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 1osi_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKVAVLPGDG IGPEVTEAAL KVLRALDEAE GLGLAYEVFP FGGAAIDAFG DATA SEQUENCE EPFPEPTRKG VEEAEAVLLG SVGGPKWDGL PRKIRPETGL LSLRKSQDLF DATA SEQUENCE ANLRPAKVFP GLERLSPLKE EIARGVDVLI VRELTGGIYF GEPRGMSEAE DATA SEQUENCE AWNTERYSKP EVERVARVAF EAARKRRKHV VSVDKANVLE VGEFWRKTVE DATA SEQUENCE EVGRGYPDVA LEHQYVDAMA MHLVRSPARF DVVVTGNIFG DILSDLASVL DATA SEQUENCE PGSLGLLPSA SLGRGTPVFE PVHGSAPDIA GKGIANPTAA ILSAAMMLEH DATA SEQUENCE AFGLVELARK VEDAVAKALL ETPPPDLGGS AGTEAFTATV LRHLA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.295 176.300 -0.009 0.000 1.140 1 M CA 0.000 55.166 55.300 -0.223 0.000 0.988 1 M CB 0.000 32.305 32.600 -0.492 0.000 1.302 2 K N 4.575 125.062 120.400 0.145 0.000 2.273 2 K HA 0.163 nan 4.320 nan 0.000 0.287 2 K C -1.379 175.367 176.600 0.243 0.000 1.089 2 K CA -0.547 55.843 56.287 0.172 0.000 0.909 2 K CB 0.503 33.094 32.500 0.152 0.000 1.123 2 K HN -0.046 8.656 8.250 0.216 -0.322 0.473 3 V N 5.183 125.237 119.914 0.233 0.000 2.459 3 V HA 0.512 nan 4.120 nan 0.000 0.295 3 V C -1.628 174.619 176.094 0.256 0.000 1.029 3 V CA -1.677 60.769 62.300 0.244 0.000 0.874 3 V CB 2.592 34.535 31.823 0.201 0.000 0.985 3 V HN -0.343 7.980 8.190 0.222 0.000 0.438 4 A N 7.070 130.015 122.820 0.207 0.000 2.260 4 A HA 0.699 nan 4.320 nan 0.000 0.314 4 A C -1.714 176.005 177.584 0.225 0.000 1.257 4 A CA -1.637 50.545 52.037 0.242 0.000 0.871 4 A CB 1.356 20.379 19.000 0.039 0.000 1.166 4 A HN 0.978 9.119 8.150 0.163 0.108 0.522 5 V N 5.066 125.174 119.914 0.322 0.000 2.318 5 V HA 0.342 nan 4.120 nan 0.000 0.271 5 V C -1.285 174.940 176.094 0.218 0.000 1.030 5 V CA -0.522 61.913 62.300 0.225 0.000 0.844 5 V CB 0.215 32.176 31.823 0.230 0.000 1.015 5 V HN 0.762 9.216 8.190 0.439 0.000 0.460 6 L N 8.737 130.026 121.223 0.111 0.000 2.494 6 L HA 0.554 nan 4.340 nan 0.000 0.251 6 L C -1.642 175.294 176.870 0.110 0.000 1.119 6 L CA -3.096 51.801 54.840 0.095 0.000 1.026 6 L CB -1.545 40.429 42.059 -0.141 0.000 1.370 6 L HN 0.189 8.453 8.230 0.056 0.000 0.426 7 P HA -0.252 nan 4.420 nan 0.000 0.218 7 P C -0.551 176.826 177.300 0.129 0.000 1.154 7 P CA 1.665 64.836 63.100 0.118 0.000 0.872 7 P CB 0.311 32.078 31.700 0.111 0.000 0.790 8 G N -4.499 104.391 108.800 0.151 0.000 2.584 8 G HA2 -0.454 nan 3.960 nan 0.000 0.229 8 G HA3 -0.454 nan 3.960 nan 0.000 0.229 8 G C -1.507 173.431 174.900 0.064 0.000 1.320 8 G CA -0.487 44.692 45.100 0.132 0.000 0.891 8 G HN -0.483 7.907 8.290 0.167 0.000 0.573 9 D N 3.014 123.436 120.400 0.035 0.000 2.529 9 D HA 0.215 nan 4.640 nan 0.000 0.273 9 D C 0.963 177.330 176.300 0.112 0.000 1.197 9 D CA -0.891 53.143 54.000 0.056 0.000 1.070 9 D CB 0.784 41.598 40.800 0.023 0.000 1.134 9 D HN -0.048 8.237 8.370 0.041 0.109 0.590 10 G N 0.530 109.421 108.800 0.152 0.000 2.672 10 G HA2 -0.360 nan 3.960 nan 0.000 0.324 10 G HA3 -0.360 nan 3.960 nan 0.000 0.324 10 G C 1.160 176.106 174.900 0.077 0.000 1.286 10 G CA 1.590 46.759 45.100 0.114 0.000 1.004 10 G HN 0.091 8.510 8.290 0.214 0.000 0.548 11 I N -1.697 118.900 120.570 0.044 0.000 3.111 11 I HA -0.013 nan 4.170 nan 0.000 0.272 11 I C 1.588 177.742 176.117 0.062 0.000 1.268 11 I CA 1.078 62.392 61.300 0.022 0.000 1.467 11 I CB -0.538 37.429 38.000 -0.057 0.000 1.087 11 I HN 0.131 8.361 8.210 0.032 0.000 0.467 12 G N 1.816 110.674 108.800 0.097 0.000 2.681 12 G HA2 -0.328 nan 3.960 nan 0.000 0.220 12 G HA3 -0.328 nan 3.960 nan 0.000 0.220 12 G C -1.610 173.350 174.900 0.100 0.000 1.210 12 G CA 3.449 48.622 45.100 0.121 0.000 0.783 12 G HN 0.383 8.675 8.290 0.096 0.056 0.609 13 P HA -0.270 nan 4.420 nan 0.000 0.216 13 P C 1.822 179.163 177.300 0.069 0.000 1.150 13 P CA 3.186 66.333 63.100 0.080 0.000 0.843 13 P CB -0.272 31.475 31.700 0.078 0.000 0.787 14 E N -2.091 118.146 120.200 0.062 0.000 2.031 14 E HA -0.313 nan 4.350 nan 0.000 0.193 14 E C 2.619 179.253 176.600 0.056 0.000 0.994 14 E CA 3.195 59.626 56.400 0.051 0.000 0.800 14 E CB -0.126 29.596 29.700 0.037 0.000 0.752 14 E HN -0.282 7.994 8.360 0.063 0.122 0.447 15 V N -5.225 114.730 119.914 0.068 0.000 2.548 15 V HA -0.188 nan 4.120 nan 0.000 0.249 15 V C 2.101 178.238 176.094 0.073 0.000 1.055 15 V CA 3.706 66.055 62.300 0.082 0.000 1.065 15 V CB -1.250 30.652 31.823 0.133 0.000 0.681 15 V HN -0.202 8.032 8.190 0.072 0.000 0.462 16 T N 3.405 118.001 114.554 0.070 0.000 2.746 16 T HA -0.315 nan 4.350 nan 0.000 0.267 16 T C 1.901 176.614 174.700 0.023 0.000 1.039 16 T CA 5.168 67.298 62.100 0.049 0.000 1.142 16 T CB -0.829 68.076 68.868 0.061 0.000 0.866 16 T HN 0.337 8.625 8.240 0.080 0.000 0.444 17 E N 1.127 121.348 120.200 0.035 0.000 2.077 17 E HA -0.337 nan 4.350 nan 0.000 0.193 17 E C 1.830 178.439 176.600 0.014 0.000 0.989 17 E CA 2.924 59.338 56.400 0.023 0.000 0.800 17 E CB -0.449 29.276 29.700 0.041 0.000 0.746 17 E HN -0.389 8.000 8.360 0.049 0.000 0.452 18 A N -1.569 121.272 122.820 0.035 0.000 1.940 18 A HA -0.247 nan 4.320 nan 0.000 0.219 18 A C 2.125 179.728 177.584 0.031 0.000 1.176 18 A CA 3.012 55.076 52.037 0.046 0.000 0.631 18 A CB -0.869 18.175 19.000 0.073 0.000 0.814 18 A HN -0.575 7.530 8.150 0.044 0.072 0.446 19 A N -1.643 121.187 122.820 0.018 0.000 1.929 19 A HA -0.169 nan 4.320 nan 0.000 0.216 19 A C 2.037 179.589 177.584 -0.053 0.000 1.176 19 A CA 2.695 54.730 52.037 -0.002 0.000 0.628 19 A CB -0.635 18.366 19.000 0.002 0.000 0.816 19 A HN -0.263 7.791 8.150 0.025 0.110 0.444 20 L N -2.174 118.996 121.223 -0.088 0.000 2.141 20 L HA -0.436 nan 4.340 nan 0.000 0.209 20 L C 2.184 178.983 176.870 -0.119 0.000 1.094 20 L CA 2.834 57.565 54.840 -0.182 0.000 0.763 20 L CB -0.365 41.534 42.059 -0.266 0.000 0.908 20 L HN 0.294 8.398 8.230 -0.060 0.090 0.437 21 K N -0.144 120.225 120.400 -0.052 0.000 2.026 21 K HA -0.367 nan 4.320 nan 0.000 0.208 21 K C 2.407 178.990 176.600 -0.027 0.000 1.048 21 K CA 3.730 60.003 56.287 -0.024 0.000 0.929 21 K CB -0.338 32.164 32.500 0.003 0.000 0.713 21 K HN 0.107 8.221 8.250 -0.035 0.115 0.439 22 V N 0.241 120.142 119.914 -0.023 0.000 2.287 22 V HA -0.353 nan 4.120 nan 0.000 0.248 22 V C 1.979 178.049 176.094 -0.041 0.000 1.053 22 V CA 4.441 66.728 62.300 -0.021 0.000 1.027 22 V CB -0.721 31.098 31.823 -0.007 0.000 0.646 22 V HN -0.691 7.490 8.190 -0.015 0.000 0.447 23 L N -2.160 119.023 121.223 -0.067 0.000 2.017 23 L HA -0.494 nan 4.340 nan 0.000 0.208 23 L C 2.150 178.974 176.870 -0.076 0.000 1.073 23 L CA 3.499 58.287 54.840 -0.088 0.000 0.745 23 L CB -0.662 41.317 42.059 -0.134 0.000 0.894 23 L HN -0.323 7.863 8.230 -0.073 0.000 0.432 24 R N -2.208 118.248 120.500 -0.073 0.000 2.127 24 R HA -0.415 nan 4.340 nan 0.000 0.238 24 R C 2.319 178.607 176.300 -0.020 0.000 1.134 24 R CA 3.494 59.575 56.100 -0.032 0.000 0.975 24 R CB -0.426 29.867 30.300 -0.011 0.000 0.865 24 R HN 0.361 8.468 8.270 -0.092 0.108 0.447 25 A N 0.035 122.841 122.820 -0.024 0.000 1.855 25 A HA -0.159 nan 4.320 nan 0.000 0.215 25 A C 1.794 179.364 177.584 -0.023 0.000 1.191 25 A CA 2.774 54.800 52.037 -0.019 0.000 0.613 25 A CB -0.688 18.301 19.000 -0.017 0.000 0.829 25 A HN -0.479 7.543 8.150 -0.030 0.110 0.442 26 L N -2.795 118.410 121.223 -0.031 0.000 2.129 26 L HA -0.506 nan 4.340 nan 0.000 0.212 26 L C 2.062 178.909 176.870 -0.038 0.000 1.087 26 L CA 2.762 57.582 54.840 -0.034 0.000 0.757 26 L CB -0.493 41.541 42.059 -0.042 0.000 0.896 26 L HN -0.231 7.979 8.230 -0.034 0.000 0.434 27 D N -1.014 119.362 120.400 -0.040 0.000 2.149 27 D HA -0.262 nan 4.640 nan 0.000 0.201 27 D C 2.526 178.812 176.300 -0.024 0.000 0.972 27 D CA 3.583 57.560 54.000 -0.038 0.000 0.835 27 D CB 0.156 40.936 40.800 -0.033 0.000 0.966 27 D HN 0.009 8.336 8.370 -0.042 0.017 0.476 28 E N -1.406 118.784 120.200 -0.017 0.000 2.515 28 E HA -0.217 nan 4.350 nan 0.000 0.201 28 E C -0.491 176.101 176.600 -0.014 0.000 1.071 28 E CA 1.290 57.683 56.400 -0.012 0.000 0.880 28 E CB -0.160 29.535 29.700 -0.008 0.000 0.828 28 E HN -0.354 7.900 8.360 -0.018 0.095 0.540 29 A N -0.836 121.974 122.820 -0.018 0.000 2.083 29 A HA 0.086 nan 4.320 nan 0.000 0.209 29 A C 1.162 178.735 177.584 -0.018 0.000 1.969 29 A CA 1.100 53.127 52.037 -0.017 0.000 0.933 29 A CB 1.030 20.020 19.000 -0.017 0.000 1.304 29 A HN -0.515 7.401 8.150 -0.022 0.221 0.621 30 E N -1.730 118.456 120.200 -0.023 0.000 2.347 30 E HA -0.054 nan 4.350 nan 0.000 0.196 30 E C 0.897 177.481 176.600 -0.027 0.000 1.008 30 E CA -0.268 56.117 56.400 -0.024 0.000 0.852 30 E CB 0.177 29.860 29.700 -0.030 0.000 0.783 30 E HN 0.015 8.360 8.360 -0.026 0.000 0.505 31 G N 0.167 108.949 108.800 -0.029 0.000 2.353 31 G HA2 -0.349 nan 3.960 nan 0.000 0.294 31 G HA3 -0.349 nan 3.960 nan 0.000 0.294 31 G C 0.115 174.990 174.900 -0.041 0.000 1.077 31 G CA 0.519 45.602 45.100 -0.029 0.000 1.098 31 G HN -0.241 7.893 8.290 -0.029 0.139 0.511 32 L N -0.981 120.205 121.223 -0.060 0.000 2.217 32 L HA -0.041 nan 4.340 nan 0.000 0.211 32 L C 1.426 178.237 176.870 -0.098 0.000 1.107 32 L CA 0.470 55.253 54.840 -0.095 0.000 0.783 32 L CB -0.432 41.543 42.059 -0.139 0.000 0.919 32 L HN -0.347 7.909 8.230 -0.057 -0.061 0.442 33 G N -2.165 106.595 108.800 -0.066 0.000 2.341 33 G HA2 -0.413 nan 3.960 nan 0.000 0.278 33 G HA3 -0.413 nan 3.960 nan 0.000 0.278 33 G C -0.640 174.226 174.900 -0.057 0.000 1.111 33 G CA -0.224 44.847 45.100 -0.048 0.000 0.982 33 G HN -0.390 7.973 8.290 -0.052 -0.105 0.502 34 L N -1.115 120.081 121.223 -0.045 0.000 2.473 34 L HA 0.154 nan 4.340 nan 0.000 0.265 34 L C -0.733 176.168 176.870 0.050 0.000 1.243 34 L CA 0.699 55.531 54.840 -0.013 0.000 0.822 34 L CB 0.998 43.078 42.059 0.035 0.000 1.101 34 L HN -0.308 8.172 8.230 -0.036 -0.272 0.507 35 A N -0.830 122.062 122.820 0.119 0.000 2.503 35 A HA 0.099 nan 4.320 nan 0.000 0.275 35 A C -2.271 175.400 177.584 0.145 0.000 1.339 35 A CA -0.012 52.080 52.037 0.091 0.000 0.984 35 A CB 0.715 19.742 19.000 0.046 0.000 1.382 35 A HN 0.080 8.323 8.150 0.154 0.000 0.609 36 Y N -2.228 118.089 120.300 0.028 0.000 2.528 36 Y HA 0.924 nan 4.550 nan 0.000 0.335 36 Y C -1.776 174.149 175.900 0.041 0.000 1.093 36 Y CA -2.723 55.411 58.100 0.057 0.000 1.134 36 Y CB 2.123 40.614 38.460 0.051 0.000 1.253 36 Y HN -0.275 8.103 8.280 0.164 0.000 0.478 37 E N 0.580 120.823 120.200 0.072 0.000 2.308 37 E HA 0.246 nan 4.350 nan 0.000 0.275 37 E C -2.504 174.092 176.600 -0.008 0.000 0.890 37 E CA -1.219 55.105 56.400 -0.125 0.000 0.754 37 E CB 4.195 33.775 29.700 -0.200 0.000 1.207 37 E HN 0.329 8.864 8.360 0.292 0.000 0.426 38 V N 3.693 123.542 119.914 -0.108 0.000 2.686 38 V HA 0.711 nan 4.120 nan 0.000 0.295 38 V C -1.835 174.127 176.094 -0.220 0.000 1.057 38 V CA -1.009 61.301 62.300 0.017 0.000 1.012 38 V CB 0.761 32.633 31.823 0.082 0.000 1.006 38 V HN 0.218 8.297 8.190 -0.185 0.000 0.477 39 F N 6.144 126.131 119.950 0.062 0.000 2.588 39 F HA 0.457 nan 4.527 nan 0.000 0.314 39 F C -2.301 173.536 175.800 0.062 0.000 1.069 39 F CA -2.895 55.130 58.000 0.042 0.000 0.931 39 F CB 2.604 41.620 39.000 0.026 0.000 1.260 39 F HN 0.608 9.015 8.300 0.338 0.096 0.465 40 P HA 0.112 nan 4.420 nan 0.000 0.276 40 P C -2.131 175.295 177.300 0.211 0.000 1.230 40 P CA -0.377 62.803 63.100 0.133 0.000 0.776 40 P CB 0.521 32.230 31.700 0.016 0.000 0.888 41 F N 2.494 122.437 119.950 -0.012 0.000 2.678 41 F HA 0.294 nan 4.527 nan 0.000 0.308 41 F C -0.377 175.365 175.800 -0.097 0.000 1.118 41 F CA -0.958 57.032 58.000 -0.018 0.000 0.959 41 F CB 3.773 42.787 39.000 0.023 0.000 1.305 41 F HN -0.288 8.111 8.300 0.165 0.000 0.443 42 G N 5.123 113.356 108.800 -0.944 0.000 2.547 42 G HA2 -0.471 nan 3.960 nan 0.000 0.271 42 G HA3 -0.471 nan 3.960 nan 0.000 0.271 42 G C -0.346 174.161 174.900 -0.655 0.000 1.209 42 G CA 0.431 45.079 45.100 -0.753 0.000 0.959 42 G HN 0.549 7.828 8.290 -1.550 0.081 0.563 43 G N 1.790 110.050 108.800 -0.899 0.000 2.442 43 G HA2 -0.403 nan 3.960 nan 0.000 0.219 43 G HA3 -0.403 nan 