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 2jer_1_G DATA FIRST_RESID 2 DATA SEQUENCE AKRIVGSTPK QDGFRMPGEF EPQEKVWMIW PERPDNWRDG GKPVQEAFTN DATA SEQUENCE VAKAISQFTP MNVVVSQQQF QNCRRQLPPE ITVYEMSNND AWVRDCGPSF DATA SEQUENCE VINDHGEIRG VDWTFNAWGG LVDGLYFPWD QDDLVAQKIC EIEHVDSYRT DATA SEQUENCE DDFVLEGGSF HVDGQGTVLT TEMCLLSEGR NPQLSKEAIE QKLCDYLNVE DATA SEQUENCE KVLWLGDGID PEETNGHVDD VACFIAPGEV ACIYTEDQNS PFYEAAQDAY DATA SEQUENCE QRLLKMTDAK GRQLKVHKLC CPVKNVTIKG SFKIDFVEGT MPREDGDICI DATA SEQUENCE ASYMNFLITN DGVIVPQYGD ENDRLALEQV QTMFPDKKIV GVNTVEVVYG DATA SEQUENCE GGNIHXITQQ EPKRVG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.530 177.584 -0.090 0.000 1.274 2 A CA 0.000 51.979 52.037 -0.097 0.000 0.836 2 A CB 0.000 18.959 19.000 -0.069 0.000 0.831 3 K N 0.486 120.828 120.400 -0.096 0.000 2.281 3 K HA 0.810 5.130 4.320 0.000 0.000 0.242 3 K C -0.655 175.863 176.600 -0.136 0.000 0.971 3 K CA -0.963 55.262 56.287 -0.104 0.000 0.834 3 K CB 1.336 33.778 32.500 -0.097 0.000 1.181 3 K HN 0.512 nan 8.250 nan 0.000 0.435 4 R N 1.574 121.996 120.500 -0.130 0.000 2.390 4 R HA 0.293 4.633 4.340 0.000 0.000 0.291 4 R C -0.073 176.101 176.300 -0.209 0.000 1.070 4 R CA -0.673 55.330 56.100 -0.162 0.000 1.014 4 R CB 0.313 30.548 30.300 -0.108 0.000 1.007 4 R HN 0.637 nan 8.270 nan 0.000 0.466 5 I N 4.375 124.738 120.570 -0.346 0.000 2.312 5 I HA 0.152 4.322 4.170 0.000 0.000 0.291 5 I C 0.585 176.576 176.117 -0.209 0.000 1.031 5 I CA -0.555 60.502 61.300 -0.405 0.000 1.293 5 I CB 0.751 38.198 38.000 -0.921 0.000 1.403 5 I HN 0.239 nan 8.210 nan 0.000 0.484 6 V N 2.093 121.949 119.914 -0.097 0.000 2.769 6 V HA 0.956 5.076 4.120 0.000 0.000 0.312 6 V C 0.774 176.877 176.094 0.016 0.000 1.061 6 V CA -0.180 62.112 62.300 -0.013 0.000 0.931 6 V CB 1.349 33.162 31.823 -0.017 0.000 1.010 6 V HN 1.008 nan 8.190 nan 0.000 0.433 7 G N 2.109 110.937 108.800 0.047 0.000 2.162 7 G HA2 -0.120 3.840 3.960 0.000 0.000 0.260 7 G HA3 -0.120 3.840 3.960 0.000 0.000 0.260 7 G C 0.248 175.176 174.900 0.045 0.000 0.976 7 G CA 0.936 46.060 45.100 0.039 0.000 0.655 7 G HN 2.219 nan 8.290 nan 0.000 0.533 8 S N -1.550 114.200 115.700 0.083 0.000 2.671 8 S HA 0.897 5.367 4.470 0.000 0.000 0.277 8 S C -0.496 174.158 174.600 0.089 0.000 1.165 8 S CA 0.466 58.714 58.200 0.079 0.000 0.822 8 S CB 2.423 65.682 63.200 0.098 0.000 1.150 8 S HN 1.671 nan 8.310 nan 0.000 0.479 9 T N -2.497 111.987 114.554 -0.116 0.000 2.916 9 T HA 0.673 5.023 4.350 0.000 0.000 0.292 9 T C -2.546 171.802 174.700 -0.587 0.000 1.064 9 T CA -2.068 59.682 62.100 -0.585 0.000 1.011 9 T CB 1.229 69.662 68.868 -0.726 0.000 1.152 9 T HN 0.271 nan 8.240 nan 0.000 0.510 10 P HA -0.138 nan 4.420 nan 0.000 0.216 10 P C 1.519 178.737 177.300 -0.136 0.000 1.157 10 P CA 1.283 64.091 63.100 -0.488 0.000 0.880 10 P CB 0.108 31.535 31.700 -0.454 0.000 0.791 11 K N -0.015 120.259 120.400 -0.210 0.000 2.063 11 K HA -0.255 4.065 4.320 0.000 0.000 0.208 11 K C 2.323 178.896 176.600 -0.046 0.000 1.048 11 K CA 1.710 57.937 56.287 -0.101 0.000 0.928 11 K CB -0.383 32.039 32.500 -0.130 0.000 0.713 11 K HN 0.064 nan 8.250 nan 0.000 0.442 12 Q N 0.023 119.781 119.800 -0.070 0.000 2.167 12 Q HA -0.149 4.191 4.340 0.000 0.000 0.202 12 Q C 0.495 176.528 176.000 0.055 0.000 0.970 12 Q CA 1.711 57.504 55.803 -0.016 0.000 0.855 12 Q CB 0.212 28.929 28.738 -0.035 0.000 0.911 12 Q HN 0.322 nan 8.270 nan 0.000 0.438 13 D N -1.108 119.366 120.400 0.123 0.000 2.339 13 D HA 0.129 4.769 4.640 0.000 0.000 0.217 13 D C 0.625 177.134 176.300 0.349 0.000 1.050 13 D CA 0.844 55.006 54.000 0.269 0.000 0.856 13 D CB 0.595 41.615 40.800 0.367 0.000 0.922 13 D HN 0.465 nan 8.370 nan 0.000 0.518 14 G N 0.668 109.587 108.800 0.199 0.000 2.147 14 G HA2 -0.278 3.682 3.960 0.000 0.000 0.244 14 G HA3 -0.278 3.682 3.960 0.000 0.000 0.244 14 G C -0.075 174.806 174.900 -0.032 0.000 1.005 14 G CA -0.293 44.847 45.100 0.067 0.000 0.713 14 G HN 0.217 nan 8.290 nan 0.000 0.515 15 F N 0.377 120.342 119.950 0.025 0.000 2.458 15 F HA 0.804 5.331 4.527 0.000 0.000 0.330 15 F C 0.942 176.738 175.800 -0.007 0.000 1.082 15 F CA -0.773 57.247 58.000 0.034 0.000 0.995 15 F CB 1.506 40.550 39.000 0.073 0.000 1.170 15 F HN 0.346 nan 8.300 nan 0.000 0.478 16 R N 2.330 122.932 120.500 0.170 0.000 2.698 16 R HA 0.590 4.930 4.340 0.000 0.000 0.275 16 R C -1.388 174.988 176.300 0.127 0.000 1.001 16 R CA -0.975 55.182 56.100 0.095 0.000 0.896 16 R CB 1.958 32.280 30.300 0.037 0.000 1.218 16 R HN 0.769 nan 8.270 nan 0.000 0.462 17 M N 4.234 123.904 119.600 0.117 0.000 2.194 17 M HA 0.256 4.736 4.480 0.000 0.000 0.347 17 M C -2.118 174.236 176.300 0.091 0.000 1.439 17 M CA -1.546 53.844 55.300 0.150 0.000 1.131 17 M CB 0.917 33.643 32.600 0.210 0.000 1.733 17 M HN 0.488 nan 8.290 nan 0.000 0.467 18 P HA 0.228 nan 4.420 nan 0.000 0.276 18 P C -0.188 177.046 177.300 -0.110 0.000 1.244 18 P CA -0.262 62.828 63.100 -0.016 0.000 0.801 18 P CB 0.339 32.038 31.700 -0.003 0.000 1.006 19 G N 0.387 108.983 108.800 -0.340 0.000 2.554 19 G HA2 -0.064 3.896 3.960 0.000 0.000 0.238 19 G HA3 -0.064 3.896 3.960 0.000 0.000 0.238 19 G C 0.788 175.305 174.900 -0.639 0.000 1.259 19 G CA -0.224 44.408 45.100 -0.778 0.000 0.843 19 G HN 0.643 nan 8.290 nan 0.000 0.582 20 E N 0.657 120.606 120.200 -0.419 0.000 2.268 20 E HA -0.134 4.216 4.350 0.000 0.000 0.195 20 E C 1.682 178.240 176.600 -0.070 0.000 0.995 20 E CA 0.968 57.315 56.400 -0.088 0.000 0.836 20 E CB -0.120 29.661 29.700 0.134 0.000 0.763 20 E HN 0.640 nan 8.360 nan 0.000 0.491 21 F N 0.228 120.265 119.950 0.145 0.000 2.811 21 F HA 0.324 4.851 4.527 0.000 0.000 0.301 21 F C 0.370 176.224 175.800 0.090 0.000 1.151 21 F CA -0.359 57.716 58.000 0.125 0.000 1.412 21 F CB -0.370 38.751 39.000 0.201 0.000 1.113 21 F HN -0.238 nan 8.300 nan 0.000 0.579 22 E N 2.156 122.335 120.200 -0.035 0.000 2.349 22 E HA 0.220 4.570 4.350 0.000 0.000 0.262 22 E C -2.302 174.327 176.600 0.049 0.000 1.088 22 E CA -2.135 54.294 56.400 0.049 0.000 0.899 22 E CB 0.102 29.782 29.700 -0.033 0.000 1.044 22 E HN -0.021 nan 8.360 nan 0.000 0.420 23 P HA -0.069 nan 4.420 nan 0.000 0.265 23 P C -1.114 176.206 177.300 0.032 0.000 1.187 23 P CA 0.628 63.755 63.100 0.045 0.000 0.766 23 P CB 0.400 32.124 31.700 0.040 0.000 0.820 24 Q N 0.975 120.794 119.800 0.031 0.000 2.337 24 Q HA 0.208 4.548 4.340 0.000 0.000 0.266 24 Q C 0.735 176.740 176.000 0.009 0.000 1.023 24 Q CA -0.574 55.243 55.803 0.024 0.000 0.829 24 Q CB 2.290 31.052 28.738 0.039 0.000 1.306 24 Q HN 0.470 nan 8.270 nan 0.000 0.449 25 E N 1.800 121.992 120.200 -0.013 0.000 2.086 25 E HA -0.012 4.338 4.350 0.000 0.000 0.190 25 E C -0.394 176.182 176.600 -0.040 0.000 0.975 25 E CA 1.049 57.433 56.400 -0.026 0.000 0.813 25 E CB 0.586 30.260 29.700 -0.043 0.000 0.768 25 E HN 0.344 nan 8.360 nan 0.000 0.457 26 K N -0.686 119.685 120.400 -0.048 0.000 2.579 26 K HA 0.432 4.752 4.320 0.000 0.000 0.284 26 K C -1.653 174.890 176.600 -0.094 0.000 0.990 26 K CA -0.772 55.443 56.287 -0.120 0.000 0.880 26 K CB 2.771 35.144 32.500 -0.211 0.000 1.488 26 K HN -0.177 nan 8.250 nan 0.000 0.425 27 V N 0.652 120.447 119.914 -0.198 0.000 2.823 27 V HA 0.532 4.652 4.120 0.000 0.000 0.312 27 V C -1.467 174.454 176.094 -0.289 0.000 1.072 27 V CA -0.840 61.407 62.300 -0.089 0.000 0.937 27 V CB 1.585 33.409 31.823 0.002 0.000 1.013 27 V HN 0.674 nan 8.190 nan 0.000 0.430 28 W N 3.285 124.646 121.300 0.101 0.000 2.706 28 W HA 0.870 5.530 4.660 0.000 0.000 0.346 28 W C -0.152 176.426 176.519 0.098 0.000 1.071 28 W CA -0.487 56.925 57.345 0.111 0.000 1.206 28 W CB 1.756 31.290 29.460 0.123 0.000 1.413 28 W HN 0.489 nan 8.180 nan 0.000 0.542 29 M N 2.674 122.496 119.600 0.371 0.000 2.471 29 M HA 0.524 5.004 4.480 0.000 0.000 0.284 29 M C -2.151 174.344 176.300 0.325 0.000 1.203 29 M CA -0.457 55.010 55.300 0.278 0.000 0.915 29 M CB 1.673 34.397 32.600 0.207 0.000 1.734 29 M HN 0.439 nan 8.290 nan 0.000 0.485 30 I N 2.879 123.628 120.570 0.299 0.000 2.437 30 I HA 0.314 4.484 4.170 0.000 0.000 0.298 30 I C -0.781 175.497 176.117 0.268 0.000 0.984 30 I CA -0.468 60.994 61.300 0.270 0.000 1.214 30 I CB 1.418 39.532 38.000 0.189 0.000 1.365 30 I HN 0.662 nan 8.210 nan 0.000 0.469 31 W N 8.572 129.866 121.300 -0.009 0.000 2.304 31 W HA 0.265 4.925 4.660 0.000 0.000 0.313 31 W C -2.435 173.859 176.519 -0.375 0.000 1.323 31 W CA -1.468 55.762 57.345 -0.192 0.000 1.223 31 W CB 1.235 30.626 29.460 -0.114 0.000 1.237 31 W HN 0.244 nan 8.180 nan 0.000 0.535 32 P HA 0.138 nan 4.420 nan 0.000 0.286 32 P C -0.498 176.269 177.300 -0.888 0.000 1.261 32 P CA 0.275 62.669 63.100 -1.177 0.000 0.821 32 P CB 1.813 32.185 31.700 -2.214 0.000 1.013 33 E N 0.895 120.859 120.200 -0.394 0.000 2.410 33 E HA 0.011 4.361 4.350 0.000 0.000 0.188 33 E C 0.072 176.742 176.600 0.116 0.000 0.980 33 E CA -0.465 55.848 56.400 -0.145 0.000 1.513 33 E CB -0.316 29.359 29.700 -0.041 0.000 2.654 33 E HN 0.379 nan 8.360 nan 0.000 1.016 34 R N 2.938 123.594 120.500 0.260 0.000 2.484 34 R HA 0.187 4.527 4.340 0.000 0.000 0.293 34 R C -1.741 174.664 176.300 0.175 0.000 1.023 34 R CA -0.754 55.448 56.100 0.169 0.000 1.037 34 R CB 0.241 30.589 30.300 0.081 0.000 0.951 34 R HN -0.051 nan 8.270 nan 0.000 0.418 35 P HA -0.091 nan 4.420 nan 0.000 0.241 35 P C -0.220 177.115 177.300 0.059 0.000 1.191 35 P CA 0.697 63.852 63.100 0.091 0.000 0.771 35 P CB 0.166 31.906 31.700 0.066 0.000 0.929 36 D N -1.464 118.952 120.400 0.026 0.000 2.328 36 D HA -0.036 4.604 4.640 0.000 0.000 0.226 36 D C 1.208 177.485 176.300 -0.039 0.000 1.066 36 D CA 0.020 54.020 54.000 0.001 0.000 0.861 36 D CB -0.848 39.938 40.800 -0.023 0.000 0.912 36 D HN 0.258 nan 8.370 nan 0.000 0.521 37 N N -1.278 117.358 118.700 -0.106 0.000 2.677 37 N HA 0.038 4.778 4.740 0.000 0.000 0.242 37 N C -0.569 174.734 175.510 -0.346 0.000 1.044 37 N CA -0.336 52.519 53.050 -0.325 0.000 0.934 37 N CB 0.498 38.634 38.487 -0.585 0.000 1.595 37 N HN -0.019 nan 8.380 nan 0.000 0.459 38 W N 4.033 125.368 121.300 0.057 0.000 2.361 38 W HA 0.387 5.047 4.660 0.000 0.000 0.309 38 W C 0.230 176.738 176.519 -0.019 0.000 1.122 38 W CA -1.059 56.295 57.345 0.015 0.000 1.208 38 W CB 0.776 30.195 29.460 -0.068 0.000 1.246 38 W HN 0.042 nan 8.180 nan 0.000 0.490 39 R N 2.634 123.247 120.500 0.189 0.000 2.734 39 R HA 0.029 4.369 4.340 0.000 0.000 0.266 39 R C -0.301 176.018 176.300 0.031 0.000 1.044 39 R CA -0.022 56.100 56.100 0.037 0.000 1.128 39 R CB 0.357 30.552 30.300 -0.176 0.000 1.010 39 R HN 0.639 nan 8.270 nan 0.000 0.461 40 D N 1.011 121.421 120.400 0.016 0.000 2.772 40 D HA -0.151 4.489 4.640 0.000 0.000 0.233 40 D C 0.805 177.114 176.300 0.016 0.000 1.143 40 D CA 1.861 55.866 54.000 0.009 0.000 0.700 40 D CB -1.469 39.319 40.800 -0.019 0.000 1.076 40 D HN 1.037 nan 8.370 nan 0.000 0.430 41 G N -1.142 107.683 108.800 0.041 0.000 2.258 41 G HA2 -0.002 3.958 3.960 0.000 0.000 0.274 41 G HA3 -0.002 3.958 3.960 0.000 0.000 0.274 41 G C 1.286 176.185 174.900 -0.000 0.000 1.021 41 G CA 1.149 46.272 45.100 0.038 0.000 0.798 41 G HN 1.673 nan 8.290 nan 0.000 0.507 42 G N -1.255 107.544 108.800 -0.002 0.000 2.159 42 G HA2 -0.309 3.651 3.960 0.000 0.000 0.256 42 G HA3 -0.309 3.651 3.960 0.000 0.000 0.256 42 G C 1.367 176.120 174.900 -0.244 0.000 0.977 42 G CA 1.276 46.278 45.100 -0.164 0.000 0.652 42 G HN 0.760 nan 8.290 nan 0.000 0.531 43 K N 0.588 120.914 120.400 -0.124 0.000 2.009 43 K HA -0.055 4.265 4.320 0.000 0.000 0.210 43 K C 0.088 176.606 176.600 -0.136 0.000 1.049 43 K CA 1.957 58.176 56.287 -0.113 0.000 0.929 43 K CB -1.326 31.147 32.500 -0.044 0.000 0.714 43 K HN 0.404 nan 8.250 nan 0.000 0.440 44 P HA -0.109 nan 4.420 nan 0.000 0.216 44 P C 1.778 178.995 177.300 -0.138 0.000 1.153 44 P CA 0.722 63.774 63.100 -0.080 0.000 0.848 44 P CB 0.038 31.716 31.700 -0.036 0.000 0.787 45 V N -0.450 119.325 119.914 -0.233 0.000 2.515 45 V HA -0.263 3.857 4.120 0.000 0.000 0.250 45 V C 2.206 177.967 176.094 -0.556 0.000 1.058 45 V CA 1.884 63.946 62.300 -0.396 0.000 1.064 45 V CB -0.965 30.401 31.823 -0.762 0.000 0.675 45 V HN 0.102 nan 8.190 nan 0.000 0.461 46 Q N -0.425 118.970 119.800 -0.676 0.000 2.124 46 Q HA -0.265 4.075 4.340 0.000 0.000 0.202 46 Q C 2.221 177.982 176.000 -0.398 0.000 0.977 46 Q CA 2.062 57.334 55.803 -0.885 0.000 0.850 46 Q CB -0.166 28.051 28.738 -0.868 0.000 0.901 46 Q HN 0.781 nan 8.270 nan 0.000 0.429 47 E N 0.346 120.430 120.200 -0.194 0.000 2.077 47 E HA -0.215 4.135 4.350 0.000 0.000 0.193 47 E C 1.880 178.461 176.600 -0.032 0.000 0.989 47 E CA 0.997 57.362 56.400 -0.059 0.000 0.800 47 E CB -0.058 29.621 