2.851 117.307 114.554 -0.163 0.000 2.995 157 T HA 0.100 4.451 4.350 0.001 0.000 0.269 157 T C 0.135 174.741 174.700 -0.157 0.000 1.091 157 T CA 1.033 63.074 62.100 -0.098 0.000 1.128 157 T CB -0.184 68.686 68.868 0.003 0.000 0.891 157 T HN 0.618 nan 8.240 nan 0.000 0.492 158 D N -0.408 119.778 120.400 -0.358 0.000 2.602 158 D HA 0.313 4.954 4.640 0.001 0.000 0.245 158 D C -2.270 173.870 176.300 -0.266 0.000 1.325 158 D CA -1.985 51.867 54.000 -0.248 0.000 0.952 158 D CB 1.982 42.694 40.800 -0.146 0.000 1.317 158 D HN -0.195 nan 8.370 nan 0.000 0.577 159 P HA -0.058 nan 4.420 nan 0.000 0.217 159 P C 1.047 178.336 177.300 -0.019 0.000 1.154 159 P CA 0.825 63.884 63.100 -0.069 0.000 0.841 159 P CB 0.335 32.012 31.700 -0.038 0.000 0.788 160 Q N 0.078 119.874 119.800 -0.007 0.000 2.325 160 Q HA -0.181 4.159 4.340 0.001 0.000 0.211 160 Q C 1.346 177.365 176.000 0.032 0.000 0.988 160 Q CA 1.417 57.229 55.803 0.015 0.000 0.887 160 Q CB -0.657 28.091 28.738 0.017 0.000 0.915 160 Q HN 0.311 nan 8.270 nan 0.000 0.440 161 K N -0.154 120.280 120.400 0.057 0.000 2.437 161 K HA 0.168 4.489 4.320 0.001 0.000 0.198 161 K C -0.482 176.182 176.600 0.107 0.000 1.024 161 K CA -0.032 56.312 56.287 0.095 0.000 1.148 161 K CB 0.380 32.993 32.500 0.187 0.000 0.860 161 K HN 0.135 nan 8.250 nan 0.000 0.515 162 L N 3.135 124.421 121.223 0.105 0.000 2.287 162 L HA 0.324 4.665 4.340 0.001 0.000 0.287 162 L C -2.107 174.828 176.870 0.108 0.000 1.022 162 L CA -2.301 52.636 54.840 0.161 0.000 0.814 162 L CB 1.276 43.423 42.059 0.147 0.000 1.217 162 L HN -0.058 nan 8.230 nan 0.000 0.420 163 P HA -0.008 nan 4.420 nan 0.000 0.269 163 P C 0.903 178.241 177.300 0.063 0.000 1.209 163 P CA -0.292 62.857 63.100 0.081 0.000 0.776 163 P CB 1.151 32.913 31.700 0.103 0.000 0.876 164 V N 1.703 121.634 119.914 0.028 0.000 2.982 164 V HA -0.229 3.892 4.120 0.001 0.000 0.265 164 V C 2.523 178.617 176.094 -0.001 0.000 1.122 164 V CA 2.387 64.691 62.300 0.006 0.000 1.143 164 V CB -2.336 29.485 31.823 -0.003 0.000 0.726 164 V HN 0.703 nan 8.190 nan 0.000 0.507 165 T N -1.296 113.267 114.554 0.015 0.000 2.788 165 T HA -0.091 4.260 4.350 0.001 0.000 0.268 165 T C 1.785 176.468 174.700 -0.028 0.000 1.044 165 T CA 1.643 63.743 62.100 -0.000 0.000 1.139 165 T CB -0.262 68.618 68.868 0.020 0.000 0.867 165 T HN 0.457 nan 8.240 nan 0.000 0.454 166 I N 0.223 120.781 120.570 -0.020 0.000 2.628 166 I HA 0.145 4.315 4.170 0.001 0.000 0.255 166 I C 2.365 178.436 176.117 -0.077 0.000 1.119 166 I CA 0.463 61.718 61.300 -0.076 0.000 1.448 166 I CB -0.172 37.765 38.000 -0.106 0.000 1.133 166 I HN 0.167 nan 8.210 nan 0.000 0.438 167 L N 0.907 122.102 121.223 -0.046 0.000 2.353 167 L HA -0.172 4.169 4.340 0.001 0.000 0.220 167 L C 2.545 179.364 176.870 -0.086 0.000 1.133 167 L CA 1.533 56.335 54.840 -0.064 0.000 0.798 167 L CB -0.447 41.590 42.059 -0.038 0.000 0.922 167 L HN 0.393 nan 8.230 nan 0.000 0.445 168 S N -1.218 114.438 115.700 -0.075 0.000 2.483 168 S HA -0.013 4.458 4.470 0.001 0.000 0.221 168 S C 1.876 176.419 174.600 -0.095 0.000 1.030 168 S CA -0.295 57.858 58.200 -0.080 0.000 0.925 168 S CB 0.021 63.188 63.200 -0.055 0.000 0.795 168 S HN 0.371 nan 8.310 nan 0.000 0.511 169 R N -0.065 120.379 120.500 -0.093 0.000 2.240 169 R HA 0.268 4.609 4.340 0.001 0.000 0.203 169 R C 0.052 176.273 176.300 -0.132 0.000 1.011 169 R CA 0.228 56.276 56.100 -0.087 0.000 1.007 169 R CB -0.291 29.966 30.300 -0.070 0.000 0.911 169 R HN 0.370 nan 8.270 nan 0.000 0.468 170 C N 0.652 119.846 119.300 -0.175 0.000 2.399 170 C HA 0.390 4.851 4.460 0.001 0.000 0.348 170 C C -0.063 174.722 174.990 -0.343 0.000 1.183 170 C CA -1.108 57.759 59.018 -0.252 0.000 2.023 170 C CB 1.254 28.863 27.740 -0.218 0.000 2.361 170 C HN 0.244 nan 8.230 nan 0.000 0.521 171 L N 3.552 124.477 121.223 -0.497 0.000 2.314 171 L HA 0.322 4.663 4.340 0.001 0.000 0.275 171 L C 0.275 176.750 176.870 -0.659 0.000 1.068 171 L CA 0.320 54.789 54.840 -0.618 0.000 0.894 171 L CB -0.087 41.491 42.059 -0.802 0.000 1.275 171 L HN 0.827 nan 8.230 nan 0.000 0.432 172 Q N 2.447 121.927 119.800 -0.532 0.000 2.261 172 Q HA 0.504 4.845 4.340 0.001 0.000 0.252 172 Q C -1.400 174.301 176.000 -0.499 0.000 0.915 172 Q CA -0.308 55.230 55.803 -0.441 0.000 0.915 172 Q CB 1.162 29.763 28.738 -0.229 0.000 1.204 172 Q HN 0.424 nan 8.270 nan 0.000 0.421 173 F N 1.043 120.941 119.950 -0.085 0.000 2.495 173 F HA 0.288 4.816 4.527 0.001 0.000 0.327 173 F C -0.040 175.831 175.800 0.119 0.000 1.103 173 F CA -0.920 57.109 58.000 0.048 0.000 0.949 173 F CB 1.668 40.734 39.000 0.110 0.000 1.142 173 F HN 0.643 nan 8.300 nan 0.000 0.457 174 H N 4.763 124.012 119.070 0.298 0.000 2.519 174 H HA 0.462 5.019 4.556 0.001 0.000 0.316 174 H C -1.021 174.414 175.328 0.180 0.000 1.065 174 H CA -0.492 55.672 56.048 0.194 0.000 1.264 174 H CB 0.957 30.789 29.762 0.116 0.000 1.413 174 H HN 0.548 nan 8.280 nan 0.000 0.465 175 L N 6.063 127.489 121.223 0.338 0.000 2.257 175 L HA 0.237 4.578 4.340 0.001 0.000 0.290 175 L C 0.693 177.744 176.870 0.302 0.000 1.044 175 L CA -0.724 54.262 54.840 0.243 0.000 0.810 175 L CB 0.667 42.799 42.059 0.122 0.000 1.193 175 L HN 0.358 nan 8.230 nan 0.000 0.425 179 D N 0.308 120.706 120.400 -0.003 0.000 2.361 179 D HA 0.228 4.868 4.640 0.001 0.000 0.239 179 D C 0.807 177.105 176.300 -0.004 0.000 1.200 179 D CA -0.079 53.918 54.000 -0.004 0.000 0.915 179 D CB 1.636 42.432 40.800 -0.008 0.000 1.170 179 D HN 0.229 nan 8.370 nan 0.000 0.444 180 V N 1.886 121.798 119.914 -0.004 0.000 2.220 180 V HA -0.247 3.874 4.120 0.001 0.000 0.246 180 V C 2.283 178.379 176.094 0.004 0.000 1.049 180 V CA 2.395 64.694 62.300 -0.002 0.000 1.003 180 V CB -0.786 31.034 31.823 -0.006 0.000 0.634 180 V HN 0.728 nan 8.190 nan 0.000 0.444 181 E N -0.747 119.458 120.200 0.008 0.000 2.147 181 E HA -0.344 4.007 4.350 0.001 0.000 0.199 181 E C 2.307 178.927 176.600 0.034 0.000 1.005 181 E CA 1.897 58.312 56.400 0.025 0.000 0.810 181 E CB -0.148 29.566 29.700 0.024 0.000 0.736 181 E HN 0.607 nan 8.360 nan 0.000 0.460 182 Q N -0.139 119.665 119.800 0.007 0.000 2.112 182 Q HA -0.203 4.138 4.340 0.001 0.000 0.206 182 Q C 2.107 178.120 176.000 0.022 0.000 0.987 182 Q CA 1.641 57.444 55.803 -0.000 0.000 0.858 182 Q CB -0.017 28.712 28.738 -0.016 0.000 0.905 182 Q HN 0.418 nan 8.270 nan 0.000 0.420 183 I N -0.240 120.336 120.570 0.010 0.000 2.277 183 I HA -0.225 3.946 4.170 0.001 0.000 0.243 183 I C 2.605 178.717 176.117 -0.010 0.000 1.094 183 I CA 0.537 61.834 61.300 -0.006 0.000 1.393 183 I CB -0.416 37.575 38.000 -0.014 0.000 1.078 183 I HN 0.215 nan 8.210 nan 0.000 0.417 184 R N 0.969 121.471 120.500 0.004 0.000 2.112 184 R HA -0.294 4.047 4.340 0.001 0.000 0.242 184 R C 2.355 178.649 176.300 -0.009 0.000 1.137 184 R CA 2.089 58.185 56.100 -0.007 0.000 0.944 184 R CB -1.140 29.170 30.300 0.016 0.000 0.857 184 R HN 0.441 nan 8.270 nan 0.000 0.435 185 H N 0.004 119.044 119.070 -0.050 0.000 2.422 185 H HA -0.152 4.405 4.556 0.001 0.000 0.298 185 H C 1.954 177.247 175.328 -0.059 0.000 1.098 185 H CA 2.213 58.234 56.048 -0.046 0.000 1.315 185 H CB 0.285 30.026 29.762 -0.035 0.000 1.382 185 H