3.960 nan 0.000 0.219 43 G C 0.697 174.947 174.900 -1.084 0.000 1.141 43 G CA 1.783 45.797 45.100 -1.811 0.000 0.763 43 G HN -0.217 7.933 8.290 -0.735 -0.302 0.554 44 A N 1.321 123.811 122.820 -0.550 0.000 1.883 44 A HA -0.206 nan 4.320 nan 0.000 0.217 44 A C 0.802 178.347 177.584 -0.066 0.000 1.186 44 A CA 2.929 54.870 52.037 -0.161 0.000 0.624 44 A CB -1.051 17.924 19.000 -0.042 0.000 0.822 44 A HN -0.234 7.841 8.150 -0.516 -0.234 0.444 45 A N -2.092 120.659 122.820 -0.116 0.000 1.902 45 A HA -0.212 nan 4.320 nan 0.000 0.217 45 A C 1.901 179.509 177.584 0.041 0.000 1.181 45 A CA 2.380 54.395 52.037 -0.037 0.000 0.623 45 A CB -0.342 18.578 19.000 -0.134 0.000 0.818 45 A HN -0.255 7.675 8.150 -0.198 0.101 0.443 46 I N -1.736 118.769 120.570 -0.109 0.000 2.163 46 I HA -0.603 nan 4.170 nan 0.000 0.243 46 I C 2.111 178.293 176.117 0.109 0.000 1.085 46 I CA 4.184 65.467 61.300 -0.028 0.000 1.347 46 I CB -0.454 37.456 38.000 -0.149 0.000 1.044 46 I HN -0.006 7.947 8.210 -0.280 0.089 0.408 47 D N -1.015 119.471 120.400 0.144 0.000 2.392 47 D HA -0.189 nan 4.640 nan 0.000 0.228 47 D C -0.019 176.374 176.300 0.155 0.000 1.003 47 D CA 2.608 56.732 54.000 0.207 0.000 0.917 47 D CB -0.700 40.270 40.800 0.283 0.000 0.890 47 D HN -0.410 7.994 8.370 0.057 0.000 0.532 48 A N -3.404 119.528 122.820 0.187 0.000 2.150 48 A HA 0.087 nan 4.320 nan 0.000 0.191 48 A C 0.030 177.608 177.584 -0.009 0.000 1.591 48 A CA 0.904 53.017 52.037 0.126 0.000 1.142 48 A CB 1.652 20.798 19.000 0.242 0.000 1.326 48 A HN -0.378 7.709 8.150 0.229 0.201 0.470 49 F N -3.313 116.650 119.950 0.022 0.000 2.746 49 F HA 0.332 nan 4.527 nan 0.000 0.313 49 F C 0.672 176.480 175.800 0.014 0.000 1.095 49 F CA 0.345 58.355 58.000 0.017 0.000 1.224 49 F CB 1.304 40.313 39.000 0.015 0.000 1.060 49 F HN 0.502 9.080 8.300 0.463 0.000 0.584 50 G N -0.522 108.390 108.800 0.187 0.000 2.143 50 G HA2 -0.411 nan 3.960 nan 0.000 0.248 50 G HA3 -0.411 nan 3.960 nan 0.000 0.248 50 G C -1.710 173.246 174.900 0.093 0.000 0.991 50 G CA 0.496 45.665 45.100 0.115 0.000 0.689 50 G HN -0.055 8.257 8.290 0.200 0.098 0.522 51 E N -1.503 118.753 120.200 0.094 0.000 2.372 51 E HA 0.351 nan 4.350 nan 0.000 0.279 51 E C -2.806 173.775 176.600 -0.032 0.000 0.946 51 E CA -3.416 53.007 56.400 0.037 0.000 0.769 51 E CB 2.594 32.326 29.700 0.054 0.000 1.230 51 E HN -0.928 7.472 8.360 0.142 0.045 0.442 52 P HA -0.019 nan 4.420 nan 0.000 0.222 52 P C -1.592 175.579 177.300 -0.214 0.000 1.153 52 P CA 1.606 64.546 63.100 -0.267 0.000 0.798 52 P CB 0.604 32.108 31.700 -0.326 0.000 0.796 53 F N -2.353 117.483 119.950 -0.190 0.000 2.531 53 F HA 0.485 nan 4.527 nan 0.000 0.333 53 F C -3.022 172.758 175.800 -0.034 0.000 1.292 53 F CA -4.625 53.368 58.000 -0.011 0.000 1.184 53 F CB 0.080 39.135 39.000 0.091 0.000 1.426 53 F HN -0.445 7.878 8.300 0.090 0.031 0.559 54 P HA 0.060 nan 4.420 nan 0.000 0.269 54 P C 0.300 177.363 177.300 -0.396 0.000 1.217 54 P CA -0.239 62.675 63.100 -0.308 0.000 0.783 54 P CB 0.829 32.118 31.700 -0.684 0.000 0.898 55 E N 0.755 120.806 120.200 -0.247 0.000 2.085 55 E HA -0.251 nan 4.350 nan 0.000 0.194 55 E C 0.366 176.854 176.600 -0.186 0.000 0.994 55 E CA 5.105 61.370 56.400 -0.224 0.000 0.801 55 E CB -2.714 26.932 29.700 -0.090 0.000 0.743 55 E HN 0.730 9.012 8.360 -0.131 0.000 0.453 56 P HA -0.080 nan 4.420 nan 0.000 0.219 56 P C 1.421 178.706 177.300 -0.025 0.000 1.146 56 P CA 2.710 65.826 63.100 0.026 0.000 0.808 56 P CB -0.499 31.276 31.700 0.125 0.000 0.779 57 T N 1.705 116.156 114.554 -0.172 0.000 2.852 57 T HA -0.073 nan 4.350 nan 0.000 0.256 57 T C 1.647 176.082 174.700 -0.441 0.000 1.038 57 T CA 4.414 66.316 62.100 -0.331 0.000 1.141 57 T CB -0.366 68.470 68.868 -0.054 0.000 0.869 57 T HN -0.613 7.482 8.240 -0.222 0.012 0.439 58 R N 1.415 121.535 120.500 -0.634 0.000 2.117 58 R HA -0.431 nan 4.340 nan 0.000 0.243 58 R C 2.330 178.457 176.300 -0.287 0.000 1.143 58 R CA 3.688 59.373 56.100 -0.691 0.000 0.968 58 R CB 0.025 29.804 30.300 -0.868 0.000 0.863 58 R HN 0.209 7.902 8.270 -0.684 0.167 0.444 59 K N -3.137 117.110 120.400 -0.255 0.000 2.137 59 K HA -0.060 nan 4.320 nan 0.000 0.202 59 K C 2.351 178.838 176.600 -0.189 0.000 1.052 59 K CA 0.859 57.053 56.287 -0.154 0.000 0.961 59 K CB -0.886 31.564 32.500 -0.084 0.000 0.741 59 K HN 0.068 8.140 8.250 -0.276 0.013 0.452 60 G N -0.763 107.803 108.800 -0.390 0.000 2.440 60 G HA2 -0.205 nan 3.960 nan 0.000 0.218 60 G HA3 -0.205 nan 3.960 nan 0.000 0.218 60 G C 1.828 176.451 174.900 -0.462 0.000 1.154 60 G CA 2.128 46.830 45.100 -0.663 0.000 0.767 60 G HN -0.465 7.471 8.290 -0.436 0.092 0.552 61 V N -1.875 117.802 119.914 -0.396 0.000 2.719 61 V HA -0.078 nan 4.120 nan 0.000 0.252 61 V C 0.993 177.032 176.094 -0.091 0.000 1.065 61 V CA 2.278 64.463 62.300 -0.192 0.000 1.086 61 V CB -0.713 31.034 31.823 -0.127 0.000 0.700 61 V HN 0.156 8.086 8.190 -0.434 0.000 0.467 62 E N 1.267 121.416 120.200 -0.085 0.000 2.268 62 E HA -0.231 nan 4.350 nan 0.000 0.195 62 E C 0.997 177.582 176.600 -0.024 0.000 0.995 62 E CA 2.576 58.952 56.400 -0.040 0.000 0.836 62 E CB -0.040 29.634 29.700 -0.042 0.000 0.763 62 E HN -0.289 7.872 8.360 -0.128 0.122 0.491 63 E N -5.300 114.884 120.200 -0.027 0.000 2.660 63 E HA 0.100 nan 4.350 nan 0.000 0.216 63 E C -1.302 175.320 176.600 0.036 0.000 0.986 63 E CA -1.246 55.160 56.400 0.010 0.000 1.037 63 E CB 0.563 30.276 29.700 0.020 0.000 1.041 63 E HN -0.576 7.596 8.360 -0.061 0.152 0.480 64 A N -0.024 122.813 122.820 0.028 0.000 2.324 64 A HA 0.261 nan 4.320 nan 0.000 0.330 64 A C -0.393 177.237 177.584 0.077 0.000 1.165 64 A CA -1.568 50.514 52.037 0.075 0.000 0.813 64 A CB 2.096 21.142 19.000 0.076 0.000 1.197 64 A HN -0.688 7.346 8.150 -0.005 0.113 0.484 65 E N 0.814 121.094 120.200 0.134 0.000 2.268 65 E HA -0.275 nan 4.350 nan 0.000 0.195 65 E C -0.431 176.172 176.600 0.005 0.000 0.995 65 E CA 2.088 58.550 56.400 0.103 0.000 0.836 65 E CB 0.559 30.422 29.700 0.272 0.000 0.763 65 E HN 0.294 8.670 8.360 0.180 0.093 0.491 66 A N -3.952 118.925 122.820 0.095 0.000 2.604 66 A HA 0.395 nan 4.320 nan 0.000 0.295 66 A C -2.528 175.133 177.584 0.129 0.000 1.067 66 A CA -0.324 51.767 52.037 0.089 0.000 0.683 66 A CB 3.848 22.867 19.000 0.032 0.000 1.281 66 A HN -0.670 7.537 8.150 0.161 0.039 0.407 67 V N 0.972 120.962 119.914 0.127 0.000 2.409 67 V HA 0.673 nan 4.120 nan 0.000 0.291 67 V C -1.744 174.420 176.094 0.116 0.000 1.020 67 V CA -0.907 61.434 62.300 0.068 0.000 0.848 67 V CB 2.282 34.073 31.823 -0.053 0.000 0.990 67 V HN 0.431 8.722 8.190 0.168 0.000 0.430 68 L N 7.483 128.764 121.223 0.096 0.000 2.264 68 L HA 0.765 nan 4.340 nan 0.000 0.287 68 L C -1.809 175.087 176.870 0.043 0.000 1.039 68 L CA -1.214 53.682 54.840 0.093 0.000 0.829 68 L CB 1.365 43.464 42.059 0.066 0.000 1.211 68 L HN 0.372 8.657 8.230 0.092 0.000 0.427 69 L N 5.721 126.954 121.223 0.018 0.000 2.360 69 L HA 0.530 nan 4.340 nan 0.000 0.271 69 L C -0.755 176.136 176.870 0.035 0.000 1.057 69 L CA -1.054 53.778 54.840 -0.013 0.000 0.803 69 L CB 2.590 44.607 42.059 -0.069 0.000 1.207 69 L HN 0.613 8.867 8.230 0.040 0.000 0.445 70 G N 1.646 110.487 108.800 0.068 0.000 3.019 70 G HA2 0.459 nan 3.960 nan 0.000 0.152 70 G HA3 0.459 nan 3.960 nan 0.000 0.152 70 G C -1.855 173.113 174.900 0.114 0.000 1.320 70 G CA -0.827 44.331 45.100 0.098 0.000 1.013 70 G HN 0.230 8.568 8.290 0.079 0.000 0.593 71 S N -0.980 114.809 115.700 0.148 0.000 2.707 71 S HA 0.203 nan 4.470 nan 0.000 0.276 71 S C -1.159 173.512 174.600 0.118 0.000 1.179 71 S CA -0.846 57.443 58.200 0.148 0.000 0.992 71 S CB 1.962 65.273 63.200 0.186 0.000 1.030 71 S HN -0.290 8.110 8.310 0.150 0.000 0.554 72 V N -0.956 119.012 119.914 0.090 0.000 3.120 72 V HA 0.434 nan 4.120 nan 0.000 0.303 72 V C -0.988 175.124 176.094 0.030 0.000 1.238 72 V CA -0.002 62.312 62.300 0.024 0.000 1.008 72 V CB 3.919 35.753 31.823 0.019 0.000 1.064 72 V HN 0.209 8.458 8.190 0.098 0.000 0.434 73 G N 3.283 112.081 108.800 -0.003 0.000 2.707 73 G HA2 -0.205 nan 3.960 nan 0.000 0.686 73 G HA3 -0.205 nan 3.960 nan 0.000 0.686 73 G C -2.243 172.835 174.900 0.297 0.000 1.315 73 G CA -0.015 45.160 45.100 0.124 0.000 0.832 73 G HN 0.445 8.896 8.290 -0.126 -0.236 0.573 74 G N -3.679 105.346 108.800 0.376 0.000 2.380 74 G HA2 0.085 nan 3.960 nan 0.000 0.305 74 G HA3 0.085 nan 3.960 nan 0.000 0.305 74 G C -2.908 172.079 174.900 0.145 0.000 1.672 74 G CA -0.275 45.009 45.100 0.306 0.000 0.904 74 G HN -0.691 8.033 8.290 0.325 -0.239 0.686 75 P HA -0.380 nan 4.420 nan 0.000 0.219 75 P C 0.606 177.827 177.300 -0.131 0.000 1.149 75 P CA 1.913 64.988 63.100 -0.042 0.000 0.835 75 P CB 0.441 32.108 31.700 -0.054 0.000 0.778 76 K N -3.195 117.010 120.400 -0.325 0.000 2.002 76 K HA -0.156 nan 4.320 nan 0.000 0.209 76 K C 1.933 178.257 176.600 -0.461 0.000 1.048 76 K CA 2.400 58.342 56.287 -0.574 0.000 0.930 76 K CB -0.379 31.427 32.500 -1.157 0.000 0.714 76 K HN -0.123 7.870 8.250 -0.350 0.048 0.438 77 W N -3.892 117.404 121.300 -0.006 0.000 3.290 77 W HA 0.178 nan 4.660 nan 0.000 0.287 77 W C 0.965 177.475 176.519 -0.016 0.000 1.288 77 W CA -0.173 57.165 57.345 -0.011 0.000 1.725 77 W CB -0.035 29.415 29.460 -0.016 0.000 1.103 77 W HN -0.340 7.751 8.180 -0.149 0.000 0.670 78 D N 0.941 121.438 120.400 0.161 0.000 2.218 78 D HA -0.142 nan 4.640 nan 0.000 0.204 78 D C 1.343 177.677 176.300 0.057 0.000 0.976 78 D CA 3.278 57.337 54.000 0.099 0.000 0.853 78 D CB -0.366 40.472 40.800 0.064 0.000 0.939 78 D HN -0.546 7.714 8.370 0.099 0.169 0.481 79 G N -3.487 105.336 108.800 0.040 0.000 3.523 79 G HA2 0.144 nan 3.960 nan 0.000 0.270 79 G HA3 0.144 nan 3.960 nan 0.000 0.270 79 G C -0.120 174.797 174.900 0.028 0.000 1.134 79 G CA -0.863 44.250 45.100 0.022 0.000 0.825 79 G HN -0.110 8.176 8.290 0.032 0.024 0.534 80 L N 0.684 121.938 121.223 0.052 0.000 2.490 80 L HA 0.212 nan 4.340 nan 0.000 0.245 80 L C -2.159 174.732 176.870 0.034 0.000 1.185 80 L CA -1.809 53.062 54.840 0.052 0.000 0.813 80 L CB -0.429 41.681 42.059 0.086 0.000 1.233 80 L HN -0.920 7.288 8.230 0.073 0.066 0.489 81 P HA 0.111 nan 4.420 nan 0.000 0.276 81 P C 0.163 177.473 177.300 0.017 0.000 1.230 81 P CA -0.328 62.784 63.100 0.019 0.000 0.776 81 P CB 0.604 32.315 31.700 0.019 0.000 0.888 82 R N 5.702 126.207 120.500 0.009 0.000 2.174 82 R HA -0.525 nan 4.340 nan 0.000 0.253 82 R C 1.831 178.134 176.300 0.006 0.000 1.165 82 R CA 3.889 59.991 56.100 0.004 0.000 0.984 82 R CB 0.066 30.364 30.300 -0.003 0.000 0.873 82 R HN 0.656 8.929 8.270 0.005 0.000 0.456 83 K N -2.876 117.531 120.400 0.011 0.000 2.209 83 K HA -0.213 nan 4.320 nan 0.000 0.204 83 K C 0.801 177.410 176.600 0.015 0.000 1.048 83 K CA 2.444 58.740 56.287 0.015 0.000 0.940 83 K CB -0.183 32.329 32.500 0.019 0.000 0.729 83 K HN -0.070 8.157 8.250 0.012 0.030 0.451 84 I N -9.990 110.589 120.570 0.015 0.000 4.009 84 I HA 0.229 nan 4.170 nan 0.000 0.331 84 I C -0.248 175.866 176.117 -0.004 0.000 1.462 84 I CA -2.021 59.285 61.300 0.009 0.000 1.117 84 I CB 0.631 38.648 38.000 0.028 0.000 1.091 84 I HN -0.299 7.894 8.210 0.018 0.028 0.410 85 R N 3.023 123.522 120.500 -0.001 0.000 2.623 85 R HA 0.063 nan 4.340 nan 0.000 0.271 85 R C -0.454 175.809 176.300 -0.061 0.000 1.043 85 R CA -0.855 55.246 56.100 0.001 0.000 1.083 85 R CB 0.315 30.619 30.300 0.006 0.000 0.974 85 R HN -0.621 7.534 8.270 0.001 0.116 0.436 86 P HA -0.181 nan 4.420 nan 0.000 0.218 86 P C 0.644 177.833 177.300 -0.184 0.000 1.148 86 P CA 2.378 65.354 63.100 -0.208 0.000 0.822 86 P CB 0.075 31.652 31.700 -0.204 0.000 0.784 87 E N -2.758 117.390 120.200 -0.088 0.000 2.110 87 E HA -0.269 nan 4.350 nan 0.000 0.193 87 E C 2.271 178.829 176.600 -0.071 0.000 0.988 87 E CA 3.475 59.837 56.400 -0.063 0.000 0.804 87 E CB -1.188 28.495 29.700 -0.029 0.000 0.745 87 E HN 0.386 8.694 8.360 -0.050 0.023 0.458 88 T N 2.409 116.922 114.554 -0.068 0.000 2.897 88 T HA -0.176 nan 4.350 nan 0.000 0.271 88 T C 1.681 