29.700 -0.036 0.000 0.746 47 E HN 0.353 nan 8.360 nan 0.000 0.452 48 A N 0.422 123.215 122.820 -0.045 0.000 1.877 48 A HA -0.151 4.169 4.320 0.000 0.000 0.216 48 A C 1.911 179.516 177.584 0.035 0.000 1.186 48 A CA 1.252 53.288 52.037 -0.003 0.000 0.620 48 A CB -0.898 18.102 19.000 0.000 0.000 0.822 48 A HN 0.345 nan 8.150 nan 0.000 0.443 49 F N 0.947 120.740 119.950 -0.263 0.000 2.126 49 F HA -0.154 4.373 4.527 0.000 0.000 0.299 49 F C 2.786 178.542 175.800 -0.072 0.000 1.096 49 F CA 1.777 59.645 58.000 -0.220 0.000 1.255 49 F CB -1.180 37.593 39.000 -0.378 0.000 0.997 49 F HN 0.160 nan 8.300 nan 0.000 0.479 50 T N -0.078 114.571 114.554 0.159 0.000 2.684 50 T HA -0.193 4.157 4.350 0.000 0.000 0.267 50 T C 1.813 176.561 174.700 0.081 0.000 1.036 50 T CA 1.585 63.789 62.100 0.174 0.000 1.148 50 T CB -0.346 68.633 68.868 0.185 0.000 0.863 50 T HN 0.166 nan 8.240 nan 0.000 0.436 51 N N 0.808 119.533 118.700 0.043 0.000 2.188 51 N HA -0.043 4.697 4.740 0.000 0.000 0.184 51 N C 1.950 177.463 175.510 0.006 0.000 1.018 51 N CA 0.641 53.700 53.050 0.016 0.000 0.858 51 N CB -0.625 37.865 38.487 0.005 0.000 0.989 51 N HN 0.223 nan 8.380 nan 0.000 0.426 52 V N 1.570 121.476 119.914 -0.013 0.000 2.307 52 V HA -0.170 3.950 4.120 0.000 0.000 0.245 52 V C 2.460 178.553 176.094 -0.002 0.000 1.045 52 V CA 1.742 64.021 62.300 -0.034 0.000 1.024 52 V CB -1.020 30.726 31.823 -0.129 0.000 0.651 52 V HN 0.268 nan 8.190 nan 0.000 0.449 53 A N -0.077 122.753 122.820 0.017 0.000 1.892 53 A HA -0.301 4.019 4.320 0.000 0.000 0.218 53 A C 2.280 179.873 177.584 0.016 0.000 1.188 53 A CA 2.347 54.404 52.037 0.033 0.000 0.631 53 A CB -0.525 18.522 19.000 0.078 0.000 0.822 53 A HN 0.562 nan 8.150 nan 0.000 0.447 54 K N -0.493 119.914 120.400 0.013 0.000 2.057 54 K HA -0.081 4.239 4.320 0.000 0.000 0.207 54 K C 2.333 178.918 176.600 -0.024 0.000 1.049 54 K CA 1.189 57.468 56.287 -0.013 0.000 0.931 54 K CB -0.353 32.140 32.500 -0.011 0.000 0.714 54 K HN 0.461 nan 8.250 nan 0.000 0.440 55 A N 1.364 124.188 122.820 0.006 0.000 1.902 55 A HA -0.149 4.171 4.320 0.000 0.000 0.217 55 A C 2.129 179.773 177.584 0.099 0.000 1.181 55 A CA 1.327 53.387 52.037 0.039 0.000 0.623 55 A CB -0.581 18.466 19.000 0.079 0.000 0.818 55 A HN 0.181 nan 8.150 nan 0.000 0.443 56 I N 0.687 121.322 120.570 0.109 0.000 2.226 56 I HA -0.250 3.920 4.170 0.000 0.000 0.245 56 I C 2.839 179.016 176.117 0.099 0.000 1.100 56 I CA 1.549 62.950 61.300 0.169 0.000 1.374 56 I CB -0.288 37.766 38.000 0.089 0.000 1.057 56 I HN 0.506 nan 8.210 nan 0.000 0.413 57 S N 0.476 116.174 115.700 -0.004 0.000 2.440 57 S HA -0.225 4.245 4.470 0.000 0.000 0.238 57 S C 1.876 176.397 174.600 -0.132 0.000 1.010 57 S CA 0.869 59.035 58.200 -0.057 0.000 0.972 57 S CB -0.367 62.793 63.200 -0.067 0.000 0.774 57 S HN 0.418 nan 8.310 nan 0.000 0.501 58 Q N 0.154 119.793 119.800 -0.269 0.000 2.226 58 Q HA 0.052 4.392 4.340 0.000 0.000 0.204 58 Q C 1.243 176.887 176.000 -0.594 0.000 0.975 58 Q CA 1.216 56.701 55.803 -0.531 0.000 0.866 58 Q CB -0.492 27.709 28.738 -0.894 0.000 0.915 58 Q HN 0.788 nan 8.270 nan 0.000 0.440 59 F N -0.876 119.057 119.950 -0.028 0.000 2.637 59 F HA 0.215 4.742 4.527 0.000 0.000 0.284 59 F C 0.502 176.287 175.800 -0.026 0.000 1.105 59 F CA 0.241 58.226 58.000 -0.025 0.000 1.356 59 F CB 0.599 39.584 39.000 -0.025 0.000 1.096 59 F HN -0.301 nan 8.300 nan 0.000 0.616 60 T N 0.817 115.449 114.554 0.129 0.000 3.041 60 T HA 0.318 4.668 4.350 0.000 0.000 0.321 60 T C -2.876 171.820 174.700 -0.007 0.000 1.184 60 T CA -1.432 60.704 62.100 0.059 0.000 1.050 60 T CB 2.356 71.267 68.868 0.072 0.000 1.159 60 T HN -0.420 nan 8.240 nan 0.000 0.469 61 P HA 0.247 nan 4.420 nan 0.000 0.262 61 P C -0.798 176.423 177.300 -0.131 0.000 1.182 61 P CA -0.234 62.815 63.100 -0.084 0.000 0.761 61 P CB 0.333 31.980 31.700 -0.089 0.000 0.795 62 M N 3.747 123.266 119.600 -0.136 0.000 2.528 62 M HA 0.441 4.921 4.480 0.000 0.000 0.321 62 M C -1.179 175.001 176.300 -0.200 0.000 1.153 62 M CA -0.121 55.087 55.300 -0.152 0.000 0.951 62 M CB 1.392 33.947 32.600 -0.074 0.000 1.705 62 M HN 0.151 nan 8.290 nan 0.000 0.451 63 N N 2.765 121.315 118.700 -0.250 0.000 2.336 63 N HA 0.602 5.342 4.740 0.000 0.000 0.290 63 N C -1.934 173.590 175.510 0.023 0.000 1.058 63 N CA -0.463 52.452 53.050 -0.226 0.000 0.865 63 N CB 2.469 40.475 38.487 -0.802 0.000 1.581 63 N HN 0.463 nan 8.380 nan 0.000 0.480 64 V N 1.461 121.467 119.914 0.154 0.000 2.588 64 V HA 0.471 4.591 4.120 0.000 0.000 0.304 64 V C 0.065 176.360 176.094 0.335 0.000 1.042 64 V CA -0.871 61.576 62.300 0.246 0.000 0.877 64 V CB 2.008 33.938 31.823 0.178 0.000 0.996 64 V HN 0.490 nan 8.190 nan 0.000 0.425 65 V N 3.430 123.568 119.914 0.374 0.000 2.667 65 V HA 0.976 5.096 4.120 0.000 0.000 0.308 65 V C -0.705 175.554 176.094 0.274 0.000 1.048 65 V CA -0.636 61.878 62.300 0.356 0.000 0.928 65 V CB 1.823 33.843 31.823 0.328 0.000 1.004 65 V HN 0.832 nan 8.190 nan 0.000 0.444 66 V N 3.522 123.581 119.914 0.243 0.000 3.048 66 V HA 0.668 4.788 4.120 0.000 0.000 0.303 66 V C 0.230 176.438 176.094 0.190 0.000 1.214 66 V CA 0.338 62.758 62.300 0.201 0.000 0.984 66 V CB 2.564 34.402 31.823 0.025 0.000 1.054 66 V HN 1.757 nan 8.190 nan 0.000 0.430 67 S N 3.987 119.788 115.700 0.170 0.000 2.572 67 S HA 0.053 4.523 4.470 0.000 0.000 0.267 67 S C 1.081 175.760 174.600 0.131 0.000 1.361 67 S CA 1.005 59.285 58.200 0.132 0.000 1.009 67 S CB 0.819 64.090 63.200 0.119 0.000 0.888 67 S HN 1.057 nan 8.310 nan 0.000 0.553 68 Q N 0.179 120.031 119.800 0.086 0.000 2.062 68 Q HA -0.280 4.060 4.340 0.000 0.000 0.209 68 Q C 2.177 178.232 176.000 0.091 0.000 0.996 68 Q CA 2.012 57.852 55.803 0.063 0.000 0.859 68 Q CB -0.289 28.465 28.738 0.027 0.000 0.920 68 Q HN 0.862 nan 8.270 nan 0.000 0.415 69 Q N -0.372 119.477 119.800 0.081 0.000 2.119 69 Q HA -0.153 4.187 4.340 0.000 0.000 0.201 69 Q C 1.707 177.759 176.000 0.088 0.000 0.972 69 Q CA 1.374 57.222 55.803 0.076 0.000 0.847 69 Q CB 0.124 28.901 28.738 0.065 0.000 0.903 69 Q HN 0.446 nan 8.270 nan 0.000 0.433 70 Q N -0.725 119.137 119.800 0.102 0.000 2.425 70 Q HA 0.002 4.342 4.340 0.000 0.000 0.204 70 Q C 1.617 177.568 176.000 -0.082 0.000 0.933 70 Q CA -0.127 55.712 55.803 0.061 0.000 0.939 70 Q CB -0.122 28.738 28.738 0.202 0.000 1.044 70 Q HN 0.326 nan 8.270 nan 0.000 0.513 71 F N 2.154 122.033 119.950 -0.119 0.000 2.043 71 F HA -0.335 4.192 4.527 0.000 0.000 0.297 71 F C 2.153 177.834 175.800 -0.198 0.000 1.118 71 F CA 2.005 59.908 58.000 -0.162 0.000 1.202 71 F CB 0.103 39.050 39.000 -0.088 0.000 0.965 71 F HN 0.108 nan 8.300 nan 0.000 0.482 72 Q N -0.348 119.420 119.800 -0.053 0.000 2.084 72 Q HA -0.253 4.087 4.340 0.000 0.000 0.202 72 Q C 2.019 177.854 176.000 -0.275 0.000 0.978 72 Q CA 1.699 57.408 55.803 -0.156 0.000 0.844 72 Q CB -0.559 28.198 28.738 0.032 0.000 0.898 72 Q HN 0.505 nan 8.270 nan 0.000 0.426 73 N N 0.621 119.194 118.700 -0.212 0.000 2.084 73 N HA -0.179 4.561 4.740 0.000 0.000 0.190 73 N C 1.872 177.136 175.510 -0.410 0.000 1.030 73 N CA 1.502 54.430 53.050 -0.203 0.000 0.849 73 N CB -0.546 37.905 38.487 -0.061 0.000 1.012 73 N HN 0.289 nan 8.380 nan 0.000 0.423 74 C N 0.396 119.247 119.300 -0.748 0.000 2.413 74 C HA -0.005 4.455 4.460 0.000 0.000 0.276 74 C C 2.780 177.256 174.990 -0.856 0.000 1.236 74 C CA 1.435 59.661 59.018 -1.321 0.000 1.735 74 C CB -1.244 25.537 27.740 -1.598 0.000 2.031 74 C HN 0.543 nan 8.230 nan 0.000 0.474 75 R N 0.751 120.784 120.500 -0.778 0.000 2.096 75 R HA -0.083 4.257 4.340 0.000 0.000 0.235 75 R C 2.373 178.445 176.300 -0.380 0.000 1.127 75 R CA 1.914 57.648 56.100 -0.611 0.000 0.968 75 R CB -0.794 29.040 30.300 -0.777 0.000 0.861 75 R HN 0.593 nan 8.270 nan 0.000 0.440 76 R N -0.223 120.082 120.500 -0.326 0.000 2.075 76 R HA -0.024 4.316 4.340 0.000 0.000 0.232 76 R C 2.131 178.334 176.300 -0.162 0.000 1.126 76 R CA 1.591 57.572 56.100 -0.199 0.000 0.963 76 R CB -0.040 30.171 30.300 -0.148 0.000 0.858 76 R HN 0.277 nan 8.270 nan 0.000 0.435 77 Q N -0.017 119.670 119.800 -0.187 0.000 2.119 77 Q HA -0.018 4.322 4.340 0.000 0.000 0.201 77 Q C 0.291 176.248 176.000 -0.072 0.000 0.972 77 Q CA 0.865 56.619 55.803 -0.082 0.000 0.847 77 Q CB 0.006 28.759 28.738 0.025 0.000 0.903 77 Q HN 0.322 nan 8.270 nan 0.000 0.433 78 L N 3.083 124.216 121.223 -0.149 0.000 2.334 78 L HA 0.254 4.594 4.340 0.000 0.000 0.277 78 L C -2.016 174.792 176.870 -0.104 0.000 1.075 78 L CA -2.041 52.738 54.840 -0.102 0.000 0.804 78 L CB 0.731 42.706 42.059 -0.140 0.000 1.174 78 L HN -0.026 nan 8.230 nan 0.000 0.438 79 P HA 0.072 nan 4.420 nan 0.000 0.269 79 P C -2.213 175.033 177.300 -0.090 0.000 1.215 79 P CA -1.317 61.738 63.100 -0.074 0.000 0.780 79 P CB 0.035 31.700 31.700 -0.059 0.000 0.898 80 P HA -0.168 nan 4.420 nan 0.000 0.220 80 P C 1.228 178.474 177.300 -0.090 0.000 1.148 80 P CA 1.426 64.471 63.100 -0.092 0.000 0.803 80 P CB -0.104 31.550 31.700 -0.077 0.000 0.782 81 E N 0.452 120.604 120.200 -0.080 0.000 2.338 81 E HA -0.098 4.252 4.350 0.000 0.000 0.197 81 E C 0.704 177.250 176.600 -0.089 0.000 1.007 81 E CA 0.430 56.782 56.400 -0.079 0.000 0.849 81 E CB -0.645 29.012 29.700 -0.072 0.000 0.774 81 E HN 0.333 nan 8.360 nan 0.000 0.506 82 I N 2.725 123.239 120.570 -0.094 0.000 2.325 82 I HA 0.083 4.253 4.170 0.000 0.000 0.291 82 I C 0.024 176.066 176.117 -0.125 0.000 1.019 82 I CA -0.452 60.788 61.300 -0.099 0.000 1.302 82 I CB 1.378 39.332 38.000 -0.076 0.000 1.401 82 I HN -0.202 nan 8.210 nan 0.000 0.485 83 T N 6.004 120.475 114.554 -0.137 0.000 2.884 83 T HA 0.341 4.691 4.350 0.000 0.000 0.298 83 T C -0.013 174.574 174.700 -0.189 0.000 0.998 83 T CA -0.319 61.663 62.100 -0.196 0.000 1.124 83 T CB 1.322 70.062 68.868 -0.213 0.000 0.931 83 T HN 0.227 nan 8.240 nan 0.000 0.531 84 V N 3.834 123.590 119.914 -0.263 0.000 2.540 84 V HA 0.471 4.591 4.120 0.000 0.000 0.302 84 V C -1.233 174.804 176.094 -0.095 0.000 1.035 84 V CA -0.918 61.297 62.300 -0.141 0.000 0.873 84 V CB 1.176 32.839 31.823 -0.266 0.000 0.992 84 V HN 0.806 nan 8.190 nan 0.000 0.428 85 Y N 1.478 121.911 120.300 0.223 0.000 2.446 85 Y HA 0.448 4.998 4.550 0.000 0.000 0.345 85 Y C 0.374 176.434 175.900 0.268 0.000 0.984 85 Y CA -0.756 57.497 58.100 0.255 0.000 1.058 85 Y CB 1.664 40.273 38.460 0.248 0.000 1.220 85 Y HN 0.653 nan 8.280 nan 0.000 0.455 86 E N 3.918 124.322 120.200 0.339 0.000 2.360 86 E HA 0.358 4.708 4.350 0.000 0.000 0.269 86 E C -1.097 175.613 176.600 0.183 0.000 1.022 86 E CA -0.140 56.384 56.400 0.207 0.000 0.887 86 E CB 0.595 30.285 29.700 -0.017 0.000 0.990 86 E HN 0.729 nan 8.360 nan 0.000 0.426 87 M N 3.280 122.974 119.600 0.157 0.000 2.296 87 M HA 0.178 4.658 4.480 0.000 0.000 0.268 87 M C -1.343 175.014 176.300 0.094 0.000 1.048 87 M CA -0.270 55.095 55.300 0.109 0.000 0.966 87 M CB 1.761 34.427 32.600 0.110 0.000 1.912 87 M HN 0.386 nan 8.290 nan 0.000 0.484 88 S N 3.398 119.135 115.700 0.063 0.000 2.573 88 S HA 0.450 4.920 4.470 0.000 0.000 0.277 88 S C -0.524 174.116 174.600 0.067 0.000 1.346 88 S CA -0.084 58.151 58.200 0.058 0.000 1.034 88 S CB 0.227 63.448 63.200 0.035 0.000 0.879 88 S HN 0.790 nan 8.310 nan 0.000 0.528 89 N N 0.258 119.004 118.700 0.076 0.000 2.859 89 N HA 0.330 5.070 4.740 0.000 0.000 0.250 89 N C -0.473 175.092 175.510 0.092 0.000 1.341 89 N CA -0.864 52.244 53.050 0.096 0.000 0.881 89 N CB 0.551 39.105 38.487 0.112 0.000 1.516 89 N HN 0.283 nan 8.380 nan 0.000 0.503 90 N N -0.650 118.129 118.700 0.131 0.000 2.439 90 N HA 0.068 4.808 4.740 0.000 0.000 0.176 90 N C -0.786 174.700 175.510 -0.039 0.000 1.029 90 N CA 0.867 53.944 53.050 0.045 0.000 0.886 90 N CB 0.018 38.587 38.487 0.138 0.000 1.057 90 N HN 0.680 nan 8.380 nan 0.000 0.437 91 D N -1.415 119.101 120.400 0.193 0.000 2.752 91 D HA 0.473 5.113 4.640 0.000 0.000 0.313 91 D C -1.415 175.082 176.300 0.329 0.000 1.225 91 D CA -0.598 53.592 54.000 0.316 0.000 0.976 91 D CB 1.320 42.465 40.800 0.574 0.000 1.443 91 D HN -0.055 nan 8.370 nan 0.000 0.515 92 A N 0.692 123.603 122.820 0.152 0.000 3.213 92 A HA 0.398 4.718 4.320 0.000 0.000 0.308 92 A C -1.140 176.324 177.584 -0.200 0.000 1.177 92 A CA -0.539 51.458 52.037 -0.066 0.000 1.010 92 A CB -0.646 18.188 19.000 -0.277 0.000 1.092 92 A HN 0.330 nan 8.150 nan 0.000 0.583 93 W N -0.035 121.517 121.300 0.419 0.000 2.165 93 W HA 0.369 5.029 4.660 0.000 0.000 0.288 93 W C 0.815 177.472 176.519 0.231 0.000 0.900 93 W CA -0.478 57.108 57.345 0.402 0.000 1.914 93 W CB 0.778 30.615 29.460 0.628 0.000 2.091 93 W HN 0.118 nan 8.180 nan 0.000 0.399 94 V N 1.930 122.013 119.914 0.280 0.000 2.970 94 V