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 1rlc_1_L DATA FIRST_RESID 22 DATA SEQUENCE LTYYTPEYQT KDTDILAAFR VTPQPGVPPE EAGAAVAAES STXXXXXVWT DATA SEQUENCE DGLTSLDRYK GRCYRIERVV GEKDQYIAYV AYPLDLFEEG SVTNMFTSIV DATA SEQUENCE GNVFGFKALR ALRLEDLRIP PAYVKTFQGP PHGIQVERDK LNKYGRPLLG DATA SEQUENCE cTIKPKLGLS AKNYGRAVYE cLRGGLDFTK DDENVNSQPF MRWRDRFLFC DATA SEQUENCE AEALYKAQAE TGEIKGHYLN ATAGTCEEMI KRAVFARELG VPIVMHDYLT DATA SEQUENCE GGFTANTSLA HYCRDNGLLL HIHRAMHAVI DRQKNHGIHF RVLAKALRMS DATA SEQUENCE GGDHIHSGTV VGKLEGERDI TLGFVDLLRD DFVEQDRSRG IYFTQDWVSL DATA SEQUENCE PGVLPVASGG IHVWHMPALT EIFGDDSVLQ FGGGTLGHPW GNAPGAVANR DATA SEQUENCE VALEACVKAR NEGRDLAQEG NEIIREACKW SPELAAACEV WKEIVF 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 22 L HA 0.000 nan 4.340 nan 0.000 0.249 22 L C 0.000 176.854 176.870 -0.027 0.000 1.165 22 L CA 0.000 54.860 54.840 0.034 0.000 0.813 22 L CB 0.000 42.109 42.059 0.083 0.000 0.961 23 T N -1.772 112.728 114.554 -0.088 0.000 2.649 23 T HA -0.203 4.147 4.350 -0.000 0.000 0.268 23 T C 1.142 175.578 174.700 -0.440 0.000 1.036 23 T CA 2.796 64.723 62.100 -0.288 0.000 1.157 23 T CB -0.687 67.967 68.868 -0.356 0.000 0.861 23 T HN 0.600 nan 8.240 nan 0.000 0.445 24 Y N -0.694 119.613 120.300 0.012 0.000 2.467 24 Y HA 0.411 4.961 4.550 -0.000 0.000 0.250 24 Y C 0.111 176.049 175.900 0.063 0.000 1.155 24 Y CA -1.375 56.725 58.100 0.001 0.000 1.249 24 Y CB 0.409 38.857 38.460 -0.021 0.000 1.146 24 Y HN 0.250 nan 8.280 nan 0.000 0.524 25 Y N 1.751 122.087 120.300 0.059 0.000 2.376 25 Y HA 0.462 5.012 4.550 -0.000 0.000 0.326 25 Y C -0.407 175.511 175.900 0.030 0.000 0.970 25 Y CA -1.837 56.287 58.100 0.040 0.000 1.248 25 Y CB 0.752 39.225 38.460 0.022 0.000 1.117 25 Y HN 0.028 nan 8.280 nan 0.000 0.476 26 T N 5.558 119.901 114.554 -0.351 0.000 3.241 26 T HA 0.287 4.637 4.350 -0.000 0.000 0.387 26 T C -2.382 172.157 174.700 -0.269 0.000 1.451 26 T CA -1.840 60.082 62.100 -0.297 0.000 1.363 26 T CB 1.283 70.085 68.868 -0.110 0.000 1.074 26 T HN 0.470 nan 8.240 nan 0.000 0.598 27 P HA 0.002 nan 4.420 nan 0.000 0.230 27 P C 0.836 178.116 177.300 -0.034 0.000 1.158 27 P CA 0.632 63.614 63.100 -0.196 0.000 0.769 27 P CB 0.435 31.981 31.700 -0.257 0.000 0.807 28 E N -0.487 119.680 120.200 -0.055 0.000 2.118 28 E HA -0.164 4.186 4.350 -0.000 0.000 0.195 28 E C 0.681 177.294 176.600 0.022 0.000 0.992 28 E CA 0.647 57.039 56.400 -0.013 0.000 0.804 28 E CB -1.250 28.441 29.700 -0.016 0.000 0.741 28 E HN 0.336 nan 8.360 nan 0.000 0.458 29 Y N 2.056 122.319 120.300 -0.062 0.000 2.620 29 Y HA 0.029 4.579 4.550 -0.000 0.000 0.330 29 Y C -0.413 175.413 175.900 -0.124 0.000 1.186 29 Y CA -0.570 57.480 58.100 -0.083 0.000 1.467 29 Y CB 0.260 38.680 38.460 -0.067 0.000 1.262 29 Y HN -0.066 nan 8.280 nan 0.000 0.550 30 Q N 3.250 122.519 119.800 -0.885 0.000 2.372 30 Q HA 0.306 4.646 4.340 -0.000 0.000 0.259 30 Q C -0.344 174.991 176.000 -1.109 0.000 0.993 30 Q CA -0.852 54.515 55.803 -0.727 0.000 0.854 30 Q CB 0.267 28.759 28.738 -0.410 0.000 1.231 30 Q HN 0.622 nan 8.270 nan 0.000 0.462 31 T N 0.113 114.212 114.554 -0.759 0.000 2.884 31 T HA 0.376 4.726 4.350 -0.000 0.000 0.298 31 T C 0.047 174.587 174.700 -0.267 0.000 0.998 31 T CA -0.860 60.935 62.100 -0.508 0.000 1.124 31 T CB 0.710 69.376 68.868 -0.338 0.000 0.931 31 T HN 0.464 nan 8.240 nan 0.000 0.531 32 K N 2.150 122.475 120.400 -0.124 0.000 2.237 32 K HA 0.141 4.461 4.320 -0.000 0.000 0.270 32 K C 0.818 177.406 176.600 -0.021 0.000 1.015 32 K CA -0.653 55.604 56.287 -0.050 0.000 0.949 32 K CB 0.585 33.097 32.500 0.021 0.000 0.976 32 K HN 0.609 nan 8.250 nan 0.000 0.472 33 D N 0.925 121.315 120.400 -0.016 0.000 2.310 33 D HA -0.087 4.553 4.640 -0.000 0.000 0.212 33 D C 0.138 176.448 176.300 0.017 0.000 0.965 33 D CA 1.243 55.243 54.000 -0.001 0.000 0.879 33 D CB 0.127 40.930 40.800 0.005 0.000 0.921 33 D HN 0.570 nan 8.370 nan 0.000 0.510 34 T N -0.541 114.033 114.554 0.033 0.000 3.332 34 T HA 0.471 4.821 4.350 -0.000 0.000 0.385 34 T C -0.711 174.032 174.700 0.071 0.000 1.695 34 T CA -0.883 61.251 62.100 0.056 0.000 1.397 34 T CB 1.184 70.093 68.868 0.068 0.000 1.100 34 T HN -0.287 nan 8.240 nan 0.000 0.669 35 D N 1.208 121.639 120.400 0.052 0.000 2.736 35 D HA 0.444 5.084 4.640 -0.000 0.000 0.223 35 D C -0.756 175.563 176.300 0.032 0.000 1.231 35 D CA -0.564 53.489 54.000 0.088 0.000 0.818 35 D CB 2.023 42.886 40.800 0.104 0.000 1.587 35 D HN 0.432 nan 8.370 nan 0.000 0.463 36 I N 2.199 122.823 120.570 0.090 0.000 2.339 36 I HA 0.355 4.525 4.170 -0.000 0.000 0.290 36 I C -0.349 175.848 176.117 0.133 0.000 0.994 36 I CA -0.670 60.611 61.300 -0.031 0.000 1.191 36 I CB 1.063 38.900 38.000 -0.272 0.000 1.343 36 I HN 0.081 nan 8.210 nan 0.000 0.458 37 L N 6.047 127.217 121.223 -0.089 0.000 2.317 37 L HA 0.794 5.134 4.340 -0.000 0.000 0.281 37 L C 0.038 176.792 176.870 -0.192 0.000 1.024 37 L CA -0.580 54.230 54.840 -0.051 0.000 0.810 37 L CB 1.698 43.651 42.059 -0.176 0.000 1.240 37 L HN 0.634 nan 8.230 nan 0.000 0.427 38 A N 2.193 125.093 122.820 0.134 0.000 2.343 38 A HA 0.833 5.153 4.320 -0.000 0.000 0.316 38 A C -0.404 177.219 177.584 0.065 0.000 1.104 38 A CA -0.540 51.500 52.037 0.004 0.000 0.768 38 A CB 1.560 20.519 19.000 -0.067 0.000 1.213 38 A HN 0.757 nan 8.150 nan 0.000 0.456 39 A N 2.470 125.252 122.820 -0.063 0.000 2.444 39 A HA 0.663 4.983 4.320 -0.000 0.000 0.332 39 A C -0.970 176.325 177.584 -0.482 0.000 1.430 39 A CA -0.265 51.487 52.037 -0.474 0.000 0.975 39 A CB -0.598 17.982 19.000 -0.700 0.000 1.147 39 A HN 0.597 nan 8.150 nan 0.000 0.524 40 F N 1.462 121.221 119.950 -0.318 0.000 2.410 40 F HA 0.408 4.935 4.527 -0.000 0.000 0.349 40 F C 1.061 176.718 175.800 -0.238 0.000 1.117 40 F CA -0.379 57.473 58.000 -0.246 0.000 1.104 40 F CB 1.286 40.154 39.000 -0.219 0.000 1.122 40 F HN 0.619 nan 8.300 nan 0.000 0.483 41 R N 3.503 123.992 120.500 -0.018 0.000 2.296 41 R HA 0.501 4.841 4.340 -0.000 0.000 0.323 41 R C -1.496 174.808 176.300 0.007 0.000 1.067 41 R CA -0.207 55.889 56.100 -0.008 0.000 0.946 41 R CB 0.782 31.079 30.300 -0.006 0.000 0.991 41 R HN 0.606 nan 8.270 nan 0.000 0.448 42 V N 4.185 124.116 119.914 0.029 0.000 2.604 42 V HA 0.451 4.571 4.120 -0.000 0.000 0.305 42 V C -0.992 175.151 176.094 0.082 0.000 1.043 42 V CA -0.319 61.988 62.300 0.012 0.000 0.888 42 V CB 2.475 34.279 31.823 -0.032 0.000 0.995 42 V HN 0.916 nan 8.190 nan 0.000 0.429 43 T N 9.137 123.721 114.554 0.049 0.000 2.893 43 T HA 0.505 4.855 4.350 -0.000 0.000 0.324 43 T C -2.760 171.977 174.700 0.062 0.000 1.082 43 T CA -0.888 61.244 62.100 0.053 0.000 0.983 43 T CB 1.443 70.328 68.868 0.029 0.000 1.005 43 T HN 0.604 nan 8.240 nan 0.000 0.475 44 P HA 0.273 nan 4.420 nan 0.000 0.276 44 P C -0.171 177.145 177.300 0.027 0.000 1.261 44 P CA -0.836 62.298 63.100 0.058 0.000 0.800 44 P CB 0.571 32.317 31.700 0.076 0.000 1.066 45 Q N 0.506 120.301 119.800 -0.008 0.000 2.392 45 Q HA 0.134 4.474 4.340 -0.000 0.000 0.262 45 Q C -1.876 174.123 176.000 -0.001 0.000 1.003 45 Q CA -1.449 54.342 55.803 -0.020 0.000 0.888 45 Q CB -1.056 27.651 28.738 -0.052 0.000 1.260 45 Q HN 0.321 nan 8.270 nan 0.000 0.435 46 P HA -0.201 nan 4.420 nan 0.000 0.024 46 P C 0.049 177.343 177.300 -0.010 0.000 0.497 46 P CA 1.834 64.930 63.100 -0.007 0.000 1.038 46 P CB -0.939 30.752 31.700 -0.015 0.000 1.882 47 G N -0.054 108.746 108.800 -0.000 0.000 2.291 47 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.271 47 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.271 47 G C -0.205 174.689 174.900 -0.008 0.000 1.099 47 G CA -0.324 44.775 45.100 -0.003 0.000 0.919 47 G HN 0.572 nan 8.290 nan 0.000 0.496 48 V N 0.980 120.891 119.914 -0.005 0.000 2.524 48 V HA 0.468 4.588 4.120 -0.000 0.000 0.297 48 V C -2.001 174.078 176.094 -0.025 0.000 1.035 48 V CA -1.510 60.782 62.300 -0.014 0.000 0.867 48 V CB 2.386 34.200 31.823 -0.014 0.000 1.004 48 V HN 0.242 nan 8.190 nan 0.000 0.426 49 P HA 0.233 nan 4.420 nan 0.000 0.271 49 P C -1.913 175.260 177.300 -0.212 0.000 1.218 49 P CA -1.338 61.700 63.100 -0.104 0.000 0.780 49 P CB 0.381 32.024 31.700 -0.096 0.000 0.901 50 P HA -0.239 nan 4.420 nan 0.000 0.216 50 P C 0.991 178.003 177.300 -0.481 0.000 1.154 50 P CA 1.697 64.396 63.100 -0.668 0.000 0.865 50 P CB 0.121 31.048 31.700 -1.289 0.000 0.789 51 E N 0.258 120.171 120.200 -0.478 0.000 2.070 51 E HA -0.215 4.135 4.350 -0.000 0.000 0.197 51 E C 2.112 178.509 176.600 -0.338 0.000 1.004 51 E CA 1.573 57.629 56.400 -0.573 0.000 0.805 51 E CB -0.763 28.670 29.700 -0.445 0.000 0.744 51 E HN 0.377 nan 8.360 nan 0.000 0.451 52 E N -0.159 119.929 120.200 -0.188 0.000 2.112 52 E HA -0.010 4.340 4.350 -0.000 0.000 0.190 52 E C 1.863 178.418 176.600 -0.075 0.000 0.979 52 E CA 0.904 57.253 56.400 -0.085 0.000 0.814 52 E CB -0.154 29.532 29.700 -0.023 0.000 0.762 52 E HN 0.296 nan 8.360 nan 0.000 0.460 53 A N 0.614 123.373 122.820 -0.101 0.000 1.851 53 A HA -0.149 4.171 4.320 -0.000 0.000 0.216 53 A C 2.457 179.959 177.584 -0.137 0.000 1.195 53 A CA 1.962 53.959 52.037 -0.067 0.000 0.622 53 A CB -1.484 17.469 19.000 -0.079 0.000 0.831 53 A HN 0.384 nan 8.150 nan 0.000 0.444 54 G N -0.717 107.972 108.800 -0.185 0.000 2.469 54 G HA2 -0.046 3.914 3.960 -0.000 0.000 0.219 54 G HA3 -0.046 3.914 3.960 -0.000 0.000 0.219 54 G C 1.704 176.529 174.900 -0.125 0.000 1.150 54 G CA 1.689 46.687 45.100 -0.171 0.000 0.763 54 G HN 0.923 nan 8.290 nan 0.000 0.561 55 A N 0.730 123.498 122.820 -0.087 0.000 2.014 55 A HA 0.434 4.754 4.320 -0.000 0.000 0.218 55 A C 2.730 180.235 177.584 -0.131 0.000 1.163 55 A CA 1.880 53.919 52.037 0.002 0.000 0.652 55 A CB -0.481 18.580 19.000 0.103 0.000 0.808 55 A HN 0.702 nan 8.150 nan 0.000 0.449 56 A N -0.368 122.325 122.820 -0.211 0.000 1.897 56 A HA 0.070 4.390 4.320 -0.000 0.000 0.215 56 A C 2.172 179.430 177.584 -0.543 0.000 1.181 56 A CA 1.502 53.281 52.037 -0.430 0.000 0.620 56 A CB -0.931 17.747 19.000 -0.536 0.000 0.821 56 A HN 0.331 nan 8.150 nan 0.000 0.443 57 V N 0.205 119.850 119.914 -0.447 0.000 2.231 57 V HA -0.361 3.759 4.120 -0.000 0.000 0.250 57 V C 3.075 178.938 176.094 -0.385 0.000 1.058 57 V CA 2.359 64.357 62.300 -0.504 0.000 1.022 57 V CB -1.399 30.065 31.823 -0.599 0.000 0.640 57 V HN 0.622 nan 8.190 nan 0.000 0.445 58 A N -0.364 122.287 122.820 -0.283 0.000 1.940 58 A HA -0.116 4.204 4.320 -0.000 0.000 0.219 58 A C 2.393 179.749 177.584 -0.379 0.000 1.176 58 A CA 2.256 54.164 52.037 -0.217 0.000 0.631 58 A CB -0.779 18.169 19.000 -0.087 0.000 0.814 58 A HN 0.637 nan 8.150 nan 0.000 0.446 59 A N -0.250 122.164 122.820 -0.676 0.000 1.898 59 A HA -0.142 4.178 4.320 -0.000 0.000 0.216 59 A C 1.894 179.151 177.584 -0.544 0.000 1.181 59 A CA 1.606 52.988 52.037 -1.092 0.000 0.620 59 A CB -0.449 17.924 19.000 -1.044 0.000 0.819 59 A HN 0.619 nan 8.150 nan 0.000 0.442 60 E N 0.398 120.339 120.200 -0.433 0.000 2.285 60 E HA -0.038 4.312 4.350 -0.000 0.000 0.194 60 E C 0.936 177.453 176.600 -0.138 0.000 0.997 60 E CA 0.798 57.023 56.400 -0.290 0.000 0.845 60 E CB -0.002 29.471 29.700 -0.378 0.000 0.782 60 E HN 0.666 nan 8.360 nan 0.000 0.491 61 S N -0.356 115.313 115.700 -0.053 0.000 2.582 61 S HA 0.208 4.678 4.470 -0.000 0.000 0.249 61 S C 0.717 175.424 174.600 0.179 0.000 1.072 61 S CA 0.077 58.349 58.200 0.119 0.000 1.115 61 S CB 0.227 63.613 63.200 0.309 0.000 0.790 61 S HN 0.180 nan 8.310 nan 0.000 0.459 62 S N -0.016 115.710 115.700 0.043 0.000 5.768 62 S HA 0.241 4.711 4.470 -0.000 0.000 0.129 62 S C 0.232 174.849 174.600 0.029 0.000 1.124 62 S CA 0.360 58.597 58.200 0.061 0.000 1.411 62 S CB 0.111 63.394 63.200 0.138 0.000 1.995 62 S HN 0.625 nan 8.310 nan 0.000 0.565 70 W N 1.321 122.649 121.300 0.047 0.000 4.441 70 W HA 0.338 4.998 4.660 -0.000 0.000 0.179 70 W C 1.063 177.601 176.519 0.031 0.000 2.822 70 W CA 1.646 59.013 57.345 0.037 0.000 2.030 70 W CB -0.341 29.135 29.460 0.026 0.000 1.760 70 W HN 0.163 nan 8.180 nan 0.000 0.574 71 T N 0.435 114.993 114.554 0.006 0.000 3.781 71 T HA 0.144 4.494 4.350 -0.000 0.000 0.286 71 T C -0.268 174.375 174.700 -0.095 0.000 1.277 71 T CA -0.078 61.872 62.100 -0.250 0.000 1.136 71 T CB -0.210 68.508 68.868 -0.249 0.000 1.202 71 T HN -0.015 nan 8.240 nan 0.000 0.884 72 D N 1.900 122.252 120.400 -0.079 0.000 2.325 72 D HA 0.153 4.793 4.640 -0.000 0.000 0.225 72 D C 1.781 178.057 176.300 -0.039 0.000 1.096 72 D CA 0.031 54.025 54.000 -0.011 0.000 0.844 72 D CB 0.231 41.050 40.800 0.033 0.000 0.925 72 D HN 0.733 nan 8.370 nan 0.000 0.513 73 G N -0.049 108.698 108.800 -0.089 0.000 3.126 73 G HA2 0.057 4.017 3.960 -0.000 0.000 0.224 73 G HA3 0.057 4.017 3.960 -0.000 0.000 0.224 73 G C 1.201 176.060 174.900 -0.069 0.000 1.142 73 G CA -0.061 44.989 45.100 -0.082 0.000 0.759 73 G HN 0.132 nan 8.290 nan 0.000 0.550 74 L N -0.367 120.818 121.223 -0.063 0.000 2.575 74 L HA 0.382 4.722 4.340 -0.000 0.000 0.228 74 L C 1.569 178.437 176.870 -0.004 0.000 1.075 74 L CA 0.957 55.775 54.840 -0.038 0.000 0.867 74 L CB 0.815 42.847 42.059 -0.045 0.000 1.097 74 L HN 0.193 nan 8.230 nan 0.000 0.485 75 T N -3.085 111.479 114.554 0.016 0.000 2.586 75 T HA 0.477 4.827 4.350 -0.000 0.000 0.224 75 T C -0.676 174.060 174.700 0.060 0.000 0.878 75 T CA 0.010 62.149 62.100 0.065 0.000 1.153 75 T CB 1.092 70.020 68.868 0.101 0.000 1.777 75 T HN -0.070 nan 8.240 nan 0.000 0.522 76 S N 1.007 116.766 115.700 0.097 0.000 2.736 76 S HA 0.389 4.859 4.470 -0.000 0.000 0.285 76 S C 0.681 175.320 174.600 0.065 0.000 1.163 76 S CA -0.792 57.432 58.200 0.040 0.000 1.025 76 S CB 0.897 64.090 63.200 -0.013 0.000 1.030 76 S HN 0.673 nan 8.310 nan 0.000 0.486 77 L N 3.425 124.675 121.223 0.046 0.000 2.012 77 L HA -0.077 4.263 4.340 -0.000 0.000 0.210 77 L C 1.358 178.239 176.870 0.017 0.000 1.073 77 L CA 2.127 57.005 54.840 0.064 0.000 0.748 77 L CB -0.577 41.500 42.059 0.030 0.000 0.891 77 L HN 0.755 nan 8.230 nan 0.000 0.431 78 D N -0.593 119.780 120.400 -0.045 0.000 2.182 78 D HA -0.242 4.398 4.640 -0.000 0.000 0.201 78 D C 2.154 178.384 176.300 -0.117 0.000 0.986 78 D CA 1.031 54.980 54.000 -0.085 0.000 0.847 78 D CB -0.131 40.620 40.800 -0.082 0.000 0.942 78 D HN 0.381 nan 8.370 nan 0.000 0.467 79 R N -0.398 119.990 120.500 -0.187 0.000 2.073 79 R HA -0.110 4.230 