176.338 174.700 -0.072 0.000 1.084 88 T CA 4.377 66.447 62.100 -0.050 0.000 1.123 88 T CB -0.662 68.189 68.868 -0.028 0.000 0.865 88 T HN -0.322 7.778 8.240 -0.062 0.102 0.496 89 G N 0.757 109.460 108.800 -0.161 0.000 2.418 89 G HA2 -0.231 nan 3.960 nan 0.000 0.217 89 G HA3 -0.231 nan 3.960 nan 0.000 0.217 89 G C 0.707 175.556 174.900 -0.086 0.000 1.158 89 G CA 1.957 46.915 45.100 -0.237 0.000 0.771 89 G HN -0.418 7.599 8.290 -0.201 0.152 0.545 90 L N 1.473 122.686 121.223 -0.016 0.000 2.017 90 L HA -0.386 nan 4.340 nan 0.000 0.208 90 L C 1.846 178.684 176.870 -0.054 0.000 1.073 90 L CA 2.656 57.519 54.840 0.039 0.000 0.745 90 L CB -0.278 41.800 42.059 0.031 0.000 0.894 90 L HN -0.600 7.478 8.230 -0.083 0.102 0.432 91 L N -1.791 119.407 121.223 -0.042 0.000 2.012 91 L HA -0.528 nan 4.340 nan 0.000 0.210 91 L C 2.211 179.053 176.870 -0.046 0.000 1.073 91 L CA 3.631 58.453 54.840 -0.029 0.000 0.748 91 L CB -0.777 41.282 42.059 0.001 0.000 0.891 91 L HN -0.679 7.529 8.230 -0.036 0.000 0.431 92 S N -0.864 114.807 115.700 -0.048 0.000 2.399 92 S HA -0.334 nan 4.470 nan 0.000 0.231 92 S C 2.292 176.821 174.600 -0.119 0.000 1.022 92 S CA 3.792 61.986 58.200 -0.010 0.000 0.983 92 S CB -0.267 63.000 63.200 0.112 0.000 0.803 92 S HN -0.153 8.132 8.310 -0.042 0.000 0.480 93 L N 1.700 122.697 121.223 -0.377 0.000 2.023 93 L HA -0.269 nan 4.340 nan 0.000 0.205 93 L C 1.707 178.450 176.870 -0.211 0.000 1.073 93 L CA 2.850 57.383 54.840 -0.513 0.000 0.745 93 L CB -0.294 41.394 42.059 -0.620 0.000 0.900 93 L HN -0.158 7.755 8.230 -0.323 0.123 0.435 94 R N -0.561 119.839 120.500 -0.166 0.000 2.097 94 R HA -0.446 nan 4.340 nan 0.000 0.236 94 R C 2.128 178.386 176.300 -0.070 0.000 1.135 94 R CA 3.690 59.721 56.100 -0.115 0.000 0.934 94 R CB -0.308 29.937 30.300 -0.092 0.000 0.846 94 R HN 0.131 8.297 8.270 -0.172 0.000 0.431 95 K N -1.560 118.812 120.400 -0.047 0.000 2.044 95 K HA -0.314 nan 4.320 nan 0.000 0.210 95 K C 2.911 179.514 176.600 0.004 0.000 1.049 95 K CA 3.246 59.522 56.287 -0.018 0.000 0.927 95 K CB -0.143 32.355 32.500 -0.004 0.000 0.713 95 K HN 0.300 8.519 8.250 -0.052 0.000 0.443 96 S N -0.425 115.291 115.700 0.027 0.000 2.442 96 S HA -0.202 nan 4.470 nan 0.000 0.236 96 S C 1.332 175.951 174.600 0.031 0.000 1.007 96 S CA 3.049 61.285 58.200 0.059 0.000 0.965 96 S CB -0.348 62.945 63.200 0.154 0.000 0.773 96 S HN -0.252 8.071 8.310 0.022 0.000 0.504 97 Q N -1.120 118.678 119.800 -0.003 0.000 2.282 97 Q HA 0.294 nan 4.340 nan 0.000 0.206 97 Q C -1.239 174.755 176.000 -0.009 0.000 0.878 97 Q CA -1.217 54.575 55.803 -0.019 0.000 0.944 97 Q CB 0.384 29.085 28.738 -0.062 0.000 1.100 97 Q HN -0.637 7.472 8.270 -0.024 0.147 0.509 98 D N -0.249 120.158 120.400 0.011 0.000 2.689 98 D HA -0.401 nan 4.640 nan 0.000 0.237 98 D C -1.398 174.950 176.300 0.080 0.000 1.148 98 D CA 1.438 55.481 54.000 0.071 0.000 0.656 98 D CB -0.776 40.090 40.800 0.111 0.000 1.050 98 D HN -0.353 7.838 8.370 0.003 0.181 0.426 99 L N -1.397 119.795 121.223 -0.051 0.000 2.325 99 L HA 0.072 nan 4.340 nan 0.000 0.284 99 L C -0.220 176.574 176.870 -0.127 0.000 1.089 99 L CA -0.158 54.554 54.840 -0.212 0.000 0.836 99 L CB -0.940 40.987 42.059 -0.220 0.000 1.184 99 L HN -0.799 7.399 8.230 -0.053 0.000 0.444 100 F N 0.530 120.444 119.950 -0.059 0.000 2.717 100 F HA 0.411 nan 4.527 nan 0.000 0.297 100 F C -1.291 174.499 175.800 -0.016 0.000 1.113 100 F CA -1.850 56.130 58.000 -0.033 0.000 1.319 100 F CB 0.887 39.881 39.000 -0.010 0.000 1.097 100 F HN -0.322 7.319 8.300 -1.098 0.000 0.595 101 A N -0.319 122.310 122.820 -0.319 0.000 2.318 101 A HA 0.410 nan 4.320 nan 0.000 0.324 101 A C -2.641 174.821 177.584 -0.203 0.000 1.170 101 A CA -1.675 50.270 52.037 -0.153 0.000 0.810 101 A CB 1.401 20.282 19.000 -0.198 0.000 1.198 101 A HN -0.096 7.606 8.150 -0.747 0.000 0.484 102 N N 2.660 121.290 118.700 -0.116 0.000 2.443 102 N HA 0.528 nan 4.740 nan 0.000 0.269 102 N C -1.938 173.492 175.510 -0.133 0.000 0.985 102 N CA -1.043 51.924 53.050 -0.138 0.000 0.921 102 N CB 2.668 41.111 38.487 -0.074 0.000 1.195 102 N HN 0.171 8.522 8.380 -0.048 0.000 0.492 103 L N 6.009 127.118 121.223 -0.191 0.000 2.275 103 L HA 0.489 nan 4.340 nan 0.000 0.288 103 L C -1.481 175.319 176.870 -0.117 0.000 1.046 103 L CA -0.247 54.495 54.840 -0.164 0.000 0.805 103 L CB 0.858 42.766 42.059 -0.250 0.000 1.193 103 L HN 0.813 8.777 8.230 -0.252 0.115 0.426 104 R N 2.440 122.897 120.500 -0.072 0.000 2.521 104 R HA 0.500 nan 4.340 nan 0.000 0.295 104 R C -2.834 173.447 176.300 -0.031 0.000 1.183 104 R CA -3.054 53.017 56.100 -0.048 0.000 0.957 104 R CB 1.538 31.813 30.300 -0.041 0.000 1.171 104 R HN 0.700 8.825 8.270 -0.066 0.105 0.494 105 P HA 0.506 nan 4.420 nan 0.000 0.281 105 P C -1.873 175.407 177.300 -0.033 0.000 1.249 105 P CA -0.895 62.196 63.100 -0.015 0.000 0.810 105 P CB 0.839 32.541 31.700 0.005 0.000 1.008 106 A N 2.107 124.900 122.820 -0.045 0.000 2.375 106 A HA 0.367 nan 4.320 nan 0.000 0.295 106 A C -2.586 174.936 177.584 -0.102 0.000 1.066 106 A CA -0.927 51.074 52.037 -0.060 0.000 0.722 106 A CB 2.869 21.851 19.000 -0.030 0.000 1.206 106 A HN 0.867 8.994 8.150 -0.037 0.000 0.435 107 K N 2.542 122.828 120.400 -0.190 0.000 2.498 107 K HA 0.627 nan 4.320 nan 0.000 0.254 107 K C -1.262 175.134 176.600 -0.340 0.000 0.933 107 K CA -0.952 55.153 56.287 -0.303 0.000 0.806 107 K CB 4.180 36.373 32.500 -0.510 0.000 1.301 107 K HN -0.032 8.105 8.250 -0.189 0.000 0.432 108 V N 6.568 126.349 119.914 -0.222 0.000 2.239 108 V HA 0.238 nan 4.120 nan 0.000 0.267 108 V C -0.801 175.263 176.094 -0.050 0.000 1.056 108 V CA -1.196 61.043 62.300 -0.103 0.000 0.830 108 V CB -0.613 31.193 31.823 -0.029 0.000 1.090 108 V HN 0.486 8.473 8.190 -0.175 0.098 0.459 109 F N 7.264 127.229 119.950 0.024 0.000 2.635 109 F HA -0.117 nan 4.527 nan 0.000 0.379 109 F C -0.868 174.943 175.800 0.017 0.000 1.094 109 F CA -1.780 56.233 58.000 0.022 0.000 1.300 109 F CB -0.390 38.625 39.000 0.025 0.000 1.035 109 F HN -0.528 7.680 8.300 -0.153 0.000 0.581 110 P HA -0.257 nan 4.420 nan 0.000 0.257 110 P C -0.652 176.711 177.300 0.104 0.000 1.189 110 P CA 0.911 64.084 63.100 0.121 0.000 0.780 110 P CB -1.390 30.367 31.700 0.095 0.000 0.772 111 G N 3.029 111.880 108.800 0.085 0.000 2.428 111 G HA2 -0.273 nan 3.960 nan 0.000 0.199 111 G HA3 -0.273 nan 3.960 nan 0.000 0.199 111 G C -0.212 174.731 174.900 0.072 0.000 1.005 111 G CA 0.078 45.218 45.100 0.066 0.000 0.671 111 G HN -0.239 8.432 8.290 0.080 -0.332 0.485 112 L N 0.077 121.361 121.223 0.102 0.000 2.848 112 L HA 0.147 nan 4.340 nan 0.000 0.240 112 L C 0.681 177.595 176.870 0.073 0.000 1.232 112 L CA -0.667 54.230 54.840 0.096 0.000 1.031 112 L CB -0.855 41.287 42.059 0.139 0.000 1.338 112 L HN -0.009 8.302 8.230 0.135 0.000 0.509 113 E N 1.096 121.331 120.200 0.058 0.000 2.265 113 E HA -0.323 nan 4.350 nan 0.000 0.196 113 E C 2.103 178.724 176.600 0.035 0.000 0.996 113 E CA 3.681 60.105 56.400 0.040 0.000 0.832 113 E CB -0.948 28.771 29.700 0.032 0.000 0.756 113 E HN 0.445 8.762 8.360 0.059 0.078 0.491 114 R N -0.749 119.773 120.500 0.036 0.000 2.105 114 R HA -0.274 nan 4.340 nan 0.000 0.239 114 R C 1.712 178.030 176.300 0.030 0.000 1.135 114 R CA 2.550 58.668 56.100 0.031 0.000 0.967 114 R CB -0.332 29.986 30.300 0.031 0.000 0.861 114 R HN -0.083 8.173 8.270 0.041 0.038 0.442 115 L N -2.241 119.004 121.223 0.037 0.000 2.291 115 L HA -0.105 nan 4.340 nan 0.000 0.214 115 L C 0.577 177.465 176.870 0.030 0.000 1.120 115 L CA 0.681 55.542 54.840 0.035 0.000 0.799 115 L CB 0.194 42.279 42.059 0.044 0.000 0.925 115 L HN -0.604 7.636 8.230 0.044 0.016 0.446 116 S N -0.375 115.342 115.700 0.029 0.000 2.564 116 S HA 0.072 nan 4.470 nan 0.000 0.278 116 S C -1.013 173.599 174.600 0.020 0.000 1.333 116 S CA -1.268 56.946 58.200 0.023 0.000 1.048 116 S CB 0.562 63.775 63.200 0.021 0.000 0.900 116 S HN -0.665 7.503 8.310 0.031 0.161 0.505 117 P HA -0.033 nan 4.420 nan 0.000 0.220 117 P C -1.245 176.065 177.300 0.017 0.000 1.148 117 P CA 0.565 63.676 63.100 0.017 0.000 0.803 117 P CB 0.221 31.931 31.700 0.017 0.000 0.782 118 L N -2.059 119.175 121.223 0.018 0.000 2.466 118 L HA -0.015 nan 4.340 nan 0.000 0.257 118 L C 0.253 177.133 176.870 0.016 0.000 1.189 118 L CA -0.862 53.989 54.840 0.018 0.000 0.813 118 L CB 0.372 42.443 42.059 0.020 0.000 1.118 118 L HN -0.776 7.423 8.230 0.019 0.043 0.471 119 K N 0.447 120.855 120.400 0.014 0.000 2.276 119 K HA -0.127 nan 4.320 nan 0.000 0.259 119 K C 0.843 177.450 176.600 0.011 0.000 1.001 119 K CA 0.589 56.883 56.287 0.012 0.000 0.927 119 K CB 0.491 32.997 32.500 0.010 0.000 0.969 119 K HN -0.008 8.251 8.250 0.015 0.000 0.490 120 E N 2.138 122.345 120.200 0.011 0.000 2.338 120 E HA -0.309 nan 4.350 nan 0.000 0.197 120 E C 2.167 178.772 176.600 0.007 0.000 1.007 120 E CA 2.756 59.163 56.400 0.011 0.000 0.849 120 E CB -0.088 29.620 29.700 0.013 0.000 0.774 120 E HN 0.609 8.975 8.360 0.011 0.000 0.506 121 E N -2.539 117.663 120.200 0.004 0.000 2.158 121 E HA -0.190 nan 4.350 nan 0.000 0.191 121 E C 1.051 177.647 176.600 -0.006 0.000 0.982 121 E CA 1.926 58.325 56.400 -0.002 0.000 0.823 121 E CB -0.430 29.267 29.700 -0.005 0.000 0.766 121 E HN 0.369 8.694 8.360 0.004 0.038 0.468 122 I N -6.501 114.068 120.570 -0.001 0.000 2.852 122 I HA -0.007 nan 4.170 nan 0.000 0.264 122 I C 1.059 177.178 176.117 0.002 0.000 1.179 122 I CA 1.128 62.427 61.300 -0.002 0.000 1.480 122 I CB 0.054 38.058 38.000 0.005 0.000 1.111 122 I HN -0.753 7.439 8.210 0.003 0.019 0.441 123 A N -1.135 121.689 122.820 0.007 0.000 2.072 123 A HA -0.131 nan 4.320 nan 0.000 0.216 123 A C -0.088 177.498 177.584 0.003 0.000 1.156 123 A CA 0.831 52.873 52.037 0.008 0.000 0.701 123 A CB 0.017 19.025 19.000 0.013 0.000 0.816 123 A HN -0.254 7.901 8.150 0.008 0.000 0.458 124 R N 0.287 120.789 120.500 0.003 0.000 2.540 124 R HA -0.296 nan 4.340 nan 0.000 0.317 124 R C -0.002 176.295 176.300 -0.005 0.000 1.233 124 R CA 1.131 57.233 56.100 0.003 0.000 1.003 124 R CB -1.364 28.939 30.300 0.005 0.000 1.034 124 R HN -0.559 7.678 8.270 0.003 0.035 0.483 125 G N 3.685 112.482 108.800 -0.006 0.000 2.367 125 G HA2 -0.304 nan 3.960 nan 0.000 0.181 125 G HA3 -0.304 nan 3.960 nan 0.000 0.181 125 G C -1.301 173.587 174.900 -0.020 0.000 1.000 125 G CA -0.507 44.585 45.100 -0.014 0.000 0.693 125 G HN -0.154 8.133 8.290 -0.004 0.000 0.480 126 V N 2.672 122.574 119.914 -0.020 0.000 2.584 126 V HA -0.232 nan 4.120 nan 0.000 0.303 126 V C -1.345 174.723 176.094 -0.044 0.000 1.035 126 V CA 1.633 63.923 62.300 -0.016 0.000 1.172 126 V CB -0.628 31.188 31.823 -0.011 0.000 0.896 126 V HN -0.507 7.674 8.190 -0.016 0.000 0.486 127 D N 6.875 127.263 120.400 -0.020 0.000 2.881 127 D HA 0.071 nan 4.640 nan 0.000 0.238 127 D C -2.541 173.766 176.300 0.011 0.000 1.368 127 D CA 0.512 54.490 54.000 -0.038 0.000 0.871 127 D CB 1.736 42.512 40.800 -0.039 0.000 1.516 127 D HN 0.075 8.453 8.370 0.014 0.000 0.544 128 V N 2.810 122.735 119.914 0.019 0.000 2.513 128 V HA 0.739 nan 4.120 nan 0.000 0.299 128 V C -2.841 173.260 176.094 0.012 0.000 1.035 128 V CA -2.537 59.791 62.300 0.048 0.000 0.889 128 V CB 3.635 35.508 31.823 0.084 0.000 0.988 128 V HN 0.622 8.810 8.190 -0.004 0.000 0.440 129 L N 8.963 130.192 121.223 0.010 0.000 2.294 129 L HA 0.735 nan 4.340 nan 0.000 0.283 129 L C -2.135 174.716 176.870 -0.032 0.000 1.015 129 L CA -1.421 53.416 54.840 -0.005 0.000 0.831 129 L CB 2.201 44.269 42.059 0.016 0.000 1.217 129 L HN 0.510 8.753 8.230 0.022 0.000 0.420 130 I N 8.131 128.677 120.570 -0.041 0.000 2.312 130 I HA 0.284 nan 4.170 nan 0.000 0.291 130 I C -1.149 174.934 176.117 -0.055 0.000 1.031 130 I CA -1.442 59.825 61.300 -0.055 0.000 1.293 130 I CB -0.681 37.289 38.000 -0.050 0.000 1.403 130 I HN 0.511 8.601 8.210 -0.034 0.100 0.484 131 V N 9.371 129.250 119.914 -0.059 0.000 2.370 131 V HA 0.494 nan 4.120 nan 0.000 0.279 131 V C -1.588 174.499 176.094 -0.012 0.000 1.029 131 V CA -1.078 