HN 0.305 nan 8.280 nan 0.000 0.523 186 Q N 0.650 120.465 119.800 0.025 0.000 2.096 186 Q HA -0.024 4.317 4.340 0.001 0.000 0.197 186 Q C 2.707 178.610 176.000 -0.162 0.000 0.964 186 Q CA 0.974 56.747 55.803 -0.049 0.000 0.838 186 Q CB -0.339 28.370 28.738 -0.048 0.000 0.906 186 Q HN 0.468 nan 8.270 nan 0.000 0.444 187 L N 0.495 121.614 121.223 -0.173 0.000 1.990 187 L HA -0.252 4.089 4.340 0.001 0.000 0.213 187 L C 2.556 179.238 176.870 -0.313 0.000 1.072 187 L CA 2.070 56.766 54.840 -0.241 0.000 0.755 187 L CB -0.674 41.277 42.059 -0.180 0.000 0.889 187 L HN 0.450 nan 8.230 nan 0.000 0.432 188 E N -0.395 119.622 120.200 -0.304 0.000 2.035 188 E HA -0.356 3.995 4.350 0.001 0.000 0.204 188 E C 2.265 178.644 176.600 -0.369 0.000 1.025 188 E CA 1.794 57.945 56.400 -0.416 0.000 0.835 188 E CB -0.288 29.207 29.700 -0.343 0.000 0.764 188 E HN 0.476 nan 8.360 nan 0.000 0.457 189 H N 0.386 119.238 119.070 -0.364 0.000 2.431 189 H HA -0.174 4.383 4.556 0.001 0.000 0.297 189 H C 2.084 177.228 175.328 -0.307 0.000 1.115 189 H CA 1.931 57.811 56.048 -0.279 0.000 1.277 189 H CB -0.090 29.545 29.762 -0.212 0.000 1.372 189 H HN 0.290 nan 8.280 nan 0.000 0.516 190 I N 0.144 120.431 120.570 -0.471 0.000 2.406 190 I HA -0.217 3.954 4.170 0.001 0.000 0.249 190 I C 2.491 178.354 176.117 -0.423 0.000 1.122 190 I CA 0.445 61.307 61.300 -0.731 0.000 1.431 190 I CB -0.057 37.289 38.000 -1.090 0.000 1.087 190 I HN 0.150 nan 8.210 nan 0.000 0.424 191 L N 0.318 121.317 121.223 -0.373 0.000 2.240 191 L HA -0.093 4.248 4.340 0.001 0.000 0.211 191 L C 2.177 178.952 176.870 -0.158 0.000 1.106 191 L CA 0.675 55.369 54.840 -0.242 0.000 0.793 191 L CB -0.627 41.257 42.059 -0.292 0.000 0.927 191 L HN 0.296 nan 8.230 nan 0.000 0.446 192 N N 0.420 118.983 118.700 -0.227 0.000 2.092 192 N HA -0.202 4.539 4.740 0.001 0.000 0.189 192 N C 1.760 177.108 175.510 -0.271 0.000 1.040 192 N CA 1.231 54.194 53.050 -0.144 0.000 0.845 192 N CB -0.115 38.277 38.487 -0.159 0.000 1.017 192 N HN 0.303 nan 8.380 nan 0.000 0.426 193 E N 0.552 120.559 120.200 -0.322 0.000 2.209 193 E HA -0.149 4.202 4.350 0.001 0.000 0.196 193 E C 0.775 177.211 176.600 -0.273 0.000 0.993 193 E CA 0.856 57.078 56.400 -0.297 0.000 0.819 193 E CB 0.220 29.818 29.700 -0.171 0.000 0.745 193 E HN 0.186 nan 8.360 nan 0.000 0.477 194 E N -0.220 119.886 120.200 -0.156 0.000 2.489 194 E HA -0.040 4.311 4.350 0.001 0.000 0.193 194 E C -0.555 176.046 176.600 0.002 0.000 1.057 194 E CA 0.167 56.546 56.400 -0.036 0.000 0.866 194 E CB 0.128 29.858 29.700 0.051 0.000 0.916 194 E HN 0.275 nan 8.360 nan 0.000 0.500 195 H N -0.487 118.600 119.070 0.027 0.000 2.702 195 H HA -0.185 4.371 4.556 0.001 0.000 0.328 195 H C -0.308 175.038 175.328 0.031 0.000 1.111 195 H CA 0.698 56.763 56.048 0.027 0.000 1.109 195 H CB -2.051 27.722 29.762 0.019 0.000 1.606 195 H HN 0.164 nan 8.280 nan 0.000 0.399 196 I N -0.068 120.583 120.570 0.136 0.000 2.582 196 I HA 0.470 4.641 4.170 0.001 0.000 0.292 196 I C 0.561 176.751 176.117 0.121 0.000 1.066 196 I CA -0.897 60.463 61.300 0.101 0.000 1.053 196 I CB 2.071 40.109 38.000 0.064 0.000 1.241 196 I HN 0.433 nan 8.210 nan 0.000 0.421 197 A N 6.261 129.121 122.820 0.066 0.000 2.524 197 A HA 0.348 4.669 4.320 0.001 0.000 0.250 197 A C -0.310 177.304 177.584 0.050 0.000 1.078 197 A CA 0.373 52.419 52.037 0.015 0.000 0.761 197 A CB -0.296 18.698 19.000 -0.009 0.000 1.012 197 A HN 0.849 nan 8.150 nan 0.000 0.500 198 H N 0.691 119.750 119.070 -0.017 0.000 2.961 198 H HA 0.644 5.201 4.556 0.001 0.000 0.371 198 H C -1.266 174.049 175.328 -0.022 0.000 1.190 198 H CA -0.750 55.282 56.048 -0.026 0.000 1.138 198 H CB 1.222 30.959 29.762 -0.041 0.000 1.816 198 H HN 0.624 nan 8.280 nan 0.000 0.551 199 E N 1.461 121.704 120.200 0.071 0.000 2.249 199 E HA 0.253 4.604 4.350 0.001 0.000 0.263 199 E C -1.913 174.750 176.600 0.106 0.000 0.950 199 E CA -2.299 54.118 56.400 0.028 0.000 0.827 199 E CB 2.481 32.188 29.700 0.013 0.000 1.220 199 E HN 0.365 nan 8.360 nan 0.000 0.411 200 P HA -0.083 nan 4.420 nan 0.000 0.213 200 P C 1.062 178.388 177.300 0.043 0.000 1.170 200 P CA 1.073 64.213 63.100 0.066 0.000 0.889 200 P CB 0.186 31.912 31.700 0.043 0.000 0.782 201 R N -0.227 120.291 120.500 0.030 0.000 2.200 201 R HA -0.112 4.229 4.340 0.001 0.000 0.234 201 R C 1.912 178.222 176.300 0.017 0.000 1.127 201 R CA 1.320 57.432 56.100 0.021 0.000 0.989 201 R CB -0.638 29.671 30.300 0.015 0.000 0.869 201 R HN 0.079 nan 8.270 nan 0.000 0.459 202 A N 0.869 123.703 122.820 0.023 0.000 1.855 202 A HA -0.106 4.215 4.320 0.001 0.000 0.215 202 A C 2.086 179.673 177.584 0.006 0.000 1.191 202 A CA 1.001 53.047 52.037 0.016 0.000 0.613 202 A CB -0.492 18.524 19.000 0.027 0.000 0.829 202 A HN 0.314 nan 8.150 nan 0.000 0.442 203 L N -0.420 120.807 121.223 0.007 0.000 2.191 203 L HA -0.233 4.107 4.340 0.001 0.000 0.212 203 L C 2.863 179.724 176.870 -0.016 0.000 1.103 203 L CA 1.034 55.861 54.840 -0.023 0.000 0.769 203 L CB -0.622 41.411 42.059 -0.044 0.000 0.908 203 L HN 0.457 nan 8.230 nan 0.000 0.438 204 Q N 0.166 119.966 119.800 0.000 0.000 1.990 204 Q HA -0.143 4.198 4.340 0.001 0.000 0.200 204 Q C 2.451 178.450 176.000 -0.002 0.000 0.980 204 Q CA 1.327 57.133 55.803 0.003 0.000 0.832 204 Q CB -0.420 28.325 28.738 0.013 0.000 0.897 204 Q HN 0.500 nan 8.270 nan 0.000 0.427 205 L N 0.626 121.849 121.223 -0.001 0.000 2.081 205 L HA -0.223 4.118 4.340 0.001 0.000 0.212 205 L C 2.491 179.355 176.870 -0.009 0.000 1.080 205 L CA 0.901 55.739 54.840 -0.004 0.000 0.754 205 L CB -0.392 41.665 42.059 -0.004 0.000 0.893 205 L HN 0.192 nan 8.230 nan 0.000 0.433 206 L N -1.144 120.071 121.223 -0.013 0.000 2.072 206 L HA -0.154 4.186 4.340 0.001 0.000 0.205 206 L C 2.793 179.651 176.870 -0.021 0.000 1.079 206 L CA 1.046 55.874 54.840 -0.020 0.000 0.752 206 L CB -0.540 41.501 42.059 -0.030 0.000 0.906 206 L HN 0.230 nan 8.230 nan 0.000 0.436 207 A N 0.140 122.947 122.820 -0.021 0.000 1.855 207 A HA -0.183 4.138 4.320 0.001 0.000 0.215 207 A C 2.329 179.907 177.584 -0.011 0.000 1.191 207 A CA 1.285 53.312 52.037 -0.018 0.000 0.613 207 A CB -0.463 18.528 19.000 -0.015 0.000 0.829 207 A HN 0.294 nan 8.150 nan 0.000 0.442 208 R N -0.384 120.111 120.500 -0.008 0.000 2.127 208 R HA -0.104 4.237 4.340 0.001 0.000 0.238 208 R C 2.373 178.671 176.300 -0.004 0.000 1.134 208 R CA 1.142 57.239 56.100 -0.005 0.000 0.975 208 R CB -0.472 29.826 30.300 -0.003 0.000 0.865 208 R HN 0.524 nan 8.270 nan 0.000 0.447 209 A N 1.593 124.409 122.820 -0.006 0.000 1.930 209 A HA 0.060 4.381 4.320 0.001 0.000 0.217 209 A C 1.311 178.892 177.584 -0.004 0.000 1.175 209 A CA 1.094 53.128 52.037 -0.005 0.000 0.627 209 A CB -0.181 18.815 19.000 -0.007 0.000 0.815 209 A HN 0.322 nan 8.150 nan 0.000 0.443 210 A N 0.967 123.783 122.820 -0.006 0.000 2.376 210 A HA 0.432 4.753 4.320 0.001 0.000 0.298 210 A C -0.321 177.262 177.584 -0.001 0.000 1.271 210 A CA -0.393 51.641 52.037 -0.004 0.000 0.926 210 A CB -0.366 18.628 19.000 -0.010 0.000 1.141 210 A HN 0.492 nan 8.150 nan 0.000 0.539 211 E N 2.127 122.329 120.200 0.004 0.000 1.775 211 E HA 0.367 4.718 4.350 0.001 0.000 0.266 211 E C 