4.340 -0.000 0.000 0.229 79 R C 1.246 177.267 176.300 -0.464 0.000 1.120 79 R CA 0.959 56.829 56.100 -0.384 0.000 0.967 79 R CB 0.030 29.986 30.300 -0.573 0.000 0.862 79 R HN 0.180 nan 8.270 nan 0.000 0.436 80 Y N 0.862 121.168 120.300 0.010 0.000 2.485 80 Y HA 0.154 4.704 4.550 -0.000 0.000 0.260 80 Y C -0.095 175.829 175.900 0.041 0.000 1.173 80 Y CA -0.341 57.768 58.100 0.014 0.000 1.252 80 Y CB 0.167 38.630 38.460 0.005 0.000 1.123 80 Y HN -0.031 nan 8.280 nan 0.000 0.524 81 K N 0.431 120.900 120.400 0.114 0.000 2.298 81 K HA 0.457 4.777 4.320 -0.000 0.000 0.280 81 K C 0.541 177.206 176.600 0.108 0.000 1.032 81 K CA -0.329 56.063 56.287 0.175 0.000 0.958 81 K CB 0.929 33.515 32.500 0.143 0.000 0.978 81 K HN 0.148 nan 8.250 nan 0.000 0.472 82 G N 3.110 111.992 108.800 0.137 0.000 2.406 82 G HA2 0.168 4.128 3.960 -0.000 0.000 0.251 82 G HA3 0.168 4.128 3.960 -0.000 0.000 0.251 82 G C -0.725 174.162 174.900 -0.022 0.000 1.271 82 G CA -0.821 44.246 45.100 -0.054 0.000 0.859 82 G HN 0.626 nan 8.290 nan 0.000 0.540 83 R N 1.109 121.521 120.500 -0.147 0.000 2.343 83 R HA 0.295 4.635 4.340 -0.000 0.000 0.320 83 R C -0.791 175.535 176.300 0.043 0.000 0.956 83 R CA -0.620 55.422 56.100 -0.096 0.000 0.836 83 R CB 1.788 31.832 30.300 -0.426 0.000 1.151 83 R HN 0.494 nan 8.270 nan 0.000 0.450 84 C N 5.526 124.903 119.300 0.127 0.000 2.349 84 C HA 0.252 4.712 4.460 -0.000 0.000 0.348 84 C C 0.896 176.060 174.990 0.289 0.000 1.223 84 C CA -0.550 58.576 59.018 0.179 0.000 1.746 84 C CB -1.143 26.718 27.740 0.202 0.000 2.360 84 C HN 0.981 nan 8.230 nan 0.000 0.533 85 Y N 3.463 123.890 120.300 0.212 0.000 2.481 85 Y HA 0.538 5.088 4.550 -0.000 0.000 0.247 85 Y C 0.601 176.644 175.900 0.238 0.000 1.151 85 Y CA -0.576 57.632 58.100 0.181 0.000 1.238 85 Y CB -0.194 38.412 38.460 0.242 0.000 1.179 85 Y HN 0.615 nan 8.280 nan 0.000 0.524 86 R N 1.078 121.622 120.500 0.073 0.000 2.604 86 R HA 0.471 4.811 4.340 -0.000 0.000 0.261 86 R C -2.242 174.181 176.300 0.204 0.000 1.080 86 R CA -0.639 55.534 56.100 0.121 0.000 0.917 86 R CB 1.827 32.058 30.300 -0.114 0.000 1.252 86 R HN 0.117 nan 8.270 nan 0.000 0.456 87 I N 2.634 123.305 120.570 0.169 0.000 2.498 87 I HA 0.404 4.574 4.170 -0.000 0.000 0.290 87 I C -0.076 176.138 176.117 0.162 0.000 1.032 87 I CA -0.495 60.865 61.300 0.100 0.000 1.073 87 I CB 1.979 39.926 38.000 -0.088 0.000 1.251 87 I HN 0.662 nan 8.210 nan 0.000 0.426 88 E N 5.098 125.437 120.200 0.232 0.000 2.316 88 E HA 0.586 4.936 4.350 -0.000 0.000 0.258 88 E C -0.568 176.206 176.600 0.290 0.000 0.952 88 E CA -0.953 55.580 56.400 0.222 0.000 0.818 88 E CB 2.430 32.271 29.700 0.236 0.000 1.260 88 E HN 0.390 nan 8.360 nan 0.000 0.416 89 R N 0.044 120.675 120.500 0.219 0.000 2.599 89 R HA 0.369 4.709 4.340 -0.000 0.000 0.295 89 R C -1.100 175.220 176.300 0.034 0.000 0.963 89 R CA -0.743 55.445 56.100 0.145 0.000 0.883 89 R CB 0.572 30.945 30.300 0.122 0.000 1.171 89 R HN 0.201 nan 8.270 nan 0.000 0.450 90 V N 3.376 123.261 119.914 -0.048 0.000 2.370 90 V HA 0.077 4.197 4.120 -0.000 0.000 0.257 90 V C 0.456 176.525 176.094 -0.042 0.000 1.064 90 V CA -0.682 61.605 62.300 -0.021 0.000 0.975 90 V CB 0.876 32.683 31.823 -0.028 0.000 1.067 90 V HN 0.475 nan 8.190 nan 0.000 0.485 91 V N 5.941 125.846 119.914 -0.015 0.000 2.381 91 V HA 0.623 4.743 4.120 -0.000 0.000 0.257 91 V C 1.161 177.244 176.094 -0.018 0.000 1.057 91 V CA 1.257 63.545 62.300 -0.019 0.000 1.013 91 V CB -0.161 31.659 31.823 -0.005 0.000 1.069 91 V HN 1.107 nan 8.190 nan 0.000 0.484 92 G N 4.740 113.522 108.800 -0.028 0.000 4.444 92 G HA2 -0.024 3.936 3.960 -0.000 0.000 0.158 92 G HA3 -0.024 3.936 3.960 -0.000 0.000 0.158 92 G C -0.045 174.834 174.900 -0.035 0.000 1.789 92 G CA -0.514 44.573 45.100 -0.022 0.000 0.886 92 G HN 0.539 nan 8.290 nan 0.000 0.284 93 E N 1.375 121.546 120.200 -0.049 0.000 2.342 93 E HA 0.597 4.947 4.350 -0.000 0.000 0.257 93 E C 1.140 177.684 176.600 -0.094 0.000 1.150 93 E CA -0.335 56.030 56.400 -0.059 0.000 0.926 93 E CB 1.207 30.875 29.700 -0.053 0.000 1.074 93 E HN 0.333 nan 8.360 nan 0.000 0.449 94 K N 0.633 120.986 120.400 -0.077 0.000 1.975 94 K HA -0.180 4.140 4.320 -0.000 0.000 0.230 94 K C 0.302 176.818 176.600 -0.140 0.000 1.044 94 K CA 2.069 58.308 56.287 -0.081 0.000 1.022 94 K CB -0.073 32.397 32.500 -0.049 0.000 0.739 94 K HN 0.504 nan 8.250 nan 0.000 0.446 95 D N 0.303 120.610 120.400 -0.156 0.000 2.538 95 D HA 0.043 4.683 4.640 -0.000 0.000 0.231 95 D C -0.255 175.802 176.300 -0.404 0.000 1.229 95 D CA 0.074 53.947 54.000 -0.211 0.000 0.828 95 D CB 0.636 41.414 40.800 -0.036 0.000 1.035 95 D HN 0.272 nan 8.370 nan 0.000 0.495 96 Q N 0.611 120.172 119.800 -0.399 0.000 2.286 96 Q HA 0.312 4.652 4.340 -0.000 0.000 0.257 96 Q C -1.008 174.652 176.000 -0.568 0.000 0.941 96 Q CA 0.183 55.795 55.803 -0.319 0.000 0.912 96 Q CB 1.044 29.694 28.738 -0.148 0.000 1.192 96 Q HN 0.148 nan 8.270 nan 0.000 0.410 97 Y N 0.734 121.032 120.300 -0.005 0.000 2.605 97 Y HA 0.435 4.985 4.550 -0.000 0.000 0.343 97 Y C -0.162 175.733 175.900 -0.009 0.000 1.036 97 Y CA -1.085 57.014 58.100 -0.002 0.000 1.065 97 Y CB 1.383 39.831 38.460 -0.020 0.000 1.288 97 Y HN 0.417 nan 8.280 nan 0.000 0.481 98 I N 2.439 123.123 120.570 0.189 0.000 2.371 98 I HA 0.429 4.599 4.170 -0.000 0.000 0.282 98 I C -0.178 175.928 176.117 -0.017 0.000 1.031 98 I CA -0.549 60.776 61.300 0.040 0.000 1.180 98 I CB 0.452 38.502 38.000 0.082 0.000 1.336 98 I HN 0.675 nan 8.210 nan 0.000 0.467 99 A N 6.983 129.763 122.820 -0.067 0.000 2.310 99 A HA 0.609 4.929 4.320 -0.000 0.000 0.299 99 A C -1.270 176.182 177.584 -0.221 0.000 1.147 99 A CA -0.222 51.779 52.037 -0.059 0.000 0.818 99 A CB 0.353 19.328 19.000 -0.042 0.000 1.096 99 A HN 0.526 nan 8.150 nan 0.000 0.495 100 Y N 1.570 121.793 120.300 -0.128 0.000 2.342 100 Y HA 0.461 5.011 4.550 -0.000 0.000 0.338 100 Y C 0.080 175.796 175.900 -0.306 0.000 0.965 100 Y CA -0.367 57.578 58.100 -0.259 0.000 1.159 100 Y CB 1.679 39.694 38.460 -0.740 0.000 1.157 100 Y HN 0.391 nan 8.280 nan 0.000 0.486 101 V N 3.112 123.090 119.914 0.107 0.000 2.581 101 V HA 0.829 4.949 4.120 -0.000 0.000 0.303 101 V C -0.234 175.955 176.094 0.159 0.000 1.041 101 V CA -0.983 61.370 62.300 0.089 0.000 0.907 101 V CB 1.726 33.563 31.823 0.024 0.000 0.994 101 V HN 0.807 nan 8.190 nan 0.000 0.442 102 A N 4.051 126.920 122.820 0.082 0.000 2.318 102 A HA 0.848 5.168 4.320 -0.000 0.000 0.317 102 A C -1.478 175.979 177.584 -0.212 0.000 1.159 102 A CA -0.381 51.697 52.037 0.068 0.000 0.799 102 A CB 0.588 19.658 19.000 0.118 0.000 1.194 102 A HN 0.721 nan 8.150 nan 0.000 0.479 103 Y N 2.040 122.446 120.300 0.176 0.000 2.376 103 Y HA 0.468 5.018 4.550 -0.000 0.000 0.340 103 Y C -2.365 173.663 175.900 0.214 0.000 0.965 103 Y CA -2.600 55.620 58.100 0.201 0.000 1.078 103 Y CB 1.597 40.270 38.460 0.356 0.000 1.193 103 Y HN 0.486 nan 8.280 nan 0.000 0.452 104 P HA -0.075 nan 4.420 nan 0.000 0.265 104 P C 0.661 178.124 177.300 0.271 0.000 1.187 104 P CA 0.017 63.236 63.100 0.198 0.000 0.766 104 P CB 0.813 32.584 31.700 0.118 0.000 0.820 105 L N 2.867 124.235 121.223 0.242 0.000 2.450 105 L HA -0.109 4.231 4.340 -0.000 0.000 0.224 105 L C 1.018 178.036 176.870 0.245 0.000 1.149 105 L CA 1.920 56.932 54.840 0.288 0.000 0.816 105 L CB -0.717 41.454 42.059 0.187 0.000 0.932 105 L HN 0.201 nan 8.230 nan 0.000 0.449 106 D N -1.017 119.488 120.400 0.174 0.000 2.349 106 D HA 0.020 4.660 4.640 -0.000 0.000 0.224 106 D C 1.948 178.270 176.300 0.038 0.000 1.029 106 D CA 0.586 54.690 54.000 0.174 0.000 0.879 106 D CB 0.135 41.137 40.800 0.337 0.000 0.906 106 D HN 0.397 nan 8.370 nan 0.000 0.528 107 L N -0.899 120.203 121.223 -0.201 0.000 2.375 107 L HA 0.118 4.458 4.340 -0.000 0.000 0.215 107 L C 0.122 176.623 176.870 -0.614 0.000 1.108 107 L CA 0.350 54.871 54.840 -0.531 0.000 0.830 107 L CB -0.025 41.465 42.059 -0.948 0.000 0.959 107 L HN -0.110 nan 8.230 nan 0.000 0.457 108 F N 0.484 120.433 119.950 -0.001 0.000 2.420 108 F HA 0.280 4.807 4.527 -0.000 0.000 0.342 108 F C 0.666 176.556 175.800 0.151 0.000 1.113 108 F CA -1.174 56.833 58.000 0.012 0.000 1.059 108 F CB 0.752 39.587 39.000 -0.274 0.000 1.128 108 F HN -0.136 nan 8.300 nan 0.000 0.475 109 E N 2.665 123.064 120.200 0.333 0.000 2.180 109 E HA 0.131 4.481 4.350 -0.000 0.000 0.283 109 E C -0.629 176.149 176.600 0.296 0.000 1.061 109 E CA -0.600 55.941 56.400 0.234 0.000 0.861 109 E CB 0.460 30.243 29.700 0.139 0.000 1.056 109 E HN 0.518 nan 8.360 nan 0.000 0.407 110 E N 2.627 122.939 120.200 0.186 0.000 2.568 110 E HA 0.069 4.419 4.350 -0.000 0.000 0.262 110 E C 1.073 177.443 176.600 -0.382 0.000 0.961 110 E CA 1.407 57.776 56.400 -0.052 0.000 0.945 110 E CB 0.320 29.987 29.700 -0.056 0.000 0.924 110 E HN 0.819 nan 8.360 nan 0.000 0.467 111 G N 2.552 110.705 108.800 -1.078 0.000 2.186 111 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.266 111 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.266 111 G C 0.418 174.916 174.900 -0.670 0.000 0.982 111 G CA 0.656 44.943 45.100 -1.355 0.000 0.670 111 G HN 0.543 nan 8.290 nan 0.000 0.533 112 S N -0.360 115.231 115.700 -0.182 0.000 2.426 112 S HA 0.516 4.986 4.470 -0.000 0.000 0.236 112 S C 1.621 176.353 174.600 0.220 0.000 1.368 112 S CA 0.133 58.372 58.200 0.065 0.000 1.154 112 S CB 0.961 64.212 63.200 0.085 0.000 1.037 112 S HN 0.516 nan 8.310 nan 0.000 0.481 113 V N 4.481 124.521 119.914 0.210 0.000 2.324 113 V HA -0.200 3.920 4.120 -0.000 0.000 0.250 113 V C 2.593 178.593 176.094 -0.155 0.000 1.060 113 V CA 2.684 64.933 62.300 -0.084 0.000 1.042 113 V CB -1.221 30.318 31.823 -0.474 0.000 0.650 113 V HN 0.841 nan 8.190 nan 0.000 0.450 114 T N 0.078 114.616 114.554 -0.027 0.000 2.653 114 T HA -0.333 4.017 4.350 -0.000 0.000 0.267 114 T C 1.834 176.622 174.700 0.146 0.000 1.037 114 T CA 2.194 64.352 62.100 0.096 0.000 1.159 114 T CB -0.528 68.414 68.868 0.123 0.000 0.859 114 T HN 0.602 nan 8.240 nan 0.000 0.449 115 N N 0.093 118.894 118.700 0.168 0.000 2.376 115 N HA 0.028 4.768 4.740 -0.000 0.000 0.177 115 N C 1.980 177.665 175.510 0.292 0.000 1.024 115 N CA 0.496 53.667 53.050 0.202 0.000 0.893 115 N CB -0.142 38.462 38.487 0.196 0.000 0.980 115 N HN 0.443 nan 8.380 nan 0.000 0.439 116 M N -0.046 119.748 119.600 0.324 0.000 2.066 116 M HA -0.177 4.303 4.480 -0.000 0.000 0.259 116 M C 1.493 177.968 176.300 0.292 0.000 1.074 116 M CA 1.666 57.142 55.300 0.294 0.000 1.114 116 M CB -0.248 32.467 32.600 0.192 0.000 1.306 116 M HN -0.043 nan 8.290 nan 0.000 0.411 117 F N 0.680 120.625 119.950 -0.009 0.000 2.120 117 F HA -0.216 4.311 4.527 -0.000 0.000 0.300 117 F C 2.625 178.455 175.800 0.049 0.000 1.095 117 F CA 1.913 59.914 58.000 0.002 0.000 1.249 117 F CB -1.536 37.461 39.000 -0.005 0.000 0.995 117 F HN 0.235 nan 8.300 nan 0.000 0.480 118 T N -1.052 113.648 114.554 0.243 0.000 2.746 118 T HA -0.158 4.192 4.350 -0.000 0.000 0.267 118 T C 2.327 177.090 174.700 0.105 0.000 1.039 118 T CA 1.743 63.933 62.100 0.151 0.000 1.142 118 T CB -0.404 68.538 68.868 0.124 0.000 0.866 118 T HN 0.161 nan 8.240 nan 0.000 0.444 119 S N 0.626 116.388 115.700 0.104 0.000 2.368 119 S HA 0.079 4.549 4.470 -0.000 0.000 0.224 119 S C 1.992 176.599 174.600 0.012 0.000 1.029 119 S CA 0.806 59.026 58.200 0.034 0.000 0.988 119 S CB -0.231 62.958 63.200 -0.018 0.000 0.838 119 S HN 0.384 nan 8.310 nan 0.000 0.462 120 I N 1.018 121.588 120.570 0.001 0.000 2.364 120 I HA -0.025 4.145 4.170 -0.000 0.000 0.241 120 I C 1.568 177.788 176.117 0.173 0.000 1.082 120 I CA 0.773 62.069 61.300 -0.007 0.000 1.401 120 I CB -0.094 37.817 38.000 -0.148 0.000 1.126 120 I HN 0.181 nan 8.210 nan 0.000 0.429 121 V N -1.406 118.561 119.914 0.090 0.000 3.252 121 V HA 0.385 4.505 4.120 -0.000 0.000 0.350 121 V C 1.354 177.508 176.094 0.101 0.000 1.329 121 V CA 0.481 62.875 62.300 0.157 0.000 1.258 121 V CB -0.705 31.020 31.823 -0.164 0.000 1.208 121 V HN 0.339 nan 8.190 nan 0.000 0.462 122 G N 1.233 110.102 108.800 0.114 0.000 2.545 122 G HA2 0.048 4.008 3.960 -0.000 0.000 0.212 122 G HA3 0.048 4.008 3.960 -0.000 0.000 0.212 122 G C 1.020 175.980 174.900 0.100 0.000 1.144 122 G CA 0.711 45.865 45.100 0.089 0.000 0.813 122 G HN 0.602 nan 8.290 nan 0.000 0.531 123 N N -1.115 117.654 118.700 0.115 0.000 2.200 123 N HA 0.039 4.779 4.740 -0.000 0.000 0.233 123 N C 1.938 177.522 175.510 0.123 0.000 1.236 123 N CA 0.509 53.621 53.050 0.104 0.000 0.845 123 N CB 0.721 39.238 38.487 0.050 0.000 1.257 123 N HN 0.092 nan 8.380 nan 0.000 0.472 124 V N -0.689 119.277 119.914 0.087 0.000 2.380 124 V HA -0.180 3.940 4.120 -0.000 0.000 0.251 124 V C 1.394 177.538 176.094 0.083 0.000 1.063 124 V CA 1.537 63.826 62.300 -0.018 0.000 1.055 124 V CB -1.074 30.606 31.823 -0.238 0.000 0.657 124 V HN 0.079 nan 8.190 nan 0.000 0.455 125 F N 2.349 122.309 119.950 0.016 0.000 2.722 125 F HA 0.297 4.824 4.527 -0.000 0.000 0.298 125 F C 2.094 177.994 175.800 0.167 0.000 1.175 125 F CA 0.955 58.982 58.000 0.045 0.000 1.462 125 F CB -0.735 38.266 39.000 0.002 0.000 1.111 125 F HN 0.346 nan 8.300 nan 0.000 0.592 126 G N -1.718 107.261 108.800 0.299 0.000 3.377 126 G HA2 0.026 3.986 3.960 -0.000 0.000 0.257 126 G HA3 0.026 3.986 3.960 -0.000 0.000 0.257 126 G C -0.076 174.936 174.900 0.187 0.000 1.038 126 G CA -0.167 45.066 45.100 0.223 0.000 0.809 126 G HN 0.122 nan 8.290 nan 0.000 0.526 127 F N 2.830 122.796 119.950 0.026 0.000 2.541 127 F HA 0.286 4.813 4.527 -0.000 0.000 0.378 127 F C 1.697 177.489 175.800 -0.013 0.000 1.068 127 F CA -1.461 56.528 58.000 -0.018 0.000 1.199 127 F CB 1.292 40.251 39.000 -0.068 0.000 1.091 127 F HN 0.127 nan 8.300 nan 0.000 0.555 128 K N 4.248 124.340 120.400 -0.513 0.000 2.283 128 K HA 0.005 4.325 4.320 -0.000 0.000 0.202 128 K C 1.404 177.675 176.600 -0.549 0.000 1.048 128 K CA 1.497 57.528 56.287 -0.426 0.000 0.948 128 K CB -0.779 31.541 32.500 -0.300 0.000 0.742 128 K HN 0.463 nan 8.250 nan 0.000 0.458 129 A N 0.925 123.096 122.820 -1.082 0.000 2.238 129 A HA 0.261 4.581 4.320 -0.000 0.000 0.208 129 A C 0.387 177.805 177.584 -0.277 0.000 1.177 129 A CA 0.030 51.685 52.037 -0.636 0.000 0.804 129 A CB -0.360 18.248 19.000 -0.653 0.000 0.823 129 A HN 0.235 nan 8.150 nan 0.000 0.482 130 L N -2.142 118.961 121.223 -0.201 0.000 2.313 130 L HA 0.508 4.848 4.340 -0.000 0.000 0.268 130 L C 1.130 177.982 176.870 -0.029 0.000 1.010 130 L CA -0.846 53.977 54.840 -0.029 0.000 0.814 130 L CB 1.391 43.478 42.059 0.047 0.000 1.304 130 L HN 0.130 nan 8.230 nan 0.000 0.441 131 R N 0.453 120.960 120.500 0.012 0.000 2.142 131 R HA 0.469 4.809 4.340 -0.000 0.000 0.204 131 R C -0.020 176.340 176.300 0.099 0.000 1.059 131 R CA 0.443 56.561 56.100 0.029 0.000 1.055 131 R CB 0.623 30.936 30.300 0.022 0.000 0.976 131 R HN 0.709 nan 8.270 nan 0.000 0.483 132 A N 0.800 123.696 122.820 0.126 0.000 2.606 132 A HA 0.679 4.999 4.320 -0.000 0.000 0.293 132 A C -2.023 175.606 177.584 0.076 0.000 1.082 132 A CA -0.560 51.642 52.037 0.274 0.000 0.685 132 A CB 1.898 21.034 19.000 0.227 0.000 1.284 132 A HN 0.046 nan 8.150 nan 0.000 0.408 133 L N 0.339 121.505 121.223 -0.095 0.000 2.513 133 L HA 0.769 5.109 4.340 -0.000 0.000 0.261 133 L C -0.732 175.959 176.870 -0.298 0.000 0.945 133 L CA -0.105 54.533 54.840 -0.337 0.000 0.848 133 L CB 2.001 43.632 42.059 -0.714 0.000 1.334 133 L HN 0.880 nan 8.230 nan 0.000 0.407 134 R N 3.568 124.020 120.500 -0.080 0.000 2.686 134 R HA 0.680 5.020 4.340 -0.000 0.000 0.286 134 R C -1.797 174.582 176.300 0.132 0.000 0.969 134 R CA -0.910 55.266 56.100 0.125 0.000 0.898 134 R CB 1.788 32.156 30.300 0.113 0.000 1.183 134 R HN 0.676 nan 8.270 nan 0.000 0.456 135 L N 4.000 125.339 121.223 0.194 0.000 2.260 135 L HA 0.260 4.600 4.340 -0.000 0.000 0.289 135 L C 0.577 177.386 176.870 -0.102 0.000 1.057 135 L CA 0.459 55.261 54.840 -0.064 0.000 0.811 135 L CB 1.257 43.286 42.059 -0.049 0.000 1.184 135 L HN 0.743 nan 8.230 nan 0.000 0.429 136 E N 2.100 122.141 120.200 -0.266 0.000 2.166 136 E HA 0.123 4.473 4.350 -0.000 0.000 0.192 136 E C -0.277 176.167 176.600 -0.260 0.000 0.967 136 E CA 0.487 56.705 56.400 -0.302 0.000 0.840 136 E CB 0.477 29.755 29.700 -0.703 0.000 0.795 136 E HN 0.643 nan 8.360 nan 0.000 0.470 137 D N -1.039 119.211 120.400 -0.249 0.000 2.609 137 D HA 0.441 5.081 4.640 -0.000 0.000 0.239 137 D C -1.408 174.934 176.300 0.070 0.000 1.229 137 D CA -0.476 53.537 54.000 0.022 0.000 0.808 137 D CB 1.633 42.581 40.800 0.247 0.000 1.448 137 D HN -0.157 nan 8.370 nan 0.000 0.433 138 L N 1.137 122.372 121.223 0.020 0.000 2.401 138 L HA 0.558 4.898 4.340 -0.000 0.000 0.266 138 L C -0.233 176.443 176.870 -0.322 0.000 0.991 138 L CA -0.844 53.882 54.840 -0.190 0.000 0.818 138 L CB 2.464 44.415 42.059 -0.179 0.000 1.321 138 L HN 0.174 nan 8.230 nan 0.000 0.413 139 R N 2.980 123.088 120.500 -0.653 0.000 2.343 139 R HA 0.583 4.923 4.340 -0.000 0.000 0.320 139 R C -1.391 174.676 176.300 -0.389 0.000 0.956 139 R CA -0.620 55.140 56.100 -0.567 0.000 0.836 139 R CB 1.142 30.976 30.300 -0.777 0.000 1.151 139 R HN 0.549 nan 8.270 nan 0.000 0.450 140 I N 7.631 127.994 120.570 -0.347 0.000 2.307 140 I HA 0.278 4.448 4.170 -0.000 0.000 0.289 140 I C -1.810 174.185 176.117 -0.203 0.000 1.021 140 I CA -2.241 58.902 61.300 -0.261 0.000 1.224 140 I CB 1.801 39.653 38.000 -0.246 0.000 1.376 140 I HN 0.413 nan 8.210 nan 0.000 0.470 141 P HA 0.125 nan 4.420 nan 0.000 0.269 141 P C -2.371 174.936 177.300 0.012 0.000 1.209 141 P CA -1.323 61.749 63.100 -0.046 0.000 0.776 141 P CB 0.600 32.291 31.700 -0.014 0.000 0.876 142 P HA -0.183 nan 4.420 nan 0.000 0.216 142 P C 1.447 178.806 177.300 0.099 0.000 1.150 142 P CA 2.224 65.358 63.100 0.057 0.000 0.843 142 P CB -0.371 31.361 31.700 0.053 0.000 0.787 143 A N -2.761 120.125 122.820 0.111 0.000 2.216 143 A HA -0.170 4.150 4.320 -0.000 0.000 0.214 143 A C 1.890 179.612 177.584 0.231 0.000 1.160 143 A CA 1.101 53.222 52.037 0.140 0.000 0.725 143 A CB -1.324 17.749 19.000 0.122 0.000 0.784 143 A HN 0.198 nan 8.150 nan 0.000 0.472 144 Y N -1.079 119.274 120.300 0.088 0.000 2.558 144 Y HA 0.096 4.646 4.550 -0.000 0.000 0.273 144 Y C 2.120 178.171 175.900 0.252 0.000 1.100 144 Y CA 0.677 58.871 58.100 0.157 0.000 1.276 144 Y CB 0.212 38.725 38.460 0.090 0.000 1.196 144 Y HN 0.023 nan 8.280 nan 0.000 0.527 145 V N 0.985 121.009 119.914 0.183 0.000 2.324 145 V HA -0.323 3.797 4.120 -0.000 0.000 0.250 145 V C 2.148 178.358 176.094 0.195 0.000 1.060 145 V CA 2.049 64.433 62.300 0.139 0.000 1.042 145 V CB -0.510 31.389 31.823 0.126 0.000 0.650 145 V HN 0.239 nan 8.190 nan 0.000 0.450 146 K N 0.566 121.055 120.400 0.147 0.000 2.442 146 K HA -0.080 4.240 4.320 -0.000 0.000 0.198 146 K C 2.045 178.682 176.600 0.061 0.000 1.042 146 K CA 1.516 57.867 56.287 0.105 0.000 0.958 146 K CB -0.715 31.834 32.500 0.081 0.000 0.766 146 K HN 0.756 nan 8.250 nan 0.000 0.474 147 T N -1.887 112.684 114.554 0.028 0.000 3.148 147 T HA 0.094 4.444 4.350 -0.000 0.000 0.253 147 T C 0.372 174.912 174.700 -0.266 0.000 1.134 147 T CA -0.079 61.933 62.100 -0.148 0.000 1.051 147 T CB -0.255 68.445 68.868 -0.281 0.000 0.959 147 T HN -0.172 nan 8.240 nan 0.000 0.525 148 F N 0.810 120.688 119.950 -0.120 0.000 2.522 148 F HA 0.506 5.033 4.527 0.000 0.000 0.324 148 F C 1.330 177.111 175.800 -0.032 0.000 1.077 148 F CA -1.460 56.489 58.000 -0.085 0.000 0.944 148 F CB 2.144 41.078 39.000 -0.109 0.000 1.175 148 F HN -0.141 nan 8.300 nan 0.000 0.468 149 Q N 2.067 121.976 119.800 0.182 0.000 2.062 149 Q HA 0.251 4.591 4.340 -0.000 0.000 0.196 149 Q C 1.079 177.127 176.000 0.080 0.000 0.967 149 Q CA 1.307 57.173 55.803 0.105 0.000 0.832 149 Q CB -0.048 28.767 28.738 0.128 0.000 0.899 149 Q HN 1.016 nan 8.270 nan 0.000 0.442 150 G N 0.344 109.197 108.800 0.089 0.000 2.584 150 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.229 150 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.229 150 G C -2.476 172.401 174.900 -0.039 0.000 1.320 150 G CA -0.412 44.683 45.100 -0.009 0.000 0.891 150 G HN 0.336 nan 8.290 nan 0.000 0.573 151 P HA 0.135 nan 4.420 nan 0.000 0.261 151 P C -1.455 175.791 177.300 -0.090 0.000 1.173 151 P CA -0.027 63.023 63.100 -0.083 0.000 0.760 151 P CB 0.539 32.188 31.700 -0.086 0.000 0.783 152 P HA -0.141 nan 4.420 nan 0.000 0.225 152 P C 0.268 177.231 177.300 -0.562 0.000 1.148 152 P CA 1.827 64.767 63.100 -0.267 0.000 0.779 152 P CB 0.223 31.820 31.700 -0.172 0.000 0.780 153 H N -2.688 116.375 119.070 -0.011 0.000 1.829 153 H HA 0.353 4.909 4.556 -0.000 0.000 0.154 153 H C 0.866 176.191 175.328 -0.004 0.000 0.995 153 H CA 0.591 56.638 56.048 -0.002 0.000 0.966 153 H CB 0.062 29.827 29.762 0.006 0.000 0.844 153 H HN 0.169 nan 8.280 nan 0.000 0.340 154 G N 0.899 109.758 108.800 0.098 0.000 2.730 154 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.686 154 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.686 154 G C 0.732 175.667 174.900 0.058 0.000 1.343 154 G CA -0.154 44.970 45.100 0.039 0.000 0.826 154 G HN 0.253 nan 8.290 nan 0.000 0.582 155 I N 0.184 120.772 120.570 0.029 0.000 2.113 155 I HA -0.320 3.850 4.170 -0.000 0.000 0.242 155 I C 2.979 179.129 176.117 0.054 0.000 1.064 155 I CA 2.481 63.800 61.300 0.032 0.000 1.320 155 I CB -0.361 37.648 38.000 0.016 0.000 1.028 155 I HN 0.611 nan 8.210 nan 0.000 0.406 156 Q N 0.224 120.062 119.800 0.064 0.000 2.084 156 Q HA -0.121 4.219 4.340 -0.000 0.000 0.202 156 Q C 2.305 178.362 176.000 0.096 0.000 0.978 156 Q CA 1.457 57.314 55.803 0.089 0.000 0.844 156 Q CB -0.609 28.177 28.738 0.080 0.000 0.898 156 Q HN 0.394 nan 8.270 nan 0.000 0.426 157 V N 0.527 120.494 119.914 0.089 0.000 2.323 157 V HA -0.240 3.880 4.120 -0.000 0.000 0.244 157 V C 2.216 178.343 176.094 0.056 0.000 1.041 157 V CA 1.979 64.334 62.300 0.091 0.000 1.025 157 V CB -0.601 31.305 31.823 0.137 0.000 0.656 157 V HN 0.458 nan 8.190 nan 0.000 0.451 158 E N 0.460 120.694 120.200 0.058 0.000 2.058 158 E HA -0.271 4.079 4.350 -0.000 0.000 0.194 158 E C 2.435 179.035 176.600 -0.000 0.000 0.997 158 E CA 1.566 57.987 56.400 0.036 0.000 0.801 158 E CB -0.127 29.623 29.700 0.083 0.000 0.746 158 E HN 0.474 nan 8.360 nan 0.000 0.450 159 R N 0.283 120.770 120.500 -0.022 0.000 2.105 159 R HA -0.140 4.200 4.340 -0.000 0.000 0.239 159 R C 1.915 178.031 176.300 -0.307 0.000 1.135 159 R CA 1.480 57.476 56.100 -0.173 0.000 0.967 159 R CB -0.200 30.037 30.300 -0.106 0.000 0.861 159 R HN 0.308 nan 8.270 nan 0.000 0.442 160 D N 0.402 120.775 120.400 -0.044 0.000 2.084 160 D HA -0.101 4.539 4.640 -0.000 0.000 0.196 160 D C 1.884 178.191 176.300 0.011 0.000 0.985 160 D CA 1.003 55.045 54.000 0.069 0.000 0.826 160 D CB -0.016 40.864 40.800 0.133 0.000 0.978 160 D HN -0.052 nan 8.370 nan 0.000 0.456 161 K N 0.450 120.844 120.400 -0.010 0.000 2.044 161 K HA -0.085 4.235 4.320 -0.000 0.000 0.210 161 K C 2.269 178.848 176.600 -0.035 0.000 1.049 161 K CA 0.698 56.970 56.287 -0.025 0.000 0.927 161 K CB -0.602 31.861 32.500 -0.062 0.000 0.713 161 K HN 0.261 nan 8.250 nan 0.000 0.443 162 L N 0.037 121.223 121.223 -0.062 0.000 2.418 162 L HA -0.004 4.336 4.340 -0.000 0.000 0.218 162 L C 0.303 177.093 176.870 -0.134 0.000 1.125 162 L CA 0.048 54.843 54.840 -0.075 0.000 0.835 162 L CB -0.338 41.695 42.059 -0.042 0.000 0.953 162 L HN 0.278 nan 8.230 nan 0.000 0.454 163 N N 0.848 119.411 118.700 -0.229 0.000 2.776 163 N HA -0.180 4.560 4.740 -0.000 0.000 0.249 163 N C -0.502 174.792 175.510 -0.360 0.000 1.111 163 N CA 0.770 53.669 53.050 -0.252 0.000 0.711 163 N CB -0.804 37.665 38.487 -0.031 0.000 1.065 163 N HN 0.287 nan 8.380 nan 0.000 0.556 164 K N 1.091 121.127 120.400 -0.606 0.000 2.425 164 K HA 0.405 4.725 4.320 -0.000 0.000 0.259 164 K C -1.219 175.101 176.600 -0.466 0.000 0.978 164 K CA -0.421 55.661 56.287 -0.341 0.000 0.883 164 K CB 1.022 33.412 32.500 -0.185 0.000 1.110 164 K HN 0.114 nan 8.250 nan 0.000 0.436 165 Y N -0.336 119.980 120.300 0.027 0.000 2.433 165 Y HA 0.368 4.918 4.550 -0.000 0.000 0.337 165 Y C 0.682 176.599 175.900 0.029 0.000 1.026 165 Y CA -0.978 57.140 58.100 0.029 0.000 1.037 165 Y CB 2.564 41.039 38.460 0.025 0.000 1.245 165 Y HN 0.793 nan 8.280 nan 0.000 0.443 166 G N 2.810 111.719 108.800 0.183 0.000 2.248 166 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.252 166 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.252 166 G C -0.487 174.467 174.900 0.089 0.000 1.085 166 G CA 0.073 45.245 45.100 0.119 0.000 0.845 166 G HN 1.033 nan 8.290 nan 0.000 0.494 167 R N -2.197 118.351 120.500 0.079 0.000 3.466 167 R HA 0.429 4.769 4.340 -0.000 0.000 0.262 167 R C -3.508 172.828 176.300 0.061 0.000 0.997 167 R CA -1.354 54.787 56.100 0.068 0.000 0.978 167 R CB -0.140 30.198 30.300 0.062 0.000 1.256 167 R HN 0.045 nan 8.270 nan 0.000 0.536 168 P HA 0.125 nan 4.420 nan 0.000 0.269 168 P C -0.570 176.763 177.300 0.054 0.000 1.215 168 P CA -0.330 62.797 63.100 0.046 0.000 0.780 168 P CB 0.512 32.241 31.700 0.049 0.000 0.898 169 L N 1.991 123.248 121.223 0.055 0.000 2.350 169 L HA 0.334 4.674 4.340 -0.000 0.000 0.275 169 L C 0.171 177.124 176.870 0.139 0.000 1.099 169 L CA -0.490 54.420 54.840 0.117 0.000 0.808 169 L CB 0.152 42.347 42.059 0.227 0.000 1.149 169 L HN 0.144 nan 8.230 nan 0.000 0.442 170 L N 2.447 123.766 121.223 0.161 0.000 2.282 170 L HA 0.582 4.922 4.340 -0.000 0.000 0.288 170 L C 0.541 177.554 176.870 0.239 0.000 1.033 170 L CA -0.358 54.605 54.840 0.204 0.000 0.807 170 L CB 1.368 43.539 42.059 0.186 0.000 1.209 170 L HN 0.675 nan 8.230 nan 0.000 0.423 171 G N 1.231 110.163 108.800 0.220 0.000 2.509 171 G HA2 0.566 4.526 3.960 -0.000 0.000 0.328 171 G HA3 0.566 4.526 3.960 -0.000 0.000 0.328 171 G C -1.486 173.481 174.900 0.111 0.000 1.194 171 G CA -0.402 44.806 45.100 0.180 0.000 0.967 171 G HN 0.692 nan 8.290 nan 0.000 0.488 172 c N -0.057 118.545 118.600 0.003 0.000 2.782 172 c HA 0.783 5.353 4.570 -0.000 0.000 0.328 172 c C 0.047 174.105 174.090 -0.055 0.000 1.145 172 c CA -0.397 55.936 56.329 0.008 0.000 1.358 172 c CB 0.750 43.249 42.510 -0.018 0.000 1.841 172 c HN 0.772 nan 8.230 nan 0.000 0.477 173 T N 6.211 120.750 114.554 -0.025 0.000 2.875 173 T HA 0.501 4.851 4.350 -0.000 0.000 0.284 173 T C -0.096 174.564 174.700 -0.066 0.000 0.995 173 T CA -0.265 61.818 62.100 -0.029 0.000 1.060 173 T CB 0.694 69.571 68.868 0.015 0.000 0.967 173 T HN 0.543 nan 8.240 nan 0.000 0.476 174 I N 3.338 123.843 120.570 -0.109 0.000 2.353 174 I HA 0.445 4.615 4.170 -0.000 0.000 0.293 174 I C 0.374 176.401 176.117 -0.150 0.000 0.992 174 I CA -0.373 60.783 61.300 -0.240 0.000 1.268 174 I CB 1.141 38.756 38.000 -0.643 0.000 1.387 174 I HN 0.519 nan 8.210 nan 0.000 0.478 175 K N 6.498 126.832 120.400 -0.109 0.000 2.435 175 K HA 0.568 4.888 4.320 -0.000 0.000 0.251 175 K C -2.257 174.324 176.600 -0.031 0.000 0.954 175 K CA -1.308 54.956 56.287 -0.038 0.000 0.820 175 K CB 2.343 34.835 32.500 -0.014 0.000 1.292 175 K HN 0.395 nan 8.250 nan 0.000 0.436 176 P HA 0.078 nan 4.420 nan 0.000 0.272 176 P C -0.378 176.953 177.300 0.051 0.000 1.254 176 P CA -0.170 62.937 63.100 0.010 0.000 0.795 176 P CB 0.822 32.514 31.700 -0.013 0.000 1.022 177 K N -0.704 119.724 120.400 0.046 0.000 1.991 177 K HA 0.022 4.342 4.320 -0.000 0.000 0.207 177 K C 1.182 177.859 176.600 0.129 0.000 1.045 177 K CA 1.023 57.364 56.287 0.090 0.000 0.937 177 K CB -0.311 32.225 32.500 0.059 0.000 0.720 177 K HN 0.319 nan 8.250 nan 0.000 0.438 178 L N -1.978 119.253 121.223 0.013 0.000 2.585 178 L HA 0.356 4.696 4.340 -0.000 0.000 0.260 178 L C 1.388 178.013 176.870 -0.408 0.000 1.085 178 L CA -0.052 54.710 54.840 -0.130 0.000 0.913 178 L CB 0.870 42.841 42.059 -0.148 0.000 1.638 178 L HN 0.506 nan 8.230 nan 0.000 0.531 179 G N -0.400 107.695 108.800 -1.175 0.000 2.498 179 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.229 179 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.229 179 G C -0.187 174.548 174.900 -0.275 0.000 1.156 179 G CA 0.065 44.742 45.100 -0.706 0.000 0.680 179 G HN 0.284 nan 8.290 nan 0.000 0.512 180 L N 2.482 123.711 121.223 0.010 0.000 2.452 180 L HA 0.652 4.992 4.340 -0.000 0.000 0.267 180 L C 1.364 178.431 176.870 0.329 0.000 1.188 180 L CA 0.325 55.281 54.840 0.193 0.000 0.821 180 L CB 1.262 43.480 42.059 0.265 0.000 1.102 180 L HN 0.821 nan 8.230 nan 0.000 0.470 181 S N 1.967 117.796 115.700 0.215 0.000 2.646 181 S HA 0.565 5.035 4.470 -0.000 0.000 0.276 181 S C 1.140 175.808 174.600 0.114 0.000 1.222 181 S CA -0.235 58.062 58.200 0.161 0.000 1.014 181 S CB 1.152 64.392 63.200 0.065 0.000 0.991 181 