61.191 62.300 -0.050 0.000 0.870 131 V CB -0.032 31.754 31.823 -0.062 0.000 0.984 131 V HN 1.101 9.250 8.190 -0.068 0.000 0.451 132 R N 5.837 126.339 120.500 0.003 0.000 2.854 132 R HA 0.843 nan 4.340 nan 0.000 0.271 132 R C -1.632 174.729 176.300 0.100 0.000 0.996 132 R CA -2.556 53.569 56.100 0.043 0.000 0.961 132 R CB 3.226 33.543 30.300 0.028 0.000 1.182 132 R HN 0.845 9.102 8.270 -0.020 0.000 0.479 133 E N 0.538 120.831 120.200 0.155 0.000 2.229 133 E HA 0.106 nan 4.350 nan 0.000 0.283 133 E C -0.573 176.149 176.600 0.203 0.000 1.030 133 E CA -0.182 56.366 56.400 0.247 0.000 0.836 133 E CB 0.662 30.587 29.700 0.375 0.000 1.068 133 E HN -0.203 8.225 8.360 0.114 0.000 0.401 134 L N 4.904 126.240 121.223 0.188 0.000 2.590 134 L HA 0.160 nan 4.340 nan 0.000 0.227 134 L C -0.079 176.851 176.870 0.100 0.000 1.099 134 L CA 0.206 55.138 54.840 0.152 0.000 0.872 134 L CB 1.316 43.424 42.059 0.082 0.000 1.088 134 L HN 0.625 8.886 8.230 0.216 0.098 0.479 135 T N -4.382 110.203 114.554 0.051 0.000 3.393 135 T HA 0.283 nan 4.350 nan 0.000 0.255 135 T C -0.193 174.378 174.700 -0.214 0.000 1.008 135 T CA -1.185 60.798 62.100 -0.195 0.000 1.053 135 T CB 0.256 69.040 68.868 -0.140 0.000 1.120 135 T HN -0.604 8.000 8.240 0.147 -0.276 0.538 136 G N -0.004 108.750 108.800 -0.076 0.000 2.427 136 G HA2 0.231 nan 3.960 nan 0.000 0.306 136 G HA3 0.231 nan 3.960 nan 0.000 0.306 136 G C -1.389 173.391 174.900 -0.200 0.000 1.280 136 G CA 0.451 45.429 45.100 -0.203 0.000 0.837 136 G HN -0.759 7.596 8.290 0.089 -0.011 0.482 137 G N -1.269 107.159 108.800 -0.618 0.000 2.698 137 G HA2 -0.346 nan 3.960 nan 0.000 0.225 137 G HA3 -0.346 nan 3.960 nan 0.000 0.225 137 G C -0.080 174.708 174.900 -0.188 0.000 1.345 137 G CA -0.471 44.388 45.100 -0.403 0.000 0.871 137 G HN -0.429 7.337 8.290 -0.873 0.000 0.540 138 I N 0.919 121.361 120.570 -0.213 0.000 2.315 138 I HA -0.411 nan 4.170 nan 0.000 0.251 138 I C 0.327 176.413 176.117 -0.052 0.000 1.125 138 I CA 2.495 63.705 61.300 -0.150 0.000 1.392 138 I CB 0.061 37.937 38.000 -0.208 0.000 1.065 138 I HN 0.148 8.342 8.210 -0.272 -0.147 0.424 139 Y N -4.499 115.712 120.300 -0.149 0.000 2.256 139 Y HA -0.296 nan 4.550 nan 0.000 0.288 139 Y C 1.931 177.479 175.900 -0.586 0.000 1.155 139 Y CA 1.037 58.931 58.100 -0.342 0.000 1.203 139 Y CB -0.373 37.883 38.460 -0.339 0.000 0.980 139 Y HN -0.167 7.965 8.280 -0.194 0.031 0.530 140 F N -3.314 116.659 119.950 0.038 0.000 2.789 140 F HA 0.115 nan 4.527 nan 0.000 0.320 140 F C 0.512 176.278 175.800 -0.056 0.000 1.079 140 F CA 0.264 58.252 58.000 -0.019 0.000 1.205 140 F CB 1.853 40.838 39.000 -0.025 0.000 1.046 140 F HN -0.617 7.786 8.300 0.222 0.030 0.586 141 G N 0.503 109.345 108.800 0.071 0.000 2.353 141 G HA2 -0.190 nan 3.960 nan 0.000 0.239 141 G HA3 -0.190 nan 3.960 nan 0.000 0.239 141 G C -1.234 173.665 174.900 -0.001 0.000 1.295 141 G CA 0.291 45.395 45.100 0.007 0.000 0.884 141 G HN -0.329 7.992 8.290 0.051 0.000 0.537 142 E N 2.465 122.672 120.200 0.011 0.000 2.221 142 E HA 0.352 nan 4.350 nan 0.000 0.268 142 E C -1.282 175.354 176.600 0.060 0.000 0.933 142 E CA -3.122 53.292 56.400 0.022 0.000 0.809 142 E CB 1.537 31.252 29.700 0.025 0.000 1.190 142 E HN 0.047 8.414 8.360 0.011 0.000 0.406 143 P HA 0.035 nan 4.420 nan 0.000 0.274 143 P C -1.777 175.529 177.300 0.010 0.000 1.260 143 P CA -0.060 63.151 63.100 0.185 0.000 0.793 143 P CB 0.645 32.642 31.700 0.496 0.000 1.048 144 R N -3.886 116.438 120.500 -0.293 0.000 2.692 144 R HA 0.706 nan 4.340 nan 0.000 0.269 144 R C -1.267 174.307 176.300 -1.211 0.000 1.030 144 R CA -0.717 54.960 56.100 -0.706 0.000 0.882 144 R CB 3.984 34.065 30.300 -0.366 0.000 1.250 144 R HN 0.043 8.205 8.270 -0.180 0.000 0.465 145 G N -1.773 106.109 108.800 -1.530 0.000 2.316 145 G HA2 0.066 nan 3.960 nan 0.000 0.296 145 G HA3 0.066 nan 3.960 nan 0.000 0.296 145 G C -3.657 170.639 174.900 -1.007 0.000 1.399 145 G CA 0.463 44.694 45.100 -1.449 0.000 0.833 145 G HN 0.324 7.869 8.290 -1.242 0.000 0.565 146 M N -1.451 117.900 119.600 -0.416 0.000 2.744 146 M HA 0.883 nan 4.480 nan 0.000 0.283 146 M C -1.660 174.720 176.300 0.133 0.000 1.275 146 M CA -1.348 53.913 55.300 -0.065 0.000 0.796 146 M CB 3.820 36.370 32.600 -0.083 0.000 1.739 146 M HN -0.049 8.053 8.290 -0.314 0.000 0.454 147 S N -1.462 114.310 115.700 0.120 0.000 3.047 147 S HA 0.157 nan 4.470 nan 0.000 0.308 147 S C -1.562 173.078 174.600 0.067 0.000 1.245 147 S CA 0.242 58.511 58.200 0.115 0.000 1.109 147 S CB 0.879 64.177 63.200 0.164 0.000 1.417 147 S HN 0.202 8.562 8.310 0.083 0.000 0.555 148 E N -0.331 119.902 120.200 0.056 0.000 2.539 148 E HA 0.253 nan 4.350 nan 0.000 0.215 148 E C -1.426 175.195 176.600 0.035 0.000 0.965 148 E CA -0.056 56.366 56.400 0.036 0.000 1.019 148 E CB 0.719 30.434 29.700 0.025 0.000 1.059 148 E HN 0.382 8.778 8.360 0.060 0.000 0.496 149 A N -0.019 122.829 122.820 0.046 0.000 2.013 149 A HA 0.053 nan 4.320 nan 0.000 0.204 149 A C -0.494 177.121 177.584 0.052 0.000 1.262 149 A CA 1.213 53.273 52.037 0.037 0.000 0.800 149 A CB 0.827 19.842 19.000 0.026 0.000 0.909 149 A HN -0.324 7.807 8.150 0.061 0.055 0.472 150 E N -3.579 116.675 120.200 0.089 0.000 2.425 150 E HA 0.205 nan 4.350 nan 0.000 0.272 150 E C -2.632 174.097 176.600 0.214 0.000 1.061 150 E CA -1.295 55.180 56.400 0.125 0.000 0.877 150 E CB 2.200 31.965 29.700 0.108 0.000 1.590 150 E HN -0.212 8.213 8.360 0.107 0.000 0.462 151 A N -1.760 121.220 122.820 0.266 0.000 2.606 151 A HA 0.611 nan 4.320 nan 0.000 0.293 151 A C -2.356 175.474 177.584 0.411 0.000 1.082 151 A CA -0.753 51.449 52.037 0.275 0.000 0.685 151 A CB 2.394 21.432 19.000 0.065 0.000 1.284 151 A HN -0.045 8.239 8.150 0.222 0.000 0.408 152 W N -0.681 120.608 121.300 -0.019 0.000 3.248 152 W HA 0.229 nan 4.660 nan 0.000 0.311 152 W C -3.209 173.296 176.519 -0.024 0.000 1.258 152 W CA -0.911 56.422 57.345 -0.020 0.000 1.191 152 W CB 1.677 31.127 29.460 -0.018 0.000 1.389 152 W HN 0.743 8.765 8.180 -0.263 0.000 0.561 153 N N -0.761 117.969 118.700 0.049 0.000 2.405 153 N HA 0.425 nan 4.740 nan 0.000 0.274 153 N C -1.677 173.859 175.510 0.042 0.000 1.170 153 N CA -0.133 52.887 53.050 -0.051 0.000 0.848 153 N CB 4.338 42.777 38.487 -0.080 0.000 1.629 153 N HN -0.125 8.361 8.380 0.176 0.000 0.481 154 T N 2.296 116.862 114.554 0.019 0.000 2.792 154 T HA 0.190 nan 4.350 nan 0.000 0.280 154 T C -1.326 173.359 174.700 -0.025 0.000 0.990 154 T CA -0.441 61.674 62.100 0.026 0.000 0.960 154 T CB 1.482 70.380 68.868 0.049 0.000 0.939 154 T HN 0.023 8.253 8.240 -0.017 0.000 0.439 155 E N 5.613 125.792 120.200 -0.035 0.000 2.044 155 E HA 0.014 nan 4.350 nan 0.000 0.282 155 E C -1.472 175.097 176.600 -0.051 0.000 1.031 155 E CA -0.508 55.852 56.400 -0.068 0.000 0.824 155 E CB 0.775 30.431 29.700 -0.072 0.000 1.076 155 E HN 0.318 8.668 8.360 -0.015 0.000 0.395 156 R N 5.765 126.199 120.500 -0.110 0.000 2.686 156 R HA 0.333 nan 4.340 nan 0.000 0.286 156 R C -1.992 174.174 176.300 -0.223 0.000 0.969 156 R CA -0.769 55.264 56.100 -0.112 0.000 0.898 156 R CB 3.037 33.277 30.300 -0.099 0.000 1.183 156 R HN 0.098 8.272 8.270 -0.160 0.000 0.456 157 Y N 0.044 120.306 120.300 -0.064 0.000 2.504 157 Y HA 0.280 nan 4.550 nan 0.000 0.344 157 Y C -1.183 174.646 175.900 -0.118 0.000 1.023 157 Y CA -0.872 57.240 58.100 0.021 0.000 1.020 157 Y CB 3.831 42.429 38.460 0.229 0.000 1.282 157 Y HN 0.144 8.393 8.280 -0.053 0.000 0.454 158 S N 3.033 118.906 115.700 0.287 0.000 2.542 158 S HA 0.407 nan 4.470 nan 0.000 0.293 158 S C 0.380 175.240 174.600 0.434 0.000 1.089 158 S CA -1.789 56.547 58.200 0.227 0.000 0.961 158 S CB 3.269 66.523 63.200 0.089 0.000 1.062 158 S HN 0.070 8.786 8.310 0.388 -0.173 0.483 159 K N 4.475 125.180 120.400 0.509 0.000 2.049 159 K HA -0.333 nan 4.320 nan 0.000 0.219 159 K C -0.397 176.249 176.600 0.078 0.000 1.056 159 K CA 4.414 60.852 56.287 0.252 0.000 0.946 159 K CB -2.055 30.543 32.500 0.164 0.000 0.723 159 K HN 0.779 9.372 8.250 0.572 0.000 0.453 160 P HA -0.258 nan 4.420 nan 0.000 0.216 160 P C 1.833 179.097 177.300 -0.060 0.000 1.153 160 P CA 3.213 66.299 63.100 -0.024 0.000 0.858 160 P CB -0.433 31.249 31.700 -0.029 0.000 0.789 161 E N -2.116 118.099 120.200 0.025 0.000 2.058 161 E HA -0.351 nan 4.350 nan 0.000 0.194 161 E C 2.515 179.140 176.600 0.042 0.000 0.997 161 E CA 3.167 59.603 56.400 0.060 0.000 0.801 161 E CB -0.358 29.513 29.700 0.285 0.000 0.746 161 E HN -0.436 7.969 8.360 0.088 0.008 0.450 162 V N -0.931 118.987 119.914 0.007 0.000 2.515 162 V HA -0.319 nan 4.120 nan 0.000 0.250 162 V C 2.331 178.221 176.094 -0.339 0.000 1.058 162 V CA 3.911 66.007 62.300 -0.339 0.000 1.064 162 V CB -1.107 30.378 31.823 -0.563 0.000 0.675 162 V HN -0.599 7.659 8.190 0.114 0.000 0.461 163 E N -0.853 119.226 120.200 -0.202 0.000 2.072 163 E HA -0.351 nan 4.350 nan 0.000 0.191 163 E C 2.468 179.020 176.600 -0.081 0.000 0.985 163 E CA 3.584 59.901 56.400 -0.140 0.000 0.801 163 E CB -0.422 29.220 29.700 -0.096 0.000 0.750 163 E HN -0.087 8.169 8.360 -0.147 0.017 0.452 164 R N -0.663 119.759 120.500 -0.131 0.000 2.088 164 R HA -0.312 nan 4.340 nan 0.000 0.232 164 R C 2.402 178.784 176.300 0.137 0.000 1.136 164 R CA 3.414 59.433 56.100 -0.134 0.000 0.926 164 R CB -0.240 29.606 30.300 -0.757 0.000 0.837 164 R HN -0.206 7.959 8.270 -0.175 0.000 0.429 165 V N -1.540 118.457 119.914 0.139 0.000 2.490 165 V HA -0.286 nan 4.120 nan 0.000 0.250 165 V C 1.444 177.581 176.094 0.072 0.000 1.061 165 V CA 3.135 65.576 62.300 0.234 0.000 1.064 165 V CB -0.597 31.391 31.823 0.274 0.000 0.670 165 V HN -0.655 7.541 8.190 0.010 0.000 0.461 166 A N -0.718 122.083 122.820 -0.032 0.000 1.933 166 A HA -0.311 nan 4.320 nan 0.000 0.218 166 A C 2.046 179.656 177.584 0.042 0.000 1.175 166 A CA 3.189 55.183 52.037 -0.070 0.000 0.628 166 A CB -0.734 18.216 19.000 -0.084 0.000 0.814 166 A HN -0.265 7.744 8.150 -0.079 0.094 0.444 167 R N -2.276 118.281 120.500 0.095 0.000 2.092 167 R HA -0.241 nan 4.340 nan 0.000 0.231 167 R C 2.190 178.517 176.300 0.045 0.000 1.119 167 R CA 3.286 59.452 56.100 0.110 0.000 0.970 167 R CB 0.180 30.590 30.300 0.184 0.000 0.864 167 R HN -0.149 8.069 8.270 0.082 0.101 0.440 168 V N -2.325 117.629 119.914 0.068 0.000 2.515 168 V HA -0.172 nan 4.120 nan 0.000 0.250 168 V C 1.181 177.246 176.094 -0.050 0.000 1.058 168 V CA 3.324 65.641 62.300 0.028 0.000 1.064 168 V CB -0.910 30.920 31.823 0.012 0.000 0.675 168 V HN -0.358 7.905 8.190 0.121 0.000 0.461 169 A N 1.297 124.038 122.820 -0.133 0.000 1.898 169 A HA -0.219 nan 4.320 nan 0.000 0.216 169 A C 1.865 179.223 177.584 -0.377 0.000 1.181 169 A CA 3.139 55.011 52.037 -0.275 0.000 0.620 169 A CB -0.630 18.127 19.000 -0.405 0.000 0.819 169 A HN -0.271 7.717 8.150 -0.103 0.101 0.442 170 F N -2.472 117.293 119.950 -0.309 0.000 2.259 170 F HA -0.249 nan 4.527 nan 0.000 0.298 170 F C 2.387 177.972 175.800 -0.358 0.000 1.088 170 F CA 3.751 61.462 58.000 -0.483 0.000 1.358 170 F CB -0.241 38.101 39.000 -1.097 0.000 1.040 170 F HN -0.262 7.840 8.300 -0.330 0.000 0.505 171 E N -0.687 119.457 120.200 -0.095 0.000 2.047 171 E HA -0.378 nan 4.350 nan 0.000 0.191 171 E C 2.398 179.029 176.600 0.051 0.000 0.987 171 E CA 2.949 59.376 56.400 0.045 0.000 0.799 171 E CB -0.468 29.288 29.700 0.093 0.000 0.752 171 E HN 0.085 8.374 8.360 -0.120 0.000 0.449 172 A N -1.234 121.608 122.820 0.036 0.000 1.883 172 A HA -0.247 nan 4.320 nan 0.000 0.217 172 A C 2.403 180.007 177.584 0.033 0.000 1.186 172 A CA 2.870 54.952 52.037 0.074 0.000 0.624 172 A CB -0.769 18.283 19.000 0.087 0.000 0.822 172 A HN 0.282 8.322 8.150 0.005 0.113 0.444 173 A N -1.458 121.358 122.820 -0.008 0.000 1.917 173 A HA -0.335 nan 4.320 nan 0.000 0.219 173 A C 2.023 179.636 177.584 0.049 0.000 1.182 173 A CA 2.804 54.844 52.037 0.006 0.000 0.633 173 A CB -0.770 18.214 19.000 -0.027 0.000 0.819 173 A HN -0.106 8.011 8.150 -0.054 0.000 0.448 174 R N -2.774 117.768 120.500 0.069 0.000 2.117 174 R HA -0.316 nan 4.340 nan 0.000 0.243 174 R C 2.412 178.746 176.300 0.057 0.000 1.143 174 R CA 2.986 59.139 56.100 0.088 0.000 0.968 174 R CB -0.210 30.162 30.300 0.119 0.000 0.863 174 R HN -0.258 7.949 8.270 0.064 0.101 0.444 175 K N -3.249 117.172 120.400 0.035 0.000 2.426 175 K HA -0.147 nan 4.320 nan 0.000 0.193 175 K C 0.621 177.227 176.600 0.010 0.000 1.028 175 K CA 1.488 57.780 56.287 0.008 0.000 1.047 175 K CB 0.155 32.631 32.500 -0.040 0.000 0.821 175 K HN -0.316 7.826 8.250 0.035 0.129 0.513 176 R N -2.434 118.081 120.500 0.025 0.000 2.051 176 R HA 0.053 nan 4.340 nan 0.000 0.121 176 R C 1.010 177.334 176.300 0.041 0.000 1.832 176 R CA -0.368 55.750 56.100 0.030 0.000 1.595 176 R CB 1.184 31.504 30.300 0.034 0.000 1.315 176 R HN -0.091 7.992 8.270 0.033 0.206 0.472 177 R N -1.001 119.531 120.500 0.054 0.000 2.586 177 R HA 0.213 nan 4.340 nan 0.000 0.336 177 R C 0.067 176.421 176.300 0.090 0.000 1.060 177 R CA -0.752 55.386 56.100 0.064 0.000 1.079 177 R CB 0.676 31.013 30.300 0.062 0.000 1.317 177 R HN -0.277 8.402 8.270 0.057 -0.375 0.568 178 K N -4.813 115.640 120.400 0.088 0.000 3.104 178 K HA -0.435 nan 4.320 nan 0.000 0.285 178 K C -1.923 174.770 176.600 0.156 0.000 1.136 178 K CA 1.417 57.770 56.287 0.110 0.000 0.842 178 K CB -1.825 30.736 32.500 0.102 0.000 1.217 178 K HN -0.336 7.882 8.250 0.071 0.074 0.467 179 H N -2.482 116.614 119.070 0.043 0.000 2.481 179 H HA 0.577 nan 4.556 nan 0.000 0.333 179 H C -2.290 173.046 175.328 0.012 0.000 1.066 179 H CA -0.848 55.225 56.048 0.042 0.000 1.209 179 H CB 2.007 31.794 29.762 0.041 0.000 1.445 179 H HN -0.859 7.602 8.280 0.171 -0.079 0.488 180 V N 6.595 126.142 119.914 -0.611 0.000 2.769 180 V HA 0.577 nan 4.120 nan 0.000 0.312 180 V C -1.678 173.989 176.094 -0.712 0.000 1.061 180 V CA -1.377 60.575 62.300 -0.580 0.000 0.931 180 V CB 3.287 34.768 31.823 -0.570 0.000 1.010 180 V HN 0.769 8.569 8.190 -0.464 0.112 0.433 181 V N 4.280 123.918 119.914 -0.460 0.000 2.488 181 V HA 0.359 nan 4.120 nan 0.000 0.293 181 V C -1.500 174.470 176.094 -0.207 0.000 1.027 181 V CA -1.288 60.840 62.300 -0.287 0.000 0.862 181 V CB 1.593 33.329 31.823 -0.145 0.000 1.008 181 V HN -0.023 7.936 8.190 -0.385 0.000 0.428 182 S N 6.161 121.763 115.700 -0.164 0.000 2.489 182 S HA 0.614 nan 4.470 nan 0.000 0.277 182 S C -1.399 173.246 174.600 0.075 0.000 1.230 182 S CA -0.727 57.497 58.200 0.041 0.000 1.053 182 S CB 1.282 64.590 63.200 0.180 0.000 0.955 182 S HN 0.544 8.696 8.310 -0.262 0.000 0.488 183 V N 6.539 126.465 119.914 0.021 0.000 2.483 183 V HA 0.634 nan 4.120 nan 0.000 0.295 183 V C -1.166 174.835 176.094 -0.155 0.000 1.035 183 V CA -0.916 61.328 62.300 -0.093 0.000 0.896 183 V CB 1.599 33.308 31.823 -0.190 0.000 0.986 183 V HN 0.300 8.513 8.190 0.038 0.000 0.447 184 D N 6.327 126.683 120.400 -0.072 0.000 2.851 184 D HA 0.203 nan 4.640 nan 0.000 0.339 184 D C -2.405 173.956 176.300 0.101 0.000 1.347 184 D CA 0.085 54.078 54.000 -0.012 0.000 0.888 184 D CB 2.832 43.703 40.800 0.119 0.000 1.431 184 D HN 0.378 8.727 8.370 -0.035 0.000 0.509 185 K N -1.319 119.180 120.400 0.165 0.000 3.271 185 K HA 0.337 nan 4.320 nan 0.000 0.192 185 K C -0.061 176.600 176.600 0.102 0.000 1.108 185 K CA -1.666 54.684 56.287 0.105 0.000 0.902 185 K CB -0.850 31.697 32.500 0.079 0.000 0.889 185 K HN 0.167 8.525 8.250 0.180 0.000 0.520 186 A N 0.285 123.239 122.820 0.223 0.000 2.070 186 A HA -0.267 nan 4.320 nan 0.000 0.220 186 A C 0.177 177.815 177.584 0.089 0.000 1.159 186 A CA 2.763 54.913 52.037 0.190 0.000 0.656 186 A CB -0.481 18.662 19.000 0.238 0.000 0.800 186 A HN 0.121 8.794 8.150 0.367 -0.303 0.453 187 N N -5.598 113.056 118.700 -0.076 0.000 2.515 187 N HA -0.119 nan 4.740 nan 0.000 0.185 187 N C -0.125 175.300 175.510 -0.141 0.000 1.109 187 N CA 1.272 54.206 53.050 -0.193 0.000 0.903 187 N CB -0.184 37.946 38.487 -0.595 0.000 0.969 187 N HN -0.206 8.005 8.380 -0.202 0.048 0.450 188 V N -3.514 116.341 119.914 -0.098 0.000 3.151 188 V HA 0.102 nan 4.120 nan 0.000 0.235 188 V C -0.621 175.472 176.094 -0.002 0.000 1.501 188 V CA 1.312 63.579 62.300 -0.055 0.000 1.211 188 V CB 2.294 34.071 31.823 -0.076 0.000 1.049 188 V HN -0.569 7.510 8.190 -0.078 0.064 0.455 189 L N -1.377 119.862 121.223 0.027 0.000 2.309 189 L HA 0.306 nan 4.340 nan 0.000 0.282 189 L C 0.392 177.316 176.870 0.089 0.000 1.036 189 L CA -0.852 54.024 54.840 0.060 0.000 0.806 189 L CB 1.469 43.577 42.059 0.082 0.000 1.220 189 L HN 0.078 8.321 8.230 0.022 0.000 0.429 190 E N 3.854 124.104 120.200 0.083 0.000 2.058 190 E HA -0.368 nan 4.350 nan 0.000 0.194 190 E C 1.897 178.601 176.600 0.173 0.000 0.997 190 E CA 3.729 60.194 56.400 0.107 0.000 0.801 190 E CB -0.523 29.219 29.700 0.071 0.000 0.746 190 E HN 0.627 9.024 8.360 0.062 0.000 0.450 191 V N -2.075 117.938 119.914 0.166 0.000 2.568 191 V HA -0.279 nan 4.120 nan 0.000 0.253 191 V C 2.288 178.579 176.094 0.328 0.000 1.072 191 V CA 3.577 66.032 62.300 0.257 0.000 1.084 191 V CB -1.531 30.425 31.823 0.222 0.000 0.676 191 V HN 0.138 8.399 8.190 0.118 0.000 0.469 192 G N -0.695 108.248 108.800 0.240 0.000 2.433 192 G HA2 -0.322 nan 3.960 nan 0.000 0.216 192 G HA3 -0.322 nan 3.960 nan 0.000 0.216 192 G C 0.992 176.057 174.900 0.275 0.000 1.186 192 G CA 2.090 47.337 45.100 0.245 0.000 0.779 192 G HN -0.244 8.015 8.290 0.187 0.143 0.543 193 E N 2.548 122.881 120.200 0.221 0.000 2.070 193 E HA -0.392 nan 4.350 nan 0.000 0.197 193 E C 2.199 178.924 176.600 0.209 0.000 1.004 193 E CA 2.999 59.508 56.400 0.181 0.000 0.805 193 E CB -0.303 29.487 29.700 0.151 0.000 0.744 193 E HN -0.456 7.958 8.360 0.192 0.061 0.451 194 F N 1.102 121.126 119.950 0.124 0.000 2.161 194 F HA -0.359 nan 4.527 nan 0.000 0.300 194 F C 1.242 177.112 175.800 0.117 0.000 1.089 194 F CA 3.521 61.587 58.000 0.110 0.000 1.282 194 F CB 0.364 39.440 39.000 0.127 0.000 1.010 194 F HN 0.169 8.609 8.300 0.410 0.106 0.485 195 W N -0.842 120.500 121.300 0.070 0.000 2.380 195 W HA -0.477 nan 4.660 nan 0.000 0.317 195 W C 1.493 177.968 176.519 -0.074 0.000 1.196 195 W CA 3.857 61.168 57.345 -0.057 0.000 1.307 195 W CB 0.228 29.683 29.460 -0.009 0.000 1.157 195 W HN 0.216 8.503 8.180 0.520 0.206 0.483 196 R N -0.749 119.889 120.500 0.230 0.000 2.096 196 R HA -0.570 nan 4.340 nan 0.000 0.240 196 R C 1.892 178.153 176.300 -0.065 0.000 1.139 196 R CA 4.096 60.250 56.100 0.091 0.000 0.952 196 R CB -0.251 30.046 30.300 -0.005 0.000 0.854 196 R HN 0.107 8.587 8.270 0.350 0.000 0.436 197 K N -2.079 118.257 120.400 -0.107 0.000 2.009 197 K HA -0.315 nan 4.320 nan 0.000 0.210 197 K C 2.251 178.715 176.600 -0.227 0.000 1.049 197 K CA 3.680 59.875 56.287 -0.153 0.000 0.929 197 K CB -0.152 32.259 32.500 -0.148 0.000 0.714 197 K HN -0.057 8.156 8.250 -0.056 0.004 0.440 198 T N 2.486 116.799 114.554 -0.402 0.000 2.821 198 T HA -0.208 nan 4.350 nan 0.000 0.267 198 T C 2.259 176.771 174.700 -0.312 0.000 1.046 198 T CA 4.499 66.343 62.100 -0.427 0.000 1.139 198 T CB -0.338 68.145 68.868 -0.641 0.000 0.871 198 T HN -0.443 7.496 8.240 -0.502 0.000 0.454 199 V N 1.987 121.697 119.914 -0.340 0.000 2.287 199 V HA -0.494 nan 4.120 nan 0.000 0.248 199 V C 1.654 177.757 176.094 0.014 0.000 1.053 199 V CA 4.555 66.753 62.300 -0.170 0.000 1.027 199 V CB -0.905 30.833 31.823 -0.142 0.000 0.646 199 V HN 0.372 8.304 8.190 -0.431 0.000 0.447 200 E N -0.710 119.517 120.200 0.045 0.000 2.065 200 E HA -0.492 nan 4.350 nan 0.000 0.201 200 E C 1.795 178.382 176.600 -0.022 0.000 1.016 200 E CA 3.465 59.904 56.400 0.064 0.000 0.818 200 E CB -0.309 29.415 29.700 0.041 0.000 0.749 200 E HN -0.385 7.990 8.360 0.025 0.000 0.453 201 E N -1.339 118.822 120.200 -0.064 0.000 2.038 201 E HA -0.320 nan 4.350 nan 0.000 0.195 201 E C 2.796 179.347 176.600 -0.082 0.000 1.000 201 E CA 3.040 59.393 56.400 -0.077 0.000 0.803 201 E CB -0.121 29.521 29.700 -0.097 0.000 0.750 201 E HN -0.657 7.652 8.360 -0.085 0.000 0.448 202 V N -0.052 119.816 119.914 -0.076 0.000 2.490 202 V HA -0.316 nan 4.120 nan 0.000 0.250 202 V C 2.487 178.484 176.094 -0.163 0.000 1.061 202 V CA 3.460 65.732 62.300 -0.047 0.000 1.064 202 V CB -1.042 30.798 31.823 0.028 0.000 0.670 202 V HN -0.161 7.977 8.190 -0.085 0.000 0.461 203 G N -2.193 106.447 108.800 -0.268 0.000 2.448 203 G HA2 -0.292 nan 3.960 nan 0.000 0.219 203 G HA3 -0.292 nan 3.960 nan 0.000 0.219 203 G C 1.143 175.870 174.900 -0.289 0.000 1.127 203 G CA 1.758 46.532 45.100 -0.544 0.000 0.766 203 G HN 0.569 8.558 8.290 -0.120 0.229 0.552 204 R N 1.047 121.451 120.500 -0.161 0.000 2.105 204 R HA -0.313 nan 4.340 nan 0.000 0.239 204 R C 2.004 178.208 176.300 -0.159 0.000 1.135 204 R CA 2.370 58.396 56.100 -0.123 0.000 0.967 204 R CB -0.328 29.915 30.300 -0.094 0.000 0.861 204 R HN -0.343 7.701 8.270 -0.135 0.145 0.442 205 G N -3.881 104.795 108.800 -0.206 0.000 2.598 205 G HA2 -0.135 nan 3.960 nan 0.000 0.215 205 G HA3 -0.135 nan 3.960 nan 0.000 0.215 205 G C -0.837 173.700 174.900 -0.604 0.000 1.131 205 G CA 0.654 45.519 45.100 -0.392 0.000 0.785 205 G HN -0.399 7.775 8.290 -0.162 0.018 0.539 206 Y N -2.257 117.871 120.300 -0.286 0.000 2.473 206 Y HA 0.420 nan 4.550 nan 0.000 0.345 206 Y C -1.747 174.039 175.900 -0.189 0.000 0.932 206 Y CA -3.963 53.996 58.100 -0.234 0.000 1.124 206 Y CB -0.528 37.737 38.460 -0.324 0.000 1.162 206 Y HN -0.400 7.609 8.280 -0.142 0.186 0.629 207 P HA -0.143 nan 4.420 nan 0.000 0.223 207 P C -0.986 176.325 177.300 0.019 0.000 1.144 207 P CA 2.006 65.093 63.100 -0.022 0.000 0.783 207 P CB -0.349 31.328 31.700 -0.038 0.000 0.771 208 D N -4.122 116.303 120.400 0.041 0.000 2.340 208 D HA -0.076 nan 4.640 nan 0.000 0.220 208 D C -0.323 176.034 176.300 0.094 0.000 1.039 208 D CA 0.006 54.042 54.000 0.059 0.000 0.866 208 D CB -0.201 40.633 40.800 0.056 0.000 0.913 208 D HN 0.216 8.541 8.370 0.040 0.069 0.523 209 V N 1.534 121.521 119.914 0.122 0.000 2.370 209 V HA 0.125 nan 4.120 nan 0.000 0.283 209 V C -0.935 175.265 176.094 0.176 0.000 1.023 209 V CA -1.121 61.282 62.300 0.173 0.000 0.857 209 V CB 0.543 32.530 31.823 0.273 0.000 0.985 209 V HN -0.338 7.741 8.190 0.104 0.174 0.443 210 A N 8.547 131.481 122.820 0.191 0.000 2.473 210 A HA 0.152 nan 4.320 nan 0.000 0.282 210 A C -1.946 175.773 177.584 0.225 0.000 1.163 210 A CA 0.257 52.434 52.037 0.232 0.000 0.827 210 A CB -0.020 19.161 19.000 0.302 0.000 1.098 210 A HN 0.634 8.897 8.150 0.187 0.000 0.515 211 L N 3.264 124.579 121.223 0.153 0.000 2.343 211 L HA 0.551 nan 4.340 nan 0.000 0.275 211 L C -1.043 175.821 176.870 -0.010 0.000 1.056 211 L CA -0.359 54.510 54.840 0.048 0.000 0.804 211 L CB 2.243 44.370 42.059 0.113 0.000 1.203 211 L HN -0.015 8.301 8.230 0.142 0.000 0.440 212 E N 2.946 123.041 120.200 -0.175 0.000 2.412 212 E HA 0.229 nan 4.350 nan 0.000 0.279 212 E C -2.355 174.031 176.600 -0.356 0.000 0.984 212 E CA -1.412 54.924 56.400 -0.106 0.000 0.788 212 E CB 3.573 33.375 29.700 0.170 0.000 1.277 212 E HN 0.051 8.237 8.360 -0.289 0.000 0.455 213 H N 0.539 119.620 119.070 0.018 0.000 2.572 213 H HA 0.706 nan 4.556 nan 0.000 0.359 213 H C -0.806 174.450 175.328 -0.120 0.000 1.134 213 H CA -0.786 55.240 56.048 -0.038 0.000 1.187 213 H CB 2.184 31.921 29.762 -0.042 0.000 1.597 213 H HN 0.295 8.619 8.280 0.073 0.000 0.524 214 Q N 0.785 120.549 119.800 -0.062 0.000 2.309 214 Q HA 0.224 nan 4.340 nan 0.000 0.273 214 Q C -1.525 174.348 176.000 -0.213 0.000 1.040 214 Q CA -1.300 54.394 55.803 -0.182 0.000 0.834 214 Q CB 4.279 32.962 28.738 -0.093 0.000 1.345 214 Q HN 0.622 8.887 8.270 -0.009 0.000 0.414 215 Y N 0.463 120.723 120.300 -0.066 0.000 2.326 215 Y HA 0.019 nan 4.550 nan 0.000 0.333 215 Y C 0.770 176.518 175.900 -0.254 0.000 1.240 215 Y CA -0.395 57.623 58.100 -0.137 0.000 1.365 215 Y CB -0.121 38.273 38.460 -0.110 0.000 1.289 215 Y HN 0.209 8.232 8.280 -0.428 0.000 0.548 216 V N 2.763 122.535 119.914 -0.236 0.000 2.324 216 V HA -0.474 nan 4.120 nan 0.000 0.250 216 V C 0.647 176.545 176.094 -0.327 0.000 1.060 216 V CA 3.673 