1.181 177.787 176.600 0.010 0.000 1.191 211 E CA 0.636 57.041 56.400 0.007 0.000 1.048 211 E CB 0.000 29.707 29.700 0.010 0.000 1.081 211 E HN 1.109 nan 8.360 nan 0.000 0.434 212 G N 2.788 111.592 108.800 0.007 0.000 2.184 212 G HA2 -0.339 3.622 3.960 0.001 0.000 0.264 212 G HA3 -0.339 3.622 3.960 0.001 0.000 0.264 212 G C 0.302 175.208 174.900 0.010 0.000 0.975 212 G CA 0.492 45.597 45.100 0.009 0.000 0.642 212 G HN 0.569 nan 8.290 nan 0.000 0.536 213 S N -0.459 115.245 115.700 0.007 0.000 2.474 213 S HA 0.666 5.137 4.470 0.001 0.000 0.321 213 S C 0.896 175.495 174.600 -0.002 0.000 1.080 213 S CA -0.323 57.880 58.200 0.006 0.000 1.106 213 S CB 2.100 65.305 63.200 0.009 0.000 0.984 213 S HN 0.631 nan 8.310 nan 0.000 0.464 214 L N 3.306 124.527 121.223 -0.003 0.000 2.156 214 L HA 0.136 4.476 4.340 0.001 0.000 0.208 214 L C 2.574 179.440 176.870 -0.007 0.000 1.095 214 L CA 1.468 56.302 54.840 -0.011 0.000 0.770 214 L CB -0.805 41.249 42.059 -0.008 0.000 0.914 214 L HN 0.912 nan 8.230 nan 0.000 0.439 215 R N -0.347 120.155 120.500 0.002 0.000 2.097 215 R HA -0.205 4.136 4.340 0.001 0.000 0.236 215 R C 1.855 178.158 176.300 0.004 0.000 1.135 215 R CA 2.286 58.391 56.100 0.008 0.000 0.934 215 R CB -0.348 29.958 30.300 0.010 0.000 0.846 215 R HN 0.402 nan 8.270 nan 0.000 0.431 216 D N 0.058 120.459 120.400 0.002 0.000 2.117 216 D HA -0.109 4.531 4.640 0.001 0.000 0.198 216 D C 1.819 178.114 176.300 -0.009 0.000 0.982 216 D CA 1.287 55.287 54.000 0.000 0.000 0.828 216 D CB -0.387 40.414 40.800 0.003 0.000 0.967 216 D HN 0.414 nan 8.370 nan 0.000 0.464 217 A N 1.243 124.054 122.820 -0.016 0.000 1.915 217 A HA -0.218 4.103 4.320 0.001 0.000 0.220 217 A C 2.401 179.960 177.584 -0.041 0.000 1.198 217 A CA 1.386 53.405 52.037 -0.029 0.000 0.647 217 A CB -0.956 18.021 19.000 -0.037 0.000 0.825 217 A HN 0.237 nan 8.150 nan 0.000 0.456 218 L N -0.116 121.083 121.223 -0.040 0.000 2.109 218 L HA -0.131 4.210 4.340 0.001 0.000 0.207 218 L C 2.973 179.829 176.870 -0.024 0.000 1.086 218 L CA 1.422 56.234 54.840 -0.047 0.000 0.760 218 L CB -0.461 41.575 42.059 -0.038 0.000 0.910 218 L HN 0.621 nan 8.230 nan 0.000 0.437 219 S N 0.056 115.750 115.700 -0.009 0.000 2.419 219 S HA -0.115 4.356 4.470 0.001 0.000 0.233 219 S C 1.905 176.502 174.600 -0.006 0.000 1.016 219 S CA 0.837 59.037 58.200 -0.001 0.000 0.974 219 S CB -0.348 62.855 63.200 0.005 0.000 0.786 219 S HN 0.380 nan 8.310 nan 0.000 0.492 220 L N 0.723 121.939 121.223 -0.012 0.000 2.095 220 L HA -0.002 4.339 4.340 0.001 0.000 0.204 220 L C 2.904 179.764 176.870 -0.017 0.000 1.080 220 L CA 1.414 56.246 54.840 -0.013 0.000 0.759 220 L CB -1.157 40.893 42.059 -0.014 0.000 0.914 220 L HN 0.338 nan 8.230 nan 0.000 0.439 221 T N -0.907 113.629 114.554 -0.029 0.000 2.803 221 T HA -0.182 4.169 4.350 0.001 0.000 0.269 221 T C 1.391 176.077 174.700 -0.024 0.000 1.052 221 T CA 1.298 63.375 62.100 -0.037 0.000 1.136 221 T CB -0.201 68.626 68.868 -0.067 0.000 0.864 221 T HN 0.300 nan 8.240 nan 0.000 0.467 222 D N 0.570 120.960 120.400 -0.016 0.000 2.224 222 D HA -0.022 4.619 4.640 0.001 0.000 0.205 222 D C 2.182 178.482 176.300 0.000 0.000 0.965 222 D CA 0.685 54.683 54.000 -0.003 0.000 0.852 222 D CB -0.018 40.786 40.800 0.005 0.000 0.947 222 D HN 0.228 nan 8.370 nan 0.000 0.494 223 Q N -0.148 119.651 119.800 -0.002 0.000 2.425 223 Q HA 0.145 4.486 4.340 0.001 0.000 0.204 223 Q C 1.589 177.588 176.000 -0.002 0.000 0.933 223 Q CA 0.055 55.858 55.803 -0.000 0.000 0.939 223 Q CB 0.557 29.295 28.738 -0.000 0.000 1.044 223 Q HN 0.182 nan 8.270 nan 0.000 0.513 224 A N -0.182 122.636 122.820 -0.004 0.000 2.030 224 A HA 0.044 4.364 4.320 0.001 0.000 0.215 224 A C 1.923 179.507 177.584 -0.000 0.000 1.164 224 A CA 0.297 52.332 52.037 -0.004 0.000 0.697 224 A CB -0.143 18.852 19.000 -0.007 0.000 0.827 224 A HN 0.282 nan 8.150 nan 0.000 0.457 225 I N -0.498 120.072 120.570 0.001 0.000 2.617 225 I HA -0.150 4.021 4.170 0.001 0.000 0.256 225 I C 2.699 178.820 176.117 0.006 0.000 1.167 225 I CA 0.888 62.191 61.300 0.005 0.000 1.469 225 I CB -0.059 37.945 38.000 0.007 0.000 1.098 225 I HN 0.356 nan 8.210 nan 0.000 0.436 226 A N 0.343 123.166 122.820 0.005 0.000 1.911 226 A HA -0.116 4.205 4.320 0.001 0.000 0.212 226 A C 2.460 180.046 177.584 0.004 0.000 1.189 226 A CA 1.301 53.341 52.037 0.005 0.000 0.639 226 A CB -0.626 18.378 19.000 0.006 0.000 0.839 226 A HN 0.415 nan 8.150 nan 0.000 0.449 227 S N 0.117 115.818 115.700 0.002 0.000 2.345 227 S HA 0.177 4.648 4.470 0.001 0.000 0.220 227 S C 1.528 176.128 174.600 0.000 0.000 1.031 227 S CA 1.261 59.461 58.200 0.000 0.000 0.996 227 S CB -1.070 62.129 63.200 -0.001 0.000 0.882 227 S HN 0.698 nan 8.310 nan 0.000 0.445 228 G N 1.407 110.208 108.800 0.000 0.000 2.546 228 G HA2 0.395 4.355 3.960 0.001 0.000 0.239 228 G HA3 0.395 4.355 3.960 0.001 0.000 0.239 228 G C -0.663 174.238 174.900 0.002 0.000 1.476 228 G CA -0.389 44.712 45.100 0.000 0.000 1.064 228 G HN 0.429 nan 8.290 nan 0.000 0.561 229 D N -0.479 119.922 120.400 0.002 0.000 2.398 229 D HA 0.300 4.941 4.640 0.001 0.000 0.247 229 D C 0.964 177.268 176.300 0.006 0.000 1.227 229 D CA 0.068 54.070 54.000 0.003 0.000 0.980 229 D CB 0.557 41.358 40.800 0.001 0.000 1.106 229 D HN 0.403 nan 8.370 nan 0.000 0.493 230 G N 0.454 109.258 108.800 0.008 0.000 3.090 230 G HA2 0.082 4.043 3.960 0.001 0.000 0.259 230 G HA3 0.082 4.043 3.960 0.001 0.000 0.259 230 G C -0.011 174.899 174.900 0.016 0.000 0.797 230 G CA 0.115 45.223 45.100 0.013 0.000 2.032 230 G HN 0.206 nan 8.290 nan 0.000 0.614 231 Q N -0.129 119.680 119.800 0.014 0.000 2.268 231 Q HA 0.217 4.557 4.340 0.001 0.000 0.266 231 Q C -1.099 174.913 176.000 0.019 0.000 1.006 231 Q CA -0.743 55.071 55.803 0.017 0.000 0.824 231 Q CB 3.024 31.767 28.738 0.008 0.000 1.306 231 Q HN 0.063 nan 8.270 nan 0.000 0.424 232 V N 2.992 122.926 119.914 0.034 0.000 2.276 232 V HA 0.137 4.258 4.120 0.001 0.000 0.249 232 V C 0.043 176.159 176.094 0.036 0.000 1.160 232 V CA 0.007 62.326 62.300 0.031 0.000 1.042 232 V CB -0.238 31.606 31.823 0.036 0.000 1.224 232 V HN 0.716 nan 8.190 nan 0.000 0.496 233 S N 2.053 117.763 115.700 0.017 0.000 2.608 233 S HA 0.344 4.814 4.470 0.001 0.000 0.291 233 S C 1.178 175.782 174.600 0.007 0.000 1.146 233 S CA -0.437 57.769 58.200 0.010 0.000 1.043 233 S CB 1.634 64.835 63.200 0.002 0.000 1.037 233 S HN 0.478 nan 8.310 nan 0.000 0.520 234 T N 1.424 115.981 114.554 0.005 0.000 2.699 234 T HA -0.211 4.140 4.350 0.001 0.000 0.268 234 T C 1.797 176.496 174.700 -0.003 0.000 1.036 234 T CA 2.008 64.109 62.100 0.002 0.000 1.147 234 T CB -0.487 68.382 68.868 0.001 0.000 0.862 234 T HN 0.772 nan 8.240 nan 0.000 0.446 235 Q N 0.250 120.048 119.800 -0.004 0.000 2.096 235 Q HA -0.154 4.187 4.340 0.001 0.000 0.204 235 Q C 2.434 178.430 176.000 -0.006 0.000 0.982 235 Q CA 1.617 57.417 55.803 -0.006 0.000 0.850 235 Q CB -0.240 28.494 28.738 -0.006 0.000 0.901 235 Q HN 0.588 nan 8.270 nan 0.000 0.422 236 A N -0.458 122.360 122.820 -0.004 0.000 1.854 236 A HA -0.090 4.231 4.320 0.001 0.000 0.214 236 A C 2.189 179.770 177.584 -0.006 0.000 1.192 236 A CA 1.255 53.289 52.037 -0.004 