S HN 0.828 nan 8.310 nan 0.000 0.533 182 A N 1.704 124.548 122.820 0.041 0.000 1.903 182 A HA -0.171 4.149 4.320 -0.000 0.000 0.219 182 A C 2.128 179.614 177.584 -0.163 0.000 1.191 182 A CA 1.947 53.995 52.037 0.018 0.000 0.638 182 A CB -0.934 18.131 19.000 0.108 0.000 0.823 182 A HN 0.895 nan 8.150 nan 0.000 0.451 183 K N -0.975 119.150 120.400 -0.458 0.000 2.217 183 K HA -0.115 4.205 4.320 -0.000 0.000 0.202 183 K C 1.513 177.958 176.600 -0.258 0.000 1.051 183 K CA 1.085 56.925 56.287 -0.746 0.000 0.952 183 K CB -0.152 31.922 32.500 -0.711 0.000 0.736 183 K HN 0.419 nan 8.250 nan 0.000 0.453 184 N N 0.067 118.709 118.700 -0.097 0.000 2.207 184 N HA -0.134 4.606 4.740 -0.000 0.000 0.182 184 N C 1.569 177.126 175.510 0.079 0.000 1.020 184 N CA 0.891 53.943 53.050 0.003 0.000 0.858 184 N CB -0.393 38.116 38.487 0.037 0.000 0.991 184 N HN 0.187 nan 8.380 nan 0.000 0.427 185 Y N 1.316 121.609 120.300 -0.012 0.000 2.165 185 Y HA -0.145 4.405 4.550 0.000 0.000 0.286 185 Y C 2.356 178.260 175.900 0.007 0.000 1.155 185 Y CA 1.878 59.992 58.100 0.023 0.000 1.164 185 Y CB -0.559 37.932 38.460 0.052 0.000 0.978 185 Y HN 0.091 nan 8.280 nan 0.000 0.513 186 G N -0.681 108.229 108.800 0.183 0.000 2.443 186 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.219 186 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.219 186 G C 1.721 176.686 174.900 0.109 0.000 1.131 186 G CA 0.735 45.912 45.100 0.128 0.000 0.775 186 G HN 0.356 nan 8.290 nan 0.000 0.547 187 R N 0.520 121.063 120.500 0.072 0.000 2.075 187 R HA 0.094 4.434 4.340 -0.000 0.000 0.232 187 R C 2.805 179.154 176.300 0.082 0.000 1.126 187 R CA 1.434 57.593 56.100 0.099 0.000 0.963 187 R CB -0.436 29.893 30.300 0.048 0.000 0.858 187 R HN 0.221 nan 8.270 nan 0.000 0.435 188 A N 0.675 123.502 122.820 0.012 0.000 1.883 188 A HA -0.133 4.187 4.320 -0.000 0.000 0.217 188 A C 2.302 179.861 177.584 -0.043 0.000 1.186 188 A CA 1.843 53.851 52.037 -0.049 0.000 0.624 188 A CB -0.760 18.153 19.000 -0.145 0.000 0.822 188 A HN 0.235 nan 8.150 nan 0.000 0.444 189 V N -1.186 118.724 119.914 -0.006 0.000 2.255 189 V HA -0.302 3.818 4.120 -0.000 0.000 0.247 189 V C 2.411 178.538 176.094 0.054 0.000 1.051 189 V CA 2.270 64.593 62.300 0.038 0.000 1.018 189 V CB -1.136 30.731 31.823 0.073 0.000 0.641 189 V HN 0.729 nan 8.190 nan 0.000 0.445 190 Y N 1.325 121.621 120.300 -0.007 0.000 2.165 190 Y HA -0.228 4.322 4.550 0.000 0.000 0.286 190 Y C 2.555 178.448 175.900 -0.011 0.000 1.155 190 Y CA 1.924 60.022 58.100 -0.004 0.000 1.164 190 Y CB -0.350 38.116 38.460 0.010 0.000 0.978 190 Y HN 0.283 nan 8.280 nan 0.000 0.513 191 E N -0.407 119.597 120.200 -0.328 0.000 2.031 191 E HA -0.238 4.112 4.350 -0.000 0.000 0.193 191 E C 2.569 178.998 176.600 -0.285 0.000 0.994 191 E CA 1.302 57.465 56.400 -0.394 0.000 0.800 191 E CB -1.221 28.377 29.700 -0.171 0.000 0.752 191 E HN 0.546 nan 8.360 nan 0.000 0.447 192 c N 0.823 119.318 118.600 -0.175 0.000 2.440 192 c HA -0.157 4.413 4.570 -0.000 0.000 0.282 192 c C 2.946 176.949 174.090 -0.145 0.000 1.223 192 c CA 0.904 57.150 56.329 -0.139 0.000 1.744 192 c CB -1.240 41.210 42.510 -0.099 0.000 2.061 192 c HN 0.375 nan 8.230 nan 0.000 0.456 193 L N 1.192 122.343 121.223 -0.120 0.000 2.051 193 L HA -0.229 4.111 4.340 -0.000 0.000 0.214 193 L C 2.798 179.592 176.870 -0.128 0.000 1.076 193 L CA 2.421 57.200 54.840 -0.102 0.000 0.758 193 L CB -0.804 41.225 42.059 -0.050 0.000 0.890 193 L HN 0.532 nan 8.230 nan 0.000 0.433 194 R N 0.308 120.687 120.500 -0.202 0.000 2.237 194 R HA -0.042 4.298 4.340 -0.000 0.000 0.219 194 R C 2.034 178.254 176.300 -0.134 0.000 1.080 194 R CA 1.111 57.113 56.100 -0.164 0.000 0.995 194 R CB -0.905 29.236 30.300 -0.265 0.000 0.875 194 R HN 0.271 nan 8.270 nan 0.000 0.462 195 G N -0.233 108.475 108.800 -0.154 0.000 2.598 195 G HA2 0.145 4.105 3.960 -0.000 0.000 0.215 195 G HA3 0.145 4.105 3.960 -0.000 0.000 0.215 195 G C 1.022 175.858 174.900 -0.107 0.000 1.131 195 G CA 0.505 45.528 45.100 -0.129 0.000 0.785 195 G HN 0.607 nan 8.290 nan 0.000 0.539 196 G N -1.266 107.476 108.800 -0.096 0.000 2.421 196 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.188 196 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.188 196 G C 0.222 175.073 174.900 -0.081 0.000 1.001 196 G CA -0.192 44.860 45.100 -0.080 0.000 0.693 196 G HN 0.209 nan 8.290 nan 0.000 0.479 197 L N 1.783 122.954 121.223 -0.087 0.000 2.464 197 L HA 0.425 4.765 4.340 -0.000 0.000 0.264 197 L C 1.001 177.806 176.870 -0.109 0.000 1.199 197 L CA 0.293 55.097 54.840 -0.060 0.000 0.818 197 L CB 0.514 42.554 42.059 -0.030 0.000 1.102 197 L HN 0.072 nan 8.230 nan 0.000 0.473 198 D N 0.024 120.337 120.400 -0.145 0.000 2.389 198 D HA 0.142 4.782 4.640 -0.000 0.000 0.206 198 D C -0.232 175.674 176.300 -0.655 0.000 1.055 198 D CA 0.786 54.549 54.000 -0.396 0.000 0.856 198 D CB 0.574 41.075 40.800 -0.498 0.000 0.957 198 D HN 0.211 nan 8.370 nan 0.000 0.509 199 F N 0.103 120.029 119.950 -0.040 0.000 2.631 199 F HA 0.332 4.859 4.527 -0.000 0.000 0.308 199 F C 0.168 175.790 175.800 -0.297 0.000 1.097 199 F CA -1.009 56.908 58.000 -0.137 0.000 0.952 199 F CB 1.942 40.930 39.000 -0.020 0.000 1.307 199 F HN -0.375 nan 8.300 nan 0.000 0.450 200 T N -0.923 113.454 114.554 -0.294 0.000 2.906 200 T HA 0.622 4.972 4.350 -0.000 0.000 0.295 200 T C -1.330 172.901 174.700 -0.781 0.000 1.075 200 T CA -1.021 60.879 62.100 -0.332 0.000 1.005 200 T CB 2.497 71.343 68.868 -0.037 0.000 1.136 200 T HN 0.670 nan 8.240 nan 0.000 0.498 201 K N 1.235 121.292 120.400 -0.573 0.000 2.471 201 K HA 0.327 4.647 4.320 -0.000 0.000 0.252 201 K C -1.465 175.048 176.600 -0.145 0.000 0.938 201 K CA -0.553 55.375 56.287 -0.598 0.000 0.796 201 K CB 1.600 33.919 32.500 -0.303 0.000 1.161 201 K HN 0.596 nan 8.250 nan 0.000 0.425 202 D N 3.017 123.395 120.400 -0.037 0.000 2.450 202 D HA -0.014 4.626 4.640 -0.000 0.000 0.247 202 D C -0.381 176.046 176.300 0.212 0.000 1.162 202 D CA 0.508 54.688 54.000 0.299 0.000 0.879 202 D CB 0.783 41.730 40.800 0.244 0.000 1.163 202 D HN 0.510 nan 8.370 nan 0.000 0.472 203 D N 1.506 122.068 120.400 0.271 0.000 2.571 203 D HA -0.113 4.527 4.640 -0.000 0.000 0.231 203 D C 1.599 177.928 176.300 0.048 0.000 1.133 203 D CA 0.098 54.190 54.000 0.154 0.000 0.862 203 D CB 0.770 41.684 40.800 0.189 0.000 1.179 203 D HN 0.330 nan 8.370 nan 0.000 0.474 204 E N 2.665 122.793 120.200 -0.121 0.000 2.279 204 E HA -0.347 4.003 4.350 -0.000 0.000 0.205 204 E C 0.308 176.826 176.600 -0.137 0.000 1.028 204 E CA 1.671 57.890 56.400 -0.301 0.000 0.830 204 E CB -0.540 28.666 29.700 -0.822 0.000 0.736 204 E HN 0.679 nan 8.360 nan 0.000 0.478 205 N N 0.412 119.087 118.700 -0.043 0.000 2.200 205 N HA 0.084 4.824 4.740 -0.000 0.000 0.224 205 N C 0.078 175.634 175.510 0.076 0.000 1.179 205 N CA 0.295 53.350 53.050 0.009 0.000 0.877 205 N CB 0.824 39.320 38.487 0.015 0.000 1.072 205 N HN 0.120 nan 8.380 nan 0.000 0.519 206 V N -1.532 118.445 119.914 0.105 0.000 2.415 206 V HA 0.367 4.487 4.120 -0.000 0.000 0.267 206 V C 0.142 176.278 176.094 0.069 0.000 1.042 206 V CA -0.397 61.965 62.300 0.104 0.000 1.000 206 V CB -0.123 31.747 31.823 0.079 0.000 1.015 206 V HN 0.178 nan 8.190 nan 0.000 0.478 207 N N 3.192 121.915 118.700 0.038 0.000 2.528 207 N HA 0.275 5.015 4.740 -0.000 0.000 0.208 207 N C -0.056 175.482 175.510 0.046 0.000 1.218 207 N CA -0.106 52.970 53.050 0.043 0.000 1.112 207 N CB 0.624 39.117 38.487 0.010 0.000 1.423 207 N HN 0.644 nan 8.380 nan 0.000 0.497 208 S N 0.223 115.928 115.700 0.008 0.000 2.672 208 S HA 0.449 4.919 4.470 -0.000 0.000 0.291 208 S C -1.653 172.884 174.600 -0.106 0.000 1.145 208 S CA -0.458 57.743 58.200 0.003 0.000 1.013 208 S CB 1.209 64.514 63.200 0.175 0.000 1.017 208 S HN 0.237 nan 8.310 nan 0.000 0.487 209 Q N 3.433 123.060 119.800 -0.288 0.000 2.528 209 Q HA 0.516 4.856 4.340 -0.000 0.000 0.289 209 Q C -2.083 173.727 176.000 -0.317 0.000 1.091 209 Q CA -1.814 53.797 55.803 -0.319 0.000 0.797 209 Q CB 1.291 29.731 28.738 -0.497 0.000 1.466 209 Q HN 0.259 nan 8.270 nan 0.000 0.436 210 P HA -0.178 nan 4.420 nan 0.000 0.218 210 P C 0.268 177.559 177.300 -0.015 0.000 1.146 210 P CA 1.377 64.460 63.100 -0.028 0.000 0.820 210 P CB 0.089 31.828 31.700 0.065 0.000 0.778 211 F N -3.873 116.083 119.950 0.010 0.000 2.749 211 F HA 0.469 4.996 4.527 0.000 0.000 0.300 211 F C 0.701 176.505 175.800 0.007 0.000 1.103 211 F CA -0.320 57.687 58.000 0.010 0.000 1.342 211 F CB -0.121 38.890 39.000 0.018 0.000 1.098 211 F HN -0.247 nan 8.300 nan 0.000 0.586 212 M N 1.745 121.038 119.600 -0.512 0.000 2.437 212 M HA 0.272 4.752 4.480 -0.000 0.000 0.203 212 M C -1.491 174.616 176.300 -0.322 0.000 0.957 212 M CA -0.356 54.756 55.300 -0.313 0.000 0.872 212 M CB 1.015 33.446 32.600 -0.282 0.000 2.556 212 M HN -0.097 nan 8.290 nan 0.000 0.428 213 R N 3.349 123.733 120.500 -0.193 0.000 2.500 213 R HA 0.302 4.642 4.340 -0.000 0.000 0.275 213 R C 1.101 177.310 176.300 -0.151 0.000 1.051 213 R CA -0.230 55.765 56.100 -0.174 0.000 1.088 213 R CB 0.812 30.989 30.300 -0.205 0.000 1.063 213 R HN 0.918 nan 8.270 nan 0.000 0.511 214 W N 3.685 124.881 121.300 -0.174 0.000 2.335 214 W HA -0.183 4.477 4.660 -0.000 0.000 0.311 214 W C 1.058 177.445 176.519 -0.220 0.000 1.213 214 W CA 0.778 58.013 57.345 -0.183 0.000 1.274 214 W CB -0.498 28.780 29.460 -0.304 0.000 1.148 214 W HN 0.487 nan 8.180 nan 0.000 0.498 215 R N 1.220 120.932 120.500 -1.313 0.000 2.120 215 R HA -0.135 4.205 4.340 -0.000 0.000 0.234 215 R C 1.633 177.689 176.300 -0.406 0.000 1.123 215 R CA 1.855 57.214 56.100 -1.234 0.000 0.975 215 R CB -0.586 28.707 30.300 -1.679 0.000 0.866 215 R HN 0.214 nan 8.270 nan 0.000 0.446 216 D N -0.377 119.861 120.400 -0.270 0.000 2.162 216 D HA -0.127 4.513 4.640 -0.000 0.000 0.203 216 D C 1.915 178.332 176.300 0.195 0.000 0.967 216 D CA 0.629 54.616 54.000 -0.020 0.000 0.840 216 D CB -0.098 40.740 40.800 0.063 0.000 0.972 216 D HN 0.223 nan 8.370 nan 0.000 0.482 217 R N 0.044 120.648 120.500 0.172 0.000 2.070 217 R HA -0.159 4.181 4.340 -0.000 0.000 0.232 217 R C 2.293 178.791 176.300 0.331 0.000 1.138 217 R CA 1.189 57.426 56.100 0.227 0.000 0.936 217 R CB -0.380 30.015 30.300 0.157 0.000 0.839 217 R HN -0.011 nan 8.270 nan 0.000 0.429 218 F N 1.244 121.279 119.950 0.141 0.000 2.087 218 F HA -0.265 4.262 4.527 0.000 0.000 0.299 218 F C 2.329 178.205 175.800 0.128 0.000 1.100 218 F CA 1.426 59.541 58.000 0.193 0.000 1.226 218 F CB -0.907 38.344 39.000 0.417 0.000 0.983 218 F HN 0.133 nan 8.300 nan 0.000 0.479 219 L N -1.551 119.875 121.223 0.338 0.000 2.017 219 L HA -0.254 4.086 4.340 -0.000 0.000 0.208 219 L C 2.421 179.268 176.870 -0.040 0.000 1.073 219 L CA 1.482 56.382 54.840 0.100 0.000 0.745 219 L CB -0.483 41.563 42.059 -0.022 0.000 0.894 219 L HN -0.013 nan 8.230 nan 0.000 0.432 220 F N -0.336 119.657 119.950 0.073 0.000 2.146 220 F HA -0.212 4.315 4.527 0.000 0.000 0.298 220 F C 2.634 178.433 175.800 -0.001 0.000 1.096 220 F CA 1.414 59.435 58.000 0.036 0.000 1.275 220 F CB -0.959 38.064 39.000 0.038 0.000 1.008 220 F HN 0.219 nan 8.300 nan 0.000 0.480 221 C N -0.469 118.912 119.300 0.134 0.000 2.435 221 C HA -0.016 4.444 4.460 -0.000 0.000 0.279 221 C C 3.063 177.989 174.990 -0.107 0.000 1.321 221 C CA 0.699 59.678 59.018 -0.065 0.000 1.752 221 C CB -1.652 25.880 27.740 -0.346 0.000 1.959 221 C HN 0.484 nan 8.230 nan 0.000 0.500 222 A N 0.559 123.323 122.820 -0.093 0.000 1.930 222 A HA -0.211 4.109 4.320 -0.000 0.000 0.217 222 A C 2.166 179.659 177.584 -0.152 0.000 1.175 222 A CA 1.794 53.703 52.037 -0.214 0.000 0.627 222 A CB -0.615 18.336 19.000 -0.081 0.000 0.815 222 A HN 0.694 nan 8.150 nan 0.000 0.443 223 E N -0.032 120.179 120.200 0.018 0.000 2.051 223 E HA -0.160 4.190 4.350 -0.000 0.000 0.192 223 E C 2.154 178.782 176.600 0.047 0.000 0.991 223 E CA 1.152 57.601 56.400 0.081 0.000 0.799 223 E CB -0.266 29.485 29.700 0.085 0.000 0.748 223 E HN 0.521 nan 8.360 nan 0.000 0.449 224 A N 1.058 123.905 122.820 0.045 0.000 1.933 224 A HA -0.163 4.157 4.320 -0.000 0.000 0.218 224 A C 2.191 179.827 177.584 0.086 0.000 1.175 224 A CA 1.624 53.706 52.037 0.075 0.000 0.628 224 A CB -0.668 18.413 19.000 0.134 0.000 0.814 224 A HN 0.418 nan 8.150 nan 0.000 0.444 225 L N -3.501 117.700 121.223 -0.037 0.000 2.131 225 L HA 0.036 4.376 4.340 -0.000 0.000 0.206 225 L C 2.157 178.986 176.870 -0.068 0.000 1.087 225 L CA 1.646 56.438 54.840 -0.079 0.000 0.767 225 L CB -1.108 40.834 42.059 -0.196 0.000 0.917 225 L HN 0.224 nan 8.230 nan 0.000 0.441 226 Y N 0.724 121.046 120.300 0.037 0.000 2.352 226 Y HA -0.082 4.468 4.550 -0.000 0.000 0.292 226 Y C 2.710 178.626 175.900 0.026 0.000 1.136 226 Y CA 1.320 59.432 58.100 0.021 0.000 1.227 226 Y CB -0.643 37.819 38.460 0.003 0.000 0.991 226 Y HN 0.337 nan 8.280 nan 0.000 0.545 227 K N 0.252 120.742 120.400 0.150 0.000 2.025 227 K HA -0.126 4.194 4.320 -0.000 0.000 0.207 227 K C 2.366 179.077 176.600 0.185 0.000 1.049 227 K CA 1.078 57.408 56.287 0.071 0.000 0.933 227 K CB -0.261 32.130 32.500 -0.182 0.000 0.714 227 K HN 0.178 nan 8.250 nan 0.000 0.438 228 A N 1.388 124.392 122.820 0.306 0.000 1.873 228 A HA -0.314 4.006 4.320 -0.000 0.000 0.218 228 A C 2.148 179.813 177.584 0.136 0.000 1.193 228 A CA 2.108 54.307 52.037 0.270 0.000 0.629 228 A CB -0.963 18.147 19.000 0.183 0.000 0.826 228 A HN 0.615 nan 8.150 nan 0.000 0.447 229 Q N -0.750 119.116 119.800 0.110 0.000 2.096 229 Q HA -0.153 4.187 4.340 -0.000 0.000 0.204 229 Q C 2.131 178.179 176.000 0.081 0.000 0.982 229 Q CA 1.913 57.766 55.803 0.083 0.000 0.850 229 Q CB -0.384 28.422 28.738 0.114 0.000 0.901 229 Q HN 0.627 nan 8.270 nan 0.000 0.422 230 A N 0.341 123.219 122.820 0.097 0.000 1.972 230 A HA -0.222 4.098 4.320 -0.000 0.000 0.219 230 A C 1.866 179.486 177.584 0.061 0.000 1.169 230 A CA 1.576 53.654 52.037 0.068 0.000 0.635 230 A CB -0.524 18.513 19.000 0.063 0.000 0.810 230 A HN 0.620 nan 8.150 nan 0.000 0.446 231 E N -0.445 119.805 120.200 0.084 0.000 2.021 231 E HA -0.139 4.211 4.350 -0.000 0.000 0.189 231 E C 2.241 178.874 176.600 0.055 0.000 0.980 231 E CA 1.683 58.132 56.400 0.083 0.000 0.803 231 E CB -0.101 29.684 29.700 0.142 0.000 0.766 231 E HN 0.701 nan 8.360 nan 0.000 0.449 232 T N -2.785 111.796 