HA -0.228 3.892 4.120 0.000 0.000 0.260 94 V C 2.542 178.712 176.094 0.127 0.000 1.100 94 V CA 1.779 64.173 62.300 0.158 0.000 1.122 94 V CB -0.127 31.794 31.823 0.164 0.000 0.721 94 V HN 0.379 nan 8.190 nan 0.000 0.483 95 R N 0.807 121.405 120.500 0.164 0.000 2.127 95 R HA -0.132 4.208 4.340 0.000 0.000 0.238 95 R C 1.557 177.909 176.300 0.087 0.000 1.134 95 R CA 2.366 58.505 56.100 0.065 0.000 0.975 95 R CB -0.449 29.866 30.300 0.025 0.000 0.865 95 R HN 0.537 nan 8.270 nan 0.000 0.447 96 D N -1.873 118.641 120.400 0.190 0.000 2.379 96 D HA 0.031 4.671 4.640 0.000 0.000 0.218 96 D C 1.364 177.605 176.300 -0.097 0.000 1.006 96 D CA 1.106 55.219 54.000 0.188 0.000 0.893 96 D CB 0.122 41.264 40.800 0.570 0.000 1.019 96 D HN 0.463 nan 8.370 nan 0.000 0.503 97 C N -0.147 118.936 119.300 -0.361 0.000 2.906 97 C HA 0.645 5.105 4.460 0.000 0.000 0.274 97 C C 1.412 176.258 174.990 -0.240 0.000 1.257 97 C CA -0.495 58.138 59.018 -0.641 0.000 1.695 97 C CB -0.582 26.455 27.740 -1.173 0.000 1.958 97 C HN 0.042 nan 8.230 nan 0.000 0.619 98 G N 2.024 110.755 108.800 -0.114 0.000 2.651 98 G HA2 0.523 4.483 3.960 0.000 0.000 0.260 98 G HA3 0.523 4.483 3.960 0.000 0.000 0.260 98 G C -2.581 172.236 174.900 -0.138 0.000 1.216 98 G CA -0.642 44.386 45.100 -0.121 0.000 0.913 98 G HN 0.373 nan 8.290 nan 0.000 0.535 99 P HA 0.245 nan 4.420 nan 0.000 0.278 99 P C -0.619 176.455 177.300 -0.377 0.000 1.238 99 P CA -0.355 62.467 63.100 -0.463 0.000 0.794 99 P CB 1.388 32.591 31.700 -0.829 0.000 0.955 100 S N 2.158 117.723 115.700 -0.226 0.000 2.410 100 S HA 0.397 4.867 4.470 0.000 0.000 0.304 100 S C -0.171 174.383 174.600 -0.077 0.000 1.095 100 S CA -0.292 57.931 58.200 0.039 0.000 1.089 100 S CB -0.615 62.884 63.200 0.497 0.000 0.968 100 S HN 0.228 nan 8.310 nan 0.000 0.480 101 F N 2.634 122.657 119.950 0.121 0.000 2.399 101 F HA 0.425 4.952 4.527 0.000 0.000 0.342 101 F C 0.692 176.576 175.800 0.139 0.000 1.106 101 F CA -0.523 57.541 58.000 0.106 0.000 1.196 101 F CB 0.856 39.922 39.000 0.111 0.000 1.163 101 F HN 0.311 nan 8.300 nan 0.000 0.547 102 V N 2.711 122.840 119.914 0.359 0.000 2.769 102 V HA 0.782 4.902 4.120 0.000 0.000 0.312 102 V C -0.566 175.797 176.094 0.448 0.000 1.061 102 V CA -1.063 61.435 62.300 0.330 0.000 0.931 102 V CB 1.734 33.717 31.823 0.266 0.000 1.010 102 V HN 0.708 nan 8.190 nan 0.000 0.433 103 I N 1.180 121.955 120.570 0.341 0.000 2.785 103 I HA 0.785 4.955 4.170 0.000 0.000 0.302 103 I C -0.493 175.585 176.117 -0.066 0.000 1.069 103 I CA -0.722 60.720 61.300 0.236 0.000 1.045 103 I CB 2.331 40.398 38.000 0.111 0.000 1.236 103 I HN 0.863 nan 8.210 nan 0.000 0.429 104 N N 1.660 120.100 118.700 -0.434 0.000 2.725 104 N HA 0.317 5.057 4.740 0.000 0.000 0.312 104 N C 0.226 175.559 175.510 -0.294 0.000 1.295 104 N CA 0.105 52.796 53.050 -0.598 0.000 0.914 104 N CB 0.015 37.824 38.487 -1.129 0.000 1.177 104 N HN 0.711 nan 8.380 nan 0.000 0.601 105 D N -2.562 117.645 120.400 -0.322 0.000 2.336 105 D HA 0.001 4.641 4.640 0.000 0.000 0.229 105 D C 0.281 176.317 176.300 -0.441 0.000 1.061 105 D CA 0.390 54.170 54.000 -0.367 0.000 0.875 105 D CB -0.725 39.815 40.800 -0.434 0.000 0.904 105 D HN 0.570 nan 8.370 nan 0.000 0.525 106 H N -1.340 117.655 119.070 -0.125 0.000 2.662 106 H HA 0.426 4.982 4.556 0.000 0.000 0.268 106 H C 1.761 177.064 175.328 -0.043 0.000 1.152 106 H CA 0.343 56.347 56.048 -0.074 0.000 1.072 106 H CB 1.008 30.727 29.762 -0.072 0.000 1.660 106 H HN 0.433 nan 8.280 nan 0.000 0.584 107 G N 1.789 110.610 108.800 0.034 0.000 2.147 107 G HA2 -0.264 3.697 3.960 0.000 0.000 0.244 107 G HA3 -0.264 3.697 3.960 0.000 0.000 0.244 107 G C -0.060 174.885 174.900 0.076 0.000 1.005 107 G CA 0.177 45.303 45.100 0.044 0.000 0.713 107 G HN 0.454 nan 8.290 nan 0.000 0.515 108 E N -0.855 119.400 120.200 0.092 0.000 2.227 108 E HA 0.775 5.125 4.350 0.000 0.000 0.268 108 E C -0.170 176.615 176.600 0.308 0.000 0.990 108 E CA -0.850 55.672 56.400 0.202 0.000 0.856 108 E CB 2.418 32.295 29.700 0.296 0.000 1.159 108 E HN 0.343 nan 8.360 nan 0.000 0.401 109 I N 0.849 121.644 120.570 0.376 0.000 2.619 109 I HA 0.439 4.609 4.170 0.000 0.000 0.292 109 I C -1.290 175.027 176.117 0.334 0.000 1.100 109 I CA -0.523 61.007 61.300 0.383 0.000 1.043 109 I CB 1.369 39.486 38.000 0.195 0.000 1.239 109 I HN 0.476 nan 8.210 nan 0.000 0.420 110 R N 3.657 124.334 120.500 0.296 0.000 2.888 110 R HA 0.726 5.066 4.340 0.000 0.000 0.264 110 R C -0.730 175.688 176.300 0.198 0.000 1.045 110 R CA -1.005 55.148 56.100 0.088 0.000 0.962 110 R CB 2.080 32.218 30.300 -0.270 0.000 1.210 110 R HN 0.729 nan 8.270 nan 0.000 0.479 111 G N 0.253 109.081 108.800 0.046 0.000 2.420 111 G HA2 0.509 4.469 3.960 0.000 0.000 0.331 111 G HA3 0.509 4.469 3.960 0.000 0.000 0.331 111 G C -1.083 173.732 174.900 -0.141 0.000 1.168 111 G CA -0.406 44.601 45.100 -0.155 0.000 0.936 111 G HN 0.245 nan 8.290 nan 0.000 0.479 112 V N 1.946 121.678 119.914 -0.305 0.000 2.394 112 V HA 0.299 4.419 4.120 0.000 0.000 0.282 112 V C -0.692 174.975 176.094 -0.710 0.000 1.031 112 V CA -0.678 61.312 62.300 -0.516 0.000 0.881 112 V CB 1.625 32.931 31.823 -0.862 0.000 0.982 112 V HN 0.739 nan 8.190 nan 0.000 0.451 113 D N 4.917 124.995 120.400 -0.537 0.000 2.473 113 D HA 0.267 4.907 4.640 0.000 0.000 0.226 113 D C -0.442 175.683 176.300 -0.291 0.000 1.089 113 D CA -0.442 53.344 54.000 -0.357 0.000 0.883 113 D CB 0.506 41.184 40.800 -0.204 0.000 1.029 113 D HN 0.404 nan 8.370 nan 0.000 0.517 114 W N 1.809 123.083 121.300 -0.043 0.000 2.129 114 W HA 0.263 4.923 4.660 0.000 0.000 0.349 114 W C 1.100 177.602 176.519 -0.028 0.000 1.279 114 W CA -0.733 56.588 57.345 -0.040 0.000 1.306 114 W CB 0.299 29.737 29.460 -0.036 0.000 1.140 114 W HN 0.095 nan 8.180 nan 0.000 0.613 115 T N 2.761 117.436 114.554 0.200 0.000 2.834 115 T HA 0.109 4.459 4.350 0.000 0.000 0.298 115 T C -0.896 173.845 174.700 0.070 0.000 0.966 115 T CA -0.137 62.028 62.100 0.108 0.000 1.141 115 T CB -0.171 68.726 68.868 0.048 0.000 0.905 115 T HN 0.188 nan 8.240 nan 0.000 0.535 116 F N 4.400 124.297 119.950 -0.088 0.000 2.422 116 F HA 0.487 5.014 4.527 0.000 0.000 0.333 116 F C 0.666 176.179 175.800 -0.479 0.000 1.095 116 F CA -1.326 56.518 58.000 -0.260 0.000 1.038 116 F CB 1.084 39.974 39.000 -0.183 0.000 1.156 116 F HN 0.569 nan 8.300 nan 0.000 0.483 117 N N 3.845 121.553 118.700 -1.654 0.000 2.387 117 N HA 0.200 4.940 4.740 0.000 0.000 0.259 117 N C -0.265 173.828 175.510 -2.362 0.000 1.369 117 N CA 0.226 51.980 53.050 -2.160 0.000 0.867 117 N CB 0.176 37.885 38.487 -1.297 0.000 1.341 117 N HN 0.925 nan 8.380 nan 0.000 0.495 118 A N 0.301 121.522 122.820 -2.666 0.000 2.791 118 A HA -0.167 4.153 4.320 0.000 0.000 0.292 118 A C 0.453 177.533 177.584 -0.841 0.000 1.487 118 A CA 0.576 51.592 52.037 -1.702 0.000 0.760 118 A CB -2.660 15.738 19.000 -1.004 0.000 1.031 118 A HN 0.611 nan 8.150 nan 0.000 0.503 119 W N -3.242 117.553 121.300 -0.843 0.000 5.158 119 W HA -0.115 4.545 4.660 0.000 0.000 0.393 119 W C 1.172 177.415 176.519 -0.460 0.000 1.508 119 W CA 0.897 57.929 57.345 -0.522 0.000 0.901 119 W CB -2.121 27.083 29.460 -0.427 0.000 2.676 119 W HN 2.452 nan 8.180 nan 0.000 1.392 120 G N -1.812 106.746 108.800 -0.404 0.000 2.273 120 G HA2 0.287 4.248 3.960 0.000 0.000 0.162 120 G HA3 0.287 4.248 3.960 0.000 0.000 0.162 120 G C 0.935 175.635 174.900 -0.333 0.000 1.006 120 G CA 0.506 45.429 45.100 -0.294 0.000 0.704 120 G HN 1.563 nan 8.290 nan 0.000 0.487 121 G N 0.161 108.603 108.800 -0.597 0.000 2.596 121 G HA2 -0.272 3.688 3.960 0.000 0.000 0.295 121 G HA3 -0.272 3.688 3.960 0.000 0.000 0.295 121 G C 1.076 175.945 174.900 -0.052 0.000 1.240 121 G CA 0.644 45.404 45.100 -0.567 0.000 0.985 121 G HN 1.161 nan 8.290 nan 0.000 0.555 122 L N 0.818 122.109 121.223 0.115 0.000 2.599 122 L HA 0.122 4.462 4.340 0.000 0.000 0.230 122 L C 2.774 179.641 176.870 -0.004 0.000 1.141 122 L CA 0.232 55.117 54.840 0.074 0.000 0.877 122 L CB -0.148 41.936 42.059 0.041 0.000 1.009 122 L HN 0.352 nan 8.230 nan 0.000 0.447 123 V N 0.540 120.435 119.914 -0.032 0.000 2.300 123 V HA -0.128 3.992 4.120 0.000 0.000 0.241 123 V C 1.073 177.141 176.094 -0.044 0.000 1.034 123 V CA 2.020 64.295 62.300 -0.041 0.000 1.021 123 V CB -0.129 31.663 31.823 -0.052 0.000 0.662 123 V HN 0.655 nan 8.190 nan 0.000 0.458 124 D N -1.380 118.980 120.400 -0.066 0.000 2.783 124 D HA 0.179 4.819 4.640 0.000 0.000 0.306 124 D C 0.576 176.829 176.300 -0.079 0.000 1.633 124 D CA 0.275 54.239 54.000 -0.061 0.000 0.796 124 D CB -0.623 40.142 40.800 -0.059 0.000 1.230 124 D HN 0.263 nan 8.370 nan 0.000 0.441 125 G N 0.335 109.073 108.800 -0.103 0.000 2.699 125 G HA2 0.286 4.246 3.960 0.000 0.000 0.246 125 G HA3 0.286 4.246 3.960 0.000 0.000 0.246 125 G C 0.529 175.391 174.900 -0.063 0.000 1.219 125 G CA -0.433 44.581 45.100 -0.144 0.000 0.866 125 G HN 0.122 nan 8.290 nan 0.000 0.572 126 L N -0.241 120.925 121.223 -0.095 0.000 2.529 126 L HA 0.310 4.650 4.340 0.000 0.000 0.223 126 L C 0.215 177.161 176.870 0.125 0.000 1.113 126 L CA 0.335 55.152 54.840 -0.037 0.000 0.861 126 L CB -1.582 40.431 42.059 -0.077 0.000 1.012 126 L HN 0.685 nan 8.230 nan 0.000 0.461 127 Y N -4.335 116.126 120.300 0.269 0.000 2.741 127 Y HA 0.552 5.102 4.550 0.000 0.000 0.339 127 Y C -1.431 174.751 175.900 0.470 0.000 1.226 127 Y CA -2.633 55.642 58.100 0.291 0.000 1.072 127 Y CB 0.839 39.453 38.460 0.256 0.000 1.331 127 Y HN -0.185 nan 8.280 nan 0.000 0.453 128 F N 3.404 123.631 119.950 0.460 0.000 2.588 128 F HA 0.857 5.384 4.527 0.000 0.000 0.314 128 F C -2.915 172.978 175.800 0.155 0.000 1.134 128 F CA -1.882 56.296 58.000 0.297 0.000 0.961 128 F CB 1.899 40.988 39.000 0.149 0.000 1.239 128 F HN 0.605 nan 8.300 nan 0.000 0.448 129 P HA 0.411 nan 4.420 nan 0.000 0.287 129 P C -1.172 176.073 177.300 -0.092 0.000 1.296 129 P CA -0.293 62.206 63.100 -1.002 0.000 0.811 129 P CB 1.303 32.260 31.700 -1.239 0.000 1.211 130 W N -0.942 120.370 121.300 0.020 0.000 2.190 130 W HA 0.244 4.904 4.660 0.000 0.000 0.337 130 W C 0.711 177.322 176.519 0.154 0.000 0.911 130 W CA -0.196 57.290 57.345 0.234 0.000 1.925 130 W CB -0.889 28.689 29.460 0.197 0.000 1.134 130 W HN 0.183 nan 8.180 nan 0.000 0.536 131 D N 0.680 121.004 120.400 -0.125 0.000 2.144 131 D HA -0.254 4.386 4.640 0.000 0.000 0.199 131 D C 1.422 177.760 176.300 0.062 0.000 0.984 131 D CA 1.496 55.463 54.000 -0.056 0.000 0.834 131 D CB -0.360 40.334 40.800 -0.176 0.000 0.955 131 D HN 0.232 nan 8.370 nan 0.000 0.465 132 Q N 0.533 120.375 119.800 0.070 0.000 2.137 132 Q HA -0.059 4.281 4.340 0.000 0.000 0.198 132 Q C 1.779 177.843 176.000 0.108 0.000 0.960 132 Q CA 0.848 56.694 55.803 0.071 0.000 0.847 132 Q CB -0.345 28.422 28.738 0.049 0.000 0.915 132 Q HN 0.388 nan 8.270 nan 0.000 0.448 133 D N 1.265 121.780 120.400 0.192 0.000 2.133 133 D HA -0.173 4.467 4.640 0.000 0.000 0.195 133 D C 1.322 177.669 176.300 0.078 0.000 0.997 133 D CA 1.355 55.440 54.000 0.142 0.000 0.840 133 D CB -0.189 40.791 40.800 0.299 0.000 0.947 133 D HN 0.233 nan 8.370 nan 0.000 0.452 134 D N -0.578 119.967 120.400 0.241 0.000 2.371 134 D HA -0.018 4.622 4.640 0.000 0.000 0.221 134 D C 1.715 178.066 176.300 0.085 0.000 0.986 134 D CA 0.232 54.364 54.000 0.220 0.000 0.899 134 D CB 0.022 41.030 40.800 0.347 0.000 0.902 134 D HN 0.182 nan 8.370 nan 0.000 0.530 135 L N -0.938 120.314 121.223 0.047 0.000 2.554 135 L HA 0.087 4.427 4.340 0.000 0.000 0.225 135 L C 2.105 178.948 176.870 -0.045 0.000 1.104 135 L CA -0.100 54.739 54.840 -0.001 0.000 0.866 135 L CB 0.327 42.388 42.059 0.002 0.000 1.047 135 L HN -0.076 nan 8.230 nan 0.000 0.468 136 V N 0.723 120.604 119.914 -0.055 0.000 2.332 136 V HA -0.335 3.785 4.120 0.000 0.000 0.248 136 V C 2.812 178.806 176.094 -0.165 0.000 1.055 136 V CA 2.067 64.309 62.300 -0.098 0.000 1.038 136 V CB -0.744 31.026 31.823 -0.088 0.000 0.651 136 V HN 0.519 nan 8.190 nan 0.000 0.450 137 A N -0.762 121.959 122.820 -0.164 0.000 1.877 137 A HA -0.330 3.990 4.320 0.000 0.000 0.216 137 A C 2.267 179.715 177.584 -0.227 0.000 1.186 137 A CA 2.251 54.152 52.037 -0.227 0.000 0.620 137 A CB -0.583 18.297 19.000 -0.200 0.000 0.822 137 A HN 0.614 nan 8.150 nan 0.000 0.443 138 Q N -0.319 119.386 119.800 -0.158 0.000 2.079 138 Q HA -0.189 4.151 4.340 0.000 0.000 0.200 138 Q C 1.963 177.880 176.000 -0.139 0.000 0.974 138 Q CA 1.811 57.532 55.803 -0.136 0.000 0.840 138 Q CB -0.117 28.565 28.738 -0.094 0.000 0.898 138 Q HN 0.683 nan 8.270 nan 0.000 0.430 139 K N 0.120 120.436 120.400 -0.140 0.000 2.057 139 K HA -0.095 4.225 4.320 0.000 0.000 0.206 139 K C 2.063 178.533 176.600 -0.217 0.000 1.050 139 K CA 1.348 57.552 56.287 -0.138 0.000 0.935 139 K CB -0.066 32.370 32.500 -0.106 0.000 0.715 139 K HN 0.278 nan 8.250 nan 0.000 0.439 140 I N 0.769 121.139 120.570 -0.333 0.000 2.226 140 I HA -0.347 3.824 4.170 0.000 0.000 0.245 140 I C 2.353 178.284 176.117 -0.309 0.000 1.100 140 I CA 0.906 61.870 61.300 -0.560 0.000 1.374 140 I CB -0.341 37.146 38.000 -0.855 0.000 1.057 140 I HN 0.263 nan 8.210 nan 0.000 0.413 141 C N 0.475 119.659 119.300 -0.193 0.000 2.429 141 C HA -0.125 4.335 4.460 0.000 0.000 0.277 141 C C 2.735 177.723 174.990 -0.003 0.000 1.262 141 C CA 0.588 59.583 59.018 -0.039 0.000 1.733 141 C CB -0.936 26.755 27.740 -0.082 0.000 2.010 141 C HN 0.478 nan 8.230 nan 0.000 0.483 142 E N 0.834 121.004 120.200 -0.049 0.000 2.058 142 E HA -0.161 4.189 4.350 0.000 0.000 0.194 142 E C 1.966 178.612 176.600 0.077 0.000 0.997 142 E CA 1.250 57.642 56.400 -0.013 0.000 0.801 142 E CB -0.461 29.213 29.700 -0.043 0.000 0.746 142 E HN 0.655 nan 8.360 nan 0.000 0.450 143 I N 1.457 122.043 120.570 0.026 0.000 2.194 143 I HA -0.257 3.913 4.170 0.000 0.000 0.246 143 I C 1.975 178.217 176.117 0.209 0.000 1.093 143 I CA 1.248 62.605 61.300 0.096 0.000 1.355 143 I CB -0.178 37.770 38.000 -0.088 0.000 1.046 143 I HN -0.010 nan 8.210 nan 0.000 0.413 144 E N -0.486 119.816 120.200 0.170 0.000 2.502 144 E HA -0.089 4.261 4.350 0.000 0.000 0.194 144 E C -0.125 176.608 176.600 0.222 0.000 1.062 144 E CA 0.206 56.711 56.400 0.175 0.000 0.867 144 E CB -0.220 29.582 29.700 0.170 0.000 0.888 144 E HN 0.449 nan 8.360 nan 0.000 0.510 145 H N -1.356 117.745 119.070 0.051 0.000 2.791 145 H HA -0.146 4.410 4.556 0.000 0.000 0.302 145 H C -0.160 175.189 175.328 0.036 0.000 1.198 145 H CA 0.625 56.694 56.048 0.035 0.000 1.145 145 H CB -2.404 27.381 29.762 0.039 0.000 1.385 145 H HN 0.077 nan 8.280 nan 0.000 0.409 146 V N -0.717 119.286 119.914 0.148 0.000 2.435 146 V HA 0.506 4.626 4.120 0.000 0.000 0.290 146 V C 0.314 176.420 176.094 0.019 0.000 1.030 146 V CA -0.916 61.451 62.300 0.111 0.000 0.881 146 V CB 1.931 33.875 31.823 0.202 0.000 0.983 146 V HN 0.158 nan 8.190 nan 0.000 0.445 147 D N 4.202 124.580 120.400 -0.035 0.000 2.362 147 D HA 0.510 5.150 4.640 0.000 0.000 0.242 147 D C 0.210 176.395 176.300 -0.192 0.000 1.132 147 D CA 0.447 54.367 54.000 -0.134 0.000 0.907 147 D CB 1.601 42.291 40.800 -0.185 0.000 1.195 147 D HN 1.008 nan 8.370 nan 0.000 0.429 148 S N 0.078 115.628 115.700 -0.251 0.000 2.569 148 S HA 0.548 5.018 4.470 0.000 0.000 0.280 148 S C -1.223 173.191 174.600 -0.309 0.000 1.111 148 S CA -0.966 57.092 58.200 -0.237 0.000 0.887 148 S CB 0.799 63.897 63.200 -0.171 0.000 1.095 148 S HN 0.272 nan 8.310 nan 0.000 0.476 149 Y N 0.722 120.924 120.300 -0.163 0.000 2.326 149 Y HA 0.662 5.212 4.550 0.000 0.000 0.337 149 Y C 0.552 176.357 175.900 -0.159 0.000 1.023 149 Y CA -0.666 57.376 58.100 -0.097 0.000 1.143 149 Y CB 1.070 39.543 38.460 0.022 0.000 1.183 149 Y HN 0.737 nan 8.280 nan 0.000 0.485 150 R N 1.578 122.091 120.500 0.023 0.000 2.294 150 R HA 0.353 4.694 4.340 0.000 0.000 0.319 150 R C -0.513 175.766 176.300 -0.036 0.000 0.984 150 R CA -0.555 55.520 56.100 -0.040 0.000 0.861 150 R CB 0.592 30.878 30.300 -0.023 0.000 1.104 150 R HN 0.710 nan 8.270 nan 0.000 0.451 151 T N 1.452 115.948 114.554 -0.097 0.000 3.316 151 T HA 0.244 4.594 4.350 0.000 0.000 0.341 151 T C -0.496 174.253 174.700 0.082 0.000 1.397 151 T CA -0.955 61.097 62.100 -0.080 0.000 1.085 151 T CB -0.166 68.644 68.868 -0.096 0.000 1.160 151 T HN 0.463 nan 8.240 nan 0.000 0.694 152 D N 3.683 124.126 120.400 0.072 0.000 2.533 152 D HA 0.049 4.689 4.640 0.000 0.000 0.236 152 D C 0.745 177.119 176.300 0.123 0.000 1.137 152 D CA 0.810 54.862 54.000 0.087 0.000 0.867 152 D CB 0.297 41.140 40.800 0.071 0.000 1.170 152 D HN 0.603 nan 8.370 nan 0.000 0.474 153 D N 0.680 121.150 120.400 0.116 0.000 3.012 153 D HA -0.279 4.361 4.640 0.000 0.000 0.222 153 D C -0.225 176.192 176.300 0.196 0.000 1.167 153 D CA 0.748 54.822 54.000 0.123 0.000 0.854 153 D CB -1.565 39.297 40.800 0.103 0.000 1.107 153 D HN 0.413 nan 8.370 nan 0.000 0.421 154 F N 0.725 120.689 119.950 0.023 0.000 2.553 154 F HA 0.419 4.946 4.527 0.000 0.000 0.335 154 F C -0.509 175.309 175.800 0.031 0.000 1.148 154 F CA -0.830 57.183 58.000 0.021 0.000 0.963 154 F CB 1.255 40.268 39.000 0.022 0.000 1.217 154 F HN -0.271 nan 8.300 nan 0.000 0.441 155 V N 7.177 126.732 119.914 -0.597 0.000 2.465 155 V HA 0.555 4.675 4.120 0.000 0.000 0.279 155 V C -0.625 174.962 176.094 -0.845 0.000 1.045 155 V CA -0.367 61.612 62.300 -0.536 0.000 0.938 155 V CB 1.241 32.825 31.823 -0.399 0.000 0.986 155 V HN 0.686 nan 8.190 nan 0.000 0.467 156 L N 4.787 125.675 121.223 -0.560 0.000 2.582 156 L HA 0.661 5.001 4.340 0.000 0.000 0.257 156 L C -1.203 175.434 176.870 -0.388 0.000 0.974 156 L CA -0.258 54.205 54.840 -0.629 0.000 0.851 156 L CB 2.675 44.101 42.059 -1.056 0.000 1.424 156 L HN 0.674 nan 8.230 nan 0.000 0.412 157 E N 0.924 120.942 120.200 -0.303 0.000 2.238 157 E HA 0.570 4.920 4.350 0.000 0.000 0.267 157 E C 0.666 177.100 176.600 -0.277 0.000 0.887 157 E CA -0.029 56.294 56.400 -0.129 0.000 0.769 157 E CB 1.688 31.451 29.700 0.106 0.000 1.187 157 E HN 0.687 nan 8.360 nan 0.000 0.416 158 G N 1.885 110.580 108.800 -0.174 0.000 2.503 158 G HA2 -0.283 3.677 3.960 0.000 0.000 0.221 158 G HA3 -0.283 3.677 3.960 0.000 0.000 0.221 158 G C 1.208 175.632 174.900 -0.792 0.000 1.131 158 G CA 0.812 45.641 45.100 -0.450 0.000 0.756 158 G HN 0.625 nan 8.290 nan 0.000 0.572 159 G N 0.234 108.740 108.800 -0.491 0.000 2.848 159 G HA2 0.076 4.036 3.960 0.000 0.000 0.208 159 G HA3 0.076 4.036 3.960 0.000 0.000 0.208 159 G C 1.837 176.162 174.900 -0.959 0.000 1.152 159 G CA 1.256 46.038 45.100 -0.529 0.000 0.789 159 G HN 0.686 nan 8.290 nan 0.000 0.531 160 S N -0.265 114.808 115.700 -1.045 0.000 2.558 160 S HA 0.409 4.879 4.470 0.000 0.000 0.217 160 S C 0.371 174.793 174.600 -0.296 0.000 0.975 160 S CA -0.505 57.275 58.200 -0.699 0.000 0.912 160 S CB -0.324 62.639 63.200 -0.396 0.000 0.776 160 S HN 0.472 nan 8.310 nan 0.000 0.526 161 F N -0.894 118.849 119.950 -0.345 0.000 2.643 161 F HA 0.784 5.312 4.527 0.000 0.000 0.314 161 F C -0.842 174.834 175.800 -0.207 0.000 1.096 161 F CA -1.346 56.522 58.000 -0.221 0.000 0.953 161 F CB 0.768 39.656 39.000 -0.187 0.000 1.345 161 F HN -0.099 nan 8.300 nan 0.000 0.468 162 H N 0.805 120.038 119.070 0.272 0.000 2.806 162 H HA 0.720 5.276 4.556 0.000 0.000 0.367 162 H C -1.142 174.486 175.328 0.501 0.000 1.136 162 H CA -0.716 55.515 56.048 0.305 0.000 1.178 162 H CB 2.392 32.269 29.762 0.192 0.000 1.718 162 H HN 0.818 nan 8.280 nan 0.000 0.540 163 V N 0.145 120.400 119.914 0.569 0.000 2.864 163 V HA 0.364 4.484 4.120 0.000 0.000 0.314 163 V C 0.560 176.565 176.094 -0.150 0.000 1.073 163 V CA -0.827 61.607 62.300 0.223 0.000 0.956 163 V CB 2.241 34.172 31.823 0.180 0.000 1.023 163 V HN 0.817 nan 8.190 nan 0.000 0.435 164 D N 0.622 120.671 120.400 -0.586 0.000 2.360 164 D HA 0.209 4.849 4.640 0.000 0.000 0.210 164 D C 1.400 177.625 176.300 -0.125 0.000 1.047 164 D CA 0.761 54.437 54.000 -0.539 0.000 0.854 164 D CB 0.439 40.681 40.800 -0.931 0.000 0.936 164 D HN 1.716 nan 8.370 nan 0.000 0.514 165 G N 0.591 109.313 108.800 -0.129 0.000 2.162 165 G HA2 -0.323 3.637 3.960 0.000 0.000 0.260 165 G HA3 -0.323 3.637 3.960 0.000 0.000 0.260 165 G C 0.481 175.362 174.900 -0.031 0.000 0.976 165 G CA 0.383 45.447 45.100 -0.059 0.000 0.655 165 G HN 0.475 nan 8.290 nan 0.000 0.533 166 Q N -1.132 118.634 119.800 -0.056 0.000 2.106 166 Q HA 0.462 4.802 4.340 0.000 0.000 0.273 166 Q C 1.326 177.299 176.000 -0.046 0.000 0.853 166 Q CA 0.249 56.029 55.803 -0.037 0.000 1.118 166 Q CB 1.042 29.767 28.738 -0.023 0.000 1.240 166 Q HN 1.401 nan 8.270 nan 0.000 0.445 167 G N 0.599 109.369 108.800 -0.049 0.000 2.176 167 G HA2 -0.206 3.754 3.960 0.000 0.000 0.232 167 G HA3 -0.206 3.754 3.960 0.000 0.000 0.232 167 G C 0.190 175.069 174.900 -0.035 0.000 0.986 167 G CA 0.120 45.199 45.100 -0.035 0.000 0.643 167 G HN 0.281 nan 8.290 nan 0.000 0.522 168 T N -0.102 114.416 114.554 -0.061 0.000 2.856 168 T HA 0.686 5.037 4.350 0.000 0.000 0.283 168 T C -0.564 174.142 174.700 0.011 0.000 1.008 168 T CA -0.155 61.933 62.100 -0.020 0.000 0.997 168 T CB 2.879 71.749 68.868 0.003 0.000 0.992 168 T HN 0.978 nan 8.240 nan 0.000 0.454 169 V N 3.451 123.405 119.914 0.066 0.000 2.735 169 V HA 0.800 4.920 4.120 0.000 0.000 0.310 169 V C -1.542 174.636 176.094 0.140 0.000 1.061 169 V CA -1.016 61.362 62.300 0.130 0.000 0.913 169 V CB 1.888 33.704 31.823 -0.013 0.000 1.005 169 V HN 0.765 nan 8.190 nan 0.000 0.428 170 L N 5.675 127.044 121.223 0.244 0.000 2.341 170 L HA 0.909 5.249 4.340 0.000 0.000 0.278 170 L C -0.226 176.655 176.870 0.018 0.000 1.005 170 L CA 0.787 55.683 54.840 0.093 0.000 0.818 170 L CB 1.856 43.946 42.059 0.053 0.000 1.259 170 L HN 0.922 nan 8.230 nan 0.000 0.418 171 T N 1.536 116.025 114.554 -0.109 0.000 2.671 171 T HA 0.731 5.081 4.350 0.000 0.000 0.300 171 T C -1.212 173.491 174.700 0.005 0.000 1.238 171 T CA 0.192 62.228 62.100 -0.107 0.000 1.020 171 T CB 1.458 70.166 68.868 -0.266 0.000 1.503 171 T HN 0.804 nan 8.240 nan 0.000 0.497 172 T N -0.328 114.293 114.554 0.112 0.000 2.841 172 T HA 0.541 4.891 4.350 0.000 0.000 0.283 172 T C 0.721 175.675 174.700 0.423 0.000 1.000 172 T CA -0.660 61.583 62.100 0.238 0.000 0.977 172 T CB 1.758 70.707 68.868 0.135 0.000 0.979 172 T HN 0.640 nan 8.240 nan 0.000 0.446 173 E N 1.368 121.824 120.200 0.428 0.000 2.077 173 E HA -0.159 4.191 4.350 0.000 0.000 0.193 173 E C 1.926 178.596 176.600 0.117 0.000 0.989 173 E CA 1.049 57.575 56.400 0.209 0.000 0.800 173 E CB -0.157 29.540 29.700 -0.005 0.000 0.746 173 E HN 0.764 nan 8.360 nan 0.000 0.452 174 M N 0.562 120.221 119.600 0.098 0.000 2.108 174 M HA -0.248 4.232 4.480 0.000 0.000 0.257 174 M C 2.402 178.739 176.300 0.062 0.000 1.071 174 M CA 1.614 56.947 55.300 0.055 0.000 1.093 174 M CB -0.198 32.428 32.600 0.042 0.000 1.345 174 M HN 0.332 nan 8.290 nan 0.000 0.403 175 C N 0.302 119.666 119.300 0.106 0.000 2.576 175 C HA 0.020 4.480 4.460 0.000 0.000 0.281 175 C C 2.515 177.564 174.990 0.097 0.000 1.292 175 C CA 0.385 59.465 59.018 0.105 0.000 1.697 175 C CB -1.021 26.817 27.740 0.164 0.000 2.109 175 C HN 0.652 nan 8.230 nan 0.000 0.497 176 L N 0.885 122.212 121.223 0.173 0.000 2.217 176 L HA 0.007 4.347 4.340 0.000 0.000 0.211 176 L C 1.942 178.888 176.870 0.127 0.000 1.107 176 L CA 1.101 56.048 54.840 0.177 0.000 0.783 176 L CB -0.540 41.729 42.059 0.350 0.000 0.919 176 L HN 0.421 nan 8.230 nan 0.000 0.442 177 L N -0.387 120.886 121.223 0.083 0.000 2.611 177 L HA 0.102 4.442 4.340 0.000 0.000 0.229 177 L C 1.269 178.133 176.870 -0.010 0.000 1.137 177 L CA -0.340 54.501 54.840 0.001 0.000 0.901 177 L CB -0.199 41.807 42.059 -0.089 0.000 1.098 177 L HN 0.213 nan 8.230 nan 0.000 0.456 178 S N -1.306 114.392 115.700 -0.003 0.000 2.603 178 S HA 0.017 4.487 4.470 0.000 0.000 0.268 178 S C 1.055 175.636 174.600 -0.033 0.000 1.317 178 S CA -0.524 57.663 58.200 -0.021 0.000 1.012 178 S CB 1.636 64.822 63.200 -0.023 0.000 0.926 178 S HN 0.291 nan 8.310 nan 0.000 0.539 179 E N 1.901 122.080 120.200 -0.036 0.000 2.160 179 E HA -0.117 4.233 4.350 0.000 0.000 0.195 179 E C 1.735 178.304 176.600 -0.052 0.000 0.991 179 E CA 1.154 57.532 56.400 -0.037 0.000 0.810 179 E CB -0.794 28.886 29.700 -0.033 0.000 0.742 179 E HN 0.934 nan 8.360 nan 0.000 0.466 180 G N -0.115 108.643 108.800 -0.071 0.000 2.920 180 G HA2 -0.076 3.884 3.960 0.000 0.000 0.208 180 G HA3 -0.076 3.884 3.960 0.000 0.000 0.208 180 G C 1.299 176.111 174.900 -0.148 0.000 1.159 180 G CA -0.225 44.811 45.100 -0.106 0.000 0.784 180 G HN -0.022 nan 8.290 nan 0.000 0.535 181 R N 0.618 121.044 120.500 -0.124 0.000 1.864 181 R HA 0.172 4.512 4.340 0.000 0.000 0.174 181 R C 0.040 176.263 176.300 -0.128 0.000 1.773 181 R CA 0.400 56.403 56.100 -0.163 0.000 1.381 181 R CB -0.903 29.311 30.300 -0.142 0.000 1.066 181 R HN 0.190 nan 8.270 nan 0.000 0.482 182 N N 1.767 120.427 118.700 -0.067 0.000 2.757 182 N HA 0.199 4.939 4.740 0.000 0.000 0.296 182 N C -2.180 173.345 175.510 0.025 0.000 1.874 182 N CA -0.748 52.302 53.050 -0.000 0.000 0.885 182 N CB 1.594 40.127 38.487 0.077 0.000 1.242 182 N HN 0.112 nan 8.380 nan 0.000 0.488 183 P HA -0.169 nan 4.420 nan 0.000 0.226 183 P C 0.608 177.917 177.300 0.014 0.000 1.153 183 P CA 1.150 64.252 63.100 0.002 0.000 0.777 183 P CB 0.424 32.118 31.700 -0.009 0.000 0.794 184 Q N -0.789 119.027 119.800 0.027 0.000 2.432 184 Q HA 0.131 