0.000 0.611 236 A CB -0.724 18.275 19.000 -0.001 0.000 0.832 236 A HN 0.276 nan 8.150 nan 0.000 0.442 237 V N 1.296 121.207 119.914 -0.004 0.000 2.252 237 V HA -0.256 3.864 4.120 0.001 0.000 0.249 237 V C 2.747 178.835 176.094 -0.009 0.000 1.056 237 V CA 2.443 64.739 62.300 -0.006 0.000 1.022 237 V CB -1.111 30.709 31.823 -0.005 0.000 0.641 237 V HN 0.778 nan 8.190 nan 0.000 0.445 238 S N 0.157 115.851 115.700 -0.010 0.000 2.660 238 S HA 0.203 4.674 4.470 0.001 0.000 0.223 238 S C 1.606 176.196 174.600 -0.018 0.000 0.963 238 S CA 0.732 58.923 58.200 -0.015 0.000 0.932 238 S CB -0.000 63.190 63.200 -0.016 0.000 0.775 238 S HN 0.553 nan 8.310 nan 0.000 0.531 239 A N 1.496 124.307 122.820 -0.014 0.000 1.997 239 A HA 0.401 4.722 4.320 0.001 0.000 0.212 239 A C 2.134 179.709 177.584 -0.014 0.000 1.178 239 A CA 0.453 52.481 52.037 -0.014 0.000 0.698 239 A CB -0.343 18.650 19.000 -0.011 0.000 0.842 239 A HN 0.554 nan 8.150 nan 0.000 0.458 240 M N -0.188 119.405 119.600 -0.012 0.000 2.191 240 M HA 0.161 4.642 4.480 0.001 0.000 0.262 240 M C 0.587 176.879 176.300 -0.013 0.000 1.083 240 M CA 0.614 55.907 55.300 -0.011 0.000 1.154 240 M CB -0.487 32.108 32.600 -0.008 0.000 1.344 240 M HN 0.210 nan 8.290 nan 0.000 0.431 244 L N 1.155 122.346 121.223 -0.053 0.000 2.083 244 L HA -0.006 4.335 4.340 0.001 0.000 0.209 244 L C 1.538 178.386 176.870 -0.036 0.000 1.083 244 L CA 1.582 56.390 54.840 -0.054 0.000 0.752 244 L CB -0.309 41.714 42.059 -0.060 0.000 0.899 244 L HN 0.975 nan 8.230 nan 0.000 0.433 245 D N -0.652 119.733 120.400 -0.026 0.000 3.041 245 D HA -0.175 4.466 4.640 0.001 0.000 0.220 245 D C -0.507 175.784 176.300 -0.015 0.000 1.157 245 D CA 0.741 54.730 54.000 -0.018 0.000 0.876 245 D CB -0.780 40.010 40.800 -0.017 0.000 1.107 245 D HN 0.384 nan 8.370 nan 0.000 0.422 246 D N -0.497 119.893 120.400 -0.017 0.000 2.490 246 D HA 0.208 4.849 4.640 0.001 0.000 0.232 246 D C 0.439 176.735 176.300 -0.007 0.000 1.053 246 D CA -0.573 53.419 54.000 -0.013 0.000 0.914 246 D CB 0.966 41.755 40.800 -0.017 0.000 1.431 246 D HN -0.143 nan 8.370 nan 0.000 0.483 247 D N 0.591 120.989 120.400 -0.003 0.000 2.379 247 D HA -0.087 4.554 4.640 0.001 0.000 0.243 247 D C 1.753 178.055 176.300 0.004 0.000 1.088 247 D CA 0.506 54.507 54.000 0.002 0.000 0.925 247 D CB 0.170 40.971 40.800 0.003 0.000 0.888 247 D HN 0.413 nan 8.370 nan 0.000 0.529 248 Q N 0.621 120.421 119.800 0.000 0.000 2.077 248 Q HA -0.209 4.132 4.340 0.001 0.000 0.206 248 Q C 2.191 178.200 176.000 0.015 0.000 0.989 248 Q CA 1.663 57.470 55.803 0.006 0.000 0.853 248 Q CB -0.415 28.321 28.738 -0.003 0.000 0.907 248 Q HN 0.278 nan 8.270 nan 0.000 0.418 249 A N 1.365 124.193 122.820 0.014 0.000 1.908 249 A HA -0.172 4.149 4.320 0.001 0.000 0.218 249 A C 2.136 179.733 177.584 0.020 0.000 1.181 249 A CA 1.466 53.516 52.037 0.023 0.000 0.627 249 A CB -0.611 18.402 19.000 0.022 0.000 0.818 249 A HN 0.335 nan 8.150 nan 0.000 0.445 250 L N 0.715 121.947 121.223 0.015 0.000 2.005 250 L HA -0.116 4.225 4.340 0.001 0.000 0.207 250 L C 2.729 179.603 176.870 0.006 0.000 1.072 250 L CA 2.813 57.660 54.840 0.012 0.000 0.744 250 L CB -0.709 41.357 42.059 0.011 0.000 0.895 250 L HN 0.448 nan 8.230 nan 0.000 0.433 251 S N -0.874 114.831 115.700 0.007 0.000 2.419 251 S HA -0.204 4.267 4.470 0.001 0.000 0.233 251 S C 2.099 176.702 174.600 0.006 0.000 1.016 251 S CA 1.452 59.656 58.200 0.006 0.000 0.974 251 S CB -0.937 62.268 63.200 0.008 0.000 0.786 251 S HN 0.477 nan 8.310 nan 0.000 0.492 252 L N 0.784 122.015 121.223 0.013 0.000 2.056 252 L HA -0.050 4.291 4.340 0.001 0.000 0.207 252 L C 2.619 179.486 176.870 -0.004 0.000 1.078 252 L CA 1.026 55.877 54.840 0.018 0.000 0.749 252 L CB -0.411 41.670 42.059 0.038 0.000 0.901 252 L HN 0.251 nan 8.230 nan 0.000 0.433 253 V N -0.081 119.824 119.914 -0.015 0.000 2.358 253 V HA -0.283 3.838 4.120 0.001 0.000 0.246 253 V C 2.318 178.369 176.094 -0.073 0.000 1.047 253 V CA 1.817 64.085 62.300 -0.054 0.000 1.035 253 V CB -0.334 31.467 31.823 -0.036 0.000 0.658 253 V HN 0.485 nan 8.190 nan 0.000 0.452 254 E N 0.119 120.298 120.200 -0.036 0.000 2.077 254 E HA -0.216 4.134 4.350 0.001 0.000 0.193 254 E C 2.304 178.890 176.600 -0.023 0.000 0.989 254 E CA 1.369 57.752 56.400 -0.028 0.000 0.800 254 E CB -0.342 29.352 29.700 -0.010 0.000 0.746 254 E HN 0.618 nan 8.360 nan 0.000 0.452 255 A N 1.907 124.718 122.820 -0.016 0.000 1.845 255 A HA -0.218 4.103 4.320 0.001 0.000 0.215 255 A C 2.207 179.785 177.584 -0.009 0.000 1.195 255 A CA 1.611 53.643 52.037 -0.008 0.000 0.616 255 A CB -0.674 18.326 19.000 0.000 0.000 0.832 255 A HN 0.278 nan 8.150 nan 0.000 0.443 256 M N 0.292 119.881 119.600 -0.019 0.000 2.103 256 M HA -0.194 4.286 4.480 0.001 0.000 0.255 256 M C 1.714 178.019 176.300 0.007 0.000 1.074 256 M CA 2.619 57.911 55.300 -0.014 0.000 1.090 256 M CB -0.379 32.178 32.600 -0.071 0.000 1.325 256 M HN 0.212 nan 8.290 nan 0.000 0.403 257 V N 0.104 119.965 119.914 -0.088 0.000 3.141 257 V HA -0.148 3.973 4.120 0.001 0.000 0.265 257 V C 1.561 177.811 176.094 0.260 0.000 1.126 257 V CA 1.529 63.833 62.300 0.008 0.000 1.141 257 V CB -0.978 30.748 31.823 -0.161 0.000 0.743 257 V HN 0.534 nan 8.190 nan 0.000 0.492 258 E N 0.254 120.504 120.200 0.082 0.000 2.452 258 E HA 0.449 4.800 4.350 0.001 0.000 0.197 258 E C 1.045 177.565 176.600 -0.132 0.000 1.022 258 E CA 0.501 56.910 56.400 0.015 0.000 0.890 258 E CB 0.340 30.041 29.700 0.000 0.000 0.918 258 E HN 0.475 nan 8.360 nan 0.000 0.496 259 A N 2.291 125.035 122.820 -0.127 0.000 2.917 259 A HA -0.174 4.147 4.320 0.001 0.000 0.286 259 A C 0.874 178.402 177.584 -0.094 0.000 1.435 259 A CA 0.673 52.605 52.037 -0.175 0.000 0.737 259 A CB -2.350 16.397 19.000 -0.422 0.000 1.049 259 A HN 0.326 nan 8.150 nan 0.000 0.483 260 N N 0.203 118.876 118.700 -0.044 0.000 2.422 260 N HA 0.105 4.846 4.740 0.001 0.000 0.181 260 N C 1.913 177.412 175.510 -0.018 0.000 1.080 260 N CA 1.838 54.870 53.050 -0.029 0.000 0.893 260 N CB -0.416 38.061 38.487 -0.017 0.000 0.973 260 N HN 1.542 nan 8.380 nan 0.000 0.456 261 G N 2.032 110.825 108.800 -0.012 0.000 3.567 261 G HA2 -0.526 3.435 3.960 0.001 0.000 0.379 261 G HA3 -0.526 3.435 3.960 0.001 0.000 0.379 261 G C 1.115 176.014 174.900 -0.002 0.000 2.015 261 G CA 1.772 46.869 45.100 -0.005 0.000 2.228 261 G HN 0.561 nan 8.290 nan 0.000 0.903 262 E N 0.566 120.762 120.200 -0.006 0.000 2.113 262 E HA -0.264 4.087 4.350 0.001 0.000 0.210 262 E C 2.441 179.043 176.600 0.004 0.000 1.040 262 E CA 2.563 58.962 56.400 -0.002 0.000 0.847 262 E CB -0.436 29.261 29.700 -0.006 0.000 0.755 262 E HN 0.701 nan 8.360 nan 0.000 0.459 263 R N -0.617 119.885 120.500 0.004 0.000 2.119 263 R HA -0.001 4.340 4.340 0.001 0.000 0.222 263 R C 2.204 178.514 176.300 0.017 0.000 1.088 263 R CA 1.016 57.122 56.100 0.009 0.000 0.984 263 R CB 0.035 30.338 30.300 0.005 0.000 0.884 263 R HN 0.187 nan 8.270 nan 0.000 0.447 264 V N 1.040 120.963 119.914 0.015 0.000 2.270 264 V HA -0.258 3.863 4.120 0.001 0.000 0.245 264 V C 2.344 178.457 176.094 0.031 0.000 1.043 264 V CA 1.485 63.800 62.300 0.025 0.000 1.014 264 V CB -0.338 31.499 31.823 0.023 