114.554 0.046 0.000 2.777 232 T HA 0.058 4.408 4.350 -0.000 0.000 0.266 232 T C 1.657 176.367 174.700 0.016 0.000 1.040 232 T CA 1.203 63.316 62.100 0.021 0.000 1.141 232 T CB -0.189 68.680 68.868 0.003 0.000 0.868 232 T HN 0.428 nan 8.240 nan 0.000 0.444 233 G N 0.943 109.755 108.800 0.020 0.000 2.176 233 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.232 233 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.232 233 G C -0.224 174.680 174.900 0.006 0.000 0.986 233 G CA 0.088 45.197 45.100 0.015 0.000 0.643 233 G HN 0.685 nan 8.290 nan 0.000 0.522 234 E N -0.529 119.668 120.200 -0.005 0.000 2.235 234 E HA 0.673 5.023 4.350 -0.000 0.000 0.265 234 E C 0.139 176.717 176.600 -0.037 0.000 0.940 234 E CA -1.035 55.350 56.400 -0.026 0.000 0.819 234 E CB 1.796 31.469 29.700 -0.045 0.000 1.206 234 E HN 0.261 nan 8.360 nan 0.000 0.409 235 I N 2.399 122.934 120.570 -0.058 0.000 2.474 235 I HA 0.119 4.289 4.170 -0.000 0.000 0.287 235 I C 0.188 176.235 176.117 -0.115 0.000 1.048 235 I CA -0.166 61.102 61.300 -0.053 0.000 1.383 235 I CB 0.344 38.316 38.000 -0.046 0.000 1.412 235 I HN 0.169 nan 8.210 nan 0.000 0.531 236 K N 4.049 124.398 120.400 -0.087 0.000 2.295 236 K HA 0.820 5.140 4.320 -0.000 0.000 0.239 236 K C -0.307 176.231 176.600 -0.103 0.000 0.991 236 K CA -0.761 55.439 56.287 -0.144 0.000 0.845 236 K CB 2.101 34.553 32.500 -0.080 0.000 1.197 236 K HN 0.793 nan 8.250 nan 0.000 0.441 237 G N -0.143 108.603 108.800 -0.090 0.000 2.698 237 G HA2 0.465 4.425 3.960 -0.000 0.000 0.293 237 G HA3 0.465 4.425 3.960 -0.000 0.000 0.293 237 G C -2.062 172.941 174.900 0.171 0.000 1.437 237 G CA -0.399 44.765 45.100 0.107 0.000 0.852 237 G HN 0.611 nan 8.290 nan 0.000 0.499 238 H N -0.199 118.919 119.070 0.081 0.000 2.877 238 H HA 0.531 5.087 4.556 -0.000 0.000 0.347 238 H C -1.284 174.068 175.328 0.040 0.000 1.042 238 H CA -0.768 55.260 56.048 -0.033 0.000 1.276 238 H CB 1.012 30.735 29.762 -0.065 0.000 1.681 238 H HN 0.386 nan 8.280 nan 0.000 0.521 239 Y N 5.564 125.591 120.300 -0.456 0.000 2.674 239 Y HA 0.149 4.699 4.550 -0.000 0.000 0.354 239 Y C 0.101 175.906 175.900 -0.159 0.000 1.089 239 Y CA -0.713 57.214 58.100 -0.288 0.000 1.444 239 Y CB -0.569 37.657 38.460 -0.389 0.000 1.187 239 Y HN 0.439 nan 8.280 nan 0.000 0.523 240 L N 4.244 125.469 121.223 0.004 0.000 2.313 240 L HA 0.169 4.509 4.340 -0.000 0.000 0.282 240 L C 0.673 177.530 176.870 -0.022 0.000 1.092 240 L CA -0.293 54.431 54.840 -0.194 0.000 0.831 240 L CB 0.331 41.874 42.059 -0.860 0.000 1.159 240 L HN 0.516 nan 8.230 nan 0.000 0.442 241 N N 2.853 121.629 118.700 0.126 0.000 2.405 241 N HA 0.146 4.886 4.740 -0.000 0.000 0.260 241 N C 0.383 176.039 175.510 0.244 0.000 1.152 241 N CA 0.010 53.168 53.050 0.180 0.000 0.948 241 N CB 1.652 40.234 38.487 0.159 0.000 1.111 241 N HN 0.687 nan 8.380 nan 0.000 0.485 242 A N 2.898 125.829 122.820 0.184 0.000 2.337 242 A HA 0.121 4.441 4.320 -0.000 0.000 0.227 242 A C 0.585 178.181 177.584 0.020 0.000 1.259 242 A CA -0.176 51.917 52.037 0.095 0.000 0.870 242 A CB -0.334 18.680 19.000 0.022 0.000 0.927 242 A HN 0.562 nan 8.150 nan 0.000 0.497 243 T N 1.482 116.111 114.554 0.125 0.000 2.916 243 T HA 0.502 4.852 4.350 -0.000 0.000 0.303 243 T C 0.186 174.888 174.700 0.002 0.000 1.025 243 T CA 0.778 62.970 62.100 0.154 0.000 1.142 243 T CB 1.097 70.029 68.868 0.107 0.000 0.947 243 T HN 0.736 nan 8.240 nan 0.000 0.544 244 A N 1.617 124.425 122.820 -0.020 0.000 2.609 244 A HA 0.765 5.085 4.320 -0.000 0.000 0.291 244 A C 1.072 178.626 177.584 -0.050 0.000 1.096 244 A CA -0.393 51.596 52.037 -0.080 0.000 0.684 244 A CB 0.870 19.773 19.000 -0.160 0.000 1.282 244 A HN 0.826 nan 8.150 nan 0.000 0.412 245 G N -0.468 108.299 108.800 -0.055 0.000 2.920 245 G HA2 0.400 4.360 3.960 -0.000 0.000 0.208 245 G HA3 0.400 4.360 3.960 -0.000 0.000 0.208 245 G C 0.497 175.373 174.900 -0.039 0.000 1.159 245 G CA 1.400 46.477 45.100 -0.038 0.000 0.784 245 G HN 1.539 nan 8.290 nan 0.000 0.535 246 T N -4.893 109.628 114.554 -0.055 0.000 2.843 246 T HA 0.231 4.581 4.350 -0.000 0.000 0.302 246 T C 0.573 175.230 174.700 -0.072 0.000 1.232 246 T CA -0.402 61.667 62.100 -0.052 0.000 1.009 246 T CB 1.356 70.194 68.868 -0.050 0.000 1.254 246 T HN -0.162 nan 8.240 nan 0.000 0.504 247 C N 0.501 119.764 119.300 -0.063 0.000 2.440 247 C HA 0.012 4.472 4.460 -0.000 0.000 0.278 247 C C 2.521 177.451 174.990 -0.100 0.000 1.295 247 C CA 1.171 60.143 59.018 -0.077 0.000 1.738 247 C CB -1.256 26.453 27.740 -0.052 0.000 1.987 247 C HN 1.058 nan 8.230 nan 0.000 0.492 248 E N 0.506 120.656 120.200 -0.084 0.000 2.031 248 E HA -0.170 4.180 4.350 -0.000 0.000 0.193 248 E C 2.231 178.754 176.600 -0.129 0.000 0.994 248 E CA 1.058 57.405 56.400 -0.088 0.000 0.800 248 E CB -0.324 29.339 29.700 -0.060 0.000 0.752 248 E HN 0.479 nan 8.360 nan 0.000 0.447 249 E N 0.150 120.269 120.200 -0.136 0.000 2.204 249 E HA -0.176 4.174 4.350 -0.000 0.000 0.195 249 E C 1.931 178.347 176.600 -0.306 0.000 0.990 249 E CA 0.711 56.990 56.400 -0.200 0.000 0.821 249 E CB -0.122 29.476 29.700 -0.170 0.000 0.750 249 E HN 0.329 nan 8.360 nan 0.000 0.477 250 M N 0.028 119.482 119.600 -0.244 0.000 2.098 250 M HA -0.147 4.333 4.480 -0.000 0.000 0.262 250 M C 1.862 177.975 176.300 -0.312 0.000 1.072 250 M CA 1.271 56.410 55.300 -0.269 0.000 1.133 250 M CB 0.044 32.514 32.600 -0.217 0.000 1.344 250 M HN -0.017 nan 8.290 nan 0.000 0.414 251 I N 0.824 121.223 120.570 -0.285 0.000 2.286 251 I HA -0.265 3.905 4.170 -0.000 0.000 0.248 251 I C 2.286 178.191 176.117 -0.354 0.000 1.115 251 I CA 1.382 62.462 61.300 -0.367 0.000 1.392 251 I CB -1.367 36.472 38.000 -0.268 0.000 1.065 251 I HN 0.450 nan 8.210 nan 0.000 0.418 252 K N 0.992 121.231 120.400 -0.268 0.000 2.113 252 K HA -0.200 4.120 4.320 -0.000 0.000 0.208 252 K C 2.249 178.669 176.600 -0.301 0.000 1.047 252 K CA 1.506 57.665 56.287 -0.213 0.000 0.928 252 K CB 0.056 32.447 32.500 -0.182 0.000 0.716 252 K HN 0.268 nan 8.250 nan 0.000 0.446 253 R N -0.530 119.624 120.500 -0.577 0.000 2.093 253 R HA 0.000 4.340 4.340 -0.000 0.000 0.224 253 R C 2.399 178.646 176.300 -0.087 0.000 1.101 253 R CA 0.890 56.550 56.100 -0.733 0.000 0.979 253 R CB -0.233 29.511 30.300 -0.927 0.000 0.877 253 R HN 0.184 nan 8.270 nan 0.000 0.441 254 A N 1.024 123.741 122.820 -0.173 0.000 1.865 254 A HA -0.142 4.178 4.320 -0.000 0.000 0.217 254 A C 2.356 179.928 177.584 -0.020 0.000 1.191 254 A CA 1.539 53.500 52.037 -0.126 0.000 0.623 254 A CB -0.778 17.912 19.000 -0.517 0.000 0.826 254 A HN 0.102 nan 8.150 nan 0.000 0.444 255 V N -1.276 118.554 119.914 -0.140 0.000 2.324 255 V HA -0.271 3.849 4.120 -0.000 0.000 0.250 255 V C 2.311 178.556 176.094 0.252 0.000 1.060 255 V CA 2.334 64.703 62.300 0.114 0.000 1.042 255 V CB -0.866 31.003 31.823 0.077 0.000 0.650 255 V HN 0.652 nan 8.190 nan 0.000 0.450 256 F N 0.982 121.035 119.950 0.172 0.000 2.407 256 F HA 0.085 4.612 4.527 -0.000 0.000 0.299 256 F C 2.101 178.095 175.800 0.323 0.000 1.097 256 F CA 0.805 58.955 58.000 0.251 0.000 1.422 256 F CB -0.381 38.815 39.000 0.326 0.000 1.067 256 F HN 0.066 nan 8.300 nan 0.000 0.539 257 A N 0.830 123.791 122.820 0.234 0.000 1.897 257 A HA -0.105 4.215 4.320 -0.000 0.000 0.215 257 A C 2.440 180.062 177.584 0.062 0.000 1.181 257 A CA 1.048 53.161 52.037 0.126 0.000 0.620 257 A CB -0.732 18.379 19.000 0.185 0.000 0.821 257 A HN 0.287 nan 8.150 nan 0.000 0.443 258 R N 0.333 120.923 120.500 0.150 0.000 2.113 258 R HA -0.223 4.117 4.340 -0.000 0.000 0.244 258 R C 2.072 178.416 176.300 0.073 0.000 1.142 258 R CA 2.252 58.439 56.100 0.145 0.000 0.953 258 R CB -0.598 29.849 30.300 0.245 0.000 0.860 258 R HN 0.774 nan 8.270 nan 0.000 0.438 259 E N 0.154 120.383 120.200 0.049 0.000 2.110 259 E HA -0.157 4.193 4.350 -0.000 0.000 0.193 259 E C 1.875 178.435 176.600 -0.067 0.000 0.988 259 E CA 1.031 57.436 56.400 0.008 0.000 0.804 259 E CB -0.067 29.667 29.700 0.056 0.000 0.745 259 E HN 0.386 nan 8.360 nan 0.000 0.458 260 L N -0.466 120.656 121.223 -0.168 0.000 2.599 260 L HA 0.182 4.522 4.340 -0.000 0.000 0.230 260 L C 1.430 178.346 176.870 0.076 0.000 1.141 260 L CA 0.398 55.192 54.840 -0.077 0.000 0.877 260 L CB 0.079 42.046 42.059 -0.153 0.000 1.009 260 L HN 0.394 nan 8.230 nan 0.000 0.447 261 G N 0.790 109.629 108.800 0.066 0.000 2.143 261 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.248 261 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.248 261 G C 0.316 175.313 174.900 0.163 0.000 0.991 261 G CA 0.221 45.385 45.100 0.106 0.000 0.689 261 G HN 0.262 nan 8.290 nan 0.000 0.522 262 V N -1.945 118.035 119.914 0.110 0.000 2.607 262 V HA 0.726 4.846 4.120 -0.000 0.000 0.289 262 V C -0.101 176.023 176.094 0.051 0.000 1.053 262 V CA -1.097 61.237 62.300 0.056 0.000 0.996 262 V CB 1.427 33.219 31.823 -0.051 0.000 0.995 262 V HN 0.074 nan 8.190 nan 0.000 0.476 263 P HA 0.226 nan 4.420 nan 0.000 0.236 263 P C 0.114 177.447 177.300 0.055 0.000 1.177 263 P CA 0.713 63.847 63.100 0.057 0.000 0.773 263 P CB 0.555 32.300 31.700 0.074 0.000 0.878 264 I N -0.259 120.347 120.570 0.060 0.000 2.722 264 I HA 0.302 4.472 4.170 -0.000 0.000 0.292 264 I C -1.024 175.103 176.117 0.018 0.000 1.267 264 I CA -1.260 60.054 61.300 0.023 0.000 1.036 264 I CB 2.503 40.526 38.000 0.037 0.000 1.281 264 I HN -0.296 nan 8.210 nan 0.000 0.423 265 V N 4.207 124.123 119.914 0.003 0.000 3.229 265 V HA 0.730 4.850 4.120 -0.000 0.000 0.310 265 V C -0.529 175.570 176.094 0.008 0.000 1.206 265 V CA -0.768 61.541 62.300 0.016 0.000 1.051 265 V CB 1.840 33.697 31.823 0.056 0.000 1.183 265 V HN 0.938 nan 8.190 nan 0.000 0.466 266 M N 0.959 120.596 119.600 0.062 0.000 2.575 266 M HA 0.645 5.125 4.480 -0.000 0.000 0.284 266 M C -1.747 174.650 176.300 0.162 0.000 1.253 266 M CA -0.452 54.907 55.300 0.100 0.000 0.861 266 M CB 2.351 35.053 32.600 0.170 0.000 1.733 266 M HN 1.159 nan 8.290 nan 0.000 0.462 267 H N 1.197 120.280 119.070 0.021 0.000 2.996 267 H HA 0.337 4.893 4.556 0.000 0.000 0.368 267 H C -1.742 173.606 175.328 0.033 0.000 1.185 267 H CA -0.652 55.404 56.048 0.014 0.000 1.160 267 H CB 2.034 31.792 29.762 -0.007 0.000 1.820 267 H HN 0.783 nan 8.280 nan 0.000 0.547 268 D N 4.893 125.049 120.400 -0.408 0.000 2.468 268 D HA -0.010 4.630 4.640 -0.000 0.000 0.218 268 D C 0.991 176.913 176.300 -0.630 0.000 1.155 268 D CA -0.152 53.640 54.000 -0.347 0.000 0.924 268 D CB 0.038 40.694 40.800 -0.241 0.000 1.029 268 D HN 0.521 nan 8.370 nan 0.000 0.515 269 Y N 1.162 121.137 120.300 -0.542 0.000 2.315 269 Y HA -0.109 4.441 4.550 -0.000 0.000 0.288 269 Y C 1.212 176.841 175.900 -0.452 0.000 1.154 269 Y CA 1.051 58.883 58.100 -0.447 0.000 1.229 269 Y CB -0.388 37.936 38.460 -0.227 0.000 0.980 269 Y HN 0.277 nan 8.280 nan 0.000 0.540 270 L N 0.140 120.942 121.223 -0.701 0.000 2.253 270 L HA -0.045 4.295 4.340 -0.000 0.000 0.205 270 L C 2.553 179.167 176.870 -0.427 0.000 1.078 270 L CA 1.266 55.652 54.840 -0.756 0.000 0.805 270 L CB -0.557 41.080 42.059 -0.704 0.000 0.963 270 L HN 0.401 nan 8.230 nan 0.000 0.459 271 T N -2.925 111.450 114.554 -0.298 0.000 2.812 271 T HA -0.055 4.295 4.350 -0.000 0.000 0.264 271 T C 1.933 176.528 174.700 -0.175 0.000 1.042 271 T CA 0.877 62.859 62.100 -0.197 0.000 1.140 271 T CB -0.851 67.929 68.868 -0.147 0.000 0.870 271 T HN 0.332 nan 8.240 nan 0.000 0.445 272 G N 1.908 110.575 108.800 -0.221 0.000 2.480 272 G HA2 0.337 4.297 3.960 -0.000 0.000 0.216 272 G HA3 0.337 4.297 3.960 -0.000 0.000 0.216 272 G C 0.848 175.715 174.900 -0.055 0.000 1.200 272 G CA 0.576 45.634 45.100 -0.071 0.000 0.782 272 G HN 1.305 nan 8.290 nan 0.000 0.554 273 G N -2.651 106.049 108.800 -0.166 0.000 2.406 273 G HA2 0.087 4.047 3.960 -0.000 0.000 0.680 273 G HA3 0.087 4.047 3.960 -0.000 0.000 0.680 273 G C 0.035 174.832 174.900 -0.171 0.000 1.338 273 G CA -0.077 44.897 45.100 -0.210 0.000 0.941 273 G HN 0.110 nan 8.290 nan 0.000 0.633 274 F N 0.436 120.378 119.950 -0.014 0.000 2.206 274 F HA 0.070 4.597 4.527 -0.000 0.000 0.298 274 F C 3.085 178.883 175.800 -0.003 0.000 1.090 274 F CA 2.133 60.127 58.000 -0.010 0.000 1.323 274 F CB -0.576 38.366 39.000 -0.097 0.000 1.028 274 F HN 0.538 nan 8.300 nan 0.000 0.492 275 T N -0.107 114.532 114.554 0.143 0.000 2.652 275 T HA -0.209 4.141 4.350 -0.000 0.000 0.267 275 T C 2.305 177.019 174.700 0.024 0.000 1.039 275 T CA 1.570 63.712 62.100 0.071 0.000 1.153 275 T CB -0.662 68.239 68.868 0.056 0.000 0.863 275 T HN 0.262 nan 8.240 nan 0.000 0.428 276 A N 1.297 124.130 122.820 0.021 0.000 1.972 276 A HA -0.105 4.215 4.320 -0.000 0.000 0.219 276 A C 2.094 179.639 177.584 -0.064 0.000 1.169 276 A CA 1.999 54.022 52.037 -0.024 0.000 0.635 276 A CB -0.754 18.245 19.000 -0.002 0.000 0.810 276 A HN 0.566 nan 8.150 nan 0.000 0.446 277 N N -1.139 117.582 118.700 0.034 0.000 2.300 277 N HA -0.079 4.661 4.740 -0.000 0.000 0.179 277 N C 1.583 177.066 175.510 -0.045 0.000 1.016 277 N CA 1.697 54.764 53.050 0.027 0.000 0.876 277 N CB -0.137 38.493 38.487 0.237 0.000 0.979 277 N HN 0.336 nan 8.380 nan 0.000 0.432 278 T N -0.950 113.571 114.554 -0.054 0.000 2.737 278 T HA -0.075 4.275 4.350 -0.000 0.000 0.265 278 T C 1.899 176.389 174.700 -0.351 0.000 1.038 278 T CA 1.423 63.390 62.100 -0.221 0.000 1.144 278 T CB -0.444 68.325 68.868 -0.166 0.000 0.866 278 T HN 0.166 nan 8.240 nan 0.000 0.434 279 S N 1.418 117.002 115.700 -0.194 0.000 2.374 279 S HA -0.077 4.393 4.470 -0.000 0.000 0.227 279 S C 1.886 176.445 174.600 -0.068 0.000 1.037 279 S CA 0.819 58.952 58.200 -0.111 0.000 1.024 279 S CB -0.468 62.694 63.200 -0.062 0.000 0.861 279 S HN 0.236 nan 8.310 nan 0.000 0.456 280 L N 1.371 122.521 121.223 -0.122 0.000 2.217 280 L HA 0.206 4.546 4.340 -0.000 0.000 0.211 280 L C 2.200 179.078 176.870 0.013 0.000 1.107 280 L CA 1.296 56.084 54.840 -0.085 0.000 0.783 280 L CB -0.940 40.971 42.059 -0.246 0.000 0.919 280 L HN 0.229 nan 8.230 nan 0.000 0.442 281 A N -1.611 121.186 122.820 -0.040 0.000 1.929 281 A HA -0.182 4.138 4.320 -0.000 0.000 0.216 281 A C 2.131 179.763 177.584 0.081 0.000 1.176 281 A CA 1.463 53.495 52.037 -0.007 0.000 0.628 281 A CB -0.889 18.077 19.000 -0.057 0.000 0.816 281 A HN 0.651 nan 8.150 nan 0.000 0.444 282 H N -3.213 115.865 119.070 0.013 0.000 2.357 282 H HA -0.161 4.395 