4.471 4.340 0.000 0.000 0.205 184 Q C 0.751 176.775 176.000 0.040 0.000 0.945 184 Q CA 0.179 56.001 55.803 0.030 0.000 0.924 184 Q CB 0.004 28.763 28.738 0.034 0.000 1.016 184 Q HN 0.338 nan 8.270 nan 0.000 0.503 185 L N 1.422 122.679 121.223 0.057 0.000 2.325 185 L HA 0.257 4.597 4.340 0.000 0.000 0.279 185 L C 0.539 177.438 176.870 0.049 0.000 1.054 185 L CA -0.739 54.143 54.840 0.069 0.000 0.804 185 L CB 1.360 43.494 42.059 0.125 0.000 1.200 185 L HN 0.073 nan 8.230 nan 0.000 0.436 186 S N 1.464 117.186 115.700 0.037 0.000 2.600 186 S HA 0.102 4.572 4.470 0.000 0.000 0.265 186 S C 0.927 175.544 174.600 0.029 0.000 1.325 186 S CA -0.558 57.651 58.200 0.015 0.000 1.002 186 S CB 1.346 64.551 63.200 0.009 0.000 0.921 186 S HN 0.725 nan 8.310 nan 0.000 0.554 187 K N 0.596 120.984 120.400 -0.021 0.000 2.074 187 K HA -0.203 4.117 4.320 0.000 0.000 0.209 187 K C 1.749 178.405 176.600 0.093 0.000 1.048 187 K CA 2.008 58.275 56.287 -0.033 0.000 0.926 187 K CB -0.319 32.053 32.500 -0.212 0.000 0.713 187 K HN 0.707 nan 8.250 nan 0.000 0.444 188 E N 0.160 120.394 120.200 0.057 0.000 2.077 188 E HA -0.140 4.210 4.350 0.000 0.000 0.193 188 E C 1.812 178.458 176.600 0.076 0.000 0.989 188 E CA 1.340 57.788 56.400 0.079 0.000 0.800 188 E CB -0.263 29.462 29.700 0.043 0.000 0.746 188 E HN 0.442 nan 8.360 nan 0.000 0.452 189 A N 0.511 123.366 122.820 0.059 0.000 1.902 189 A HA -0.172 4.148 4.320 0.000 0.000 0.217 189 A C 2.243 179.848 177.584 0.035 0.000 1.181 189 A CA 1.304 53.364 52.037 0.038 0.000 0.623 189 A CB -0.651 18.372 19.000 0.038 0.000 0.818 189 A HN 0.210 nan 8.150 nan 0.000 0.443 190 I N -0.484 120.159 120.570 0.121 0.000 2.252 190 I HA -0.239 3.931 4.170 0.000 0.000 0.245 190 I C 2.446 178.650 176.117 0.145 0.000 1.102 190 I CA 1.443 62.857 61.300 0.189 0.000 1.385 190 I CB -0.424 37.787 38.000 0.352 0.000 1.064 190 I HN 0.406 nan 8.210 nan 0.000 0.414 191 E N 0.358 120.685 120.200 0.211 0.000 2.097 191 E HA -0.340 4.010 4.350 0.000 0.000 0.196 191 E C 2.145 178.766 176.600 0.035 0.000 1.000 191 E CA 1.491 57.980 56.400 0.147 0.000 0.804 191 E CB -0.208 29.622 29.700 0.216 0.000 0.740 191 E HN 0.525 nan 8.360 nan 0.000 0.454 192 Q N 0.747 120.556 119.800 0.016 0.000 2.119 192 Q HA -0.184 4.156 4.340 0.000 0.000 0.201 192 Q C 1.879 177.843 176.000 -0.059 0.000 0.972 192 Q CA 1.010 56.799 55.803 -0.023 0.000 0.847 192 Q CB 0.211 28.936 28.738 -0.022 0.000 0.903 192 Q HN 0.019 nan 8.270 nan 0.000 0.433 193 K N 0.547 120.865 120.400 -0.136 0.000 2.032 193 K HA -0.139 4.181 4.320 0.000 0.000 0.209 193 K C 2.190 178.787 176.600 -0.005 0.000 1.048 193 K CA 1.049 57.209 56.287 -0.210 0.000 0.927 193 K CB -0.433 31.478 32.500 -0.981 0.000 0.712 193 K HN 0.322 nan 8.250 nan 0.000 0.441 194 L N 0.327 121.518 121.223 -0.052 0.000 2.017 194 L HA -0.226 4.114 4.340 0.000 0.000 0.208 194 L C 2.804 179.649 176.870 -0.041 0.000 1.073 194 L CA 1.029 55.831 54.840 -0.064 0.000 0.745 194 L CB -0.644 41.323 42.059 -0.153 0.000 0.894 194 L HN 0.157 nan 8.230 nan 0.000 0.432 195 C N -0.045 119.227 119.300 -0.047 0.000 2.413 195 C HA -0.175 4.285 4.460 0.000 0.000 0.276 195 C C 2.468 177.412 174.990 -0.077 0.000 1.236 195 C CA 0.775 59.761 59.018 -0.053 0.000 1.735 195 C CB -0.781 26.933 27.740 -0.042 0.000 2.031 195 C HN 0.551 nan 8.230 nan 0.000 0.474 196 D N -0.908 119.430 120.400 -0.103 0.000 2.144 196 D HA -0.075 4.565 4.640 0.000 0.000 0.200 196 D C 1.688 177.736 176.300 -0.421 0.000 0.978 196 D CA 1.458 55.299 54.000 -0.266 0.000 0.833 196 D CB -0.274 40.320 40.800 -0.343 0.000 0.961 196 D HN 0.594 nan 8.370 nan 0.000 0.470 197 Y N -0.550 119.683 120.300 -0.111 0.000 2.503 197 Y HA 0.079 4.629 4.550 0.000 0.000 0.277 197 Y C 1.773 177.624 175.900 -0.081 0.000 1.102 197 Y CA 0.065 58.079 58.100 -0.143 0.000 1.261 197 Y CB 0.389 38.822 38.460 -0.045 0.000 1.096 197 Y HN -0.102 nan 8.280 nan 0.000 0.546 198 L N -0.290 120.978 121.223 0.074 0.000 2.477 198 L HA 0.082 4.423 4.340 0.000 0.000 0.220 198 L C 0.249 177.119 176.870 0.000 0.000 1.106 198 L CA 0.482 55.341 54.840 0.032 0.000 0.851 198 L CB -1.467 40.561 42.059 -0.053 0.000 0.994 198 L HN 0.308 nan 8.230 nan 0.000 0.462 199 N N 0.076 118.752 118.700 -0.039 0.000 2.663 199 N HA -0.134 4.606 4.740 0.000 0.000 0.263 199 N C -0.565 174.927 175.510 -0.031 0.000 1.109 199 N CA 0.391 53.417 53.050 -0.041 0.000 0.701 199 N CB -0.380 38.097 38.487 -0.017 0.000 0.879 199 N HN 0.138 nan 8.380 nan 0.000 0.550 200 V N -1.321 118.569 119.914 -0.040 0.000 3.102 200 V HA 0.669 4.789 4.120 0.000 0.000 0.312 200 V C 0.745 176.820 176.094 -0.031 0.000 1.135 200 V CA 0.068 62.347 62.300 -0.035 0.000 1.022 200 V CB 1.976 33.774 31.823 -0.041 0.000 1.056 200 V HN 0.408 nan 8.190 nan 0.000 0.436 201 E N 0.367 120.554 120.200 -0.021 0.000 2.572 201 E HA 0.356 4.706 4.350 0.000 0.000 0.220 201 E C 0.219 176.819 176.600 -0.001 0.000 0.945 201 E CA -0.461 55.932 56.400 -0.012 0.000 1.070 201 E CB 0.952 30.647 29.700 -0.008 0.000 1.090 201 E HN 0.649 nan 8.360 nan 0.000 0.506 202 K N 1.419 121.818 120.400 -0.002 0.000 2.471 202 K HA 0.394 4.714 4.320 0.000 0.000 0.252 202 K C -1.627 174.963 176.600 -0.015 0.000 0.938 202 K CA -0.734 55.559 56.287 0.010 0.000 0.796 202 K CB 2.439 34.955 32.500 0.027 0.000 1.161 202 K HN -0.060 nan 8.250 nan 0.000 0.425 203 V N 6.009 125.901 119.914 -0.038 0.000 2.347 203 V HA 0.338 4.458 4.120 0.000 0.000 0.280 203 V C -0.233 175.753 176.094 -0.180 0.000 1.021 203 V CA -0.803 61.389 62.300 -0.181 0.000 0.847 203 V CB 1.122 32.770 31.823 -0.291 0.000 0.990 203 V HN 0.670 nan 8.190 nan 0.000 0.444 204 L N 4.848 125.972 121.223 -0.165 0.000 2.257 204 L HA 0.415 4.755 4.340 0.000 0.000 0.290 204 L C -0.834 175.961 176.870 -0.124 0.000 1.044 204 L CA -0.145 54.663 54.840 -0.055 0.000 0.810 204 L CB 0.906 42.984 42.059 0.031 0.000 1.193 204 L HN 0.627 nan 8.230 nan 0.000 0.425 205 W N 5.142 126.469 121.300 0.044 0.000 2.308 205 W HA 0.475 5.135 4.660 0.000 0.000 0.311 205 W C -0.110 176.423 176.519 0.023 0.000 1.088 205 W CA -0.369 56.997 57.345 0.035 0.000 1.309 205 W CB 0.805 30.282 29.460 0.028 0.000 1.229 205 W HN 0.306 nan 8.180 nan 0.000 0.427 206 L N 2.736 124.098 121.223 0.231 0.000 2.468 206 L HA 0.512 4.852 4.340 0.000 0.000 0.254 206 L C 1.321 178.305 176.870 0.189 0.000 1.171 206 L CA -0.088 54.848 54.840 0.159 0.000 0.809 206 L CB 0.294 42.406 42.059 0.089 0.000 1.155 206 L HN 0.660 nan 8.230 nan 0.000 0.473 207 G N -0.330 108.539 108.800 0.115 0.000 2.549 207 G HA2 0.012 3.972 3.960 0.000 0.000 0.219 207 G HA3 0.012 3.972 3.960 0.000 0.000 0.219 207 G C -0.231 174.714 174.900 0.074 0.000 1.677 207 G CA -0.104 45.048 45.100 0.086 0.000 0.929 207 G HN 0.552 nan 8.290 nan 0.000 0.549 208 D N 0.675 121.103 120.400 0.047 0.000 2.302 208 D HA 0.497 5.137 4.640 0.000 0.000 0.248 208 D C 0.737 177.054 176.300 0.028 0.000 1.094 208 D CA 0.116 54.137 54.000 0.034 0.000 0.897 208 D CB 1.455 42.270 40.800 0.024 0.000 1.200 208 D HN 0.271 nan 8.370 nan 0.000 0.429 209 G N 0.038 108.849 108.800 0.018 0.000 2.532 209 G HA2 0.431 4.391 3.960 0.000 0.000 0.291 209 G HA3 0.431 4.391 3.960 0.000 0.000 0.291 209 G C 0.918 175.795 174.900 -0.038 0.000 1.349 209 G CA -0.588 44.504 45.100 -0.013 0.000 1.038 209 G HN 0.571 nan 8.290 nan 0.000 0.518 210 I N -2.860 117.649 120.570 -0.102 0.000 4.018 210 I HA 0.320 4.490 4.170 0.000 0.000 0.337 210 I C -0.246 175.827 176.117 -0.074 0.000 1.327 210 I CA -0.105 61.121 61.300 -0.123 0.000 1.100 210 I CB 0.653 38.379 38.000 -0.456 0.000 1.025 210 I HN 0.221 nan 8.210 nan 0.000 0.396 211 D N 1.383 121.726 120.400 -0.096 0.000 2.607 211 D HA 0.239 4.879 4.640 0.000 0.000 0.318 211 D C -1.919 174.321 176.300 -0.101 0.000 1.212 211 D CA -1.862 52.078 54.000 -0.099 0.000 0.861 211 D CB 0.653 41.353 40.800 -0.166 0.000 1.064 211 D HN 0.113 nan 8.370 nan 0.000 0.500 212 P HA -0.154 nan 4.420 nan 0.000 0.218 212 P C 0.957 178.211 177.300 -0.077 0.000 1.148 212 P CA 1.165 64.232 63.100 -0.055 0.000 0.822 212 P CB 0.511 32.196 31.700 -0.026 0.000 0.784 213 E N -0.418 119.732 120.200 -0.083 0.000 2.371 213 E HA -0.080 4.271 4.350 0.000 0.000 0.194 213 E C 1.742 178.253 176.600 -0.148 0.000 1.012 213 E CA 0.614 56.959 56.400 -0.092 0.000 0.860 213 E CB 0.123 29.782 29.700 -0.068 0.000 0.811 213 E HN 0.346 nan 8.360 nan 0.000 0.502 214 E N 0.965 121.040 120.200 -0.208 0.000 2.068 214 E HA -0.037 4.313 4.350 0.000 0.000 0.201 214 E C 1.735 178.065 176.600 -0.451 0.000 0.947 214 E CA 1.546 57.741 56.400 -0.342 0.000 0.909 214 E CB -0.082 29.394 29.700 -0.374 0.000 1.015 214 E HN 0.118 nan 8.360 nan 0.000 0.484 215 T N -1.500 112.746 114.554 -0.514 0.000 3.122 215 T HA 0.194 4.544 4.350 0.000 0.000 0.250 215 T C -0.100 174.429 174.700 -0.285 0.000 1.067 215 T CA 0.180 61.914 62.100 -0.609 0.000 0.966 215 T CB -0.440 67.745 68.868 -1.138 0.000 1.002 215 T HN 0.328 nan 8.240 nan 0.000 0.542 216 N N 1.460 120.052 118.700 -0.180 0.000 2.758 216 N HA -0.164 4.576 4.740 0.000 0.000 0.248 216 N C 0.684 176.177 175.510 -0.028 0.000 1.076 216 N CA 0.509 53.513 53.050 -0.077 0.000 0.696 216 N CB -1.692 36.772 38.487 -0.037 0.000 0.979 216 N HN 1.027 nan 8.380 nan 0.000 0.550 217 G N 0.240 109.005 108.800 -0.058 0.000 2.303 217 G HA2 -0.297 3.663 3.960 0.000 0.000 0.260 217 G HA3 -0.297 3.663 3.960 0.000 0.000 0.260 217 G C -0.094 174.852 174.900 0.077 0.000 1.106 217 G CA 0.160 45.256 45.100 -0.007 0.000 0.900 217 G HN 0.810 nan 8.290 nan 0.000 0.495 218 H N -0.988 118.043 119.070 -0.066 0.000 3.094 218 H HA 0.124 4.680 4.556 0.000 0.000 0.320 218 H C 1.686 176.972 175.328 -0.069 0.000 1.000 218 H CA 0.285 56.297 56.048 -0.061 0.000 1.413 218 H CB 1.527 31.248 29.762 -0.068 0.000 1.405 218 H HN 0.149 nan 8.280 nan 0.000 0.586 219 V N 3.467 123.378 119.914 -0.005 0.000 2.568 219 V HA -0.253 3.867 4.120 0.000 0.000 0.253 219 V C 1.795 177.872 176.094 -0.029 0.000 1.072 219 V CA 2.370 64.654 62.300 -0.025 0.000 1.084 219 V CB -0.340 31.462 31.823 -0.034 0.000 0.676 219 V HN 0.892 nan 8.190 nan 0.000 0.469 220 D N -1.512 118.837 120.400 -0.084 0.000 2.378 220 D HA -0.132 4.508 4.640 0.000 0.000 0.227 220 D C 1.296 177.565 176.300 -0.052 0.000 1.012 220 D CA 0.822 54.778 54.000 -0.074 0.000 0.905 220 D CB -0.383 40.348 40.800 -0.116 0.000 0.895 220 D HN 0.440 nan 8.370 nan 0.000 0.532 221 D N -0.492 119.884 120.400 -0.041 0.000 2.349 221 D HA 0.066 4.707 4.640 0.000 0.000 0.214 221 D C 1.622 177.856 176.300 -0.111 0.000 1.063 221 D CA 0.126 54.074 54.000 -0.087 0.000 0.847 221 D CB 1.265 41.978 40.800 -0.144 0.000 0.933 221 D HN 0.185 nan 8.370 nan 0.000 0.513 222 V N -0.220 119.651 119.914 -0.071 0.000 2.996 222 V HA 0.480 4.600 4.120 0.000 0.000 0.235 222 V C 0.538 176.621 176.094 -0.019 0.000 1.205 222 V CA 0.470 62.739 62.300 -0.052 0.000 1.225 222 V CB 0.750 32.550 31.823 -0.038 0.000 0.995 222 V HN 0.131 nan 8.190 nan 0.000 0.484 223 A N -0.474 122.326 122.820 -0.032 0.000 2.604 223 A HA 0.755 5.075 4.320 0.000 0.000 0.295 223 A C -1.022 176.483 177.584 -0.132 0.000 1.067 223 A CA 0.028 52.026 52.037 -0.064 0.000 0.683 223 A CB 1.545 20.505 19.000 -0.066 0.000 1.281 223 A HN 0.863 nan 8.150 nan 0.000 0.407 224 C N -1.288 117.850 119.300 -0.270 0.000 3.332 224 C HA 0.899 5.359 4.460 0.000 0.000 0.329 224 C C -1.281 173.463 174.990 -0.410 0.000 1.434 224 C CA -1.225 57.467 59.018 -0.543 0.000 1.314 224 C CB 0.280 27.501 27.740 -0.865 0.000 1.664 224 C HN 0.804 nan 8.230 nan 0.000 0.457 225 F N 1.930 121.785 119.950 -0.159 0.000 2.411 225 F HA 0.488 5.015 4.527 0.000 0.000 0.350 225 F C 1.448 177.354 175.800 0.177 0.000 1.114 225 F CA -0.622 57.426 58.000 0.080 0.000 1.135 225 F CB 1.266 40.432 39.000 0.277 0.000 1.120 225 F HN 0.724 nan 8.300 nan 0.000 0.495 226 I N 0.468 121.139 120.570 0.169 0.000 3.035 226 I HA 0.567 4.737 4.170 0.000 0.000 0.271 226 I C 0.616 176.517 176.117 -0.359 0.000 1.190 226 I CA 0.312 61.611 61.300 -0.001 0.000 1.472 226 I CB 0.112 37.791 38.000 -0.535 0.000 1.116 226 I HN 0.438 nan 8.210 nan 0.000 0.443 227 A N 0.484 122.968 122.820 -0.559 0.000 2.566 227 A HA 0.654 4.974 4.320 0.000 0.000 0.290 227 A C -2.968 174.338 177.584 -0.463 0.000 1.071 227 A CA -1.068 50.348 52.037 -1.035 0.000 0.658 227 A CB 0.024 18.691 19.000 -0.554 0.000 1.285 227 A HN -0.085 nan 8.150 nan 0.000 0.427 228 P HA 0.333 nan 4.420 nan 0.000 0.263 228 P C 1.009 178.301 177.300 -0.012 0.000 1.195 228 P CA 2.313 65.375 63.100 -0.064 0.000 0.762 228 P CB 0.547 32.235 31.700 -0.019 0.000 0.799 229 G N 1.959 110.810 108.800 0.086 0.000 2.179 229 G HA2 -0.228 3.733 3.960 0.000 0.000 