0.000 0.645 264 V HN 0.314 nan 8.190 nan 0.000 0.447 265 M N 0.074 119.686 119.600 0.021 0.000 2.213 265 M HA -0.071 4.410 4.480 0.001 0.000 0.263 265 M C 2.270 178.589 176.300 0.032 0.000 1.062 265 M CA 1.815 57.127 55.300 0.020 0.000 1.105 265 M CB -1.770 30.834 32.600 0.007 0.000 1.385 265 M HN 0.401 nan 8.290 nan 0.000 0.417 266 A N 0.406 123.243 122.820 0.029 0.000 1.841 266 A HA -0.111 4.210 4.320 0.001 0.000 0.214 266 A C 2.340 179.954 177.584 0.049 0.000 1.195 266 A CA 1.317 53.373 52.037 0.033 0.000 0.611 266 A CB -1.001 18.013 19.000 0.023 0.000 0.835 266 A HN 0.439 nan 8.150 nan 0.000 0.443 267 L N -0.365 120.888 121.223 0.050 0.000 2.043 267 L HA -0.239 4.102 4.340 0.001 0.000 0.212 267 L C 2.481 179.415 176.870 0.106 0.000 1.075 267 L CA 1.446 56.324 54.840 0.062 0.000 0.752 267 L CB -0.547 41.544 42.059 0.053 0.000 0.891 267 L HN 0.412 nan 8.230 nan 0.000 0.432 268 I N -0.292 120.356 120.570 0.129 0.000 2.264 268 I HA -0.307 3.864 4.170 0.001 0.000 0.248 268 I C 2.359 178.645 176.117 0.281 0.000 1.111 268 I CA 1.179 62.616 61.300 0.229 0.000 1.382 268 I CB -0.393 37.682 38.000 0.125 0.000 1.060 268 I HN 0.383 nan 8.210 nan 0.000 0.418 269 N N 1.051 119.846 118.700 0.159 0.000 2.135 269 N HA -0.221 4.520 4.740 0.001 0.000 0.186 269 N C 1.797 177.379 175.510 0.120 0.000 1.027 269 N CA 1.558 54.691 53.050 0.137 0.000 0.849 269 N CB -0.101 38.433 38.487 0.077 0.000 1.002 269 N HN 0.326 nan 8.380 nan 0.000 0.425 270 E N -0.215 120.036 120.200 0.083 0.000 2.077 270 E HA -0.151 4.200 4.350 0.001 0.000 0.193 270 E C 1.770 178.394 176.600 0.040 0.000 0.989 270 E CA 1.099 57.529 56.400 0.051 0.000 0.800 270 E CB -0.195 29.526 29.700 0.035 0.000 0.746 270 E HN 0.423 nan 8.360 nan 0.000 0.452 271 A N 1.407 124.262 122.820 0.058 0.000 1.873 271 A HA -0.218 4.103 4.320 0.001 0.000 0.218 271 A C 2.457 179.991 177.584 -0.082 0.000 1.193 271 A CA 2.266 54.294 52.037 -0.016 0.000 0.629 271 A CB -1.073 17.946 19.000 0.031 0.000 0.826 271 A HN 0.433 nan 8.150 nan 0.000 0.447 272 A N -0.291 122.593 122.820 0.106 0.000 1.940 272 A HA 0.084 4.405 4.320 0.001 0.000 0.219 272 A C 2.477 180.095 177.584 0.057 0.000 1.176 272 A CA 2.327 54.468 52.037 0.174 0.000 0.631 272 A CB -1.056 18.226 19.000 0.470 0.000 0.814 272 A HN 1.247 nan 8.150 nan 0.000 0.446 273 A N -0.357 122.493 122.820 0.051 0.000 2.070 273 A HA -0.126 4.195 4.320 0.001 0.000 0.220 273 A C 2.000 179.576 177.584 -0.012 0.000 1.159 273 A CA 1.346 53.397 52.037 0.025 0.000 0.656 273 A CB -0.350 18.666 19.000 0.027 0.000 0.800 273 A HN 0.577 nan 8.150 nan 0.000 0.453 274 R N -0.881 119.591 120.500 -0.047 0.000 2.426 274 R HA 0.286 4.627 4.340 0.001 0.000 0.263 274 R C 0.858 177.095 176.300 -0.105 0.000 0.961 274 R CA 0.332 56.392 56.100 -0.066 0.000 1.086 274 R CB -0.153 30.104 30.300 -0.071 0.000 1.186 274 R HN 0.511 nan 8.270 nan 0.000 0.537 275 G N 2.393 111.122 108.800 -0.118 0.000 2.371 275 G HA2 -0.272 3.689 3.960 0.001 0.000 0.299 275 G HA3 -0.272 3.689 3.960 0.001 0.000 0.299 275 G C 0.175 174.921 174.900 -0.256 0.000 1.014 275 G CA 0.005 45.013 45.100 -0.154 0.000 1.097 275 G HN 0.301 nan 8.290 nan 0.000 0.512 276 I N -0.273 120.029 120.570 -0.447 0.000 2.823 276 I HA 0.209 4.380 4.170 0.001 0.000 0.290 276 I C 0.436 176.195 176.117 -0.598 0.000 1.091 276 I CA -0.556 60.439 61.300 -0.509 0.000 1.365 276 I CB 0.683 38.274 38.000 -0.681 0.000 1.427 276 I HN 0.116 nan 8.210 nan 0.000 0.583 277 E N 4.196 124.178 120.200 -0.364 0.000 1.963 277 E HA 0.029 4.380 4.350 0.001 0.000 0.274 277 E C 0.117 176.611 176.600 -0.177 0.000 1.061 277 E CA -0.171 56.095 56.400 -0.224 0.000 0.847 277 E CB 0.224 29.866 29.700 -0.098 0.000 1.083 277 E HN 0.572 nan 8.360 nan 0.000 0.402 278 W N 2.083 123.387 121.300 0.006 0.000 2.313 278 W HA -0.247 4.413 4.660 -0.000 0.000 0.293 278 W C 2.089 178.611 176.519 0.005 0.000 1.216 278 W CA 1.269 58.618 57.345 0.007 0.000 1.223 278 W CB -0.012 29.453 29.460 0.009 0.000 1.138 278 W HN 0.565 nan 8.180 nan 0.000 0.535 279 E N 0.306 120.629 120.200 0.204 0.000 2.107 279 E HA -0.146 4.205 4.350 0.001 0.000 0.191 279 E C 2.310 178.954 176.600 0.073 0.000 0.982 279 E CA 1.157 57.631 56.400 0.123 0.000 0.809 279 E CB -0.266 29.486 29.700 0.087 0.000 0.756 279 E HN 0.159 nan 8.360 nan 0.000 0.459 280 A N 1.001 123.845 122.820 0.041 0.000 1.972 280 A HA -0.160 4.161 4.320 0.001 0.000 0.219 280 A C 2.104 179.698 177.584 0.017 0.000 1.169 280 A CA 1.233 53.276 52.037 0.011 0.000 0.635 280 A CB -0.565 18.422 19.000 -0.021 0.000 0.810 280 A HN 0.399 nan 8.150 nan 0.000 0.446 281 L N -0.431 120.812 121.223 0.033 0.000 2.056 281 L HA -0.034 4.306 4.340 0.001 0.000 0.207 281 L C 2.170 179.082 176.870 0.069 0.000 1.078 281 L CA 1.592 56.462 54.840 0.050 0.000 0.749 281 L CB -0.465 41.652 42.059 0.097 0.000 0.901 281 L HN 0.372 nan 8.230 nan 0.000 0.433 282 L N -1.527 119.749 121.223 0.087 0.000 2.093 282 L HA -0.163 4.178 4.340 0.001 0.000 0.208 282 L C 2.422 179.305 176.870 0.022 0.000 1.085 282 L CA 0.800 55.674 54.840 0.058 0.000 0.755 282 L CB -0.450 41.643 42.059 0.058 0.000 0.904 282 L HN 0.139 nan 8.230 nan 0.000 0.435 283 V N -0.408 119.519 119.914 0.023 0.000 2.427 283 V HA -0.218 3.903 4.120 0.001 0.000 0.248 283 V C 2.491 178.597 176.094 0.020 0.000 1.051 283 V CA 1.465 63.771 62.300 0.010 0.000 1.048 283 V CB -0.395 31.434 31.823 0.011 0.000 0.666 283 V HN 0.429 nan 8.190 nan 0.000 0.456 284 E N -0.380 119.835 120.200 0.025 0.000 2.072 284 E HA -0.175 4.176 4.350 0.001 0.000 0.191 284 E C 2.221 178.848 176.600 0.045 0.000 0.985 284 E CA 1.289 57.708 56.400 0.032 0.000 0.801 284 E CB -0.331 29.384 29.700 0.024 0.000 0.750 284 E HN 0.533 nan 8.360 nan 0.000 0.452 285 M N 0.323 119.947 119.600 0.041 0.000 2.108 285 M HA -0.150 4.331 4.480 0.001 0.000 0.261 285 M C 2.456 178.798 176.300 0.069 0.000 1.066 285 M CA 1.213 56.541 55.300 0.048 0.000 1.107 285 M CB -0.342 32.282 32.600 0.040 0.000 1.356 285 M HN 0.076 nan 8.290 nan 0.000 0.406 286 L N -0.694 120.554 121.223 0.042 0.000 2.056 286 L HA -0.121 4.220 4.340 0.001 0.000 0.207 286 L C 2.670 179.671 176.870 0.218 0.000 1.078 286 L CA 1.334 56.207 54.840 0.055 0.000 0.749 286 L CB -1.128 40.865 42.059 -0.110 0.000 0.901 286 L HN 0.391 nan 8.230 nan 0.000 0.433 287 G N -0.167 108.715 108.800 0.138 0.000 2.422 287 G HA2 -0.185 3.776 3.960 0.001 0.000 0.218 287 G HA3 -0.185 3.776 3.960 0.001 0.000 0.218 287 G C 1.623 176.639 174.900 0.193 0.000 1.146 287 G CA 0.409 45.597 45.100 0.148 0.000 0.769 287 G HN 0.206 nan 8.290 nan 0.000 0.547 288 L N -0.249 121.059 121.223 0.142 0.000 2.027 288 L HA 0.071 4.412 4.340 0.001 0.000 0.206 288 L C 2.848 179.802 176.870 0.140 0.000 1.074 288 L CA 0.461 55.372 54.840 0.119 0.000 0.745 288 L CB -0.401 41.703 42.059 0.075 0.000 0.898 288 L HN 0.157 nan 8.230 nan 0.000 0.433 289 L N -0.639 120.693 121.223 0.181 0.000 2.187 289 L HA -0.272 4.069 4.340 0.001 0.000 0.213 289 L C 2.605 179.593 176.870 0.198 0.000 1.100 289 L CA 1.233 56.197 54.840 0.206 0.000 0.765 289 L CB -0.442 41.797 42.059 0.300 0.000 0.904 289 L HN 0.417 nan 8.230 nan 0.000 0.437 290 H N -0.275 118.880 119.070 