4.556 -0.000 0.000 0.301 282 H C 2.013 177.344 175.328 0.005 0.000 1.082 282 H CA 1.599 57.645 56.048 -0.003 0.000 1.342 282 H CB -0.120 29.644 29.762 0.004 0.000 1.389 282 H HN 0.667 nan 8.280 nan 0.000 0.511 283 Y N 0.855 121.207 120.300 0.086 0.000 2.181 283 Y HA -0.269 4.281 4.550 -0.000 0.000 0.288 283 Y C 2.406 178.329 175.900 0.038 0.000 1.146 283 Y CA 1.263 59.389 58.100 0.043 0.000 1.164 283 Y CB -0.526 37.942 38.460 0.014 0.000 0.982 283 Y HN 0.211 nan 8.280 nan 0.000 0.515 284 C N 0.233 119.617 119.300 0.139 0.000 2.435 284 C HA -0.087 4.373 4.460 -0.000 0.000 0.279 284 C C 2.690 177.680 174.990 -0.000 0.000 1.321 284 C CA 1.188 60.261 59.018 0.091 0.000 1.752 284 C CB -1.226 26.591 27.740 0.129 0.000 1.959 284 C HN 0.554 nan 8.230 nan 0.000 0.500 285 R N 2.159 122.623 120.500 -0.059 0.000 2.062 285 R HA -0.087 4.253 4.340 -0.000 0.000 0.231 285 R C 1.527 177.756 176.300 -0.118 0.000 1.136 285 R CA 2.031 58.039 56.100 -0.154 0.000 0.948 285 R CB -1.101 29.125 30.300 -0.123 0.000 0.845 285 R HN 0.383 nan 8.270 nan 0.000 0.430 286 D N -0.052 120.267 120.400 -0.134 0.000 2.309 286 D HA -0.100 4.540 4.640 -0.000 0.000 0.212 286 D C 0.477 176.655 176.300 -0.204 0.000 0.968 286 D CA 0.981 54.885 54.000 -0.160 0.000 0.882 286 D CB -0.049 40.642 40.800 -0.180 0.000 0.918 286 D HN 0.404 nan 8.370 nan 0.000 0.503 287 N N -1.103 117.444 118.700 -0.255 0.000 2.170 287 N HA 0.139 4.879 4.740 -0.000 0.000 0.222 287 N C 0.909 176.387 175.510 -0.053 0.000 1.218 287 N CA 0.464 53.383 53.050 -0.218 0.000 0.889 287 N CB 2.141 40.370 38.487 -0.429 0.000 1.083 287 N HN 0.120 nan 8.380 nan 0.000 0.520 288 G N 1.379 110.204 108.800 0.042 0.000 2.141 288 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.242 288 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.242 288 G C -0.215 174.741 174.900 0.093 0.000 0.982 288 G CA -0.100 45.074 45.100 0.122 0.000 0.662 288 G HN 0.172 nan 8.290 nan 0.000 0.527 289 L N 0.593 121.907 121.223 0.151 0.000 2.309 289 L HA 0.654 4.994 4.340 -0.000 0.000 0.282 289 L C 1.068 178.012 176.870 0.123 0.000 1.036 289 L CA -1.054 53.844 54.840 0.097 0.000 0.806 289 L CB 1.399 43.537 42.059 0.132 0.000 1.220 289 L HN 0.035 nan 8.230 nan 0.000 0.429 290 L N 3.095 124.327 121.223 0.016 0.000 2.417 290 L HA 0.251 4.591 4.340 -0.000 0.000 0.268 290 L C -0.368 176.475 176.870 -0.045 0.000 1.158 290 L CA -0.372 54.471 54.840 0.004 0.000 0.819 290 L CB 0.895 42.901 42.059 -0.089 0.000 1.112 290 L HN 0.377 nan 8.230 nan 0.000 0.458 291 L N 2.395 123.573 121.223 -0.075 0.000 2.313 291 L HA 0.375 4.715 4.340 -0.000 0.000 0.283 291 L C -0.616 176.116 176.870 -0.231 0.000 1.013 291 L CA -0.174 54.606 54.840 -0.101 0.000 0.816 291 L CB 1.107 43.141 42.059 -0.042 0.000 1.236 291 L HN 0.455 nan 8.230 nan 0.000 0.419 292 H N 5.213 124.033 119.070 -0.417 0.000 2.459 292 H HA 0.644 5.200 4.556 -0.000 0.000 0.332 292 H C -0.993 174.183 175.328 -0.255 0.000 1.094 292 H CA -0.669 55.048 56.048 -0.552 0.000 1.224 292 H CB 0.884 30.088 29.762 -0.929 0.000 1.449 292 H HN 0.497 nan 8.280 nan 0.000 0.484 293 I N 4.645 124.913 120.570 -0.504 0.000 2.460 293 I HA 0.191 4.361 4.170 -0.000 0.000 0.298 293 I C -0.043 175.862 176.117 -0.353 0.000 0.989 293 I CA -0.559 60.549 61.300 -0.320 0.000 1.173 293 I CB 1.388 39.190 38.000 -0.330 0.000 1.338 293 I HN 0.723 nan 8.210 nan 0.000 0.456 294 H N 6.171 125.087 119.070 -0.257 0.000 2.529 294 H HA 0.353 4.909 4.556 -0.000 0.000 0.348 294 H C 0.024 175.265 175.328 -0.146 0.000 1.079 294 H CA -0.633 55.194 56.048 -0.368 0.000 1.198 294 H CB 1.593 31.149 29.762 -0.343 0.000 1.521 294 H HN 0.573 nan 8.280 nan 0.000 0.514 295 R N 3.108 123.425 120.500 -0.306 0.000 2.788 295 R HA 0.409 4.749 4.340 -0.000 0.000 0.264 295 R C 0.371 176.663 176.300 -0.013 0.000 1.267 295 R CA -0.280 55.758 56.100 -0.102 0.000 1.213 295 R CB -0.203 29.922 30.300 -0.293 0.000 1.256 295 R HN 0.348 nan 8.270 nan 0.000 0.556 296 A N 1.282 124.232 122.820 0.217 0.000 2.587 296 A HA 0.035 4.355 4.320 -0.000 0.000 0.233 296 A C 1.026 178.645 177.584 0.058 0.000 1.049 296 A CA 0.705 52.851 52.037 0.181 0.000 0.754 296 A CB -0.146 18.898 19.000 0.075 0.000 0.977 296 A HN 0.830 nan 8.150 nan 0.000 0.509 297 M N 0.010 119.651 119.600 0.069 0.000 2.931 297 M HA -0.340 4.140 4.480 -0.000 0.000 0.190 297 M C 1.118 177.441 176.300 0.038 0.000 0.626 297 M CA 1.981 57.288 55.300 0.011 0.000 0.722 297 M CB -1.981 30.588 32.600 -0.052 0.000 2.597 297 M HN 1.230 nan 8.290 nan 0.000 0.299 298 H N -1.527 117.508 119.070 -0.059 0.000 2.319 298 H HA 0.086 4.642 4.556 -0.000 0.000 0.297 298 H C 1.818 177.133 175.328 -0.023 0.000 1.097 298 H CA 1.653 57.684 56.048 -0.028 0.000 1.285 298 H CB -0.536 29.220 29.762 -0.011 0.000 1.368 298 H HN 0.519 nan 8.280 nan 0.000 0.495 299 A N 1.266 123.792 122.820 -0.491 0.000 2.125 299 A HA -0.051 4.269 4.320 -0.000 0.000 0.219 299 A C 2.513 180.007 177.584 -0.151 0.000 1.156 299 A CA 1.199 53.008 52.037 -0.379 0.000 0.671 299 A CB -0.750 17.980 19.000 -0.451 0.000 0.794 299 A HN 0.375 nan 8.150 nan 0.000 0.459 300 V N -0.296 119.563 119.914 -0.091 0.000 2.407 300 V HA -0.233 3.887 4.120 -0.000 0.000 0.248 300 V C 2.248 178.329 176.094 -0.021 0.000 1.055 300 V CA 2.062 64.335 62.300 -0.046 0.000 1.049 300 V CB -0.476 31.325 31.823 -0.035 0.000 0.662 300 V HN 0.620 nan 8.190 nan 0.000 0.455 301 I N 0.632 121.196 120.570 -0.010 0.000 2.731 301 I HA -0.027 4.143 4.170 -0.000 0.000 0.260 301 I C 1.466 177.603 176.117 0.034 0.000 1.138 301 I CA 1.125 62.435 61.300 0.017 0.000 1.461 301 I CB -0.047 37.973 38.000 0.033 0.000 1.128 301 I HN 0.469 nan 8.210 nan 0.000 0.438 302 D N -0.460 119.950 120.400 0.018 0.000 2.501 302 D HA 0.014 4.654 4.640 -0.000 0.000 0.224 302 D C 1.608 177.902 176.300 -0.011 0.000 1.202 302 D CA -0.147 53.865 54.000 0.021 0.000 0.829 302 D CB -0.072 40.764 40.800 0.060 0.000 1.023 302 D HN 0.073 nan 8.370 nan 0.000 0.499 303 R N -0.431 120.058 120.500 -0.019 0.000 2.123 303 R HA 0.098 4.438 4.340 -0.000 0.000 0.209 303 R C 0.084 176.403 176.300 0.031 0.000 1.078 303 R CA 0.292 56.380 56.100 -0.020 0.000 1.028 303 R CB 0.290 30.557 30.300 -0.054 0.000 0.939 303 R HN 0.017 nan 8.270 nan 0.000 0.463 304 Q N 1.694 121.524 119.800 0.051 0.000 2.314 304 Q HA 0.011 4.351 4.340 -0.000 0.000 0.258 304 Q C 0.246 176.310 176.000 0.107 0.000 0.954 304 Q CA 0.257 56.104 55.803 0.073 0.000 0.890 304 Q CB 1.414 30.200 28.738 0.080 0.000 1.210 304 Q HN 0.158 nan 8.270 nan 0.000 0.410 305 K N 1.448 121.908 120.400 0.101 0.000 2.505 305 K HA -0.000 4.320 4.320 -0.000 0.000 0.192 305 K C 0.289 176.960 176.600 0.118 0.000 1.025 305 K CA 0.299 56.656 56.287 0.117 0.000 1.086 305 K CB 0.244 32.803 32.500 0.099 0.000 0.840 305 K HN 0.581 nan 8.250 nan 0.000 0.514 306 N N -0.427 118.352 118.700 0.132 0.000 2.067 306 N HA -0.021 4.719 4.740 -0.000 0.000 0.227 306 N C -0.826 174.803 175.510 0.199 0.000 1.348 306 N CA -0.314 52.815 53.050 0.131 0.000 0.879 306 N CB 0.363 38.912 38.487 0.103 0.000 1.109 306 N HN 0.234 nan 8.380 nan 0.000 0.501 307 H N -0.632 118.513 119.070 0.126 0.000 3.029 307 H HA 0.575 5.131 4.556 -0.000 0.000 0.358 307 H C 0.086 175.536 175.328 0.203 0.000 1.129 307 H CA 0.693 56.857 56.048 0.193 0.000 1.230 307 H CB 1.776 31.633 29.762 0.159 0.000 1.827 307 H HN 0.343 nan 8.280 nan 0.000 0.530 308 G N 2.259 111.215 108.800 0.260 0.000 2.295 308 G HA2 -0.030 3.930 3.960 -0.000 0.000 0.195 308 G HA3 -0.030 3.930 3.960 -0.000 0.000 0.195 308 G C -1.576 173.417 174.900 0.156 0.000 1.269 308 G CA -0.340 44.861 45.100 0.168 0.000 1.170 308 G HN 0.640 nan 8.290 nan 0.000 0.511 309 I N 0.881 121.494 120.570 0.072 0.000 2.533 309 I HA 0.360 4.530 4.170 -0.000 0.000 0.290 309 I C 0.220 176.401 176.117 0.107 0.000 1.056 309 I CA -0.896 60.446 61.300 0.069 0.000 1.057 309 I CB 2.069 40.049 38.000 -0.032 0.000 1.240 309 I HN 0.735 nan 8.210 nan 0.000 0.423 310 H N 5.055 124.172 119.070 0.078 0.000 2.707 310 H HA 0.037 4.593 4.556 -0.000 0.000 0.359 310 H C 0.396 175.824 175.328 0.167 0.000 1.113 310 H CA 0.456 56.582 56.048 0.131 0.000 1.422 310 H CB 1.032 30.859 29.762 0.108 0.000 1.443 310 H HN 0.642 nan 8.280 nan 0.000 0.591 311 F N 5.422 125.033 119.950 -0.566 0.000 2.065 311 F HA -0.262 4.265 4.527 -0.000 0.000 0.298 311 F C 2.763 178.495 175.800 -0.114 0.000 1.112 311 F CA 2.216 60.044 58.000 -0.285 0.000 1.212 311 F CB -0.204 38.539 39.000 -0.429 0.000 0.975 311 F HN 0.740 nan 8.300 nan 0.000 0.476 312 R N -0.039 120.531 120.500 0.117 0.000 2.174 312 R HA -0.187 4.153 4.340 -0.000 0.000 0.253 312 R C 1.801 178.097 176.300 -0.007 0.000 1.165 312 R CA 2.100 58.232 56.100 0.053 0.000 0.984 312 R CB -1.720 28.829 30.300 0.415 0.000 0.873 312 R HN 0.341 nan 8.270 nan 0.000 0.456 313 V N 1.257 121.214 119.914 0.072 0.000 2.379 313 V HA -0.174 3.946 4.120 -0.000 0.000 0.245 313 V C 2.344 178.462 176.094 0.040 0.000 1.044 313 V CA 1.209 63.539 62.300 0.050 0.000 1.036 313 V CB -0.431 31.415 31.823 0.038 0.000 0.664 313 V HN 0.162 nan 8.190 nan 0.000 0.453 314 L N 0.575 121.786 121.223 -0.019 0.000 2.131 314 L HA -0.072 4.268 4.340 -0.000 0.000 0.210 314 L C 2.533 179.262 176.870 -0.235 0.000 1.092 314 L CA 2.092 56.960 54.840 0.046 0.000 0.759 314 L CB -1.435 40.674 42.059 0.083 0.000 0.903 314 L HN 0.321 nan 8.230 nan 0.000 0.435 315 A N -1.345 121.052 122.820 -0.704 0.000 1.968 315 A HA -0.162 4.158 4.320 -0.000 0.000 0.217 315 A C 2.397 179.819 177.584 -0.269 0.000 1.169 315 A CA 1.184 52.833 52.037 -0.647 0.000 0.638 315 A CB -0.268 18.274 19.000 -0.763 0.000 0.812 315 A HN 0.320 nan 8.150 nan 0.000 0.446 316 K N -0.414 119.911 120.400 -0.125 0.000 2.062 316 K HA 0.006 4.326 4.320 -0.000 0.000 0.205 316 K C 2.283 178.858 176.600 -0.042 0.000 1.051 316 K CA 0.982 57.290 56.287 0.035 0.000 0.941 316 K CB -0.236 32.362 32.500 0.165 0.000 0.719 316 K HN 0.416 nan 8.250 nan 0.000 0.440 317 A N 1.640 124.417 122.820 -0.072 0.000 1.969 317 A HA -0.126 4.194 4.320 -0.000 0.000 0.218 317 A C 1.977 179.473 177.584 -0.146 0.000 1.169 317 A CA 0.907 52.810 52.037 -0.222 0.000 0.635 317 A CB -0.434 18.324 19.000 -0.404 0.000 0.810 317 A HN 0.235 nan 8.150 nan 0.000 0.445 318 L N -0.447 120.716 121.223 -0.100 0.000 2.093 318 L HA -0.072 4.268 4.340 -0.000 0.000 0.208 318 L C 2.383 179.098 176.870 -0.260 0.000 1.085 318 L CA 1.905 56.583 54.840 -0.269 0.000 0.755 318 L CB -0.810 40.859 42.059 -0.649 0.000 0.904 318 L HN 0.491 nan 8.230 nan 0.000 0.435 319 R N -0.693 119.638 120.500 -0.281 0.000 2.096 319 R HA -0.169 4.171 4.340 -0.000 0.000 0.235 319 R C 2.286 178.419 176.300 -0.279 0.000 1.127 319 R CA 1.661 57.553 56.100 -0.345 0.000 0.968 319 R CB -0.058 29.888 30.300 -0.590 0.000 0.861 319 R HN 0.352 nan 8.270 nan 0.000 0.440 320 M N -1.202 118.245 119.600 -0.254 0.000 2.193 320 M HA -0.085 4.395 4.480 -0.000 0.000 0.265 320 M C 2.392 178.636 176.300 -0.093 0.000 1.071 320 M CA 1.240 56.375 55.300 -0.276 0.000 1.140 320 M CB 0.061 32.313 32.600 -0.580 0.000 1.369 320 M HN 0.082 nan 8.290 nan 0.000 0.423 321 S N -0.540 115.116 115.700 -0.075 0.000 2.371 321 S HA 0.143 4.613 4.470 -0.000 0.000 0.224 321 S C 0.712 175.309 174.600 -0.005 0.000 1.029 321 S CA 1.133 59.354 58.200 0.035 0.000 0.978 321 S CB -0.145 63.127 63.200 0.120 0.000 0.833 321 S HN 0.635 nan 8.310 nan 0.000 0.466 322 G N -1.176 107.583 108.800 -0.070 0.000 3.239 322 G HA2 0.415 4.375 3.960 -0.000 0.000 0.666 322 G HA3 0.415 4.375 3.960 -0.000 0.000 0.666 322 G C -0.376 174.459 174.900 -0.108 0.000 1.313 322 G CA -0.510 44.542 45.100 -0.080 0.000 1.001 322 G HN 0.849 nan 8.290 nan 0.000 0.573 323 G N 0.362 109.081 108.800 -0.135 0.000 2.632 323 G HA2 0.633 4.593 3.960 -0.000 0.000 0.292 323 G HA3 0.633 4.593 3.960 -0.000 0.000 0.292 323 G C -0.225 174.606 174.900 -0.115 0.000 1.465 323 G CA 0.163 45.179 45.100 -0.140 0.000 0.824 323 G HN 0.332 nan 8.290 nan 0.000 0.509 324 D N -0.719 119.630 120.400 -0.085 0.000 2.338 324 D HA 0.116 4.756 4.640 -0.000 0.000 0.208 324 D C 0.243 176.592 176.300 0.082 0.000 0.997 324 D CA 0.867 54.863 54.000 -0.006 0.000 0.880 324 D CB 0.423 41.249 40.800 0.043 0.000 0.980 324 D HN 0.513 nan 8.370 nan 0.000 0.509 325 H N -0.394 118.548 119.070 -0.213 0.000 2.637 325 H HA 0.612 5.168 4.556 0.000 0.000 0.363 325 H C -0.738 174.387 175.328 -0.338 0.000 1.131 325 H CA -0.729 55.163 56.048 -0.259 0.000 1.183 325 H CB 3.063 32.663 29.762 -0.269 0.000 1.637 325 H HN -0.113 nan 8.280 nan 0.000 0.531 326 I N 1.395 121.866 120.570 -0.165 0.000 2.827 326 I HA 0.134 4.304 4.170 -0.000 0.000 0.298 326 I C -0.594 175.460 176.117 -0.105 0.000 1.235 326 I CA -0.682 60.505 61.300 -0.188 0.000 1.021 326 I CB 2.334 40.236 38.000 -0.164 0.000 1.259 326 I HN 0.699 nan 8.210 nan 0.000 0.427 327 H N 5.363 124.266 119.070 -0.278 0.000 3.145 327 H HA 0.088 4.644 4.556 -0.000 0.000 0.263 327 H C 0.426 175.638 175.328 -0.195 0.000 1.057 327 H CA 0.165 56.052 56.048 -0.268 0.000 1.477 327 H CB 0.919 30.431 29.762 -0.417 0.000 1.529 327 H HN 0.534 nan 8.280 nan 0.000 0.508 328 S N 2.610 118.261 115.700 -0.081 0.000 2.517 328 S HA 0.164 4.634 4.470 -0.000 0.000 0.214 328 S C 1.252 175.899 174.600 0.078 0.000 0.991 328 S CA 0.322 58.582 58.200 0.100 0.000 0.906 328 S CB 0.730 64.080 63.200 0.250 0.000 0.789 328 S HN 1.067 nan 8.310 nan 0.000 0.513 329 G N 0.607 109.367 108.800 -0.067 0.000 2.416 329 G HA2 -0.050 3.910 3.960 -0.000 0.000 0.203 329 G HA3 -0.050 3.910 3.960 -0.000 0.000 0.203 329 G C -0.376 174.532 174.900 0.013 0.000 1.227 329 G CA -0.248 44.840 45.100 -0.020 0.000 1.041 329 G HN 0.428 nan 8.290 nan 0.000 0.546 330 T N -1.671 112.922 114.554 0.065 0.000 2.883 330 T HA 0.632 4.982 4.350 -0.000 0.000 0.301 330 T C 1.096 175.852 174.700 0.094 0.000 1.158 330 T CA 0.831 62.977 62.100 0.076 0.000 1.007 330 T CB 1.550 70.397 68.868 -0.035 0.000 1.186 330 T HN 2.015 nan 8.240 nan 0.000 0.499 331 V N 0.874 120.837 119.914 0.081 0.000 3.661 331 V HA 0.471 4.591 4.120 -0.000 0.000 0.271 331 V C 0.802 176.897 176.094 0.002 0.000 1.315 331 V CA -0.006 62.295 62.300 0.003 0.000 1.072 331 V CB -0.003 31.754 31.823 -0.110 0.000 0.830 331 V HN 0.581 nan 8.190 nan 0.000 0.443 332 V N 3.659 123.561 119.914 -0.019 0.000 2.506 332 V HA 