65.691 62.300 -0.471 0.000 1.042 216 V CB -0.261 30.884 31.823 -1.130 0.000 0.650 216 V HN 0.128 8.182 8.190 -0.227 0.000 0.450 217 D N -2.756 117.504 120.400 -0.233 0.000 2.178 217 D HA -0.274 nan 4.640 nan 0.000 0.202 217 D C 1.466 177.675 176.300 -0.152 0.000 0.974 217 D CA 3.265 57.167 54.000 -0.162 0.000 0.841 217 D CB -1.108 39.625 40.800 -0.113 0.000 0.953 217 D HN 0.266 8.509 8.370 -0.213 0.000 0.478 218 A N -1.248 121.487 122.820 -0.140 0.000 2.072 218 A HA -0.070 nan 4.320 nan 0.000 0.216 218 A C 1.844 179.088 177.584 -0.567 0.000 1.156 218 A CA 2.222 54.107 52.037 -0.254 0.000 0.701 218 A CB -0.451 18.483 19.000 -0.111 0.000 0.816 218 A HN -0.533 7.457 8.150 -0.070 0.118 0.458 219 M N -0.475 118.894 119.600 -0.385 0.000 2.287 219 M HA -0.216 nan 4.480 nan 0.000 0.266 219 M C 1.292 177.424 176.300 -0.279 0.000 1.079 219 M CA 1.343 56.418 55.300 -0.374 0.000 1.146 219 M CB -0.183 32.232 32.600 -0.307 0.000 1.374 219 M HN -0.105 7.881 8.290 -0.277 0.139 0.435 220 A N -0.719 121.964 122.820 -0.227 0.000 1.940 220 A HA -0.324 nan 4.320 nan 0.000 0.219 220 A C 2.111 179.640 177.584 -0.093 0.000 1.176 220 A CA 3.101 55.053 52.037 -0.142 0.000 0.631 220 A CB -0.883 18.044 19.000 -0.122 0.000 0.814 220 A HN 0.172 8.177 8.150 -0.241 0.000 0.446 221 M N -3.242 116.281 119.600 -0.127 0.000 2.132 221 M HA -0.396 nan 4.480 nan 0.000 0.263 221 M C 2.160 178.536 176.300 0.125 0.000 1.065 221 M CA 3.844 59.127 55.300 -0.028 0.000 1.122 221 M CB 0.017 32.591 32.600 -0.043 0.000 1.365 221 M HN -0.668 7.486 8.290 -0.207 0.011 0.411 222 H N -0.831 118.290 119.070 0.085 0.000 2.389 222 H HA -0.155 nan 4.556 nan 0.000 0.299 222 H C 2.869 178.356 175.328 0.266 0.000 1.081 222 H CA 1.811 57.984 56.048 0.209 0.000 1.345 222 H CB -0.682 29.316 29.762 0.394 0.000 1.393 222 H HN -0.685 7.366 8.280 -0.242 0.083 0.520 223 L N -1.889 119.483 121.223 0.249 0.000 2.131 223 L HA -0.283 nan 4.340 nan 0.000 0.210 223 L C 1.420 178.377 176.870 0.144 0.000 1.092 223 L CA 3.044 57.994 54.840 0.183 0.000 0.759 223 L CB -0.339 41.738 42.059 0.030 0.000 0.903 223 L HN -0.344 7.951 8.230 0.110 0.000 0.435 224 V N -2.434 117.546 119.914 0.110 0.000 2.300 224 V HA -0.140 nan 4.120 nan 0.000 0.241 224 V C 1.592 177.738 176.094 0.086 0.000 1.034 224 V CA 2.233 64.580 62.300 0.078 0.000 1.021 224 V CB -0.135 31.719 31.823 0.053 0.000 0.662 224 V HN -0.744 7.497 8.190 0.104 0.011 0.458 225 R N -1.865 118.699 120.500 0.108 0.000 2.091 225 R HA -0.207 nan 4.340 nan 0.000 0.238 225 R C 0.684 177.019 176.300 0.057 0.000 1.136 225 R CA 2.363 58.514 56.100 0.085 0.000 0.959 225 R CB 0.790 31.155 30.300 0.108 0.000 0.856 225 R HN -0.064 8.284 8.270 0.131 0.000 0.437 226 S N -5.572 110.178 115.700 0.082 0.000 2.680 226 S HA 0.412 nan 4.470 nan 0.000 0.153 226 S C -1.407 173.198 174.600 0.008 0.000 1.224 226 S CA -2.259 55.939 58.200 -0.004 0.000 1.197 226 S CB 0.296 63.433 63.200 -0.104 0.000 1.634 226 S HN -0.153 8.139 8.310 0.164 0.116 0.422 227 P HA -0.151 nan 4.420 nan 0.000 0.220 227 P C 0.581 177.930 177.300 0.082 0.000 1.148 227 P CA 2.065 65.304 63.100 0.231 0.000 0.803 227 P CB -0.147 31.650 31.700 0.162 0.000 0.782 228 A N -1.678 121.120 122.820 -0.038 0.000 2.076 228 A HA -0.236 nan 4.320 nan 0.000 0.220 228 A C 1.201 178.681 177.584 -0.173 0.000 1.160 228 A CA 2.372 54.364 52.037 -0.075 0.000 0.653 228 A CB -0.611 18.348 19.000 -0.068 0.000 0.801 228 A HN 0.294 8.394 8.150 -0.031 0.031 0.455 229 R N -3.914 116.349 120.500 -0.396 0.000 2.313 229 R HA -0.081 nan 4.340 nan 0.000 0.199 229 R C 0.102 176.051 176.300 -0.584 0.000 0.958 229 R CA 0.654 56.431 56.100 -0.539 0.000 1.047 229 R CB -0.390 29.489 30.300 -0.701 0.000 0.955 229 R HN -0.720 7.233 8.270 -0.456 0.044 0.481 230 F N -0.981 118.985 119.950 0.027 0.000 2.507 230 F HA 0.185 nan 4.527 nan 0.000 0.327 230 F C -0.957 174.884 175.800 0.068 0.000 1.068 230 F CA -0.953 57.095 58.000 0.080 0.000 0.965 230 F CB 1.823 40.859 39.000 0.060 0.000 1.192 230 F HN -0.532 7.602 8.300 -0.143 0.080 0.476 231 D N 0.446 121.036 120.400 0.317 0.000 3.168 231 D HA 0.187 nan 4.640 nan 0.000 0.219 231 D C -0.869 175.483 176.300 0.087 0.000 1.310 231 D CA -0.281 53.816 54.000 0.162 0.000 1.348 231 D CB 1.705 42.601 40.800 0.159 0.000 0.925 231 D HN -0.149 8.481 8.370 0.434 0.000 0.185 232 V N -0.131 119.788 119.914 0.008 0.000 2.686 232 V HA 0.428 nan 4.120 nan 0.000 0.295 232 V C -0.635 175.383 176.094 -0.127 0.000 1.057 232 V CA 0.391 62.647 62.300 -0.074 0.000 1.012 232 V CB 0.928 32.669 31.823 -0.138 0.000 1.006 232 V HN -0.434 7.755 8.190 -0.003 0.000 0.477 233 V N 6.132 125.967 119.914 -0.131 0.000 2.638 233 V HA 0.602 nan 4.120 nan 0.000 0.306 233 V C -2.255 173.759 176.094 -0.134 0.000 1.052 233 V CA -0.969 61.233 62.300 -0.162 0.000 0.885 233 V CB 3.227 34.944 31.823 -0.176 0.000 0.999 233 V HN 0.284 8.410 8.190 -0.105 0.000 0.424 234 V N 8.141 127.985 119.914 -0.116 0.000 2.577 234 V HA 0.863 nan 4.120 nan 0.000 0.303 234 V C -2.843 173.292 176.094 0.068 0.000 1.042 234 V CA -1.745 60.538 62.300 -0.027 0.000 0.872 234 V CB 3.540 35.319 31.823 -0.073 0.000 0.998 234 V HN 0.313 8.425 8.190 -0.130 0.000 0.423 235 T N 8.733 123.309 114.554 0.038 0.000 2.762 235 T HA 0.657 nan 4.350 nan 0.000 0.301 235 T C -1.216 173.262 174.700 -0.370 0.000 1.299 235 T CA -1.399 60.580 62.100 -0.202 0.000 1.005 235 T CB 3.701 72.461 68.868 -0.180 0.000 1.377 235 T HN 0.008 8.274 8.240 0.043 0.000 0.504 236 G N -0.239 108.059 108.800 -0.837 0.000 2.683 236 G HA2 0.066 nan 3.960 nan 0.000 0.260 236 G HA3 0.066 nan 3.960 nan 0.000 0.260 236 G C -0.469 174.325 174.900 -0.178 0.000 1.238 236 G CA -0.087 44.655 45.100 -0.596 0.000 0.934 236 G HN 0.238 7.949 8.290 -0.965 0.000 0.534 237 N N 1.641 120.319 118.700 -0.037 0.000 1.997 237 N HA -0.338 nan 4.740 nan 0.000 0.198 237 N C 2.164 177.521 175.510 -0.255 0.000 1.070 237 N CA 3.026 56.031 53.050 -0.075 0.000 0.864 237 N CB -0.171 38.281 38.487 -0.059 0.000 1.066 237 N HN -0.424 8.045 8.380 0.148 0.000 0.425 238 I N -0.823 119.360 120.570 -0.645 0.000 2.248 238 I HA -0.394 nan 4.170 nan 0.000 0.248 238 I C 1.443 177.440 176.117 -0.199 0.000 1.107 238 I CA 3.243 64.155 61.300 -0.646 0.000 1.373 238 I CB -0.008 37.478 38.000 -0.857 0.000 1.055 238 I HN 0.248 8.008 8.210 -0.750 0.000 0.418 239 F N -2.401 117.428 119.950 -0.201 0.000 2.325 239 F HA -0.150 nan 4.527 nan 0.000 0.299 239 F C 1.871 177.592 175.800 -0.131 0.000 1.090 239 F CA 1.472 59.375 58.000 -0.163 0.000 1.392 239 F CB -1.526 37.345 39.000 -0.215 0.000 1.053 239 F HN -0.255 7.763 8.300 -0.450 0.012 0.521 240 G N -0.050 108.779 108.800 0.049 0.000 2.408 240 G HA2 -0.413 nan 3.960 nan 0.000 0.217 240 G HA3 -0.413 nan 3.960 nan 0.000 0.217 240 G C 0.905 175.829 174.900 0.040 0.000 1.150 240 G CA 1.988 47.100 45.100 0.021 0.000 0.776 240 G HN 0.218 8.373 8.290 -0.014 0.127 0.542 241 D N 2.712 123.153 120.400 0.069 0.000 2.077 241 D HA -0.229 nan 4.640 nan 0.000 0.193 241 D C 2.203 178.543 176.300 0.067 0.000 0.989 241 D CA 3.522 57.578 54.000 0.093 0.000 0.831 241 D CB -0.046 40.857 40.800 0.173 0.000 0.979 241 D HN -0.423 7.876 8.370 0.053 0.102 0.449 242 I N -0.639 119.979 120.570 0.081 0.000 2.194 242 I HA -0.554 nan 4.170 nan 0.000 0.246 242 I C 2.238 178.366 176.117 0.018 0.000 1.093 242 I CA 4.009 65.345 61.300 0.059 0.000 1.355 242 I CB 0.016 38.068 38.000 0.088 0.000 1.046 242 I HN -0.527 7.745 8.210 0.104 0.000 0.413 243 L N -2.312 118.913 121.223 0.003 0.000 2.156 243 L HA -0.389 nan 4.340 nan 0.000 0.208 243 L C 2.226 179.079 176.870 -0.028 0.000 1.095 243 L CA 2.867 57.684 54.840 -0.038 0.000 0.770 243 L CB -0.637 41.377 42.059 -0.076 0.000 0.914 243 L HN 0.076 8.322 8.230 0.026 0.000 0.439 244 S N 1.290 116.984 115.700 -0.011 0.000 2.356 244 S HA -0.424 nan 4.470 nan 0.000 0.223 244 S C 2.118 176.715 174.600 -0.005 0.000 1.032 244 S CA 4.087 62.281 58.200 -0.011 0.000 1.005 244 S CB -0.202 62.997 63.200 -0.001 0.000 0.867 244 S HN 0.219 8.425 8.310 0.001 0.105 0.449 245 D N 1.499 121.902 120.400 0.005 0.000 2.144 245 D HA -0.213 nan 4.640 nan 0.000 0.200 245 D C 2.045 178.346 176.300 0.003 0.000 0.978 245 D CA 3.083 57.088 54.000 0.007 0.000 0.833 245 D CB -0.299 40.510 40.800 0.015 0.000 0.961 245 D HN -0.419 7.958 8.370 0.012 0.000 0.470 246 L N -1.172 120.050 121.223 -0.002 0.000 2.131 246 L HA -0.263 nan 4.340 nan 0.000 0.210 246 L C 0.699 177.567 176.870 -0.004 0.000 1.092 246 L CA 2.813 57.650 54.840 -0.005 0.000 0.759 246 L CB 0.009 42.059 42.059 -0.015 0.000 0.903 246 L HN -0.484 7.745 8.230 -0.003 0.000 0.435 247 A N -3.674 119.140 122.820 -0.010 0.000 1.968 247 A HA -0.142 nan 4.320 nan 0.000 0.217 247 A C 2.277 179.858 177.584 -0.004 0.000 1.169 247 A CA 2.473 54.505 52.037 -0.008 0.000 0.638 247 A CB -0.193 18.796 19.000 -0.019 0.000 0.812 247 A HN -0.010 8.027 8.150 -0.015 0.104 0.446 248 S N -1.128 114.570 115.700 -0.003 0.000 2.402 248 S HA -0.226 nan 4.470 nan 0.000 0.229 248 S C 1.905 176.509 174.600 0.005 0.000 1.021 248 S CA 2.863 61.063 58.200 -0.000 0.000 0.974 248 S CB 0.304 63.505 63.200 0.002 0.000 0.800 248 S HN -0.200 8.000 8.310 -0.004 0.109 0.484 249 V N -3.700 116.219 119.914 0.008 0.000 3.380 249 V HA 0.043 nan 4.120 nan 0.000 0.268 249 V C 0.594 176.696 176.094 0.012 0.000 1.168 249 V CA 1.273 63.580 62.300 0.011 0.000 1.156 249 V CB -1.057 30.773 31.823 0.012 0.000 0.785 249 V HN -0.620 7.573 8.190 0.006 0.000 0.487 250 L N -0.304 120.924 121.223 0.010 0.000 2.005 250 L HA 0.121 nan 4.340 nan 0.000 0.207 250 L C -0.019 176.855 176.870 0.007 0.000 1.072 250 L CA 3.284 58.131 54.840 0.011 0.000 0.744 250 L CB -2.983 39.084 42.059 0.013 0.000 0.895 250 L HN -0.738 7.325 8.230 0.007 0.171 0.433 251 P HA -0.165 nan 4.420 nan 0.000 0.215 251 P C -0.066 177.248 177.300 0.024 0.000 1.153 251 P CA 1.986 65.087 63.100 0.001 0.000 0.853 251 P CB 0.080 31.774 31.700 -0.011 0.000 0.788 252 G N -4.569 104.245 108.800 0.024 0.000 2.141 252 G HA2 -0.215 nan 3.960 nan 0.000 0.164 252 G HA3 -0.215 nan 3.960 nan 0.000 0.164 252 G C -1.060 173.860 174.900 0.032 0.000 1.009 252 G CA -0.092 45.025 45.100 0.028 0.000 0.677 252 G HN -0.194 8.108 8.290 0.019 0.000 0.508 253 S N -1.481 114.240 115.700 0.035 0.000 2.581 253 S HA 0.027 nan 4.470 nan 0.000 0.306 253 S C -0.077 174.551 174.600 0.046 0.000 1.080 253 S CA -1.001 57.222 58.200 0.038 0.000 0.925 253 S CB 0.435 63.660 63.200 0.041 0.000 1.128 253 S HN -0.420 7.909 8.310 0.032 0.000 0.451 254 L N 6.772 128.023 121.223 0.047 0.000 2.187 254 L HA -0.215 nan 4.340 nan 0.000 0.213 254 L C 1.083 178.011 176.870 0.098 0.000 1.100 254 L CA 2.194 57.073 54.840 0.065 0.000 0.765 254 L CB -0.125 41.978 42.059 0.073 0.000 0.904 254 L HN 0.640 8.894 8.230 0.040 0.000 0.437 255 G N -3.361 105.496 108.800 0.096 0.000 2.679 255 G HA2 -0.187 nan 3.960 nan 0.000 0.212 255 G HA3 -0.187 nan 3.960 nan 0.000 0.212 255 G C -0.658 174.305 174.900 0.105 0.000 1.137 255 G CA 1.218 46.397 45.100 0.132 0.000 0.787 255 G HN -0.492 7.797 8.290 0.065 0.040 0.534 256 L N -5.630 115.647 121.223 0.090 0.000 3.218 256 L HA 0.500 nan 4.340 nan 0.000 0.279 256 L C -1.302 175.626 176.870 0.098 0.000 1.287 256 L CA -1.234 53.677 54.840 0.119 0.000 1.024 256 L CB -0.425 41.743 42.059 0.183 0.000 1.409 256 L HN -0.791 7.427 8.230 0.081 0.060 0.580 257 L N 1.530 122.784 121.223 0.051 0.000 2.318 257 L HA 0.608 nan 4.340 nan 0.000 0.277 257 L C -2.172 174.692 176.870 -0.011 0.000 1.008 257 L CA -2.859 51.992 54.840 0.018 0.000 0.846 257 L CB 1.872 43.935 42.059 0.006 0.000 1.220 257 L HN -0.855 7.338 8.230 0.049 0.067 0.423 258 P HA 0.546 nan 4.420 nan 0.000 0.282 258 P C -1.746 175.547 177.300 -0.011 0.000 1.287 258 P CA -1.478 61.627 63.100 0.008 0.000 0.792 258 P CB 1.306 33.046 31.700 0.067 0.000 1.163 259 S N -2.999 112.692 115.700 -0.015 0.000 2.588 259 S HA 0.503 nan 4.470 nan 0.000 0.269 259 S C -2.348 172.176 174.600 -0.127 0.000 1.157 259 