0.142 0.000 2.284 290 H HA -0.085 4.471 4.556 0.001 0.000 0.304 290 H C 2.449 177.789 175.328 0.019 0.000 1.069 290 H CA 1.370 57.444 56.048 0.044 0.000 1.327 290 H CB 0.084 29.892 29.762 0.077 0.000 1.387 290 H HN 0.002 nan 8.280 nan 0.000 0.498 291 R N 0.296 120.803 120.500 0.011 0.000 2.103 291 R HA -0.147 4.194 4.340 0.001 0.000 0.242 291 R C 2.481 178.719 176.300 -0.104 0.000 1.142 291 R CA 1.826 57.886 56.100 -0.066 0.000 0.960 291 R CB -0.428 29.920 30.300 0.080 0.000 0.858 291 R HN 0.459 nan 8.270 nan 0.000 0.439 292 I N 0.542 121.089 120.570 -0.038 0.000 2.118 292 I HA -0.312 3.858 4.170 0.001 0.000 0.241 292 I C 2.613 178.691 176.117 -0.066 0.000 1.070 292 I CA 1.606 62.889 61.300 -0.029 0.000 1.327 292 I CB -0.668 37.337 38.000 0.009 0.000 1.034 292 I HN 0.207 nan 8.210 nan 0.000 0.405 293 A N 0.453 123.214 122.820 -0.099 0.000 2.019 293 A HA -0.194 4.127 4.320 0.001 0.000 0.219 293 A C 2.328 179.821 177.584 -0.153 0.000 1.164 293 A CA 1.429 53.396 52.037 -0.117 0.000 0.644 293 A CB -0.394 18.522 19.000 -0.140 0.000 0.805 293 A HN 0.331 nan 8.150 nan 0.000 0.449 294 M N -0.623 118.840 119.600 -0.228 0.000 2.200 294 M HA -0.065 4.416 4.480 0.001 0.000 0.265 294 M C 2.132 178.372 176.300 -0.100 0.000 1.066 294 M CA 1.153 56.338 55.300 -0.191 0.000 1.127 294 M CB -1.085 31.371 32.600 -0.240 0.000 1.379 294 M HN 0.252 nan 8.290 nan 0.000 0.420 295 V N 0.412 120.277 119.914 -0.081 0.000 2.515 295 V HA -0.238 3.883 4.120 0.001 0.000 0.250 295 V C 2.220 178.292 176.094 -0.036 0.000 1.058 295 V CA 1.404 63.678 62.300 -0.044 0.000 1.064 295 V CB -0.895 30.911 31.823 -0.028 0.000 0.675 295 V HN 0.533 nan 8.190 nan 0.000 0.461 296 Q N -0.882 118.892 119.800 -0.043 0.000 2.297 296 Q HA -0.091 4.250 4.340 0.001 0.000 0.204 296 Q C 2.074 178.055 176.000 -0.033 0.000 0.962 296 Q CA 0.981 56.765 55.803 -0.031 0.000 0.879 296 Q CB -0.022 28.698 28.738 -0.030 0.000 0.947 296 Q HN 0.504 nan 8.270 nan 0.000 0.462 297 L N -0.441 120.756 121.223 -0.044 0.000 2.253 297 L HA 0.081 4.422 4.340 0.001 0.000 0.205 297 L C 0.075 176.928 176.870 -0.029 0.000 1.078 297 L CA 0.918 55.736 54.840 -0.038 0.000 0.805 297 L CB 0.713 42.743 42.059 -0.049 0.000 0.963 297 L HN -0.063 nan 8.230 nan 0.000 0.459 298 S N -0.679 115.004 115.700 -0.029 0.000 2.673 298 S HA 0.397 4.868 4.470 0.001 0.000 0.256 298 S C -2.028 172.561 174.600 -0.018 0.000 1.141 298 S CA -0.900 57.288 58.200 -0.019 0.000 1.109 298 S CB 1.078 64.268 63.200 -0.017 0.000 1.101 298 S HN 0.088 nan 8.310 nan 0.000 0.471 299 P HA -0.112 nan 4.420 nan 0.000 0.231 299 P C 0.977 178.274 177.300 -0.005 0.000 1.154 299 P CA 1.013 64.107 63.100 -0.009 0.000 0.762 299 P CB -0.081 31.615 31.700 -0.006 0.000 0.790 300 A N -0.377 122.441 122.820 -0.003 0.000 2.275 300 A HA 0.422 4.743 4.320 0.001 0.000 0.212 300 A C 2.285 179.871 177.584 0.004 0.000 1.201 300 A CA 0.625 52.663 52.037 0.002 0.000 0.843 300 A CB -0.692 18.311 19.000 0.004 0.000 0.873 300 A HN 0.205 nan 8.150 nan 0.000 0.492 301 A N -0.137 122.682 122.820 -0.002 0.000 2.076 301 A HA 0.067 4.388 4.320 0.001 0.000 0.220 301 A C 1.057 178.648 177.584 0.011 0.000 1.160 301 A CA 0.441 52.478 52.037 -0.000 0.000 0.653 301 A CB -0.488 18.497 19.000 -0.024 0.000 0.801 301 A HN 0.451 nan 8.150 nan 0.000 0.455 302 L N 0.577 121.805 121.223 0.009 0.000 2.500 302 L HA 0.197 4.538 4.340 0.001 0.000 0.272 302 L C 1.446 178.330 176.870 0.023 0.000 1.149 302 L CA -0.312 54.538 54.840 0.017 0.000 0.897 302 L CB 0.548 42.615 42.059 0.013 0.000 1.178 302 L HN 0.403 nan 8.230 nan 0.000 0.473 303 G N 3.475 112.294 108.800 0.031 0.000 2.803 303 G HA2 -0.014 3.947 3.960 0.001 0.000 0.177 303 G HA3 -0.014 3.947 3.960 0.001 0.000 0.177 303 G C 0.839 175.757 174.900 0.030 0.000 1.629 303 G CA -0.161 44.960 45.100 0.034 0.000 1.077 303 G HN 0.644 nan 8.290 nan 0.000 0.556 304 N N 0.328 119.048 118.700 0.033 0.000 2.143 304 N HA -0.071 4.670 4.740 0.001 0.000 0.190 304 N C 1.455 176.979 175.510 0.024 0.000 1.058 304 N CA 1.118 54.186 53.050 0.030 0.000 0.860 304 N CB -0.465 38.045 38.487 0.038 0.000 1.044 304 N HN 0.308 nan 8.380 nan 0.000 0.445 305 D N 0.455 120.870 120.400 0.025 0.000 2.349 305 D HA 0.069 4.710 4.640 0.001 0.000 0.224 305 D C 1.367 177.677 176.300 0.017 0.000 1.029 305 D CA 0.001 54.011 54.000 0.018 0.000 0.879 305 D CB -0.096 40.715 40.800 0.017 0.000 0.906 305 D HN 0.119 nan 8.370 nan 0.000 0.528 306 M N -0.457 119.156 119.600 0.022 0.000 2.722 306 M HA 0.079 4.560 4.480 0.001 0.000 0.238 306 M C 1.504 177.814 176.300 0.017 0.000 1.098 306 M CA 0.204 55.517 55.300 0.022 0.000 1.062 306 M CB 0.222 32.839 32.600 0.029 0.000 1.573 306 M HN 0.017 nan 8.290 nan 0.000 0.531 307 A N -0.208 122.620 122.820 0.013 0.000 2.067 307 A HA 0.026 4.346 4.320 0.001 0.000 0.219 307 A C 2.238 179.826 177.584 0.007 0.000 1.158 307 A CA 1.441 53.483 52.037 0.010 0.000 0.661 307 A CB -0.756 18.249 19.000 0.007 0.000 0.801 307 A HN 0.615 nan 8.150 nan 0.000 0.452 308 A N -0.108 122.716 122.820 0.007 0.000 1.972 308 A HA -0.015 4.305 4.320 0.001 0.000 0.219 308 A C 1.975 179.563 177.584 0.006 0.000 1.169 308 A CA 1.548 53.588 52.037 0.005 0.000 0.635 308 A CB -0.441 18.562 19.000 0.005 0.000 0.810 308 A HN 0.521 nan 8.150 nan 0.000 0.446 309 I N -2.016 118.559 120.570 0.009 0.000 2.867 309 I HA -0.039 4.132 4.170 0.001 0.000 0.265 309 I C 1.940 178.062 176.117 0.009 0.000 1.162 309 I CA 0.717 62.023 61.300 0.010 0.000 1.471 309 I CB -0.235 37.773 38.000 0.013 0.000 1.123 309 I HN 0.324 nan 8.210 nan 0.000 0.440 310 E N 1.214 121.420 120.200 0.010 0.000 2.722 310 E HA -0.360 3.991 4.350 0.001 0.000 0.245 310 E C 1.931 178.535 176.600 0.007 0.000 1.004 310 E CA 2.573 58.978 56.400 0.009 0.000 1.405 310 E CB -0.484 29.221 29.700 0.007 0.000 1.325 310 E HN 0.243 nan 8.360 nan 0.000 0.479 311 L N 0.359 121.586 121.223 0.006 0.000 1.990 311 L HA -0.189 4.152 4.340 0.001 0.000 0.213 311 L C 2.469 179.342 176.870 0.006 0.000 1.072 311 L CA 2.223 57.066 54.840 0.005 0.000 0.755 311 L CB -0.577 41.484 42.059 0.005 0.000 0.889 311 L HN 0.165 nan 8.230 nan 0.000 0.432 312 R N -1.957 118.547 120.500 0.006 0.000 2.073 312 R HA -0.160 4.181 4.340 0.001 0.000 0.234 312 R C 2.148 178.453 176.300 0.007 0.000 1.134 312 R CA 1.392 57.496 56.100 0.006 0.000 0.952 312 R CB -0.372 29.932 30.300 0.006 0.000 0.850 312 R HN 0.288 nan 8.270 nan 0.000 0.433 313 M N 0.416 120.021 119.600 0.009 0.000 2.080 313 M HA -0.156 4.325 4.480 0.001 0.000 0.260 313 M C 2.116 178.420 176.300 0.007 0.000 1.068 313 M CA 1.717 57.023 55.300 0.010 0.000 1.109 313 M CB -0.804 31.804 32.600 0.013 0.000 1.342 313 M HN 0.098 nan 8.290 nan 0.000 0.405 314 R N -0.422 120.082 120.500 0.006 0.000 2.115 314 R HA -0.114 4.227 4.340 0.001 0.000 0.230 314 R C 2.055 178.359 176.300 0.006 0.000 1.111 314 R CA 0.753 56.856 56.100 0.004 0.000 0.976 314 R CB -0.185 30.117 30.300 0.004 0.000 0.870 314 R HN 0.380 nan 8.270 nan 0.000 0.445 315 E N 0.944 121.148 120.200 0.007 0.000 2.110 315 E HA -0.163 4.188 4.350 0.001 0.000 0.193 315 E C 2.064 178.671 176.600 0.011 0.000 0.988 315 E CA 1.042 57.447 56.400 0.009 0.000 0.804 315 E