0.401 4.521 4.120 -0.000 0.000 0.296 332 V C 1.613 177.717 176.094 0.017 0.000 1.004 332 V CA 1.627 63.901 62.300 -0.044 0.000 1.150 332 V CB -0.514 31.139 31.823 -0.283 0.000 0.911 332 V HN 1.081 nan 8.190 nan 0.000 0.476 333 G N 4.177 113.023 108.800 0.076 0.000 2.182 333 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.248 333 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.248 333 G C -0.051 174.881 174.900 0.052 0.000 1.042 333 G CA 0.160 45.308 45.100 0.079 0.000 0.775 333 G HN 0.640 nan 8.290 nan 0.000 0.501 334 K N -0.697 119.727 120.400 0.039 0.000 2.324 334 K HA 0.620 4.940 4.320 -0.000 0.000 0.253 334 K C 0.189 176.800 176.600 0.020 0.000 0.932 334 K CA -1.003 55.300 56.287 0.027 0.000 0.799 334 K CB 2.232 34.741 32.500 0.016 0.000 1.154 334 K HN 0.144 nan 8.250 nan 0.000 0.425 335 L N 2.478 123.714 121.223 0.021 0.000 2.452 335 L HA 0.017 4.357 4.340 -0.000 0.000 0.267 335 L C 1.707 178.577 176.870 0.001 0.000 1.188 335 L CA 0.382 55.230 54.840 0.015 0.000 0.821 335 L CB 0.639 42.709 42.059 0.018 0.000 1.102 335 L HN 0.707 nan 8.230 nan 0.000 0.470 336 E N 2.380 122.577 120.200 -0.004 0.000 2.219 336 E HA -0.204 4.146 4.350 -0.000 0.000 0.198 336 E C 1.525 178.114 176.600 -0.018 0.000 0.998 336 E CA 1.416 57.806 56.400 -0.017 0.000 0.818 336 E CB 0.039 29.731 29.700 -0.013 0.000 0.741 336 E HN 0.993 nan 8.360 nan 0.000 0.477 337 G N 0.630 109.426 108.800 -0.006 0.000 2.408 337 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.217 337 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.217 337 G C 1.426 176.328 174.900 0.003 0.000 1.150 337 G CA 0.667 45.766 45.100 -0.002 0.000 0.776 337 G HN 0.301 nan 8.290 nan 0.000 0.542 338 E N -0.111 120.095 120.200 0.010 0.000 2.028 338 E HA -0.032 4.318 4.350 -0.000 0.000 0.190 338 E C 2.522 179.113 176.600 -0.014 0.000 0.984 338 E CA 0.383 56.797 56.400 0.024 0.000 0.800 338 E CB -0.196 29.524 29.700 0.034 0.000 0.758 338 E HN 0.161 nan 8.360 nan 0.000 0.448 339 R N 1.366 121.841 120.500 -0.041 0.000 2.133 339 R HA -0.228 4.112 4.340 -0.000 0.000 0.247 339 R C 1.073 177.301 176.300 -0.121 0.000 1.151 339 R CA 1.874 57.916 56.100 -0.096 0.000 0.971 339 R CB -0.323 29.924 30.300 -0.088 0.000 0.866 339 R HN 0.198 nan 8.270 nan 0.000 0.447 340 D N 0.341 120.692 120.400 -0.082 0.000 2.149 340 D HA -0.075 4.565 4.640 -0.000 0.000 0.201 340 D C 2.025 178.271 176.300 -0.090 0.000 0.972 340 D CA 0.981 54.931 54.000 -0.083 0.000 0.835 340 D CB -0.153 40.615 40.800 -0.053 0.000 0.966 340 D HN 0.329 nan 8.370 nan 0.000 0.476 341 I N 0.893 121.430 120.570 -0.054 0.000 2.394 341 I HA -0.197 3.973 4.170 -0.000 0.000 0.251 341 I C 2.158 178.141 176.117 -0.223 0.000 1.136 341 I CA 0.862 62.148 61.300 -0.025 0.000 1.425 341 I CB -0.297 37.773 38.000 0.117 0.000 1.079 341 I HN -0.028 nan 8.210 nan 0.000 0.425 342 T N 1.294 115.642 114.554 -0.343 0.000 2.701 342 T HA -0.126 4.224 4.350 -0.000 0.000 0.263 342 T C 1.827 176.096 174.700 -0.718 0.000 1.040 342 T CA 1.218 62.843 62.100 -0.792 0.000 1.147 342 T CB -0.183 68.480 68.868 -0.342 0.000 0.865 342 T HN 0.090 nan 8.240 nan 0.000 0.426 343 L N 1.085 122.093 121.223 -0.359 0.000 2.275 343 L HA 0.138 4.478 4.340 -0.000 0.000 0.215 343 L C 2.573 179.351 176.870 -0.155 0.000 1.119 343 L CA 1.102 55.806 54.840 -0.227 0.000 0.790 343 L CB -1.177 40.776 42.059 -0.177 0.000 0.919 343 L HN 0.321 nan 8.230 nan 0.000 0.443 344 G N 0.063 108.776 108.800 -0.145 0.000 2.453 344 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.215 344 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.215 344 G C 1.413 176.362 174.900 0.083 0.000 1.201 344 G CA 1.042 46.133 45.100 -0.015 0.000 0.784 344 G HN 0.474 nan 8.290 nan 0.000 0.545 345 F N 0.856 120.903 119.950 0.161 0.000 2.407 345 F HA 0.199 4.726 4.527 0.000 0.000 0.299 345 F C 2.231 178.128 175.800 0.163 0.000 1.097 345 F CA 0.080 58.188 58.000 0.181 0.000 1.422 345 F CB -1.020 38.132 39.000 0.252 0.000 1.067 345 F HN 0.001 nan 8.300 nan 0.000 0.539 346 V N 1.438 121.487 119.914 0.225 0.000 2.332 346 V HA -0.291 3.829 4.120 -0.000 0.000 0.248 346 V C 2.125 178.324 176.094 0.175 0.000 1.055 346 V CA 2.428 64.881 62.300 0.256 0.000 1.038 346 V CB -0.725 31.214 31.823 0.194 0.000 0.651 346 V HN 0.265 nan 8.190 nan 0.000 0.450 347 D N -0.279 120.201 120.400 0.133 0.000 2.144 347 D HA -0.078 4.562 4.640 -0.000 0.000 0.200 347 D C 2.111 178.509 176.300 0.164 0.000 0.978 347 D CA 0.916 54.989 54.000 0.122 0.000 0.833 347 D CB -0.200 40.658 40.800 0.096 0.000 0.961 347 D HN 0.331 nan 8.370 nan 0.000 0.470 348 L N 0.171 121.526 121.223 0.220 0.000 2.131 348 L HA -0.132 4.208 4.340 -0.000 0.000 0.210 348 L C 2.340 179.307 176.870 0.162 0.000 1.092 348 L CA 0.592 55.620 54.840 0.313 0.000 0.759 348 L CB -0.173 42.090 42.059 0.340 0.000 0.903 348 L HN 0.084 nan 8.230 nan 0.000 0.435 349 L N -0.921 120.347 121.223 0.076 0.000 2.068 349 L HA -0.135 4.205 4.340 -0.000 0.000 0.204 349 L C 2.636 179.430 176.870 -0.126 0.000 1.076 349 L CA 1.194 55.987 54.840 -0.078 0.000 0.753 349 L CB -0.323 41.739 42.059 0.006 0.000 0.910 349 L HN 0.157 nan 8.230 nan 0.000 0.439 350 R N -0.675 119.809 120.500 -0.027 0.000 2.161 350 R HA 0.037 4.377 4.340 -0.000 0.000 0.213 350 R C -0.126 176.167 176.300 -0.012 0.000 1.055 350 R CA 0.323 56.405 56.100 -0.029 0.000 0.996 350 R CB -0.032 30.280 30.300 0.021 0.000 0.901 350 R HN 0.236 nan 8.270 nan 0.000 0.456 351 D N -0.203 120.227 120.400 0.050 0.000 2.229 351 D HA 0.012 4.652 4.640 -0.000 0.000 0.249 351 D C 0.300 176.747 176.300 0.246 0.000 1.027 351 D CA -0.344 53.735 54.000 0.132 0.000 0.923 351 D CB 1.349 42.245 40.800 0.161 0.000 1.174 351 D HN -0.161 nan 8.370 nan 0.000 0.443 352 D N -0.172 120.384 120.400 0.261 0.000 2.183 352 D HA -0.068 4.572 4.640 -0.000 0.000 0.205 352 D C -0.403 176.174 176.300 0.461 0.000 0.962 352 D CA 0.460 54.675 54.000 0.358 0.000 0.849 352 D CB 0.183 41.133 40.800 0.250 0.000 0.978 352 D HN 0.192 nan 8.370 nan 0.000 0.488 353 F N 0.767 120.827 119.950 0.183 0.000 2.477 353 F HA 0.483 5.010 4.527 -0.000 0.000 0.335 353 F C -1.139 174.732 175.800 0.119 0.000 1.130 353 F CA -1.026 57.046 58.000 0.119 0.000 0.948 353 F CB 1.667 40.713 39.000 0.076 0.000 1.154 353 F HN -0.357 nan 8.300 nan 0.000 0.439 354 V N 5.884 125.584 119.914 -0.357 0.000 2.407 354 V HA 0.338 4.458 4.120 -0.000 0.000 0.291 354 V C -0.309 175.568 176.094 -0.361 0.000 1.018 354 V CA -0.816 61.367 62.300 -0.195 0.000 0.842 354 V CB 1.443 33.263 31.823 -0.006 0.000 0.996 354 V HN 0.568 nan 8.190 nan 0.000 0.426 355 E N 2.812 122.869 120.200 -0.238 0.000 2.343 355 E HA 0.150 4.500 4.350 -0.000 0.000 0.269 355 E C 0.111 176.659 176.600 -0.087 0.000 1.047 355 E CA -0.265 56.031 56.400 -0.173 0.000 0.874 355 E CB 1.054 30.736 29.700 -0.030 0.000 1.033 355 E HN 0.720 nan 8.360 nan 0.000 0.409 356 Q N 1.992 121.752 119.800 -0.066 0.000 2.283 356 Q HA -0.115 4.225 4.340 -0.000 0.000 0.301 356 Q C -0.883 175.084 176.000 -0.056 0.000 1.063 356 Q CA 0.791 56.569 55.803 -0.042 0.000 0.952 356 Q CB 0.328 29.050 28.738 -0.027 0.000 1.166 356 Q HN 0.292 nan 8.270 nan 0.000 0.381 357 D N 3.349 123.702 120.400 -0.079 0.000 2.445 357 D HA 0.160 4.800 4.640 -0.000 0.000 0.236 357 D C -0.006 176.208 176.300 -0.144 0.000 1.315 357 D CA -0.422 53.526 54.000 -0.086 0.000 0.924 357 D CB 0.504 41.272 40.800 -0.052 0.000 1.447 357 D HN 0.604 nan 8.370 nan 0.000 0.532 358 R N 0.850 121.224 120.500 -0.211 0.000 2.211 358 R HA -0.122 4.218 4.340 -0.000 0.000 0.240 358 R C 1.973 178.136 176.300 -0.229 0.000 1.144 358 R CA 1.676 57.573 56.100 -0.338 0.000 0.992 358 R CB -0.156 29.937 30.300 -0.345 0.000 0.869 358 R HN 0.393 nan 8.270 nan 0.000 0.462 359 S N 0.495 116.113 115.700 -0.136 0.000 2.359 359 S HA -0.191 4.279 4.470 -0.000 0.000 0.222 359 S C 1.356 175.907 174.600 -0.081 0.000 1.038 359 S CA 1.281 59.426 58.200 -0.091 0.000 1.051 359 S CB -0.065 63.098 63.200 -0.062 0.000 0.944 359 S HN 0.415 nan 8.310 nan 0.000 0.433 360 R N 0.545 121.002 120.500 -0.071 0.000 2.555 360 R HA 0.297 4.637 4.340 -0.000 0.000 0.272 360 R C 1.348 177.629 176.300 -0.032 0.000 1.089 360 R CA 0.426 56.499 56.100 -0.046 0.000 1.126 360 R CB -0.346 29.930 30.300 -0.041 0.000 1.250 360 R HN 0.632 nan 8.270 nan 0.000 0.551 361 G N 1.439 110.191 108.800 -0.079 0.000 2.168 361 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.263 361 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.263 361 G C 0.309 175.236 174.900 0.044 0.000 0.977 361 G CA -0.164 44.913 45.100 -0.038 0.000 0.659 361 G HN 0.396 nan 8.290 nan 0.000 0.533 362 I N 1.547 122.109 120.570 -0.013 0.000 2.349 362 I HA 0.181 4.351 4.170 -0.000 0.000 0.302 362 I C 1.497 177.608 176.117 -0.011 0.000 1.180 362 I CA -0.603 60.732 61.300 0.058 0.000 1.405 362 I CB -0.121 37.895 38.000 0.026 0.000 1.474 362 I HN 0.119 nan 8.210 nan 0.000 0.632 363 Y N 4.357 124.609 120.300 -0.080 0.000 2.483 363 Y HA -0.025 4.525 4.550 0.000 0.000 0.291 363 Y C 0.406 176.069 175.900 -0.396 0.000 1.143 363 Y CA 0.942 58.891 58.100 -0.252 0.000 1.289 363 Y CB -0.257 37.948 38.460 -0.425 0.000 0.983 363 Y HN 0.289 nan 8.280 nan 0.000 0.556 364 F N -2.135 117.911 119.950 0.160 0.000 2.601 364 F HA 0.355 4.882 4.527 0.000 0.000 0.309 364 F C 0.230 176.009 175.800 -0.035 0.000 1.089 364 F CA -1.573 56.474 58.000 0.078 0.000 0.940 364 F CB 1.165 40.206 39.000 0.068 0.000 1.273 364 F HN -0.506 nan 8.300 nan 0.000 0.450 365 T N 1.485 116.108 114.554 0.115 0.000 2.918 365 T HA 0.332 4.682 4.350 -0.000 0.000 0.302 365 T C -0.679 173.903 174.700 -0.198 0.000 1.045 365 T CA -0.122 61.905 62.100 -0.122 0.000 1.114 365 T CB 0.903 69.670 68.868 -0.168 0.000 0.965 365 T HN 0.428 nan 8.240 nan 0.000 0.540 366 Q N 1.953 121.518 119.800 -0.391 0.000 2.292 366 Q HA 0.324 4.664 4.340 -0.000 0.000 0.270 366 Q C -1.691 173.996 176.000 -0.521 0.000 1.024 366 Q CA -0.595 54.925 55.803 -0.473 0.000 0.768 366 Q CB 1.380 29.793 28.738 -0.542 0.000 1.250 366 Q HN 0.458 nan 8.270 nan 0.000 0.447 367 D N 2.844 123.041 120.400 -0.340 0.000 2.232 367 D HA 0.199 4.839 4.640 -0.000 0.000 0.242 367 D C -0.404 175.780 176.300 -0.193 0.000 1.093 367 D CA -0.195 53.792 54.000 -0.022 0.000 0.845 367 D CB 0.655 41.574 40.800 0.198 0.000 1.124 367 D HN 0.726 nan 8.370 nan 0.000 0.467 368 W N 2.712 124.078 121.300 0.110 0.000 3.278 368 W HA 0.054 4.714 4.660 -0.000 0.000 0.308 368 W C 0.960 177.516 176.519 0.062 0.000 1.253 368 W CA -0.452 56.928 57.345 0.058 0.000 1.759 368 W CB 0.137 29.621 29.460 0.041 0.000 1.093 368 W HN 0.332 nan 8.180 nan 0.000 0.648 369 V N -0.237 119.824 119.914 0.245 0.000 5.562 369 V HA -0.400 3.720 4.120 -0.000 0.000 0.232 369 V C 0.758 176.946 176.094 0.157 0.000 0.694 369 V CA 0.660 63.060 62.300 0.167 0.000 0.574 369 V CB -2.441 29.457 31.823 0.124 0.000 0.230 369 V HN 0.452 nan 8.190 nan 0.000 0.568 370 S N -2.111 113.688 115.700 0.165 0.000 3.257 370 S HA -0.255 4.215 4.470 -0.000 0.000 0.300 370 S C 0.456 175.116 174.600 0.101 0.000 1.275 370 S CA 1.209 59.483 58.200 0.123 0.000 1.023 370 S CB -1.218 62.033 63.200 0.085 0.000 1.180 370 S HN 1.338 nan 8.310 nan 0.000 0.660 371 L N 2.456 123.756 121.223 0.127 0.000 2.525 371 L HA 0.174 4.514 4.340 -0.000 0.000 0.278 371 L C -1.673 175.174 176.870 -0.039 0.000 1.218 371 L CA -0.740 54.127 54.840 0.044 0.000 0.878 371 L CB 0.160 42.240 42.059 0.034 0.000 1.127 371 L HN -0.049 nan 8.230 nan 0.000 0.492 372 P HA 0.183 nan 4.420 nan 0.000 0.270 372 P C -0.483 176.729 177.300 -0.145 0.000 1.223 372 P CA -0.347 62.713 63.100 -0.066 0.000 0.785 372 P CB 0.534 32.210 31.700 -0.041 0.000 0.923 373 G N 0.213 108.945 108.800 -0.113 0.000 2.412 373 G HA2 0.478 4.438 3.960 -0.000 0.000 0.318 373 G HA3 0.478 4.438 3.960 -0.000 0.000 0.318 373 G C -0.902 173.929 174.900 -0.115 0.000 1.146 373 G CA -0.535 44.474 45.100 -0.153 0.000 0.882 373 G HN 0.341 nan 8.290 nan 0.000 0.501 374 V N 2.404 122.230 119.914 -0.148 0.000 2.406 374 V HA 0.184 4.304 4.120 -0.000 0.000 0.272 374 V C 0.282 176.320 176.094 -0.094 0.000 1.043 374 V CA -0.688 61.539 62.300 -0.122 0.000 0.915 374 V CB 1.102 32.824 31.823 -0.169 0.000 0.988 374 V HN 0.606 nan 8.190 nan 0.000 0.466 375 L N 9.840 131.008 121.223 -0.091 0.000 2.410 375 L HA 0.439 4.779 4.340 -0.000 0.000 0.273 375 L C -1.972 174.789 176.870 -0.183 0.000 1.144 375 L CA -0.939 53.818 54.840 -0.138 0.000 0.863 375 L CB 0.876 42.816 42.059 -0.199 0.000 1.140 375 L HN 0.451 nan 8.230 nan 0.000 0.463 376 P HA 0.229 nan 4.420 nan 0.000 0.290 376 P C -1.486 175.606 177.300 -0.345 0.000 1.275 376 P CA -0.422 62.561 63.100 -0.196 0.000 0.841 376 P CB 1.730 33.376 31.700 -0.090 0.000 1.042 377 V N 1.890 121.595 119.914 -0.349 0.000 2.384 377 V HA 0.558 4.678 4.120 -0.000 0.000 0.287 377 V C 0.557 176.342 176.094 -0.515 0.000 1.020 377 V CA -0.916 61.128 62.300 -0.426 0.000 0.850 377 V CB 0.928 32.503 31.823 -0.413 0.000 0.987 377 V HN 0.700 nan 8.190 nan 0.000 0.436 378 A N 4.353 126.830 122.820 -0.572 0.000 2.252 378 A HA 0.793 5.113 4.320 -0.000 0.000 0.309 378 A C 0.388 177.727 177.584 -0.407 0.000 1.285 378 A CA -0.264 51.474 52.037 -0.499 0.000 0.900 378 A CB 0.352 18.976 19.000 -0.627 0.000 1.157 378 A HN 1.010 nan 8.150 nan 0.000 0.536 379 S N 1.301 116.802 115.700 -0.331 0.000 2.671 379 S HA 0.891 5.361 4.470 -0.000 0.000 0.299 379 S C 0.201 174.693 174.600 -0.179 0.000 1.116 379 S CA -0.398 57.636 58.200 -0.276 0.000 0.912 379 S CB 1.155 64.211 63.200 -0.240 0.000 1.130 379 S HN 2.431 nan 8.310 nan 0.000 0.501 380 G N -0.658 108.056 108.800 -0.144 0.000 3.347 380 G HA2 0.364 4.324 3.960 -0.000 0.000 0.597 380 G HA3 0.364 4.324 3.960 -0.000 0.000 0.597 380 G C 0.978 175.802 174.900 -0.126 0.000 0.831 380 G CA 0.140 45.182 45.100 -0.096 0.000 0.778 380 G HN 2.445 nan 8.290 nan 0.000 0.459 381 G N 1.178 109.893 108.800 -0.142 0.000 2.199 381 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.254 381 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.254 381 G C 0.686 175.419 174.900 -0.277 0.000 0.982 381 G CA 0.393 45.412 45.100 -0.136 0.000 0.632 381 G HN 1.588 nan 8.290 nan 0.000 0.529 382 I N 2.091 122.454 120.570 -0.346 0.000 2.556 382 I HA 0.319 4.489 4.170 -0.000 0.000 0.284 382 I C 0.758 176.697 