0.260 229 G HA3 -0.228 3.733 3.960 0.000 0.000 0.260 229 G C -0.190 174.784 174.900 0.123 0.000 0.977 229 G CA -0.221 44.944 45.100 0.108 0.000 0.641 229 G HN 0.579 nan 8.290 nan 0.000 0.533 230 E N -0.328 119.958 120.200 0.144 0.000 2.256 230 E HA 0.563 4.913 4.350 0.000 0.000 0.268 230 E C -0.142 176.522 176.600 0.106 0.000 0.877 230 E CA -0.601 55.862 56.400 0.104 0.000 0.757 230 E CB 2.869 32.562 29.700 -0.012 0.000 1.183 230 E HN 0.726 nan 8.360 nan 0.000 0.418 231 V N -1.255 118.693 119.914 0.057 0.000 2.960 231 V HA 0.936 5.057 4.120 0.000 0.000 0.315 231 V C -0.405 175.702 176.094 0.021 0.000 1.087 231 V CA -0.999 61.255 62.300 -0.076 0.000 0.982 231 V CB 1.667 33.351 31.823 -0.231 0.000 1.039 231 V HN 0.731 nan 8.190 nan 0.000 0.437 232 A N 1.644 124.459 122.820 -0.008 0.000 2.324 232 A HA 0.851 5.171 4.320 0.000 0.000 0.330 232 A C -0.399 177.230 177.584 0.076 0.000 1.165 232 A CA -0.350 51.740 52.037 0.088 0.000 0.813 232 A CB 1.235 20.327 19.000 0.155 0.000 1.197 232 A HN 1.701 nan 8.150 nan 0.000 0.484 233 C N 3.720 123.105 119.300 0.143 0.000 2.698 233 C HA 0.672 5.132 4.460 0.000 0.000 0.309 233 C C 0.004 175.095 174.990 0.168 0.000 1.186 233 C CA -0.984 58.123 59.018 0.148 0.000 1.474 233 C CB 0.021 27.900 27.740 0.231 0.000 2.020 233 C HN 0.963 nan 8.230 nan 0.000 0.474 234 I N 2.899 123.554 120.570 0.140 0.000 2.836 234 I HA 0.471 4.641 4.170 0.000 0.000 0.285 234 I C -0.902 175.326 176.117 0.185 0.000 1.174 234 I CA 0.173 61.569 61.300 0.160 0.000 1.405 234 I CB 0.547 38.611 38.000 0.106 0.000 1.385 234 I HN 0.797 nan 8.210 nan 0.000 0.594 235 Y N 3.357 123.679 120.300 0.036 0.000 2.519 235 Y HA 0.566 5.116 4.550 0.000 0.000 0.336 235 Y C -0.849 175.076 175.900 0.042 0.000 1.089 235 Y CA -0.486 57.592 58.100 -0.037 0.000 1.025 235 Y CB 2.033 40.401 38.460 -0.153 0.000 1.318 235 Y HN 0.929 nan 8.280 nan 0.000 0.452 236 T N 4.078 118.243 114.554 -0.649 0.000 3.012 236 T HA 0.298 4.648 4.350 0.000 0.000 0.330 236 T C -0.611 173.820 174.700 -0.448 0.000 1.321 236 T CA -0.467 61.402 62.100 -0.385 0.000 1.067 236 T CB 1.555 70.411 68.868 -0.020 0.000 1.235 236 T HN 0.863 nan 8.240 nan 0.000 0.479 237 E N 1.491 121.550 120.200 -0.235 0.000 2.481 237 E HA 0.089 4.439 4.350 0.000 0.000 0.198 237 E C -0.408 176.168 176.600 -0.041 0.000 1.027 237 E CA -0.239 56.132 56.400 -0.049 0.000 0.900 237 E CB 0.408 30.105 29.700 -0.006 0.000 0.993 237 E HN 0.504 nan 8.360 nan 0.000 0.482 238 D N 1.676 122.046 120.400 -0.050 0.000 2.348 238 D HA -0.023 4.617 4.640 0.000 0.000 0.259 238 D C 0.686 176.806 176.300 -0.301 0.000 1.296 238 D CA 0.376 54.299 54.000 -0.127 0.000 0.931 238 D CB 0.723 41.476 40.800 -0.079 0.000 1.067 238 D HN 0.037 nan 8.370 nan 0.000 0.503 239 Q N 2.358 121.824 119.800 -0.557 0.000 2.364 239 Q HA -0.057 4.283 4.340 0.000 0.000 0.207 239 Q C 0.718 176.413 176.000 -0.508 0.000 0.970 239 Q CA 0.600 55.793 55.803 -1.016 0.000 0.888 239 Q CB 0.279 28.550 28.738 -0.778 0.000 0.951 239 Q HN 0.439 nan 8.270 nan 0.000 0.469 240 N N 0.012 118.543 118.700 -0.282 0.000 2.336 240 N HA -0.008 4.732 4.740 0.000 0.000 0.189 240 N C 0.091 175.519 175.510 -0.137 0.000 1.113 240 N CA 0.144 53.092 53.050 -0.170 0.000 0.858 240 N CB 0.501 38.907 38.487 -0.136 0.000 0.970 240 N HN -0.035 nan 8.380 nan 0.000 0.471 241 S N 2.371 117.991 115.700 -0.132 0.000 2.533 241 S HA 0.104 4.574 4.470 0.000 0.000 0.282 241 S C -1.125 173.407 174.600 -0.113 0.000 1.304 241 S CA -1.215 56.894 58.200 -0.152 0.000 1.063 241 S CB 0.975 64.108 63.200 -0.111 0.000 0.881 241 S HN 0.083 nan 8.310 nan 0.000 0.493 242 P HA -0.082 nan 4.420 nan 0.000 0.221 242 P C 0.639 178.019 177.300 0.133 0.000 1.145 242 P CA 1.172 64.211 63.100 -0.100 0.000 0.795 242 P CB -0.074 31.515 31.700 -0.186 0.000 0.775 243 F N -2.698 117.268 119.950 0.026 0.000 2.776 243 F HA 0.102 4.629 4.527 0.000 0.000 0.300 243 F C 2.353 178.172 175.800 0.031 0.000 1.116 243 F CA -1.175 56.835 58.000 0.017 0.000 1.375 243 F CB -1.777 37.223 39.000 0.001 0.000 1.109 243 F HN -0.122 nan 8.300 nan 0.000 0.585 244 Y N 1.688 122.042 120.300 0.090 0.000 2.070 244 Y HA -0.240 4.310 4.550 0.000 0.000 0.280 244 Y C 2.358 178.271 175.900 0.022 0.000 1.148 244 Y CA 2.126 60.235 58.100 0.016 0.000 1.125 244 Y CB -0.384 38.056 38.460 -0.034 0.000 0.975 244 Y HN 0.050 nan 8.280 nan 0.000 0.492 245 E N -0.104 120.098 120.200 0.003 0.000 2.085 245 E HA -0.252 4.098 4.350 0.000 0.000 0.194 245 E C 2.331 178.880 176.600 -0.085 0.000 0.994 245 E CA 1.061 57.412 56.400 -0.082 0.000 0.801 245 E CB -0.377 29.359 29.700 0.060 0.000 0.743 245 E HN 0.600 nan 8.360 nan 0.000 0.453 246 A N 1.428 124.242 122.820 -0.010 0.000 1.877 246 A HA -0.127 4.193 4.320 0.000 0.000 0.216 246 A C 2.388 179.962 177.584 -0.018 0.000 1.186 246 A CA 1.861 53.898 52.037 0.001 0.000 0.620 246 A CB -0.588 18.427 19.000 0.025 0.000 0.822 246 A HN 0.305 nan 8.150 nan 0.000 0.443 247 A N -1.189 121.613 122.820 -0.031 0.000 1.902 247 A HA -0.178 4.142 4.320 0.000 0.000 0.217 247 A C 2.149 179.702 177.584 -0.052 0.000 1.181 247 A CA 1.612 53.633 52.037 -0.028 0.000 0.623 247 A CB -0.486 18.500 19.000 -0.023 0.000 0.818 247 A HN 0.522 nan 8.150 nan 0.000 0.443 248 Q N -0.469 119.209 119.800 -0.203 0.000 2.084 248 Q HA -0.212 4.128 4.340 0.000 0.000 0.202 248 Q C 1.731 177.721 176.000 -0.016 0.000 0.978 248 Q CA 1.954 57.651 55.803 -0.177 0.000 0.844 248 Q CB -0.453 28.024 28.738 -0.434 0.000 0.898 248 Q HN 0.801 nan 8.270 nan 0.000 0.426 249 D N 0.076 120.457 120.400 -0.032 0.000 2.123 249 D HA -0.058 4.583 4.640 0.000 0.000 0.200 249 D C 1.777 178.103 176.300 0.043 0.000 0.976 249 D CA 1.249 55.255 54.000 0.010 0.000 0.831 249 D CB 0.057 40.859 40.800 0.003 0.000 0.974 249 D HN 0.199 nan 8.370 nan 0.000 0.469 250 A N -0.480 122.372 122.820 0.053 0.000 1.877 250 A HA -0.197 4.123 4.320 0.000 0.000 0.216 250 A C 2.205 179.846 177.584 0.095 0.000 1.186 250 A CA 1.546 53.622 52.037 0.065 0.000 0.620 250 A CB -1.325 17.711 19.000 0.061 0.000 0.822 250 A HN 0.511 nan 8.150 nan 0.000 0.443 251 Y N 0.489 120.796 120.300 0.012 0.000 2.181 251 Y HA -0.228 4.322 4.550 0.000 0.000 0.288 251 Y C 2.527 178.440 175.900 0.021 0.000 1.146 251 Y CA 2.293 60.411 58.100 0.030 0.000 1.164 251 Y CB -0.404 38.102 38.460 0.078 0.000 0.982 251 Y HN 0.447 nan 8.280 nan 0.000 0.515 252 Q N -0.380 119.438 119.800 0.030 0.000 2.079 252 Q HA -0.174 4.166 4.340 0.000 0.000 0.200 252 Q C 2.371 178.330 176.000 -0.069 0.000 0.974 252 Q CA 1.489 57.264 55.803 -0.047 0.000 0.840 252 Q CB -0.167 28.588 28.738 0.029 0.000 0.898 252 Q HN 0.457 nan 8.270 nan 0.000 0.430 253 R N 0.341 120.826 120.500 -0.026 0.000 2.083 253 R HA -0.133 4.208 4.340 0.000 0.000 0.237 253 R C 2.314 178.588 176.300 -0.044 0.000 1.137 253 R CA 1.195 57.286 56.100 -0.014 0.000 0.951 253 R CB -0.404 29.909 30.300 0.022 0.000 0.851 253 R HN 0.257 nan 8.270 nan 0.000 0.434 254 L N 0.710 121.887 121.223 -0.077 0.000 2.083 254 L HA -0.170 4.170 4.340 0.000 0.000 0.209 254 L C 2.281 179.063 176.870 -0.147 0.000 1.083 254 L CA 0.997 55.777 54.840 -0.100 0.000 0.752 254 L CB -0.358 41.637 42.059 -0.106 0.000 0.899 254 L HN 0.219 nan 8.230 nan 0.000 0.433 255 L N -0.430 120.648 121.223 -0.241 0.000 2.353 255 L HA -0.186 4.155 4.340 0.000 0.000 0.220 255 L C 1.954 178.753 176.870 -0.117 0.000 1.133 255 L CA 1.155 55.856 54.840 -0.231 0.000 0.798 255 L CB -0.293 41.580 42.059 -0.310 0.000 0.922 255 L HN 0.246 nan 8.230 nan 0.000 0.445 256 K N -0.927 119.425 120.400 -0.080 0.000 2.358 256 K HA 0.253 4.573 4.320 0.000 0.000 0.200 256 K C 0.255 176.846 176.600 -0.016 0.000 1.030 256 K CA -0.127 56.137 56.287 -0.039 0.000 1.097 256 K CB 0.586 33.071 32.500 -0.024 0.000 0.862 256 K HN 0.182 nan 8.250 nan 0.000 0.534 257 M N 1.361 120.952 119.600 -0.016 0.000 2.318 257 M HA 0.121 4.601 4.480 0.000 0.000 0.347 257 M C 0.008 176.322 176.300 0.023 0.000 1.175 257 M CA -0.380 54.928 55.300 0.013 0.000 1.075 257 M CB 1.753 34.366 32.600 0.021 0.000 1.614 257 M HN -0.024 nan 8.290 nan 0.000 0.456 258 T N -1.427 113.149 114.554 0.037 0.000 2.855 258 T HA 0.550 4.900 4.350 0.000 0.000 0.281 258 T C -0.556 174.183 174.700 0.065 0.000 1.007 258 T CA -1.163 60.964 62.100 0.044 0.000 1.009 258 T CB 1.198 70.084 68.868 0.031 0.000 0.983 258 T HN 0.668 nan 8.240 nan 0.000 0.455 259 D N 1.902 122.350 120.400 0.080 0.000 2.414 259 D HA 0.410 5.050 4.640 0.000 0.000 0.259 259 D C 1.644 177.974 176.300 0.050 0.000 1.269 259 D CA -0.336 53.718 54.000 0.089 0.000 1.028 259 D CB -0.042 40.822 40.800 0.107 0.000 1.093 259 D HN 0.609 nan 8.370 nan 0.000 0.545 260 A N -0.727 122.114 122.820 0.034 0.000 2.015 260 A HA -0.143 4.177 4.320 0.000 0.000 0.219 260 A C 1.735 179.327 177.584 0.013 0.000 1.163 260 A CA 1.023 53.072 52.037 0.018 0.000 0.646 260 A CB -0.578 18.424 19.000 0.004 0.000 0.806 260 A HN 0.502 nan 8.150 nan 0.000 0.448 261 K N -1.195 119.213 120.400 0.013 0.000 2.458 261 K HA 0.200 4.520 4.320 0.000 0.000 0.194 261 K C 0.993 177.601 176.600 0.014 0.000 1.024 261 K CA 0.524 56.817 56.287 0.010 0.000 1.108 261 K CB 0.013 32.517 32.500 0.006 0.000 0.846 261 K HN 0.642 nan 8.250 nan 0.000 0.518 262 G N 2.337 111.149 108.800 0.020 0.000 2.159 262 G HA2 -0.306 3.654 3.960 0.000 0.000 0.256 262 G HA3 -0.306 3.654 3.960 0.000 0.000 0.256 262 G C -0.131 174.781 174.900 0.020 0.000 0.977 262 G CA -0.114 44.997 45.100 0.019 0.000 0.652 262 G HN 0.305 nan 8.290 nan 0.000 0.531 263 R N 0.165 120.680 120.500 0.025 0.000 2.389 263 R HA 0.382 4.723 4.340 0.000 0.000 0.295 263 R C 0.549 176.867 176.300 0.030 0.000 1.075 263 R CA -0.461 55.654 56.100 0.025 0.000 1.005 263 R CB 0.559 30.876 30.300 0.029 0.000 0.987 263 R HN 0.296 nan 8.270 nan 0.000 0.452 264 Q N 2.900 122.710 119.800 0.018 0.000 2.255 264 Q HA 0.030 4.370 4.340 0.000 0.000 0.280 264 Q C -0.695 175.316 176.000 0.018 0.000 1.068 264 Q CA 0.320 56.130 55.803 0.011 0.000 0.911 264 Q CB 0.471 29.206 28.738 -0.004 0.000 1.157 264 Q HN 0.450 nan 8.270 nan 0.000 0.380 265 L N 4.009 125.246 121.223 0.023 0.000 2.455 265 L HA 0.104 4.444 4.340 0.000 0.000 0.272 265 L C 0.490 177.361 176.870 0.002 0.000 1.174 265 L CA 0.162 55.023 54.840 0.035 0.000 0.869 265 L CB 0.341 42.420 42.059 0.033 0.000 1.130 265 L HN 0.566 nan 8.230 nan 0.000 0.474 266 K N 3.098 123.512 120.400 0.024 0.000 2.248 266 K HA 0.416 4.736 4.320 0.000 0.000 0.281 266 K C -1.149 175.466 176.600 0.026 0.000 1.054 266 K CA -0.568 55.714 56.287 -0.008 0.000 0.903 266 K CB 1.083 33.588 32.500 0.009 0.000 1.077 266 K HN 0.357 nan 8.250 nan 0.000 0.474 267 V N 5.557 125.444 119.914 -0.045 0.000 2.347 267 V HA 0.209 4.329 4.120 0.000 0.000 0.280 267 V C -0.276 175.831 176.094 0.021 0.000 1.021 267 V CA -0.772 61.547 62.300 0.033 0.000 0.847 267 V CB 0.912 32.715 31.823 -0.033 0.000 0.990 267 V HN 0.781 nan 8.190 nan 0.000 0.444 268 H N 3.942 123.033 119.070 0.035 0.000 2.519 268 H HA 0.376 4.932 4.556 0.000 0.000 0.316 268 H C -0.252 175.102 175.328 0.043 0.000 1.065 268 H CA -0.698 55.358 56.048 0.012 0.000 1.264 268 H CB 1.692 31.428 29.762 -0.043 0.000 1.413 268 H HN 0.554 nan 8.280 nan 0.000 0.465 269 K N 2.480 122.927 120.400 0.078 0.000 2.326 269 K HA 0.209 4.529 4.320 0.000 0.000 0.275 269 K C -0.497 176.146 176.600 0.071 0.000 1.018 269 K CA -0.450 55.843 56.287 0.010 0.000 0.962 269 K CB 0.952 33.304 32.500 -0.247 0.000 0.953 269 K HN 0.200 nan 8.250 nan 0.000 0.475 270 L N 3.897 125.199 121.223 0.132 0.000 2.385 270 L HA 0.306 4.646 4.340 0.000 0.000 0.273 270 L C -0.338 176.666 176.870 0.222 0.000 0.990 270 L CA -0.623 54.317 54.840 0.167 0.000 0.821 270 L CB 0.905 43.102 42.059 0.229 0.000 1.279 270 L HN 0.949 nan 8.230 nan 0.000 0.412 271 C N 1.660 121.084 119.300 0.207 0.000 2.705 271 C HA 0.656 5.116 4.460 0.000 0.000 0.365 271 C C 0.647 175.887 174.990 0.417 0.000 1.353 271 C CA -0.915 58.265 59.018 0.270 0.000 2.339 271 C CB -0.348 27.506 27.740 0.189 0.000 2.576 271 C HN 0.916 nan 8.230 nan 0.000 0.716 272 C N 1.177 120.715 119.300 0.396 0.000 2.667 272 C HA 0.710 5.170 4.460 0.000 0.000 0.323 272 C C -2.385 172.846 174.990 0.402 0.000 1.214 272 C CA -0.757 58.509 59.018 0.414 0.000 1.721 272 C CB 1.101 29.049 27.740 0.347 0.000 2.275 272 C HN 0.752 nan 8.230 nan 0.000 0.491 273 P HA 0.094 nan 4.420 nan 0.000 0.268 273 P C 0.564 177.931 177.300 0.111 0.000 1.205 273 P CA 0.217 63.441 63.100 0.207 0.000 0.771 273 P CB 0.421 32.111 31.700 -0.016 0.000 0.858 274 V N 2.054 122.037 119.914 0.114 0.000 2.379 274 V HA -0.137 3.983 4.120 0.000 0.000 0.245 274 V C 1.176 177.267 176.094 -0.004 0.000 1.044 274 V