CB -0.061 29.644 29.700 0.009 0.000 0.745 315 E HN 0.356 nan 8.360 nan 0.000 0.458 316 L N 0.139 121.368 121.223 0.010 0.000 2.056 316 L HA -0.126 4.215 4.340 0.001 0.000 0.207 316 L C 2.576 179.455 176.870 0.015 0.000 1.078 316 L CA 0.995 55.842 54.840 0.012 0.000 0.749 316 L CB -0.550 41.513 42.059 0.006 0.000 0.901 316 L HN 0.047 nan 8.230 nan 0.000 0.433 317 A N 1.376 124.201 122.820 0.009 0.000 1.892 317 A HA -0.251 4.070 4.320 0.001 0.000 0.218 317 A C 2.333 179.922 177.584 0.008 0.000 1.188 317 A CA 2.196 54.236 52.037 0.006 0.000 0.631 317 A CB -0.607 18.392 19.000 -0.002 0.000 0.822 317 A HN 0.576 nan 8.150 nan 0.000 0.447 318 R N -0.605 119.901 120.500 0.009 0.000 2.240 318 R HA -0.011 4.330 4.340 0.001 0.000 0.203 318 R C 1.649 177.958 176.300 0.016 0.000 1.011 318 R CA 1.684 57.790 56.100 0.010 0.000 1.007 318 R CB -0.773 29.532 30.300 0.008 0.000 0.911 318 R HN 0.509 nan 8.270 nan 0.000 0.468 319 T N -1.782 112.784 114.554 0.021 0.000 3.023 319 T HA 0.306 4.657 4.350 0.001 0.000 0.249 319 T C 0.829 175.553 174.700 0.040 0.000 1.050 319 T CA -0.220 61.898 62.100 0.029 0.000 1.088 319 T CB 0.049 68.936 68.868 0.031 0.000 0.946 319 T HN 0.083 nan 8.240 nan 0.000 0.480 320 I N 2.621 123.216 120.570 0.042 0.000 2.359 320 I HA 0.415 4.586 4.170 0.001 0.000 0.294 320 I C -2.647 173.499 176.117 0.048 0.000 0.987 320 I CA -3.091 58.244 61.300 0.059 0.000 1.225 320 I CB 1.761 39.806 38.000 0.076 0.000 1.366 320 I HN -0.121 nan 8.210 nan 0.000 0.466 321 P HA 0.030 nan 4.420 nan 0.000 0.264 321 P C -1.935 175.377 177.300 0.019 0.000 1.193 321 P CA -0.899 62.213 63.100 0.020 0.000 0.763 321 P CB 0.130 31.833 31.700 0.006 0.000 0.810 322 P HA -0.190 nan 4.420 nan 0.000 0.216 322 P C 1.093 178.386 177.300 -0.011 0.000 1.150 322 P CA 1.853 64.952 63.100 -0.001 0.000 0.837 322 P CB -0.454 31.236 31.700 -0.015 0.000 0.786 323 T N 0.174 114.714 114.554 -0.022 0.000 2.699 323 T HA -0.168 4.183 4.350 0.001 0.000 0.268 323 T C 1.408 176.071 174.700 -0.061 0.000 1.036 323 T CA 1.937 64.014 62.100 -0.038 0.000 1.147 323 T CB -0.866 67.979 68.868 -0.038 0.000 0.862 323 T HN 0.155 nan 8.240 nan 0.000 0.446 324 D N 0.667 121.029 120.400 -0.063 0.000 2.123 324 D HA 0.094 4.735 4.640 0.001 0.000 0.200 324 D C 2.093 178.350 176.300 -0.072 0.000 0.976 324 D CA 0.459 54.374 54.000 -0.141 0.000 0.831 324 D CB -0.378 40.365 40.800 -0.095 0.000 0.974 324 D HN 0.331 nan 8.370 nan 0.000 0.469 325 I N 0.993 121.614 120.570 0.084 0.000 2.423 325 I HA -0.268 3.903 4.170 0.001 0.000 0.254 325 I C 2.269 178.475 176.117 0.148 0.000 1.151 325 I CA 0.907 62.323 61.300 0.193 0.000 1.421 325 I CB 0.038 38.111 38.000 0.121 0.000 1.079 325 I HN -0.011 nan 8.210 nan 0.000 0.431 326 Q N -0.005 119.820 119.800 0.042 0.000 2.049 326 Q HA -0.173 4.168 4.340 0.001 0.000 0.198 326 Q C 2.263 178.298 176.000 0.059 0.000 0.971 326 Q CA 1.292 57.115 55.803 0.034 0.000 0.833 326 Q CB -0.696 28.028 28.738 -0.023 0.000 0.896 326 Q HN 0.435 nan 8.270 nan 0.000 0.434 327 L N 0.157 121.343 121.223 -0.063 0.000 1.997 327 L HA -0.252 4.089 4.340 0.001 0.000 0.216 327 L C 2.159 178.957 176.870 -0.121 0.000 1.074 327 L CA 1.841 56.588 54.840 -0.155 0.000 0.763 327 L CB -0.760 41.109 42.059 -0.316 0.000 0.890 327 L HN 0.100 nan 8.230 nan 0.000 0.434 328 Y N -1.543 118.792 120.300 0.057 0.000 2.181 328 Y HA -0.286 4.266 4.550 0.003 0.000 0.288 328 Y C 2.502 178.457 175.900 0.092 0.000 1.146 328 Y CA 2.054 60.194 58.100 0.066 0.000 1.164 328 Y CB -1.209 37.289 38.460 0.063 0.000 0.982 328 Y HN 0.354 nan 8.280 nan 0.000 0.515 329 Y N 0.695 121.089 120.300 0.156 0.000 2.128 329 Y HA -0.338 4.213 4.550 0.001 0.000 0.284 329 Y C 2.678 178.615 175.900 0.061 0.000 1.154 329 Y CA 2.197 60.360 58.100 0.104 0.000 1.149 329 Y CB -0.505 38.007 38.460 0.087 0.000 0.976 329 Y HN 0.169 nan 8.280 nan 0.000 0.505 330 Q N -0.627 119.318 119.800 0.241 0.000 2.002 330 Q HA -0.212 4.128 4.340 0.001 0.000 0.204 330 Q C 2.167 178.165 176.000 -0.003 0.000 0.988 330 Q CA 2.707 58.579 55.803 0.116 0.000 0.843 330 Q CB -0.311 28.476 28.738 0.081 0.000 0.908 330 Q HN 0.460 nan 8.270 nan 0.000 0.420 331 T N 1.271 115.826 114.554 0.002 0.000 2.759 331 T HA -0.143 4.208 4.350 0.001 0.000 0.269 331 T C 1.688 176.383 174.700 -0.008 0.000 1.042 331 T CA 1.142 63.236 62.100 -0.009 0.000 1.140 331 T CB -0.124 68.759 68.868 0.026 0.000 0.864 331 T HN 0.236 nan 8.240 nan 0.000 0.455 332 L N 0.271 121.483 121.223 -0.018 0.000 2.095 332 L HA 0.033 4.374 4.340 0.001 0.000 0.204 332 L C 2.543 179.348 176.870 -0.107 0.000 1.080 332 L CA 0.517 55.328 54.840 -0.048 0.000 0.759 332 L CB -0.624 41.402 42.059 -0.054 0.000 0.914 332 L HN 0.243 nan 8.230 nan 0.000 0.439 333 L N 0.870 121.973 121.223 -0.199 0.000 1.971 333 L HA -0.271 4.070 4.340 0.001 0.000 0.215 333 L C 2.570 179.390 176.870 -0.084 0.000 1.072 333 L CA 2.122 56.845 54.840 -0.195 0.000 0.758 333 L CB -0.719 41.205 42.059 -0.224 0.000 0.889 333 L HN 0.186 nan 8.230 nan 0.000 0.433 334 I N -0.053 120.479 120.570 -0.063 0.000 2.113 334 I HA -0.326 3.844 4.170 0.001 0.000 0.242 334 I C 2.599 178.695 176.117 -0.035 0.000 1.064 334 I CA 1.583 62.857 61.300 -0.044 0.000 1.320 334 I CB -1.118 36.851 38.000 -0.052 0.000 1.028 334 I HN 0.411 nan 8.210 nan 0.000 0.406 335 G N 0.423 109.203 108.800 -0.033 0.000 2.503 335 G HA2 -0.325 3.636 3.960 0.001 0.000 0.221 335 G HA3 -0.325 3.636 3.960 0.001 0.000 0.221 335 G C 1.783 176.683 174.900 -0.001 0.000 1.131 335 G CA 0.995 46.084 45.100 -0.017 0.000 0.756 335 G HN 0.351 nan 8.290 nan 0.000 0.572 336 R N 1.123 121.619 120.500 -0.007 0.000 2.092 336 R HA -0.080 4.261 4.340 0.001 0.000 0.231 336 R C 2.593 178.916 176.300 0.038 0.000 1.119 336 R CA 1.790 57.898 56.100 0.014 0.000 0.970 336 R CB -0.217 30.079 30.300 -0.007 0.000 0.864 336 R HN 0.528 nan 8.270 nan 0.000 0.440 337 K N 0.409 120.830 120.400 0.036 0.000 2.025 337 K HA -0.111 4.210 4.320 0.001 0.000 0.207 337 K C 1.411 178.108 176.600 0.162 0.000 1.049 337 K CA 1.820 58.154 56.287 0.080 0.000 0.933 337 K CB -0.154 32.384 32.500 0.063 0.000 0.714 337 K HN 0.181 nan 8.250 nan 0.000 0.438 338 E N 0.620 120.881 120.200 0.100 0.000 2.478 338 E HA -0.098 4.253 4.350 0.001 0.000 0.198 338 E C 1.808 178.519 176.600 0.185 0.000 1.046 338 E CA 0.231 56.706 56.400 0.126 0.000 0.870 338 E CB -0.085 29.540 29.700 -0.126 0.000 0.818 338 E HN 0.209 nan 8.360 nan 0.000 0.527 339 L N 2.056 123.347 121.223 0.114 0.000 2.051 339 L HA -0.173 4.168 4.340 0.001 0.000 0.214 339 L C -0.689 176.235 176.870 0.091 0.000 1.076 339 L CA 2.051 56.940 54.840 0.080 0.000 0.758 339 L CB -0.781 41.318 42.059 0.066 0.000 0.890 339 L HN 0.127 nan 8.230 nan 0.000 0.433 340 P HA -0.098 nan 4.420 nan 0.000 0.255 340 P C 1.032 178.364 177.300 0.053 0.000 1.248 340 P CA 0.911 64.043 63.100 0.053 0.000 0.807 340 P CB 0.000 31.707 31.700 0.010 0.000 1.150 341 Y N 1.195 121.493 120.300 -0.003 0.000 2.337 341 Y HA 0.170 4.721 4.550 0.001 0.000 0.293 341 Y C 1.754 177.648 175.900 -0.011 0.000 1.123 341 Y CA 0.293 58.390 58.100 -0.005 0.000 1.201 341 Y CB -0.484 37.972 38.460 -0.006 0.000 1.011 341 Y HN -0.097 nan 8.280 nan 