S CA -0.941 57.218 58.200 -0.069 0.000 0.824 259 S CB 2.010 65.159 63.200 -0.086 0.000 1.126 259 S HN -0.393 7.926 8.310 0.014 0.000 0.464 260 A N 0.854 123.522 122.820 -0.254 0.000 2.606 260 A HA 0.770 nan 4.320 nan 0.000 0.293 260 A C -2.479 174.815 177.584 -0.483 0.000 1.082 260 A CA -0.245 51.472 52.037 -0.533 0.000 0.685 260 A CB 3.617 22.183 19.000 -0.724 0.000 1.284 260 A HN 0.252 8.273 8.150 -0.214 0.000 0.408 261 S N -0.821 114.526 115.700 -0.589 0.000 2.776 261 S HA 0.682 nan 4.470 nan 0.000 0.284 261 S C -1.665 172.641 174.600 -0.491 0.000 1.160 261 S CA -0.037 57.900 58.200 -0.440 0.000 1.051 261 S CB 1.357 64.365 63.200 -0.319 0.000 1.037 261 S HN 0.467 8.297 8.310 -0.801 0.000 0.485 262 L N 3.802 124.731 121.223 -0.491 0.000 2.352 262 L HA 0.719 nan 4.340 nan 0.000 0.269 262 L C -0.909 175.553 176.870 -0.681 0.000 1.034 262 L CA -1.144 53.406 54.840 -0.483 0.000 0.806 262 L CB 1.705 43.522 42.059 -0.403 0.000 1.244 262 L HN 0.175 8.125 8.230 -0.466 0.000 0.447 263 G N -1.671 106.782 108.800 -0.579 0.000 2.364 263 G HA2 0.159 nan 3.960 nan 0.000 0.286 263 G HA3 0.159 nan 3.960 nan 0.000 0.286 263 G C -0.604 174.217 174.900 -0.133 0.000 1.241 263 G CA 0.805 45.491 45.100 -0.690 0.000 0.887 263 G HN -0.366 7.704 8.290 -0.366 0.000 0.484 264 R N 0.147 120.710 120.500 0.104 0.000 2.075 264 R HA -0.105 nan 4.340 nan 0.000 0.232 264 R C 1.235 177.551 176.300 0.027 0.000 1.126 264 R CA 1.569 57.736 56.100 0.111 0.000 0.963 264 R CB 0.674 31.056 30.300 0.138 0.000 0.858 264 R HN -0.189 8.199 8.270 0.197 0.000 0.435 265 G N -2.381 106.416 108.800 -0.005 0.000 2.582 265 G HA2 0.290 nan 3.960 nan 0.000 0.232 265 G HA3 0.290 nan 3.960 nan 0.000 0.232 265 G C -1.365 173.505 174.900 -0.051 0.000 1.458 265 G CA -0.965 44.123 45.100 -0.021 0.000 1.062 265 G HN -0.241 8.043 8.290 -0.009 0.000 0.566 266 T N 2.391 116.915 114.554 -0.050 0.000 2.853 266 T HA 0.086 nan 4.350 nan 0.000 0.298 266 T C -1.086 173.557 174.700 -0.094 0.000 0.978 266 T CA -0.511 61.555 62.100 -0.056 0.000 1.152 266 T CB -0.606 68.238 68.868 -0.040 0.000 0.914 266 T HN -0.474 8.047 8.240 -0.038 -0.304 0.539 267 P HA 0.251 nan 4.420 nan 0.000 0.272 267 P C -2.042 175.163 177.300 -0.159 0.000 1.223 267 P CA -0.432 62.563 63.100 -0.174 0.000 0.784 267 P CB 0.818 32.471 31.700 -0.077 0.000 0.923 268 V N 0.390 120.078 119.914 -0.377 0.000 2.487 268 V HA 0.684 nan 4.120 nan 0.000 0.298 268 V C -1.281 174.507 176.094 -0.510 0.000 1.028 268 V CA -0.620 61.514 62.300 -0.277 0.000 0.860 268 V CB 2.171 33.843 31.823 -0.253 0.000 0.991 268 V HN 0.076 7.961 8.190 -0.508 0.000 0.427 269 F N 6.124 126.014 119.950 -0.099 0.000 2.507 269 F HA 0.758 nan 4.527 nan 0.000 0.325 269 F C -1.984 173.773 175.800 -0.070 0.000 1.116 269 F CA -1.810 56.144 58.000 -0.076 0.000 0.930 269 F CB 3.214 42.191 39.000 -0.038 0.000 1.146 269 F HN 0.974 9.413 8.300 0.231 0.000 0.447 270 E N -0.744 119.485 120.200 0.049 0.000 2.388 270 E HA 0.465 nan 4.350 nan 0.000 0.281 270 E C -2.953 173.610 176.600 -0.063 0.000 1.046 270 E CA -2.545 53.851 56.400 -0.006 0.000 0.825 270 E CB 1.965 31.643 29.700 -0.038 0.000 1.243 270 E HN 0.401 8.773 8.360 0.020 0.000 0.438 271 P HA -0.001 nan 4.420 nan 0.000 0.272 271 P C -0.876 176.264 177.300 -0.266 0.000 1.240 271 P CA -0.281 62.644 63.100 -0.292 0.000 0.791 271 P CB 0.855 32.149 31.700 -0.677 0.000 0.978 272 V N -1.931 117.848 119.914 -0.226 0.000 3.174 272 V HA -0.050 nan 4.120 nan 0.000 0.254 272 V C 0.936 177.006 176.094 -0.039 0.000 1.120 272 V CA 1.151 63.390 62.300 -0.102 0.000 1.114 272 V CB -0.271 31.524 31.823 -0.046 0.000 0.756 272 V HN 0.407 8.467 8.190 -0.217 0.000 0.467 273 H N 1.092 120.172 119.070 0.017 0.000 2.913 273 H HA -0.102 nan 4.556 nan 0.000 0.365 273 H C 0.427 175.768 175.328 0.020 0.000 1.155 273 H CA -1.170 54.887 56.048 0.016 0.000 1.417 273 H CB -0.467 29.303 29.762 0.013 0.000 1.386 273 H HN -0.195 7.905 8.280 -0.300 0.000 0.614 274 G N -0.847 108.094 108.800 0.235 0.000 2.553 274 G HA2 -0.023 nan 3.960 nan 0.000 0.278 274 G HA3 -0.023 nan 3.960 nan 0.000 0.278 274 G C -0.628 174.357 174.900 0.141 0.000 1.349 274 G CA -0.959 44.232 45.100 0.152 0.000 1.037 274 G HN 0.050 8.444 8.290 0.174 0.000 0.508 275 S N 0.537 116.294 115.700 0.095 0.000 2.406 275 S HA -0.259 nan 4.470 nan 0.000 0.228 275 S C -0.112 174.498 174.600 0.017 0.000 1.020 275 S CA 1.377 59.625 58.200 0.079 0.000 0.965 275 S CB -0.394 62.872 63.200 0.109 0.000 0.798 275 S HN 0.435 8.800 8.310 0.091 0.000 0.488 276 A N -1.056 121.765 122.820 0.001 0.000 2.466 276 A HA -0.207 nan 4.320 nan 0.000 0.295 276 A C -1.238 176.345 177.584 -0.002 0.000 1.465 276 A CA -0.133 51.889 52.037 -0.024 0.000 0.744 276 A CB -1.927 17.019 19.000 -0.089 0.000 1.098 276 A HN 0.170 8.309 8.150 0.021 0.024 0.402 277 P HA -0.196 nan 4.420 nan 0.000 0.216 277 P C 0.324 177.634 177.300 0.016 0.000 1.150 277 P CA 1.941 65.064 63.100 0.039 0.000 0.837 277 P CB -0.720 31.010 31.700 0.050 0.000 0.786 278 D N -3.220 117.183 120.400 0.004 0.000 2.371 278 D HA -0.140 nan 4.640 nan 0.000 0.234 278 D C 0.256 176.553 176.300 -0.005 0.000 1.049 278 D CA 1.435 55.433 54.000 -0.003 0.000 0.907 278 D CB -1.251 39.544 40.800 -0.007 0.000 0.891 278 D HN 0.472 8.844 8.370 0.003 0.000 0.531 279 I N -2.972 117.594 120.570 -0.007 0.000 4.442 279 I HA 0.124 nan 4.170 nan 0.000 0.331 279 I C -1.565 174.549 176.117 -0.007 0.000 1.364 279 I CA -0.854 60.438 61.300 -0.012 0.000 1.207 279 I CB 1.696 39.680 38.000 -0.027 0.000 1.298 279 I HN -0.687 7.421 8.210 -0.005 0.099 0.463 280 A N 0.480 123.302 122.820 0.004 0.000 2.492 280 A HA -0.134 nan 4.320 nan 0.000 0.254 280 A C 0.037 177.634 177.584 0.022 0.000 1.091 280 A CA 1.565 53.612 52.037 0.017 0.000 0.768 280 A CB -0.627 18.396 19.000 0.037 0.000 1.028 280 A HN -0.442 7.586 8.150 0.007 0.126 0.498 281 G N 2.986 111.800 108.800 0.023 0.000 2.284 281 G HA2 -0.263 nan 3.960 nan 0.000 0.230 281 G HA3 -0.263 nan 3.960 nan 0.000 0.230 281 G C 0.916 175.827 174.900 0.019 0.000 1.021 281 G CA 1.048 46.163 45.100 0.025 0.000 0.619 281 G HN -0.456 8.205 8.290 0.021 -0.359 0.510 282 K N 2.030 122.437 120.400 0.012 0.000 2.515 282 K HA -0.155 nan 4.320 nan 0.000 0.196 282 K C 0.573 177.179 176.600 0.010 0.000 1.038 282 K CA 0.099 56.392 56.287 0.009 0.000 0.967 282 K CB 0.069 32.571 32.500 0.004 0.000 0.780 282 K HN -0.397 7.771 8.250 0.010 0.087 0.483 283 G N -1.274 107.533 108.800 0.012 0.000 2.496 283 G HA2 -0.318 nan 3.960 nan 0.000 0.243 283 G HA3 -0.318 nan 3.960 nan 0.000 0.243 283 G C -0.499 174.403 174.900 0.004 0.000 1.176 283 G CA -0.060 45.049 45.100 0.014 0.000 0.940 283 G HN -0.595 7.800 8.290 0.012 -0.098 0.573 284 I N -3.240 117.333 120.570 0.005 0.000 3.263 284 I HA -0.516 nan 4.170 nan 0.000 0.293 284 I C -1.151 174.946 176.117 -0.033 0.000 0.754 284 I CA 0.923 62.219 61.300 -0.008 0.000 1.643 284 I CB -1.793 36.202 38.000 -0.008 0.000 1.175 284 I HN 0.108 8.327 8.210 0.015 0.000 0.461 285 A N -0.287 122.512 122.820 -0.035 0.000 2.366 285 A HA 0.029 nan 4.320 nan 0.000 0.272 285 A C -0.319 177.216 177.584 -0.081 0.000 1.135 285 A CA -0.680 51.319 52.037 -0.065 0.000 0.804 285 A CB 0.762 19.729 19.000 -0.055 0.000 1.064 285 A HN -0.248 7.800 8.150 -0.017 0.093 0.499 286 N N 3.964 122.593 118.700 -0.117 0.000 2.431 286 N HA 0.053 nan 4.740 nan 0.000 0.265 286 N C -1.001 174.454 175.510 -0.091 0.000 1.184 286 N CA -2.935 50.012 53.050 -0.172 0.000 0.943 286 N CB 0.689 39.076 38.487 -0.166 0.000 1.080 286 N HN 0.411 8.719 8.380 -0.120 0.000 0.477 287 P HA 0.224 nan 4.420 nan 0.000 0.262 287 P C 0.455 177.771 177.300 0.027 0.000 1.304 287 P CA 0.173 63.282 63.100 0.015 0.000 0.859 287 P CB 0.519 32.257 31.700 0.065 0.000 1.310 288 T N 2.883 117.400 114.554 -0.062 0.000 2.635 288 T HA -0.379 nan 4.350 nan 0.000 0.267 288 T C 1.495 176.241 174.700 0.077 0.000 1.040 288 T CA 5.525 67.635 62.100 0.016 0.000 1.156 288 T CB -0.774 68.073 68.868 -0.036 0.000 0.863 288 T HN -0.094 8.258 8.240 -0.199 -0.231 0.430 289 A N 0.356 123.219 122.820 0.071 0.000 1.865 289 A HA -0.334 nan 4.320 nan 0.000 0.217 289 A C 1.587 179.188 177.584 0.028 0.000 1.191 289 A CA 3.328 55.388 52.037 0.037 0.000 0.623 289 A CB -0.948 18.020 19.000 -0.053 0.000 0.826 289 A HN -0.296 7.901 8.150 0.079 0.000 0.444 290 A N -1.238 121.606 122.820 0.040 0.000 1.865 290 A HA -0.338 nan 4.320 nan 0.000 0.217 290 A C 2.193 179.810 177.584 0.054 0.000 1.191 290 A CA 2.882 54.946 52.037 0.045 0.000 0.623 290 A CB -0.782 18.262 19.000 0.072 0.000 0.826 290 A HN -0.169 8.026 8.150 0.075 0.000 0.444 291 I N -1.714 118.897 120.570 0.068 0.000 2.208 291 I HA -0.570 nan 4.170 nan 0.000 0.245 291 I C 2.038 178.198 176.117 0.071 0.000 1.097 291 I CA 4.322 65.663 61.300 0.067 0.000 1.363 291 I CB -0.132 37.925 38.000 0.095 0.000 1.051 291 I HN -0.070 8.187 8.210 0.078 0.000 0.413 292 L N -1.579 119.701 121.223 0.094 0.000 2.291 292 L HA -0.361 nan 4.340 nan 0.000 0.214 292 L C 2.394 179.329 176.870 0.109 0.000 1.120 292 L CA 2.949 57.859 54.840 0.117 0.000 0.799 292 L CB -0.779 41.376 42.059 0.161 0.000 0.925 292 L HN 0.335 8.553 8.230 0.097 0.070 0.446 293 S N 0.601 116.357 115.700 0.094 0.000 2.406 293 S HA -0.229 nan 4.470 nan 0.000 0.228 293 S C 1.654 176.306 174.600 0.087 0.000 1.020 293 S CA 3.753 62.032 58.200 0.133 0.000 0.965 293 S CB -0.737 62.528 63.200 0.108 0.000 0.798 293 S HN 0.276 8.476 8.310 0.076 0.155 0.488 294 A N 1.110 123.947 122.820 0.028 0.000 1.898 294 A HA -0.173 nan 4.320 nan 0.000 0.216 294 A C 1.530 179.084 177.584 -0.051 0.000 1.181 294 A CA 2.873 54.886 52.037 -0.039 0.000 0.620 294 A CB -0.945 18.041 19.000 -0.023 0.000 0.819 294 A HN 0.013 8.080 8.150 0.044 0.110 0.442 295 A N -1.433 121.394 122.820 0.011 0.000 1.908 295 A HA -0.363 nan 4.320 nan 0.000 0.218 295 A C 2.042 179.644 177.584 0.031 0.000 1.181 295 A CA 3.161 55.214 52.037 0.027 0.000 0.627 295 A CB -0.881 18.160 19.000 0.068 0.000 0.818 295 A HN 0.152 8.254 8.150 0.036 0.070 0.445 296 M N -1.778 117.875 119.600 0.088 0.000 2.159 296 M HA -0.419 nan 4.480 nan 0.000 0.263 296 M C 2.130 178.431 176.300 0.002 0.000 1.063 296 M CA 4.006 59.447 55.300 0.236 0.000 1.110 296 M CB 0.011 32.877 32.600 0.443 0.000 1.374 296 M HN -0.322 7.958 8.290 0.104 0.072 0.411 297 M N 0.442 119.688 119.600 -0.589 0.000 2.159 297 M HA -0.358 nan 4.480 nan 0.000 0.263 297 M C 1.855 177.950 176.300 -0.341 0.000 1.063 297 M CA 3.892 58.416 55.300 -1.294 0.000 1.110 297 M CB -0.150 31.854 32.600 -0.993 0.000 1.374 297 M HN -0.278 7.687 8.290 -0.363 0.107 0.411 298 L N -2.197 118.977 121.223 -0.082 0.000 2.027 298 L HA -0.463 nan 4.340 nan 0.000 0.206 298 L C 2.027 178.935 176.870 0.062 0.000 1.074 298 L CA 3.208 58.101 54.840 0.088 0.000 0.745 298 L CB -0.599 41.469 42.059 0.016 0.000 0.898 298 L HN -0.059 7.997 8.230 -0.123 0.099 0.433 299 E N -0.836 119.355 120.200 -0.014 0.000 2.051 299 E HA -0.460 nan 4.350 nan 0.000 0.192 299 E C 2.186 178.696 176.600 -0.151 0.000 0.991 299 E CA 3.471 59.813 56.400 -0.097 0.000 0.799 299 E CB 0.160 29.752 29.700 -0.179 0.000 0.748 299 E HN -0.207 8.144 8.360 -0.016 0.000 0.449 300 H N -1.876 117.229 119.070 0.058 0.000 2.268 300 H HA -0.091 nan 4.556 nan 0.000 0.313 300 H C 2.922 178.255 175.328 0.007 0.000 1.056 300 H CA 3.136 59.242 56.048 0.098 0.000 1.369 300 H CB -0.089 29.837 29.762 0.273 0.000 1.422 300 H HN 0.205 8.548 8.280 0.105 0.000 0.520 301 A N 0.905 123.754 122.820 0.048 0.000 1.892 301 A HA -0.198 nan 4.320 nan 0.000 0.218 301 A C 1.181 178.437 177.584 -0.546 0.000 1.188 301 A CA 2.467 54.277 52.037 -0.378 0.000 0.631 301 A CB -0.263 18.234 19.000 -0.838 0.000 0.822 301 A HN -0.296 7.906 8.150 0.087 0.000 0.447 302 F N -4.749 115.204 119.950 0.005 0.000 2.653 302 F HA 0.080 nan 4.527 nan 0.000 0.304 302 F C 0.530 176.326 175.800 -0.005 0.000 1.092 302 F CA -1.013 56.986 58.000 -0.003 0.000 1.279 302 F CB 0.475 39.459 39.000 -0.027 0.000 1.044 