CA 1.702 64.033 62.300 0.052 0.000 1.036 274 V CB -0.713 31.148 31.823 0.063 0.000 0.664 274 V HN 0.516 nan 8.190 nan 0.000 0.453 275 K N 0.674 121.077 120.400 0.005 0.000 2.138 275 K HA 0.287 4.607 4.320 0.000 0.000 0.263 275 K C -0.245 176.319 176.600 -0.060 0.000 0.965 275 K CA -0.642 55.631 56.287 -0.022 0.000 0.868 275 K CB 0.777 33.285 32.500 0.013 0.000 1.083 275 K HN 0.141 nan 8.250 nan 0.000 0.443 276 N N 1.380 120.027 118.700 -0.089 0.000 2.454 276 N HA 0.033 4.773 4.740 0.000 0.000 0.254 276 N C -0.930 174.554 175.510 -0.043 0.000 1.228 276 N CA -0.084 52.901 53.050 -0.108 0.000 0.900 276 N CB 0.843 39.265 38.487 -0.109 0.000 1.089 276 N HN 0.185 nan 8.380 nan 0.000 0.449 277 V N 1.602 121.495 119.914 -0.036 0.000 2.465 277 V HA 0.393 4.513 4.120 0.000 0.000 0.279 277 V C 0.577 176.722 176.094 0.086 0.000 1.045 277 V CA -0.470 61.865 62.300 0.058 0.000 0.938 277 V CB 1.095 32.947 31.823 0.048 0.000 0.986 277 V HN 0.837 nan 8.190 nan 0.000 0.467 278 T N 2.808 117.426 114.554 0.106 0.000 2.893 278 T HA 0.626 4.976 4.350 0.000 0.000 0.291 278 T C -0.440 174.232 174.700 -0.047 0.000 1.028 278 T CA -0.836 61.281 62.100 0.028 0.000 0.995 278 T CB 1.499 70.338 68.868 -0.049 0.000 1.051 278 T HN 0.237 nan 8.240 nan 0.000 0.470 279 I N 2.644 123.151 120.570 -0.105 0.000 2.683 279 I HA 0.135 4.305 4.170 0.000 0.000 0.286 279 I C 0.948 176.717 176.117 -0.580 0.000 1.175 279 I CA 0.101 61.196 61.300 -0.341 0.000 1.429 279 I CB -0.008 37.916 38.000 -0.125 0.000 1.371 279 I HN 0.702 nan 8.210 nan 0.000 0.569 280 K N 3.890 123.533 120.400 -1.262 0.000 2.087 280 K HA 0.595 4.915 4.320 0.000 0.000 0.255 280 K C 0.773 177.028 176.600 -0.575 0.000 0.988 280 K CA -0.012 55.715 56.287 -0.934 0.000 0.915 280 K CB 1.179 33.004 32.500 -1.125 0.000 1.043 280 K HN 0.853 nan 8.250 nan 0.000 0.457 281 G N 0.647 109.277 108.800 -0.284 0.000 2.596 281 G HA2 -0.377 3.583 3.960 0.000 0.000 0.258 281 G HA3 -0.377 3.583 3.960 0.000 0.000 0.258 281 G C 0.919 175.747 174.900 -0.119 0.000 1.207 281 G CA 0.319 45.290 45.100 -0.215 0.000 0.954 281 G HN 0.673 nan 8.290 nan 0.000 0.551 282 S N 0.605 116.263 115.700 -0.070 0.000 2.465 282 S HA 0.130 4.600 4.470 0.000 0.000 0.241 282 S C 1.208 175.953 174.600 0.241 0.000 1.000 282 S CA 0.970 59.220 58.200 0.083 0.000 0.964 282 S CB -0.495 62.781 63.200 0.128 0.000 0.763 282 S HN 0.627 nan 8.310 nan 0.000 0.512 283 F N 2.397 122.316 119.950 -0.052 0.000 2.578 283 F HA 0.182 4.709 4.527 0.000 0.000 0.376 283 F C 0.856 176.648 175.800 -0.014 0.000 1.085 283 F CA -0.631 57.337 58.000 -0.052 0.000 1.260 283 F CB 0.511 39.442 39.000 -0.115 0.000 1.095 283 F HN -0.031 nan 8.300 nan 0.000 0.573 284 K N 6.560 127.053 120.400 0.155 0.000 2.290 284 K HA 0.468 4.788 4.320 0.000 0.000 0.250 284 K C -0.667 175.986 176.600 0.088 0.000 1.092 284 K CA -0.028 56.319 56.287 0.100 0.000 1.006 284 K CB 0.886 33.427 32.500 0.068 0.000 1.549 284 K HN 0.539 nan 8.250 nan 0.000 0.436 285 I N 1.529 122.162 120.570 0.105 0.000 2.498 285 I HA 0.160 4.330 4.170 0.000 0.000 0.290 285 I C -0.271 175.908 176.117 0.104 0.000 1.032 285 I CA -1.029 60.330 61.300 0.097 0.000 1.073 285 I CB 2.115 40.178 38.000 0.106 0.000 1.251 285 I HN 0.209 nan 8.210 nan 0.000 0.426 286 D N 4.543 124.996 120.400 0.089 0.000 2.414 286 D HA 0.130 4.770 4.640 0.000 0.000 0.242 286 D C -0.672 175.706 176.300 0.131 0.000 1.129 286 D CA 0.307 54.366 54.000 0.099 0.000 0.885 286 D CB 0.847 41.683 40.800 0.060 0.000 1.198 286 D HN 0.209 nan 8.370 nan 0.000 0.437 287 F N 2.174 122.145 119.950 0.035 0.000 2.410 287 F HA 0.443 4.970 4.527 0.000 0.000 0.349 287 F C -0.894 174.931 175.800 0.042 0.000 1.117 287 F CA -0.527 57.494 58.000 0.035 0.000 1.104 287 F CB 0.827 39.843 39.000 0.027 0.000 1.122 287 F HN 0.012 nan 8.300 nan 0.000 0.483 288 V N 5.228 124.599 119.914 -0.905 0.000 2.569 288 V HA 0.201 4.321 4.120 0.000 0.000 0.301 288 V C -0.629 174.934 176.094 -0.885 0.000 1.044 288 V CA -0.979 60.929 62.300 -0.653 0.000 0.874 288 V CB 1.535 33.212 31.823 -0.243 0.000 1.002 288 V HN 0.692 nan 8.190 nan 0.000 0.424 289 E N 3.073 122.901 120.200 -0.620 0.000 2.480 289 E HA 0.402 4.752 4.350 0.000 0.000 0.258 289 E C 1.170 177.691 176.600 -0.131 0.000 0.984 289 E CA 1.716 57.943 56.400 -0.289 0.000 0.930 289 E CB 0.469 30.165 29.700 -0.007 0.000 0.936 289 E HN 1.048 nan 8.360 nan 0.000 0.466 290 G N 3.290 112.051 108.800 -0.065 0.000 2.254 290 G HA2 -0.232 3.728 3.960 0.000 0.000 0.225 290 G HA3 -0.232 3.728 3.960 0.000 0.000 0.225 290 G C 0.368 175.313 174.900 0.076 0.000 1.003 290 G CA 0.163 45.283 45.100 0.034 0.000 0.622 290 G HN 0.656 nan 8.290 nan 0.000 0.507 291 T N 2.296 116.843 114.554 -0.011 0.000 2.799 291 T HA 0.546 4.896 4.350 0.000 0.000 0.286 291 T C 0.459 175.167 174.700 0.014 0.000 0.973 291 T CA 0.025 62.156 62.100 0.051 0.000 1.035 291 T CB 1.424 70.292 68.868 0.001 0.000 0.932 291 T HN 0.534 nan 8.240 nan 0.000 0.469 292 M N 6.109 125.745 119.600 0.059 0.000 2.409 292 M HA 0.105 4.585 4.480 0.000 0.000 0.376 292 M C -2.421 173.908 176.300 0.048 0.000 1.631 292 M CA -1.634 53.686 55.300 0.033 0.000 0.987 292 M CB -0.384 32.209 32.600 -0.012 0.000 2.090 292 M HN 0.191 nan 8.290 nan 0.000 0.474 293 P HA 0.167 nan 4.420 nan 0.000 0.271 293 P C -1.080 176.276 177.300 0.093 0.000 1.218 293 P CA 0.071 63.279 63.100 0.180 0.000 0.780 293 P CB 0.520 32.373 31.700 0.255 0.000 0.901 294 R N 2.620 123.179 120.500 0.098 0.000 2.287 294 R HA 0.346 4.686 4.340 0.000 0.000 0.316 294 R C -0.064 176.266 176.300 0.050 0.000 1.050 294 R CA -0.251 55.886 56.100 0.061 0.000 0.983 294 R CB 0.497 30.838 30.300 0.067 0.000 1.140 294 R HN 0.563 nan 8.270 nan 0.000 0.528 295 E N 0.620 120.829 120.200 0.016 0.000 2.221 295 E HA 0.118 4.468 4.350 0.000 0.000 0.268 295 E C -0.865 175.700 176.600 -0.059 0.000 0.933 295 E CA -0.932 55.459 56.400 -0.015 0.000 0.809 295 E CB 1.711 31.401 29.700 -0.017 0.000 1.190 295 E HN 0.271 nan 8.360 nan 0.000 0.406 296 D N 0.103 120.453 120.400 -0.083 0.000 2.531 296 D HA 0.088 4.728 4.640 0.000 0.000 0.239 296 D C 0.925 177.164 176.300 -0.101 0.000 1.144 296 D CA 2.005 55.931 54.000 -0.123 0.000 0.869 296 D CB 0.228 40.961 40.800 -0.112 0.000 1.160 296 D HN 0.603 nan 8.370 nan 0.000 0.484 297 G N 3.115 111.845 108.800 -0.117 0.000 2.195 297 G HA2 -0.270 3.690 3.960 0.000 0.000 0.246 297 G HA3 -0.270 3.690 3.960 0.000 0.000 0.246 297 G C 0.024 174.886 174.900 -0.063 0.000 0.984 297 G CA 0.051 45.099 45.100 -0.086 0.000 0.633 297 G HN 0.653 nan 8.290 nan 0.000 0.525 298 D N 0.724 121.091 120.400 -0.055 0.000 2.487 298 D HA 0.278 4.918 4.640 0.000 0.000 0.243 298 D C 1.136 177.428 176.300 -0.014 0.000 1.154 298 D CA 0.306 54.289 54.000 -0.028 0.000 0.876 298 D CB 0.440 41.232 40.800 -0.013 0.000 1.161 298 D HN 0.409 nan 8.370 nan 0.000 0.478 299 I N 3.050 123.612 120.570 -0.013 0.000 2.452 299 I HA 0.027 4.197 4.170 0.000 0.000 0.287 299 I C 0.301 176.436 176.117 0.029 0.000 1.079 299 I CA -0.385 60.911 61.300 -0.005 0.000 1.387 299 I CB 0.382 38.363 38.000 -0.032 0.000 1.404 299 I HN 0.212 nan 8.210 nan 0.000 0.522 300 C N 5.821 125.155 119.300 0.056 0.000 2.463 300 C HA 0.446 4.906 4.460 0.000 0.000 0.380 300 C C 1.189 176.213 174.990 0.057 0.000 1.264 300 C CA -0.809 58.254 59.018 0.076 0.000 2.161 300 C CB 0.508 28.343 27.740 0.158 0.000 2.515 300 C HN 0.663 nan 8.230 nan 0.000 0.565 301 I N 1.944 122.535 120.570 0.035 0.000 2.270 301 I HA 0.561 4.731 4.170 0.000 0.000 0.300 301 I C 0.912 176.987 176.117 -0.071 0.000 1.186 301 I CA -0.047 61.274 61.300 0.035 0.000 1.431 301 I CB -1.136 36.819 38.000 -0.075 0.000 1.485 301 I HN 0.944 nan 8.210 nan 0.000 0.650 302 A N 4.081 126.833 122.820 -0.113 0.000 2.478 302 A HA 0.654 4.974 4.320 0.000 0.000 0.327 302 A C 0.470 177.803 177.584 -0.418 0.000 1.431 302 A CA -0.014 51.639 52.037 -0.640 0.000 1.014 302 A CB 0.026 18.353 19.000 -1.121 0.000 1.143 302 A HN 1.240 nan 8.150 nan 0.000 0.532 303 S N 1.715 117.290 115.700 -0.208 0.000 2.473 303 S HA 0.507 4.977 4.470 0.000 0.000 0.307 303 S C 0.302 175.009 174.600 0.178 0.000 1.094 303 S CA -0.492 57.667 58.200 -0.068 0.000 1.070 303 S CB 0.451 63.569 63.200 -0.136 0.000 1.019 303 S HN 0.556 nan 8.310 nan 0.000 0.480 304 Y N 2.886 123.402 120.300 0.359 0.000 2.571 304 Y HA -0.013 4.537 4.550 0.000 0.000 0.294 304 Y C 2.095 178.207 175.900 0.354 0.000 1.141 304 Y CA 0.391 58.706 58.100 0.360 0.000 1.308 304 Y CB -0.057 38.580 38.460 0.296 0.000 1.002 304 Y HN 0.662 nan 8.280 nan 0.000 0.551 305 M N 0.254 120.060 119.600 0.343 0.000 2.476 305 M HA -0.121 4.359 4.480 0.000 0.000 0.262 305 M C 0.890 177.119 176.300 -0.118 0.000 1.079 305 M CA 1.231 56.624 55.300 0.156 0.000 1.104 305 M CB -0.307 32.312 32.600 0.033 0.000 1.409 305 M HN 0.017 nan 8.290 nan 0.000 0.467 306 N N 1.257 119.997 118.700 0.067 0.000 3.111 306 N HA 0.043 4.783 4.740 0.000 0.000 0.302 306 N C -1.104 174.503 175.510 0.161 0.000 1.317 306 N CA -0.094 52.995 53.050 0.065 0.000 1.151 306 N CB -0.229 38.354 38.487 0.160 0.000 1.456 306 N HN 0.226 nan 8.380 nan 0.000 0.547 307 F N -0.574 119.458 119.950 0.136 0.000 2.450 307 F HA 0.546 5.073 4.527 0.000 0.000 0.328 307 F C -0.483 175.412 175.800 0.160 0.000 1.068 307 F CA -1.330 56.739 58.000 0.115 0.000 1.007 307 F CB 0.749 39.791 39.000 0.070 0.000 1.251 307 F HN -0.218 nan 8.300 nan 0.000 0.492 308 L N 3.701 125.169 121.223 0.408 0.000 2.296 308 L HA 0.527 4.867 4.340 0.000 0.000 0.286 308 L C -0.907 176.102 176.870 0.231 0.000 1.023 308 L CA -0.790 54.242 54.840 0.320 0.000 0.812 308 L CB 1.261 43.431 42.059 0.185 0.000 1.223 308 L HN 0.685 nan 8.230 nan 0.000 0.421 309 I N 3.967 124.657 120.570 0.201 0.000 2.371 309 I HA 0.193 4.363 4.170 0.000 0.000 0.290 309 I C 0.276 176.387 176.117 -0.010 0.000 1.028 309 I CA 0.098 61.391 61.300 -0.011 0.000 1.345 309 I CB 1.444 39.462 38.000 0.030 0.000 1.407 309 I HN 0.498 nan 8.210 nan 0.000 0.501 310 T N 5.397 119.883 114.554 -0.114 0.000 3.176 310 T HA 0.344 4.694 4.350 0.000 0.000 0.337 310 T C -0.044 174.602 174.700 -0.090 0.000 0.957 310 T CA -0.334 61.733 62.100 -0.055 0.000 1.092 310 T CB -0.195 68.676 68.868 0.005 0.000 1.018 310 T HN 0.956 nan 8.240 nan 0.000 0.473 311 N N 2.581 121.266 118.700 -0.025 0.000 1.241 311 N HA -0.216 4.524 4.740 0.000 0.000 0.135 311 N C -0.224 175.242 175.510 -0.074 0.000 0.723 311 N CA 1.738 54.786 53.050 -0.003 0.000 0.950 311 N CB -0.791 37.729 38.487 0.055 0.000 1.215 311 N HN 0.573 nan 8.380 nan 0.000 0.520 312 D N 0.824 121.193 120.400 -0.051 0.000 2.349 312 D HA 0.211 4.851 4.640 0.000 0.000 0.224 312 D C 0.589 176.642 176.300 -0.413 0.000 1.029 312 D CA 0.916 54.862 54.000 -0.088 0.000 0.879 312 D CB -0.322 40.534 40.800 0.094 0.000 0.906 312 D HN 0.422 nan 8.370 nan 0.000 0.528 313 G N -0.486 107.764 108.800 -0.918 0.000 2.498 313 G HA2 0.547 4.507 3.960 0.000 0.000 0.312 313 G HA3 0.547 4.507 3.960 0.000 0.000 0.312 313 G C -1.039 173.358 174.900 -0.838 0.000 1.230 313 G CA -0.425 43.722 45.100 -1.589 0.000 0.968 313 G HN -0.048 nan 8.290 nan 0.000 0.481 314 V N 2.067 121.591 119.914 -0.649 0.000 2.577 314 V HA 0.379 4.499 4.120 0.000 0.000 0.303 314 V C -0.728 175.208 176.094 -0.262 0.000 1.042 314 V CA -0.816 61.209 62.300 -0.458 0.000 0.872 314 V CB 1.645 33.081 31.823 -0.644 0.000 0.998 314 V HN 0.592 nan 8.190 nan 0.000 0.423 315 I N 5.492 126.002 120.570 -0.100 0.000 2.307 315 I HA 0.471 4.641 4.170 0.000 0.000 0.289 315 I C -0.134 176.027 176.117 0.073 0.000 1.021 315 I CA -0.508 60.796 61.300 0.007 0.000 1.224 315 I CB 1.240 39.273 38.000 0.055 0.000 1.376 315 I HN 0.248 nan 8.210 nan 0.000 0.470 316 V N 8.586 128.521 119.914 0.036 0.000 2.513 316 V HA 0.405 4.525 4.120 0.000 0.000 0.299 316 V C -2.196 173.939 176.094 0.068 0.000 1.035 316 V CA -1.958 60.395 62.300 0.089 0.000 0.889 316 V CB 2.028 33.845 31.823 -0.011 0.000 0.988 316 V HN 0.529 nan 8.190 nan 0.000 0.440 317 P HA 0.146 nan 4.420 nan 0.000 0.267 317 P C -0.880 176.322 177.300 -0.163 0.000 1.200 317 P CA 0.010 63.017 63.100 -0.154 0.000 0.772 317 P CB 0.354 31.893 31.700 -0.268 0.000 0.855 318 Q N 1.877 121.475 119.800 -0.335 0.000 2.304 318 Q HA 0.246 4.586 4.340 0.000 0.000 0.270 318 Q C -0.611 175.228 176.000 -0.269 0.000 1.035 318 Q CA -0.310 55.410 55.803 -0.139 0.000 0.781 318 Q CB 1.757 30.480 28.738 -0.025 0.000 1.261 318 Q HN 0.560 nan 8.270 nan 0.000 0.444 319 Y N -0.534 119.864 120.300 0.163 0.000 2.481 319 Y HA 0.249 4.799 4.550 0.000 0.000 0.247 319 Y C 1.455 177.407 175.900 0.087 0.000 1.151 319 Y CA 0.133 58.277 58.100 0.073 0.000 1.238 319 Y CB 1.233 39.697 