0.000 0.545 342 A N 1.778 124.689 122.820 0.152 0.000 2.477 342 A HA 0.066 4.387 4.320 0.001 0.000 0.246 342 A C -1.089 176.515 177.584 0.033 0.000 1.078 342 A CA -0.944 51.129 52.037 0.060 0.000 0.770 342 A CB -0.299 18.707 19.000 0.011 0.000 1.011 342 A HN 0.218 nan 8.150 nan 0.000 0.494 343 P HA -0.120 nan 4.420 nan 0.000 0.218 343 P C 0.010 177.308 177.300 -0.003 0.000 1.146 343 P CA 1.525 64.629 63.100 0.007 0.000 0.813 343 P CB 0.173 31.872 31.700 -0.001 0.000 0.778 344 D N -1.883 118.504 120.400 -0.023 0.000 2.927 344 D HA 0.141 4.781 4.640 0.001 0.000 0.219 344 D C 0.846 177.096 176.300 -0.084 0.000 1.248 344 D CA -0.678 53.299 54.000 -0.038 0.000 0.861 344 D CB 1.441 42.209 40.800 -0.052 0.000 1.677 344 D HN -0.303 nan 8.370 nan 0.000 0.511 345 R N 1.377 121.839 120.500 -0.064 0.000 2.127 345 R HA -0.125 4.216 4.340 0.001 0.000 0.238 345 R C 2.122 178.145 176.300 -0.462 0.000 1.134 345 R CA 1.257 57.291 56.100 -0.111 0.000 0.975 345 R CB 0.099 30.459 30.300 0.100 0.000 0.865 345 R HN 0.393 nan 8.270 nan 0.000 0.447 346 R N 0.738 120.804 120.500 -0.722 0.000 2.073 346 R HA -0.048 4.293 4.340 0.001 0.000 0.229 346 R C 2.192 178.115 176.300 -0.629 0.000 1.120 346 R CA 1.282 56.655 56.100 -1.212 0.000 0.967 346 R CB -0.176 29.567 30.300 -0.928 0.000 0.862 346 R HN 0.167 nan 8.270 nan 0.000 0.436 347 M N 0.420 119.812 119.600 -0.346 0.000 2.358 347 M HA -0.052 4.429 4.480 0.001 0.000 0.264 347 M C 1.678 177.871 176.300 -0.179 0.000 1.064 347 M CA 1.828 57.002 55.300 -0.210 0.000 1.093 347 M CB -0.137 32.388 32.600 -0.125 0.000 1.401 347 M HN 0.359 nan 8.290 nan 0.000 0.440 348 G N -0.305 108.378 108.800 -0.195 0.000 2.404 348 G HA2 -0.138 3.822 3.960 0.001 0.000 0.215 348 G HA3 -0.138 3.822 3.960 0.001 0.000 0.215 348 G C 1.269 176.091 174.900 -0.129 0.000 1.174 348 G CA 0.796 45.824 45.100 -0.120 0.000 0.780 348 G HN 0.371 nan 8.290 nan 0.000 0.537 349 V N 0.910 120.691 119.914 -0.222 0.000 2.515 349 V HA -0.146 3.975 4.120 0.001 0.000 0.250 349 V C 2.660 178.675 176.094 -0.132 0.000 1.058 349 V CA 2.069 64.271 62.300 -0.164 0.000 1.064 349 V CB -0.404 31.277 31.823 -0.236 0.000 0.675 349 V HN 0.481 nan 8.190 nan 0.000 0.461 350 E N -0.560 119.529 120.200 -0.185 0.000 2.072 350 E HA -0.164 4.187 4.350 0.001 0.000 0.191 350 E C 2.330 178.896 176.600 -0.058 0.000 0.985 350 E CA 1.120 57.454 56.400 -0.111 0.000 0.801 350 E CB -0.193 29.430 29.700 -0.128 0.000 0.750 350 E HN 0.435 nan 8.360 nan 0.000 0.452 351 M N 0.735 120.298 119.600 -0.062 0.000 2.082 351 M HA -0.161 4.320 4.480 0.001 0.000 0.258 351 M C 2.366 178.667 176.300 0.002 0.000 1.069 351 M CA 1.632 56.915 55.300 -0.028 0.000 1.102 351 M CB -1.146 31.434 32.600 -0.034 0.000 1.336 351 M HN 0.142 nan 8.290 nan 0.000 0.404 352 T N 1.540 116.093 114.554 -0.003 0.000 2.668 352 T HA -0.069 4.281 4.350 0.001 0.000 0.262 352 T C 2.024 176.759 174.700 0.058 0.000 1.045 352 T CA 1.148 63.264 62.100 0.027 0.000 1.152 352 T CB -0.516 68.362 68.868 0.016 0.000 0.864 352 T HN 0.316 nan 8.240 nan 0.000 0.419 353 L N 0.620 121.871 121.223 0.045 0.000 2.083 353 L HA -0.023 4.317 4.340 0.001 0.000 0.209 353 L C 2.589 179.505 176.870 0.077 0.000 1.083 353 L CA 1.113 55.993 54.840 0.068 0.000 0.752 353 L CB -0.833 41.255 42.059 0.049 0.000 0.899 353 L HN 0.247 nan 8.230 nan 0.000 0.433 354 L N -0.330 120.922 121.223 0.049 0.000 2.201 354 L HA -0.182 4.159 4.340 0.001 0.000 0.212 354 L C 2.806 179.720 176.870 0.073 0.000 1.105 354 L CA 0.777 55.644 54.840 0.044 0.000 0.775 354 L CB -0.407 41.660 42.059 0.013 0.000 0.913 354 L HN 0.249 nan 8.230 nan 0.000 0.440 355 R N 0.781 121.343 120.500 0.103 0.000 2.075 355 R HA -0.099 4.242 4.340 0.001 0.000 0.232 355 R C 2.165 178.622 176.300 0.261 0.000 1.126 355 R CA 1.648 57.857 56.100 0.182 0.000 0.963 355 R CB -0.474 29.933 30.300 0.178 0.000 0.858 355 R HN 0.283 nan 8.270 nan 0.000 0.435 356 A N -0.360 122.601 122.820 0.234 0.000 2.066 356 A HA 0.011 4.332 4.320 0.001 0.000 0.218 356 A C 1.765 179.569 177.584 0.367 0.000 1.157 356 A CA 0.724 52.954 52.037 0.321 0.000 0.670 356 A CB -0.263 18.973 19.000 0.394 0.000 0.804 356 A HN 0.261 nan 8.150 nan 0.000 0.453 357 L N -0.717 120.658 121.223 0.253 0.000 2.095 357 L HA 0.038 4.379 4.340 0.001 0.000 0.204 357 L C 2.850 179.814 176.870 0.157 0.000 1.080 357 L CA 1.762 56.728 54.840 0.210 0.000 0.759 357 L CB -1.053 41.065 42.059 0.097 0.000 0.914 357 L HN 0.369 nan 8.230 nan 0.000 0.439 358 A N -1.115 121.741 122.820 0.061 0.000 1.840 358 A HA -0.124 4.197 4.320 0.001 0.000 0.214 358 A C 1.444 178.972 177.584 -0.093 0.000 1.198 358 A CA 0.828 52.808 52.037 -0.094 0.000 0.608 358 A CB -1.012 17.825 19.000 -0.272 0.000 0.839 358 A HN 0.273 nan 8.150 nan 0.000 0.443 359 F N 0.538 120.529 119.950 0.068 0.000 2.668 359 F HA 0.146 4.674 4.527 0.001 0.000 0.365 359 F C 0.507 176.316 175.800 0.015 0.000 1.165 359 F CA 0.212 58.227 58.000 0.025 0.000 1.344 359 F CB -0.573 38.419 39.000 -0.014 0.000 1.658 359 F HN 0.331 nan 8.300 nan 0.000 0.620 360 H N 2.261 121.397 119.070 0.110 0.000 2.638 360 H HA 0.275 4.832 4.556 0.001 0.000 0.317 360 H C -2.322 173.046 175.328 0.066 0.000 1.006 360 H CA -2.458 53.650 56.048 0.100 0.000 1.222 360 H CB 1.142 30.985 29.762 0.135 0.000 1.419 360 H HN -0.027 nan 8.280 nan 0.000 0.489 361 P HA 0.053 nan 4.420 nan 0.000 0.270 361 P C -0.618 176.898 177.300 0.360 0.000 1.242 361 P CA 0.052 63.261 63.100 0.182 0.000 0.768 361 P CB 0.568 32.299 31.700 0.052 0.000 0.820 362 R N 0.373 120.995 120.500 0.202 0.000 3.390 362 R HA -0.095 4.245 4.340 0.001 0.000 0.280 362 R C 0.128 176.452 176.300 0.041 0.000 1.126 362 R CA 0.338 56.511 56.100 0.122 0.000 0.757 362 R CB -1.974 28.398 30.300 0.120 0.000 1.296 362 R HN 0.559 nan 8.270 nan 0.000 0.431 363 M N 0.281 119.904 119.600 0.038 0.000 2.812 363 M HA 0.484 4.965 4.480 0.001 0.000 0.285 363 M C -1.934 174.342 176.300 -0.041 0.000 1.216 363 M CA -2.158 53.104 55.300 -0.065 0.000 0.749 363 M CB 1.538 34.133 32.600 -0.007 0.000 1.756 363 M HN -0.157 nan 8.290 nan 0.000 0.439 364 P HA -0.096 nan 4.420 nan 0.000 0.261 364 P C -1.661 175.603 177.300 -0.060 0.000 1.140 364 P CA 0.990 64.056 63.100 -0.056 0.000 0.757 364 P CB -0.029 31.636 31.700 -0.060 0.000 0.735 365 L N 4.693 125.885 121.223 -0.051 0.000 2.303 365 L HA 0.614 4.954 4.340 0.001 0.000 0.266 365 L C -1.461 175.381 176.870 -0.047 0.000 1.011 365 L CA -2.078 52.733 54.840 -0.048 0.000 0.818 365 L CB 1.702 43.742 42.059 -0.032 0.000 1.326 365 L HN 0.384 nan 8.230 nan 0.000 0.435 366 P HA 0.566 nan 4.420 nan 0.000 0.283 366 P C -1.402 175.882 177.300 -0.027 0.000 1.271 366 P CA -0.498 62.579 63.100 -0.038 0.000 0.841 366 P CB 2.183 33.859 31.700 -0.041 0.000 1.122 367 E N -0.520 119.666 120.200 -0.024 0.000 2.447 367 E HA 0.379 4.730 4.350 0.001 0.000 0.279 367 E C -2.018 174.572 176.600 -0.016 0.000 1.053 367 E CA -1.200 55.188 56.400 -0.018 0.000 0.840 367 E CB 0.654 30.343 29.700 -0.018 0.000 1.409 367 E HN 0.575 nan 8.360 nan 0.000 0.461 368 P HA 0.000 nan 4.420 nan 0.000 0.216 368 P CA 0.000 63.093 63.100 -0.011 0.000 0.800 368 P CB 0.000 31.695 31.700 -0.009 0.000 0.726