302 F HN -0.726 7.502 8.300 -0.120 0.000 0.564 303 G N -0.246 108.616 108.800 0.104 0.000 2.269 303 G HA2 -0.420 nan 3.960 nan 0.000 0.277 303 G HA3 -0.420 nan 3.960 nan 0.000 0.277 303 G C 0.231 175.160 174.900 0.048 0.000 1.008 303 G CA 1.056 46.188 45.100 0.053 0.000 0.774 303 G HN -0.475 7.671 8.290 0.058 0.179 0.511 304 L N 1.441 122.704 121.223 0.066 0.000 2.955 304 L HA 0.123 nan 4.340 nan 0.000 0.238 304 L C 0.491 177.366 176.870 0.009 0.000 1.359 304 L CA -1.684 53.178 54.840 0.036 0.000 1.214 304 L CB -1.918 40.162 42.059 0.035 0.000 1.600 304 L HN -0.121 8.048 8.230 0.107 0.126 0.442 305 V N 1.446 121.356 119.914 -0.007 0.000 2.311 305 V HA -0.605 nan 4.120 nan 0.000 0.256 305 V C 1.650 177.741 176.094 -0.006 0.000 1.077 305 V CA 4.000 66.287 62.300 -0.022 0.000 1.067 305 V CB -0.938 30.869 31.823 -0.026 0.000 0.659 305 V HN -0.435 7.653 8.190 -0.004 0.099 0.451 306 E N -1.755 118.446 120.200 0.002 0.000 2.077 306 E HA -0.356 nan 4.350 nan 0.000 0.193 306 E C 2.332 178.935 176.600 0.006 0.000 0.989 306 E CA 2.395 58.798 56.400 0.006 0.000 0.800 306 E CB -1.348 28.356 29.700 0.006 0.000 0.746 306 E HN 0.005 8.331 8.360 0.003 0.036 0.452 307 L N -0.366 120.859 121.223 0.003 0.000 2.141 307 L HA -0.239 nan 4.340 nan 0.000 0.209 307 L C 2.055 178.928 176.870 0.005 0.000 1.094 307 L CA 2.217 57.057 54.840 -0.000 0.000 0.763 307 L CB -0.606 41.447 42.059 -0.010 0.000 0.908 307 L HN -0.048 8.183 8.230 0.002 0.000 0.437 308 A N -0.804 122.020 122.820 0.007 0.000 1.933 308 A HA -0.356 nan 4.320 nan 0.000 0.218 308 A C 2.086 179.690 177.584 0.032 0.000 1.175 308 A CA 3.324 55.370 52.037 0.016 0.000 0.628 308 A CB -0.863 18.141 19.000 0.007 0.000 0.814 308 A HN -0.232 7.840 8.150 0.003 0.080 0.444 309 R N -2.329 118.188 120.500 0.028 0.000 2.062 309 R HA -0.293 nan 4.340 nan 0.000 0.231 309 R C 2.188 178.510 176.300 0.037 0.000 1.136 309 R CA 2.199 58.323 56.100 0.041 0.000 0.948 309 R CB -0.755 29.565 30.300 0.032 0.000 0.845 309 R HN -0.403 7.871 8.270 0.018 0.007 0.430 310 K N 0.387 120.801 120.400 0.023 0.000 2.089 310 K HA -0.325 nan 4.320 nan 0.000 0.210 310 K C 2.533 179.142 176.600 0.015 0.000 1.048 310 K CA 3.593 59.890 56.287 0.017 0.000 0.926 310 K CB -0.091 32.415 32.500 0.010 0.000 0.714 310 K HN -0.419 7.843 8.250 0.019 0.000 0.448 311 V N -1.257 118.667 119.914 0.017 0.000 2.307 311 V HA -0.416 nan 4.120 nan 0.000 0.245 311 V C 1.978 178.084 176.094 0.020 0.000 1.045 311 V CA 4.249 66.559 62.300 0.016 0.000 1.024 311 V CB -0.649 31.186 31.823 0.020 0.000 0.651 311 V HN -0.138 8.057 8.190 0.019 0.007 0.449 312 E N -0.705 119.528 120.200 0.055 0.000 2.085 312 E HA -0.487 nan 4.350 nan 0.000 0.194 312 E C 2.343 178.952 176.600 0.015 0.000 0.994 312 E CA 3.403 59.861 56.400 0.097 0.000 0.801 312 E CB -0.395 29.421 29.700 0.194 0.000 0.743 312 E HN -0.173 8.160 8.360 0.061 0.063 0.453 313 D N -0.600 119.810 120.400 0.017 0.000 2.092 313 D HA -0.317 nan 4.640 nan 0.000 0.193 313 D C 2.123 178.353 176.300 -0.116 0.000 0.994 313 D CA 3.249 57.234 54.000 -0.025 0.000 0.828 313 D CB -0.803 40.000 40.800 0.005 0.000 0.963 313 D HN 0.123 8.516 8.370 0.039 0.000 0.450 314 A N -1.259 121.507 122.820 -0.090 0.000 1.908 314 A HA -0.214 nan 4.320 nan 0.000 0.218 314 A C 2.447 179.881 177.584 -0.251 0.000 1.181 314 A CA 3.088 55.040 52.037 -0.141 0.000 0.627 314 A CB -0.507 18.465 19.000 -0.046 0.000 0.818 314 A HN -0.380 7.747 8.150 -0.039 0.000 0.445 315 V N -3.801 116.000 119.914 -0.189 0.000 2.871 315 V HA -0.178 nan 4.120 nan 0.000 0.256 315 V C 1.297 177.171 176.094 -0.367 0.000 1.082 315 V CA 2.063 64.252 62.300 -0.186 0.000 1.105 315 V CB -1.108 30.700 31.823 -0.026 0.000 0.713 315 V HN -0.171 7.858 8.190 -0.128 0.084 0.473 316 A N 1.972 124.490 122.820 -0.502 0.000 1.841 316 A HA -0.301 nan 4.320 nan 0.000 0.214 316 A C 1.958 179.321 177.584 -0.369 0.000 1.195 316 A CA 3.420 55.068 52.037 -0.649 0.000 0.611 316 A CB -0.578 18.190 19.000 -0.386 0.000 0.835 316 A HN 0.197 7.978 8.150 -0.367 0.149 0.443 317 K N -2.342 117.852 120.400 -0.344 0.000 2.147 317 K HA -0.340 nan 4.320 nan 0.000 0.205 317 K C 2.121 178.482 176.600 -0.398 0.000 1.049 317 K CA 3.026 59.097 56.287 -0.361 0.000 0.936 317 K CB -0.039 32.150 32.500 -0.517 0.000 0.722 317 K HN -0.019 8.027 8.250 -0.340 0.000 0.446 318 A N -0.371 122.162 122.820 -0.478 0.000 1.933 318 A HA -0.199 nan 4.320 nan 0.000 0.218 318 A C 2.182 179.670 177.584 -0.160 0.000 1.175 318 A CA 2.933 54.679 52.037 -0.484 0.000 0.628 318 A CB -0.884 17.644 19.000 -0.786 0.000 0.814 318 A HN -0.385 7.372 8.150 -0.494 0.097 0.444 319 L N -4.539 116.697 121.223 0.023 0.000 2.201 319 L HA -0.278 nan 4.340 nan 0.000 0.212 319 L C 0.904 177.817 176.870 0.072 0.000 1.105 319 L CA 2.203 57.142 54.840 0.165 0.000 0.775 319 L CB -0.138 41.949 42.059 0.047 0.000 0.913 319 L HN -0.494 7.585 8.230 -0.100 0.090 0.440 320 L N -3.624 117.593 121.223 -0.009 0.000 2.127 320 L HA -0.213 nan 4.340 nan 0.000 0.203 320 L C 1.630 178.505 176.870 0.008 0.000 1.080 320 L CA 1.767 56.608 54.840 0.000 0.000 0.768 320 L CB 0.360 42.407 42.059 -0.020 0.000 0.924 320 L HN -0.713 7.338 8.230 -0.071 0.136 0.444 321 E N -1.902 118.288 120.200 -0.017 0.000 2.021 321 E HA -0.118 nan 4.350 nan 0.000 0.189 321 E C 0.697 177.309 176.600 0.021 0.000 0.980 321 E CA 1.897 58.298 56.400 0.000 0.000 0.803 321 E CB 0.925 30.624 29.700 -0.003 0.000 0.766 321 E HN -0.364 7.960 8.360 -0.061 0.000 0.449 322 T N -3.397 111.172 114.554 0.025 0.000 3.331 322 T HA 0.435 nan 4.350 nan 0.000 0.381 322 T C -2.190 172.657 174.700 0.244 0.000 1.656 322 T CA -3.456 58.698 62.100 0.090 0.000 1.453 322 T CB -0.363 68.533 68.868 0.047 0.000 1.066 322 T HN -0.454 7.772 8.240 -0.023 0.000 0.655 323 P HA 0.173 nan 4.420 nan 0.000 0.271 323 P C -1.925 175.443 177.300 0.113 0.000 1.220 323 P CA -1.622 61.575 63.100 0.162 0.000 0.768 323 P CB -0.651 31.099 31.700 0.084 0.000 0.848 324 P HA 0.144 nan 4.420 nan 0.000 0.272 324 P C -0.544 176.738 177.300 -0.030 0.000 1.240 324 P CA -1.575 61.490 63.100 -0.059 0.000 0.791 324 P CB -0.621 30.915 31.700 -0.273 0.000 0.978 325 P HA -0.351 nan 4.420 nan 0.000 0.219 325 P C 1.145 178.434 177.300 -0.018 0.000 1.161 325 P CA 3.068 66.160 63.100 -0.013 0.000 0.909 325 P CB -0.027 31.664 31.700 -0.016 0.000 0.793 326 D N -2.782 117.597 120.400 -0.034 0.000 2.133 326 D HA -0.354 nan 4.640 nan 0.000 0.192 326 D C 1.349 177.642 176.300 -0.012 0.000 1.001 326 D CA 2.509 56.493 54.000 -0.026 0.000 0.844 326 D CB -0.986 39.791 40.800 -0.037 0.000 0.944 326 D HN 0.310 8.650 8.370 -0.051 0.000 0.447 327 L N -1.352 119.863 121.223 -0.013 0.000 2.682 327 L HA 0.056 nan 4.340 nan 0.000 0.240 327 L C -0.159 176.720 176.870 0.015 0.000 1.178 327 L CA -0.465 54.379 54.840 0.007 0.000 0.970 327 L CB -0.719 41.348 42.059 0.014 0.000 1.179 327 L HN -0.581 7.626 8.230 -0.030 0.004 0.435 328 G N -1.594 107.212 108.800 0.010 0.000 2.473 328 G HA2 -0.326 nan 3.960 nan 0.000 0.289 328 G HA3 -0.326 nan 3.960 nan 0.000 0.289 328 G C -0.672 174.240 174.900 0.021 0.000 1.084 328 G CA 0.022 45.131 45.100 0.014 0.000 1.215 328 G HN -0.140 7.950 8.290 0.003 0.202 0.527 329 G N -0.377 108.435 108.800 0.020 0.000 2.870 329 G HA2 0.489 nan 3.960 nan 0.000 0.299 329 G HA3 0.489 nan 3.960 nan 0.000 0.299 329 G C -1.609 173.309 174.900 0.029 0.000 1.324 329 G CA -0.001 45.119 45.100 0.032 0.000 0.808 329 G HN -0.709 7.481 8.290 0.012 0.106 0.535 330 S N -0.265 115.461 115.700 0.042 0.000 2.670 330 S HA 0.054 nan 4.470 nan 0.000 0.241 330 S C 0.908 175.539 174.600 0.053 0.000 1.077 330 S CA -0.118 58.105 58.200 0.038 0.000 0.899 330 S CB 2.198 65.418 63.200 0.034 0.000 0.835 330 S HN 0.012 8.355 8.310 0.055 0.000 0.481 331 A N 4.946 127.817 122.820 0.085 0.000 2.540 331 A HA -0.124 nan 4.320 nan 0.000 0.268 331 A C -0.162 177.488 177.584 0.110 0.000 1.061 331 A CA 0.885 52.999 52.037 0.128 0.000 0.821 331 A CB 0.019 19.160 19.000 0.236 0.000 0.970 331 A HN -0.653 7.551 8.150 0.090 0.000 0.524 332 G N 2.254 111.105 108.800 0.085 0.000 2.588 332 G HA2 0.062 nan 3.960 nan 0.000 0.278 332 G HA3 0.062 nan 3.960 nan 0.000 0.278 332 G C 0.497 175.450 174.900 0.088 0.000 1.307 332 G CA -1.106 44.028 45.100 0.058 0.000 1.016 332 G HN -0.342 7.994 8.290 0.078 0.000 0.503 333 T N 1.352 115.939 114.554 0.055 0.000 2.597 333 T HA -0.381 nan 4.350 nan 0.000 0.267 333 T C 2.334 177.102 174.700 0.113 0.000 1.053 333 T CA 4.743 66.886 62.100 0.071 0.000 1.165 333 T CB -0.126 68.767 68.868 0.042 0.000 0.863 333 T HN 0.141 8.487 8.240 0.031 -0.087 0.427 334 E N 0.994 121.243 120.200 0.082 0.000 2.077 334 E HA -0.306 nan 4.350 nan 0.000 0.193 334 E C 1.337 177.986 176.600 0.081 0.000 0.989 334 E CA 3.293 59.737 56.400 0.073 0.000 0.800 334 E CB -0.726 29.004 29.700 0.050 0.000 0.746 334 E HN 0.407 8.806 8.360 0.064 0.000 0.452 335 A N -0.100 122.773 122.820 0.088 0.000 1.858 335 A HA -0.245 nan 4.320 nan 0.000 0.216 335 A C 1.969 179.610 177.584 0.095 0.000 1.190 335 A CA 2.613 54.696 52.037 0.077 0.000 0.617 335 A CB -0.808 18.238 19.000 0.076 0.000 0.827 335 A HN -0.386 7.816 8.150 0.088 0.000 0.443 336 F N -1.379 118.576 119.950 0.008 0.000 2.091 336 F HA -0.508 nan 4.527 nan 0.000 0.299 336 F C 1.832 177.635 175.800 0.004 0.000 1.103 336 F CA 4.042 62.044 58.000 0.003 0.000 1.228 336 F CB 0.313 39.313 39.000 -0.001 0.000 0.984 336 F HN 0.203 8.671 8.300 0.280 0.000 0.477 337 T N 0.845 115.528 114.554 0.215 0.000 2.699 337 T HA -0.517 nan 4.350 nan 0.000 0.268 337 T C 1.641 176.333 174.700 -0.014 0.000 1.036 337 T CA 4.897 67.063 62.100 0.110 0.000 1.147 337 T CB -0.835 68.100 68.868 0.111 0.000 0.862 337 T HN -0.234 8.169 8.240 0.271 0.000 0.446 338 A N 0.580 123.393 122.820 -0.011 0.000 1.883 338 A HA -0.331 nan 4.320 nan 0.000 0.217 338 A C 1.524 179.068 177.584 -0.067 0.000 1.186 338 A CA 3.319 55.339 52.037 -0.029 0.000 0.624 338 A CB -1.065 17.927 19.000 -0.013 0.000 0.822 338 A HN -0.356 7.726 8.150 0.024 0.083 0.444 339 T N -2.284 112.193 114.554 -0.129 0.000 2.929 339 T HA -0.206 nan 4.350 nan 0.000 0.271 339 T C 1.977 176.615 174.700 -0.102 0.000 1.085 339 T CA 3.598 65.618 62.100 -0.133 0.000 1.125 339 T CB -0.306 68.439 68.868 -0.205 0.000 0.874 339 T HN -0.369 7.718 8.240 -0.140 0.069 0.494 340 V N 2.234 122.020 119.914 -0.213 0.000 2.302 340 V HA -0.291 nan 4.120 nan 0.000 0.243 340 V C 1.601 177.681 176.094 -0.022 0.000 1.036 340 V CA 3.689 65.898 62.300 -0.152 0.000 1.020 340 V CB -0.618 31.126 31.823 -0.132 0.000 0.657 340 V HN -0.446 7.434 8.190 -0.246 0.163 0.453 341 L N -1.899 119.307 121.223 -0.027 0.000 2.127 341 L HA -0.490 nan 4.340 nan 0.000 0.211 341 L C 2.024 178.885 176.870 -0.015 0.000 1.089 341 L CA 3.281 58.113 54.840 -0.014 0.000 0.757 341 L CB -0.842 41.207 42.059 -0.017 0.000 0.899 341 L HN -0.037 8.165 8.230 -0.045 0.000 0.434 342 R N -3.293 117.194 120.500 -0.021 0.000 2.073 342 R HA -0.326 nan 4.340 nan 0.000 0.234 342 R C 3.052 179.275 176.300 -0.128 0.000 1.134 342 R CA 3.204 59.252 56.100 -0.087 0.000 0.952 342 R CB -0.153 30.065 30.300 -0.137 0.000 0.850 342 R HN -0.197 7.958 8.270 -0.013 0.107 0.433 343 H N -1.435 117.587 119.070 -0.080 0.000 2.470 343 H HA -0.131 nan 4.556 nan 0.000 0.289 343 H C 1.535 176.830 175.328 -0.055 0.000 1.033 343 H CA 2.053 58.060 56.048 -0.069 0.000 1.331 343 H CB 0.172 29.883 29.762 -0.085 0.000 1.414 343 H HN -0.538 7.861 8.280 0.198 0.000 0.545 344 L N -2.464 118.796 121.223 0.062 0.000 2.549 344 L HA -0.177 nan 4.340 nan 0.000 0.229 344 L C -1.408 175.463 176.870 0.001 0.000 1.158 344 L CA 0.902 55.755 54.840 0.021 0.000 0.842 344 L CB -0.014 42.048 42.059 0.005 0.000 0.952 344 L HN -0.196 7.939 8.230 0.060 0.131 0.452 345 A N 0.000 122.812 122.820 -0.014 0.000 2.254 345 A HA 0.000 nan 4.320 nan 0.000 0.244 345 A CA 0.000 52.021 52.037 -0.027 0.000 0.836 345 A CB 0.000 18.978 19.000 -0.037 0.000 0.831 345 A HN 0.000 7.956 8.150 -0.021 0.182 0.486