38.460 0.007 0.000 1.179 319 Y HN 0.947 nan 8.280 nan 0.000 0.524 320 G N 1.231 110.161 108.800 0.216 0.000 2.147 320 G HA2 -0.322 3.638 3.960 0.000 0.000 0.244 320 G HA3 -0.322 3.638 3.960 0.000 0.000 0.244 320 G C -0.362 174.646 174.900 0.179 0.000 1.005 320 G CA 0.402 45.603 45.100 0.168 0.000 0.713 320 G HN 0.429 nan 8.290 nan 0.000 0.515 321 D N -0.614 119.929 120.400 0.238 0.000 2.294 321 D HA 0.498 5.138 4.640 0.000 0.000 0.250 321 D C 1.726 178.138 176.300 0.187 0.000 1.058 321 D CA 0.113 54.245 54.000 0.220 0.000 0.950 321 D CB 0.579 41.554 40.800 0.292 0.000 1.158 321 D HN 0.351 nan 8.370 nan 0.000 0.453 322 E N 1.069 121.355 120.200 0.142 0.000 2.209 322 E HA -0.272 4.078 4.350 0.000 0.000 0.196 322 E C 0.620 177.287 176.600 0.111 0.000 0.993 322 E CA 1.259 57.724 56.400 0.108 0.000 0.819 322 E CB -0.334 29.415 29.700 0.081 0.000 0.745 322 E HN 0.444 nan 8.360 nan 0.000 0.477 323 N N 0.319 119.119 118.700 0.168 0.000 2.383 323 N HA -0.039 4.701 4.740 0.000 0.000 0.192 323 N C 0.391 175.910 175.510 0.014 0.000 1.141 323 N CA 0.068 53.195 53.050 0.129 0.000 0.851 323 N CB 0.187 38.809 38.487 0.226 0.000 0.976 323 N HN 0.155 nan 8.380 nan 0.000 0.465 324 D N 1.287 121.752 120.400 0.108 0.000 2.104 324 D HA -0.173 4.467 4.640 0.000 0.000 0.194 324 D C 2.519 178.754 176.300 -0.108 0.000 0.994 324 D CA 1.209 55.229 54.000 0.035 0.000 0.830 324 D CB -0.090 40.787 40.800 0.128 0.000 0.959 324 D HN 0.347 nan 8.370 nan 0.000 0.452 325 R N 0.521 120.991 120.500 -0.050 0.000 2.075 325 R HA -0.006 4.334 4.340 0.000 0.000 0.232 325 R C 2.238 178.486 176.300 -0.088 0.000 1.126 325 R CA 1.350 57.418 56.100 -0.054 0.000 0.963 325 R CB -1.518 28.772 30.300 -0.018 0.000 0.858 325 R HN 0.257 nan 8.270 nan 0.000 0.435 326 L N 0.462 121.632 121.223 -0.089 0.000 2.042 326 L HA -0.011 4.329 4.340 0.000 0.000 0.210 326 L C 2.763 179.540 176.870 -0.156 0.000 1.076 326 L CA 2.249 57.035 54.840 -0.090 0.000 0.749 326 L CB -0.832 41.198 42.059 -0.049 0.000 0.893 326 L HN 0.453 nan 8.230 nan 0.000 0.432 327 A N -0.463 122.164 122.820 -0.322 0.000 1.883 327 A HA -0.200 4.120 4.320 0.000 0.000 0.217 327 A C 2.270 179.713 177.584 -0.234 0.000 1.186 327 A CA 2.145 53.922 52.037 -0.432 0.000 0.624 327 A CB -0.939 17.384 19.000 -1.128 0.000 0.822 327 A HN 0.522 nan 8.150 nan 0.000 0.444 328 L N -0.974 120.134 121.223 -0.192 0.000 2.093 328 L HA -0.199 4.141 4.340 0.000 0.000 0.208 328 L C 2.607 179.421 176.870 -0.092 0.000 1.085 328 L CA 1.622 56.388 54.840 -0.123 0.000 0.755 328 L CB -0.706 41.301 42.059 -0.087 0.000 0.904 328 L HN 0.492 nan 8.230 nan 0.000 0.435 329 E N -0.069 120.083 120.200 -0.080 0.000 2.051 329 E HA -0.262 4.088 4.350 0.000 0.000 0.192 329 E C 2.261 178.831 176.600 -0.050 0.000 0.991 329 E CA 1.261 57.628 56.400 -0.054 0.000 0.799 329 E CB -0.082 29.591 29.700 -0.044 0.000 0.748 329 E HN 0.535 nan 8.360 nan 0.000 0.449 330 Q N 0.238 120.004 119.800 -0.057 0.000 2.084 330 Q HA -0.143 4.197 4.340 0.000 0.000 0.202 330 Q C 2.396 178.368 176.000 -0.046 0.000 0.978 330 Q CA 1.395 57.176 55.803 -0.038 0.000 0.844 330 Q CB -0.029 28.695 28.738 -0.022 0.000 0.898 330 Q HN 0.156 nan 8.270 nan 0.000 0.426 331 V N 0.834 120.702 119.914 -0.078 0.000 2.407 331 V HA -0.282 3.838 4.120 0.000 0.000 0.248 331 V C 2.271 178.358 176.094 -0.011 0.000 1.055 331 V CA 1.957 64.199 62.300 -0.097 0.000 1.049 331 V CB -0.588 31.078 31.823 -0.262 0.000 0.662 331 V HN 0.335 nan 8.190 nan 0.000 0.455 332 Q N 1.172 120.953 119.800 -0.033 0.000 2.096 332 Q HA -0.225 4.115 4.340 0.000 0.000 0.204 332 Q C 2.278 178.273 176.000 -0.009 0.000 0.982 332 Q CA 2.782 58.581 55.803 -0.007 0.000 0.850 332 Q CB -0.670 28.055 28.738 -0.022 0.000 0.901 332 Q HN 0.790 nan 8.270 nan 0.000 0.422 333 T N -2.323 112.211 114.554 -0.032 0.000 2.951 333 T HA -0.086 4.264 4.350 0.000 0.000 0.268 333 T C 1.773 176.413 174.700 -0.099 0.000 1.073 333 T CA 1.289 63.366 62.100 -0.038 0.000 1.134 333 T CB -0.228 68.631 68.868 -0.015 0.000 0.884 333 T HN 0.292 nan 8.240 nan 0.000 0.479 334 M N 0.017 119.499 119.600 -0.198 0.000 2.229 334 M HA 0.200 4.680 4.480 0.000 0.000 0.264 334 M C -0.014 175.828 176.300 -0.762 0.000 1.063 334 M CA 1.266 56.231 55.300 -0.559 0.000 1.114 334 M CB -0.068 32.114 32.600 -0.696 0.000 1.387 334 M HN 0.219 nan 8.290 nan 0.000 0.420 335 F N -0.262 119.598 119.950 -0.149 0.000 2.531 335 F HA 0.304 4.831 4.527 0.000 0.000 0.333 335 F C -1.760 173.983 175.800 -0.095 0.000 1.292 335 F CA -2.015 55.910 58.000 -0.125 0.000 1.184 335 F CB 0.149 39.063 39.000 -0.142 0.000 1.426 335 F HN -0.098 nan 8.300 nan 0.000 0.559 336 P HA -0.142 nan 4.420 nan 0.000 0.220 336 P C 0.472 177.789 177.300 0.028 0.000 1.148 336 P CA 1.455 64.564 63.100 0.016 0.000 0.803 336 P CB 0.437 32.132 31.700 -0.008 0.000 0.782 337 D N -0.748 119.677 120.400 0.042 0.000 2.340 337 D HA 0.099 4.739 4.640 0.000 0.000 0.217 337 D C 0.622 176.940 176.300 0.030 0.000 1.081 337 D CA 0.304 54.324 54.000 0.034 0.000 0.842 337 D CB 0.534 41.353 40.800 0.032 0.000 0.934 337 D HN 0.309 nan 8.370 nan 0.000 0.511 338 K N 0.783 121.199 120.400 0.028 0.000 2.139 338 K HA 0.334 4.654 4.320 0.000 0.000 0.243 338 K C 0.202 176.770 176.600 -0.053 0.000 0.983 338 K CA -0.714 55.547 56.287 -0.044 0.000 0.890 338 K CB 2.112 34.535 32.500 -0.129 0.000 1.090 338 K HN -0.240 nan 8.250 nan 0.000 0.445 339 K N 2.533 122.878 120.400 -0.092 0.000 2.248 339 K HA 0.190 4.510 4.320 0.000 0.000 0.281 339 K C -0.660 175.869 176.600 -0.118 0.000 1.054 339 K CA -0.525 55.751 56.287 -0.019 0.000 0.903 339 K CB 0.487 33.102 32.500 0.192 0.000 1.077 339 K HN 0.372 nan 8.250 nan 0.000 0.474 340 I N 5.372 125.901 120.570 -0.068 0.000 2.315 340 I HA 0.198 4.368 4.170 0.000 0.000 0.291 340 I C -0.300 175.800 176.117 -0.028 0.000 1.006 340 I CA -0.795 60.444 61.300 -0.103 0.000 1.265 340 I CB 1.122 39.065 38.000 -0.095 0.000 1.387 340 I HN 0.289 nan 8.210 nan 0.000 0.475 341 V N 5.699 125.602 119.914 -0.018 0.000 2.407 341 V HA 0.568 4.688 4.120 0.000 0.000 0.291 341 V C 0.674 176.776 176.094 0.013 0.000 1.018 341 V CA -0.693 61.634 62.300 0.045 0.000 0.842 341 V CB 1.602 33.518 31.823 0.156 0.000 0.996 341 V HN 0.913 nan 8.190 nan 0.000 0.426 342 G N 3.561 112.363 108.800 0.003 0.000 2.415 342 G HA2 0.557 4.517 3.960 0.000 0.000 0.269 342 G HA3 0.557 4.517 3.960 0.000 0.000 0.269 342 G C -0.797 174.103 174.900 -0.000 0.000 1.209 342 G CA -0.234 44.863 45.100 -0.004 0.000 0.835 342 G HN 0.571 nan 8.290 nan 0.000 0.534 343 V N 2.475 122.380 119.914 -0.016 0.000 2.709 343 V HA 0.250 4.370 4.120 0.000 0.000 0.308 343 V C -0.670 175.391 176.094 -0.054 0.000 1.062 343 V CA -1.436 60.849 62.300 -0.024 0.000 0.901 343 V CB 2.024 33.834 31.823 -0.021 0.000 1.003 343 V HN 0.674 nan 8.190 nan 0.000 0.425 344 N N 2.967 121.645 118.700 -0.037 0.000 2.406 344 N HA 0.184 4.924 4.740 0.000 0.000 0.265 344 N C 0.768 176.243 175.510 -0.057 0.000 1.203 344 N CA 0.204 53.229 53.050 -0.041 0.000 0.945 344 N CB 0.977 39.462 38.487 -0.003 0.000 1.165 344 N HN 0.943 nan 8.380 nan 0.000 0.485 345 T N -2.807 111.683 114.554 -0.107 0.000 3.288 345 T HA 0.071 4.421 4.350 0.000 0.000 0.293 345 T C 1.257 175.943 174.700 -0.025 0.000 1.008 345 T CA -0.409 61.642 62.100 -0.082 0.000 0.929 345 T CB -0.212 68.589 68.868 -0.112 0.000 1.152 345 T HN 0.113 nan 8.240 nan 0.000 0.517 346 V N 1.845 121.748 119.914 -0.018 0.000 2.469 346 V HA -0.150 3.970 4.120 0.000 0.000 0.251 346 V C 2.381 178.205 176.094 -0.451 0.000 1.064 346 V CA 1.977 64.229 62.300 -0.081 0.000 1.066 346 V CB -0.304 31.498 31.823 -0.036 0.000 0.667 346 V HN 0.473 nan 8.190 nan 0.000 0.461 347 E N -0.178 119.889 120.200 -0.223 0.000 2.204 347 E HA -0.127 4.223 4.350 0.000 0.000 0.195 347 E C 2.167 178.866 176.600 0.165 0.000 0.990 347 E CA 1.436 57.786 56.400 -0.083 0.000 0.821 347 E CB -0.308 29.415 29.700 0.038 0.000 0.750 347 E HN 0.599 nan 8.360 nan 0.000 0.477 348 V N 0.590 120.606 119.914 0.171 0.000 2.488 348 V HA -0.124 3.996 4.120 0.000 0.000 0.246 348 V C 2.436 178.855 176.094 0.541 0.000 1.046 348 V CA 0.936 63.489 62.300 0.421 0.000 1.053 348 V CB -0.383 31.573 31.823 0.222 0.000 0.679 348 V HN 0.072 nan 8.190 nan 0.000 0.458 349 V N -0.567 119.511 119.914 0.273 0.000 2.626 349 V HA -0.248 3.872 4.120 0.000 0.000 0.252 349 V C 2.184 178.428 176.094 0.250 0.000 1.067 349 V CA 1.789 64.234 62.300 0.242 0.000 1.081 349 V CB -0.551 31.386 31.823 0.189 0.000 0.686 349 V HN 0.631 nan 8.190 nan 0.000 0.468 350 Y N 0.172 120.662 120.300 0.317 0.000 2.315 350 Y HA -0.155 4.395 4.550 0.000 0.000 0.288 350 Y C 2.291 178.254 175.900 0.105 0.000 1.154 350 Y CA 0.650 58.896 58.100 0.244 0.000 1.229 350 Y CB -0.346 38.294 38.460 0.301 0.000 0.980 350 Y HN 0.419 nan 8.280 nan 0.000 0.540 351 G N -1.393 107.555 108.800 0.246 0.000 3.088 351 G HA2 0.350 4.310 3.960 0.000 0.000 0.217 351 G HA3 0.350 4.310 3.960 0.000 0.000 0.217 351 G C 1.164 176.036 174.900 -0.047 0.000 1.159 351 G CA 0.384 45.332 45.100 -0.254 0.000 0.760 351 G HN 0.477 nan 8.290 nan 0.000 0.550 352 G N -2.100 106.705 108.800 0.008 0.000 2.192 352 G HA2 0.320 4.280 3.960 0.000 0.000 0.193 352 G HA3 0.320 4.280 3.960 0.000 0.000 0.193 352 G C 0.458 175.144 174.900 -0.358 0.000 0.999 352 G CA 0.177 45.108 45.100 -0.281 0.000 0.659 352 G HN 1.476 nan 8.290 nan 0.000 0.503 353 G N -0.810 107.984 108.800 -0.011 0.000 2.570 353 G HA2 0.652 4.612 3.960 0.000 0.000 0.310 353 G HA3 0.652 4.612 3.960 0.000 0.000 0.310 353 G C -0.925 174.226 174.900 0.419 0.000 1.266 353 G CA 0.519 45.682 45.100 0.106 0.000 0.825 353 G HN 0.674 nan 8.290 nan 0.000 0.483 354 N N -2.382 116.557 118.700 0.400 0.000 3.621 354 N HA 0.418 5.158 4.740 0.000 0.000 0.345 354 N C 1.553 177.179 175.510 0.194 0.000 1.646 354 N CA -0.637 52.593 53.050 0.300 0.000 0.731 354 N CB 0.624 39.279 38.487 0.279 0.000 2.435 354 N HN 0.274 nan 8.380 nan 0.000 0.613 355 I N 0.374 121.010 120.570 0.111 0.000 2.208 355 I HA -0.227 3.943 4.170 0.000 0.000 0.245 355 I C 1.360 177.537 176.117 0.100 0.000 1.097 355 I CA 1.137 62.461 61.300 0.040 0.000 1.363 355 I CB -0.399 37.639 38.000 0.065 0.000 1.051 355 I HN 0.481 nan 8.210 nan 0.000 0.413 359 T N -1.126 113.431 114.554 0.006 0.000 2.906 359 T HA 0.777 5.127 4.350 0.000 0.000 0.295 359 T C -0.795 173.933 174.700 0.047 0.000 1.075 359 T CA -0.558 61.563 62.100 0.036 0.000 1.005 359 T CB 2.689 71.564 68.868 0.011 0.000 1.136 359 T HN 0.258 nan 8.240 nan 0.000 0.498 360 Q N 1.956 121.850 119.800 0.157 0.000 2.275 360 Q HA 0.301 4.641 4.340 0.000 0.000 0.258 360 Q C -0.872 175.322 176.000 0.322 0.000 0.960 360 Q CA -0.613 55.308 55.803 0.197 0.000 0.801 360 Q CB 1.666 30.533 28.738 0.215 0.000 1.302 360 Q HN 0.784 nan 8.270 nan 0.000 0.433 361 Q N 2.283 122.236 119.800 0.255 0.000 2.354 361 Q HA 0.228 4.568 4.340 0.000 0.000 0.244 361 Q C -0.898 175.323 176.000 0.369 0.000 0.969 361 Q CA -0.102 55.856 55.803 0.259 0.000 0.885 361 Q CB 1.279 30.119 28.738 0.170 0.000 1.241 361 Q HN 0.735 nan 8.270 nan 0.000 0.461 362 E N 3.130 123.463 120.200 0.222 0.000 2.182 362 E HA 0.387 4.737 4.350 0.000 0.000 0.258 362 E C -2.406 174.156 176.600 -0.064 0.000 0.879 362 E CA -2.493 53.877 56.400 -0.050 0.000 0.754 362 E CB 1.664 31.244 29.700 -0.199 0.000 1.162 362 E HN 0.462 nan 8.360 nan 0.000 0.419 363 P HA 0.074 nan 4.420 nan 0.000 0.274 363 P C -0.831 176.452 177.300 -0.027 0.000 1.231 363 P CA -0.294 62.810 63.100 0.006 0.000 0.790 363 P CB 0.918 32.653 31.700 0.058 0.000 0.951 364 K N 2.157 122.554 120.400 -0.004 0.000 2.382 364 K HA 0.121 4.441 4.320 0.000 0.000 0.275 364 K C 0.734 177.337 176.600 0.006 0.000 1.009 364 K CA -0.106 56.178 56.287 -0.004 0.000 0.970 364 K CB 0.421 32.925 32.500 0.006 0.000 0.934 364 K HN 0.389 nan 8.250 nan 0.000 0.479 365 R N 1.309 121.813 120.500 0.008 0.000 2.442 365 R HA 0.136 4.476 4.340 0.000 0.000 0.291 365 R C -0.329 175.978 176.300 0.012 0.000 1.069 365 R CA -0.337 55.776 56.100 0.022 0.000 1.022 365 R CB 0.341 30.660 30.300 0.031 0.000 0.976 365 R HN 0.234 nan 8.270 nan 0.000 0.443 366 V N 2.486 122.402 119.914 0.003 0.000 2.448 366 V HA 0.342 4.462 4.120 0.000 0.000 0.295 366 V C 0.945 177.024 176.094 -0.025 0.000 1.025 366 V CA -0.766 61.527 62.300 -0.011 0.000 0.859 366 V CB 1.647 33.460 31.823 -0.017 0.000 0.988 366 V HN 0.975 nan 8.190 nan 0.000 0.431 367 G N 0.000 108.789 108.800 -0.018 0.000 5.446 367 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 367 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 367 G CA 0.000 45.096 45.100 -0.006 0.000 0.502 367 G HN 0.000 nan 8.290 nan 0.000 0.925