176.117 -0.297 0.000 1.114 382 I CA -0.005 61.074 61.300 -0.369 0.000 1.418 382 I CB 0.422 38.147 38.000 -0.458 0.000 1.394 382 I HN 0.118 nan 8.210 nan 0.000 0.552 383 H N 4.097 123.158 119.070 -0.015 0.000 2.894 383 H HA 0.213 4.769 4.556 0.000 0.000 0.368 383 H C 0.808 175.929 175.328 -0.345 0.000 1.181 383 H CA -0.723 55.145 56.048 -0.300 0.000 1.146 383 H CB 2.135 31.233 29.762 -1.108 0.000 1.839 383 H HN 0.291 nan 8.280 nan 0.000 0.557 384 V N 0.487 120.195 119.914 -0.342 0.000 2.250 384 V HA -0.332 3.788 4.120 -0.000 0.000 0.250 384 V C 2.112 178.035 176.094 -0.284 0.000 1.060 384 V CA 2.706 64.836 62.300 -0.284 0.000 1.030 384 V CB -0.837 30.821 31.823 -0.275 0.000 0.643 384 V HN 0.906 nan 8.190 nan 0.000 0.445 385 W N 0.511 121.577 121.300 -0.391 0.000 2.538 385 W HA -0.081 4.579 4.660 0.000 0.000 0.254 385 W C 1.816 178.128 176.519 -0.344 0.000 1.249 385 W CA 0.851 57.803 57.345 -0.655 0.000 1.253 385 W CB -1.421 27.195 29.460 -1.407 0.000 1.130 385 W HN 0.343 nan 8.180 nan 0.000 0.618 386 H N -0.143 118.801 119.070 -0.209 0.000 2.556 386 H HA 0.063 4.619 4.556 0.000 0.000 0.268 386 H C 1.858 177.202 175.328 0.028 0.000 0.996 386 H CA 1.008 57.045 56.048 -0.019 0.000 1.157 386 H CB -0.177 29.558 29.762 -0.045 0.000 1.355 386 H HN 0.084 nan 8.280 nan 0.000 0.597 387 M N 1.212 120.877 119.600 0.109 0.000 2.065 387 M HA -0.058 4.422 4.480 -0.000 0.000 0.259 387 M C -0.830 175.536 176.300 0.110 0.000 1.071 387 M CA 1.583 56.954 55.300 0.118 0.000 1.109 387 M CB -0.628 32.017 32.600 0.075 0.000 1.313 387 M HN 0.117 nan 8.290 nan 0.000 0.408 388 P HA -0.124 nan 4.420 nan 0.000 0.216 388 P C 1.017 178.374 177.300 0.095 0.000 1.153 388 P CA 2.167 65.324 63.100 0.094 0.000 0.858 388 P CB -0.320 31.438 31.700 0.097 0.000 0.789 389 A N -0.616 122.269 122.820 0.108 0.000 1.877 389 A HA -0.161 4.159 4.320 -0.000 0.000 0.216 389 A C 2.217 179.839 177.584 0.064 0.000 1.186 389 A CA 1.523 53.611 52.037 0.086 0.000 0.620 389 A CB -1.660 17.408 19.000 0.113 0.000 0.822 389 A HN 0.105 nan 8.150 nan 0.000 0.443 390 L N -0.693 120.597 121.223 0.112 0.000 2.017 390 L HA -0.154 4.186 4.340 -0.000 0.000 0.208 390 L C 2.708 179.686 176.870 0.181 0.000 1.073 390 L CA 1.742 56.691 54.840 0.180 0.000 0.745 390 L CB -1.106 41.070 42.059 0.196 0.000 0.894 390 L HN 0.323 nan 8.230 nan 0.000 0.432 391 T N -0.992 113.643 114.554 0.134 0.000 2.849 391 T HA -0.215 4.135 4.350 -0.000 0.000 0.270 391 T C 1.744 176.497 174.700 0.090 0.000 1.066 391 T CA 1.556 63.725 62.100 0.116 0.000 1.130 391 T CB -0.105 68.821 68.868 0.097 0.000 0.864 391 T HN 0.415 nan 8.240 nan 0.000 0.481 392 E N 0.802 121.038 120.200 0.059 0.000 2.110 392 E HA 0.029 4.379 4.350 -0.000 0.000 0.193 392 E C 2.218 178.805 176.600 -0.022 0.000 0.950 392 E CA 0.361 56.777 56.400 0.026 0.000 0.840 392 E CB -0.186 29.529 29.700 0.025 0.000 0.809 392 E HN 0.437 nan 8.360 nan 0.000 0.465 393 I N 0.395 120.911 120.570 -0.090 0.000 2.208 393 I HA -0.252 3.918 4.170 -0.000 0.000 0.245 393 I C 1.955 177.886 176.117 -0.310 0.000 1.097 393 I CA 1.418 62.560 61.300 -0.263 0.000 1.363 393 I CB -0.174 37.562 38.000 -0.439 0.000 1.051 393 I HN 0.083 nan 8.210 nan 0.000 0.413 394 F N -0.337 119.608 119.950 -0.009 0.000 2.602 394 F HA 0.387 4.914 4.527 0.000 0.000 0.284 394 F C 1.582 177.381 175.800 -0.002 0.000 1.111 394 F CA 0.588 58.579 58.000 -0.015 0.000 1.405 394 F CB -0.471 38.512 39.000 -0.029 0.000 1.121 394 F HN 0.109 nan 8.300 nan 0.000 0.603 395 G N 0.685 109.590 108.800 0.176 0.000 2.693 395 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.226 395 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.226 395 G C 0.190 175.155 174.900 0.109 0.000 1.354 395 G CA 0.021 45.190 45.100 0.116 0.000 0.873 395 G HN 0.119 nan 8.290 nan 0.000 0.562 396 D N 0.486 120.936 120.400 0.083 0.000 2.224 396 D HA 0.058 4.698 4.640 -0.000 0.000 0.205 396 D C 0.700 177.032 176.300 0.052 0.000 0.965 396 D CA 1.278 55.320 54.000 0.070 0.000 0.852 396 D CB -0.032 40.811 40.800 0.072 0.000 0.947 396 D HN 0.367 nan 8.370 nan 0.000 0.494 397 D N 0.638 121.069 120.400 0.051 0.000 2.524 397 D HA 0.228 4.868 4.640 -0.000 0.000 0.222 397 D C -0.141 176.147 176.300 -0.021 0.000 1.142 397 D CA -0.010 54.001 54.000 0.018 0.000 0.973 397 D CB 0.285 41.101 40.800 0.027 0.000 1.025 397 D HN -0.021 nan 8.370 nan 0.000 0.519 398 S N -1.095 114.567 115.700 -0.063 0.000 2.587 398 S HA 0.535 5.005 4.470 -0.000 0.000 0.269 398 S C -0.988 173.503 174.600 -0.182 0.000 1.154 398 S CA -0.924 57.173 58.200 -0.172 0.000 0.824 398 S CB 1.516 64.569 63.200 -0.245 0.000 1.118 398 S HN -0.059 nan 8.310 nan 0.000 0.462 399 V N 1.775 121.528 119.914 -0.269 0.000 2.417 399 V HA 0.494 4.614 4.120 -0.000 0.000 0.291 399 V C -0.703 175.242 176.094 -0.247 0.000 1.024 399 V CA -0.613 61.570 62.300 -0.194 0.000 0.861 399 V CB 1.154 32.824 31.823 -0.254 0.000 0.985 399 V HN 0.785 nan 8.190 nan 0.000 0.436 400 L N 4.635 125.746 121.223 -0.188 0.000 2.287 400 L HA 0.568 4.908 4.340 -0.000 0.000 0.287 400 L C -0.332 176.274 176.870 -0.439 0.000 1.022 400 L CA -0.479 54.150 54.840 -0.352 0.000 0.814 400 L CB 1.582 43.484 42.059 -0.263 0.000 1.217 400 L HN 0.581 nan 8.230 nan 0.000 0.420 401 Q N 3.547 123.016 119.800 -0.550 0.000 2.425 401 Q HA 0.418 4.758 4.340 -0.000 0.000 0.254 401 Q C -1.467 174.238 176.000 -0.491 0.000 1.032 401 Q CA -0.207 55.377 55.803 -0.366 0.000 0.798 401 Q CB 0.661 29.256 28.738 -0.238 0.000 1.210 401 Q HN 0.323 nan 8.270 nan 0.000 0.491 402 F N 2.442 122.329 119.950 -0.105 0.000 2.404 402 F HA 0.477 5.004 4.527 -0.000 0.000 0.358 402 F C 1.286 177.014 175.800 -0.120 0.000 1.120 402 F CA -0.340 57.575 58.000 -0.141 0.000 1.144 402 F CB 1.343 40.253 39.000 -0.150 0.000 1.133 402 F HN 0.689 nan 8.300 nan 0.000 0.495 403 G N 1.953 110.754 108.800 0.002 0.000 2.610 403 G HA2 0.043 4.003 3.960 -0.000 0.000 0.215 403 G HA3 0.043 4.003 3.960 -0.000 0.000 0.215 403 G C 1.732 176.627 174.900 -0.009 0.000 1.243 403 G CA 0.457 45.556 45.100 -0.002 0.000 0.847 403 G HN 0.806 nan 8.290 nan 0.000 0.560 404 G N 0.536 109.312 108.800 -0.040 0.000 2.509 404 G HA2 0.170 4.130 3.960 -0.000 0.000 0.218 404 G HA3 0.170 4.130 3.960 -0.000 0.000 0.218 404 G C 1.596 176.464 174.900 -0.053 0.000 1.124 404 G CA 1.349 46.425 45.100 -0.040 0.000 0.776 404 G HN 0.622 nan 8.290 nan 0.000 0.547 405 G N 0.973 109.732 108.800 -0.068 0.000 2.414 405 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.215 405 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.215 405 G C 1.994 176.853 174.900 -0.068 0.000 1.188 405 G CA 2.145 47.206 45.100 -0.065 0.000 0.783 405 G HN 0.494 nan 8.290 nan 0.000 0.537 406 T N 0.299 114.818 114.554 -0.057 0.000 2.668 406 T HA 0.027 4.377 4.350 -0.000 0.000 0.262 406 T C 2.425 177.097 174.700 -0.046 0.000 1.045 406 T CA 1.101 63.144 62.100 -0.095 0.000 1.152 406 T CB -0.459 68.373 68.868 -0.060 0.000 0.864 406 T HN 0.107 nan 8.240 nan 0.000 0.419 407 L N 1.184 122.396 121.223 -0.019 0.000 1.988 407 L HA 0.079 4.419 4.340 -0.000 0.000 0.207 407 L C 3.252 180.143 176.870 0.036 0.000 1.071 407 L CA 1.745 56.584 54.840 -0.001 0.000 0.744 407 L CB -1.460 40.593 42.059 -0.011 0.000 0.893 407 L HN 0.519 nan 8.230 nan 0.000 0.433 408 G N -1.626 107.198 108.800 0.040 0.000 2.501 408 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.220 408 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.220 408 G C 0.794 175.743 174.900 0.082 0.000 1.114 408 G CA 0.064 45.202 45.100 0.063 0.000 0.757 408 G HN 0.378 nan 8.290 nan 0.000 0.559 409 H N 1.685 120.740 119.070 -0.026 0.000 2.928 409 H HA 0.055 4.611 4.556 0.000 0.000 0.338 409 H C -0.995 174.330 175.328 -0.005 0.000 1.047 409 H CA -0.934 55.082 56.048 -0.053 0.000 1.435 409 H CB 1.888 31.580 29.762 -0.117 0.000 1.428 409 H HN 0.071 nan 8.280 nan 0.000 0.590 410 P HA -0.099 nan 4.420 nan 0.000 0.220 410 P C 0.918 178.396 177.300 0.298 0.000 1.152 410 P CA 0.790 63.910 63.100 0.034 0.000 0.812 410 P CB 0.083 31.751 31.700 -0.054 0.000 0.792 411 W N 1.123 122.540 121.300 0.195 0.000 3.077 411 W HA 0.408 5.068 4.660 -0.000 0.000 0.245 411 W C 1.204 177.816 176.519 0.156 0.000 1.316 411 W CA 0.926 58.390 57.345 0.199 0.000 1.537 411 W CB -1.032 28.575 29.460 0.244 0.000 1.131 411 W HN 0.089 nan 8.180 nan 0.000 0.695 412 G N 0.960 109.971 108.800 0.351 0.000 2.479 412 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.686 412 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.686 412 G C 0.467 175.405 174.900 0.064 0.000 1.295 412 G CA -0.232 44.966 45.100 0.163 0.000 0.922 412 G HN 0.071 nan 8.290 nan 0.000 0.582 413 N N -0.425 118.272 118.700 -0.006 0.000 2.392 413 N HA 0.270 5.010 4.740 -0.000 0.000 0.177 413 N C 2.208 177.639 175.510 -0.131 0.000 1.066 413 N CA 1.842 54.846 53.050 -0.076 0.000 0.895 413 N CB -0.405 38.041 38.487 -0.068 0.000 0.988 413 N HN 1.278 nan 8.380 nan 0.000 0.457 414 A N 2.165 124.913 122.820 -0.121 0.000 1.902 414 A HA -0.012 4.308 4.320 -0.000 0.000 0.217 414 A C 0.053 177.542 177.584 -0.158 0.000 1.181 414 A CA 1.384 53.332 52.037 -0.148 0.000 0.623 414 A CB -1.374 17.542 19.000 -0.140 0.000 0.818 414 A HN 0.388 nan 8.150 nan 0.000 0.443 415 P HA -0.022 nan 4.420 nan 0.000 0.224 415 P C 1.615 178.569 177.300 -0.577 0.000 1.157 415 P CA 1.572 64.527 63.100 -0.241 0.000 0.799 415 P CB -0.390 31.298 31.700 -0.020 0.000 0.809 416 G N 0.430 108.830 108.800 -0.666 0.000 2.470 416 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.220 416 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.220 416 G C 1.673 176.346 174.900 -0.377 0.000 1.121 416 G CA 0.829 45.563 45.100 -0.610 0.000 0.766 416 G HN 0.373 nan 8.290 nan 0.000 0.553 417 A N 0.157 122.801 122.820 -0.292 0.000 1.878 417 A HA 0.225 4.545 4.320 -0.000 0.000 0.213 417 A C 2.544 179.991 177.584 -0.228 0.000 1.192 417 A CA 1.354 53.248 52.037 -0.238 0.000 0.619 417 A CB -0.460 18.432 19.000 -0.180 0.000 0.837 417 A HN 0.196 nan 8.150 nan 0.000 0.446 418 V N 0.499 120.290 119.914 -0.203 0.000 2.287 418 V HA -0.299 3.821 4.120 -0.000 0.000 0.248 418 V C 3.027 179.007 176.094 -0.190 0.000 1.053 418 V CA 2.000 64.207 62.300 -0.154 0.000 1.027 418 V CB -1.572 30.183 31.823 -0.113 0.000 0.646 418 V HN 0.603 nan 8.190 nan 0.000 0.447 419 A N 0.662 123.316 122.820 -0.276 0.000 1.859 419 A HA -0.368 3.952 4.320 -0.000 0.000 0.218 419 A C 2.065 179.477 177.584 -0.287 0.000 1.209 419 A CA 2.762 54.632 52.037 -0.278 0.000 0.639 419 A CB -1.169 17.646 19.000 -0.309 0.000 0.835 419 A HN 0.648 nan 8.150 nan 0.000 0.450 420 N N -1.556 116.910 118.700 -0.390 0.000 2.272 420 N HA -0.183 4.557 4.740 -0.000 0.000 0.185 420 N C 1.927 177.253 175.510 -0.306 0.000 1.014 420 N CA 1.339 54.077 53.050 -0.520 0.000 0.870 420 N CB -0.067 37.877 38.487 -0.904 0.000 0.975 420 N HN 0.475 nan 8.380 nan 0.000 0.433 421 R N 0.873 121.255 120.500 -0.197 0.000 2.066 421 R HA -0.016 4.324 4.340 -0.000 0.000 0.224 421 R C 1.940 178.215 176.300 -0.042 0.000 1.122 421 R CA 1.118 57.161 56.100 -0.094 0.000 0.974 421 R CB -0.727 29.529 30.300 -0.073 0.000 0.871 421 R HN 0.174 nan 8.270 nan 0.000 0.435 422 V N -0.925 118.968 119.914 -0.035 0.000 2.490 422 V HA -0.010 4.110 4.120 -0.000 0.000 0.250 422 V C 2.207 178.298 176.094 -0.006 0.000 1.061 422 V CA 1.599 63.925 62.300 0.043 0.000 1.064 422 V CB -1.380 30.471 31.823 0.048 0.000 0.670 422 V HN 0.315 nan 8.190 nan 0.000 0.461 423 A N 0.926 123.689 122.820 -0.094 0.000 1.917 423 A HA -0.202 4.118 4.320 -0.000 0.000 0.219 423 A C 2.229 179.807 177.584 -0.010 0.000 1.182 423 A CA 2.498 54.481 52.037 -0.090 0.000 0.633 423 A CB -0.685 18.233 19.000 -0.137 0.000 0.819 423 A HN 0.662 nan 8.150 nan 0.000 0.448 424 L N -0.422 120.805 121.223 0.006 0.000 2.131 424 L HA -0.007 4.333 4.340 -0.000 0.000 0.206 424 L C 2.088 179.000 176.870 0.069 0.000 1.087 424 L CA 1.886 56.758 54.840 0.053 0.000 0.767 424 L CB -0.407 41.693 42.059 0.068 0.000 0.917 424 L HN 0.447 nan 8.230 nan 0.000 0.441 425 E N -0.090 120.155 120.200 0.075 0.000 2.347 425 E HA -0.095 4.255 4.350 -0.000 0.000 0.196 425 E C 1.977 178.651 176.600 0.123 0.000 1.008 425 E CA 0.802 57.257 56.400 0.093 0.000 0.852 425 E CB -0.051 29.706 29.700 0.096 0.000 0.783 425 E HN 0.666 nan 8.360 nan 0.000 0.505 426 A N 0.975 123.885 122.820 0.149 0.000 1.878 426 A HA -0.087 4.233 4.320 -0.000 0.000 0.213 426 A C 2.397 180.051 177.584 0.116 0.000 1.192 426 A CA 0.537 52.678 52.037 0.174 0.000 0.619 426 A CB -0.672 18.439 19.000 0.185 0.000 0.837 426 A HN 0.310 nan 8.150 nan 0.000 0.446 427 C N -0.845 118.508 119.300 0.090 0.000 2.409 427 C HA -0.051 4.409 4.460 -0.000 0.000 0.284 427 C C 2.644 177.683 174.990 0.082 0.000 1.354 427 C CA 1.161 60.229 59.018 0.084 0.000 1.787 427 C CB -1.239 26.548 27.740 0.079 0.000 1.900 427 C HN 0.438 nan 8.230 nan 0.000 0.520 428 V N 0.419 120.383 119.914 0.082 0.000 2.379 428 V HA -0.122 3.998 4.120 -0.000 0.000 0.243 428 V C 2.493 178.629 176.094 0.069 0.000 1.035 428 V CA 1.764 64.108 62.300 0.074 0.000 1.035 428 V CB -0.516 31.350 31.823 0.072 0.000 0.673 428 V HN 0.511 nan 8.190 nan 0.000 0.457 429 K N 0.476 120.921 120.400 0.075 0.000 2.032 429 K HA -0.211 4.109 4.320 -0.000 0.000 0.209 429 K C 2.181 178.819 176.600 0.064 0.000 1.048 429 K CA 1.753 58.079 56.287 0.066 0.000 0.927 429 K CB -0.387 32.156 32.500 0.072 0.000 0.712 429 K HN 0.410 nan 8.250 nan 0.000 0.441 430 A N 1.752 124.618 122.820 0.077 0.000 1.865 430 A HA -0.214 4.106 4.320 -0.000 0.000 0.217 430 A C 2.169 179.790 177.584 0.062 0.000 1.191 430 A CA 1.640 53.721 52.037 0.074 0.000 0.623 430 A CB -0.765 18.286 19.000 0.086 0.000 0.826 430 A HN 0.311 nan 8.150 nan 0.000 0.444 431 R N 0.137 120.675 120.500 0.062 0.000 2.139 431 R HA -0.173 4.167 4.340 -0.000 0.000 0.243 431 R C 1.211 177.539 176.300 0.047 0.000 1.145 431 R CA 1.966 58.098 56.100 0.054 0.000 0.976 431 R CB -0.621 29.714 30.300 0.058 0.000 0.866 431 R HN 0.591 nan 8.270 nan 0.000 0.449 432 N N 0.714 119.442 118.700 0.047 0.000 2.354 432 N HA -0.079 4.661 4.740 -0.000 0.000 0.179 432 N C 0.973 176.504 175.510 0.034 0.000 1.021 432 N CA 0.760 53.834 53.050 0.039 0.000 0.887 432 N CB -0.033 38.477 38.487 0.038 0.000 0.974 432 N HN 0.406 nan 8.380 nan 0.000 0.437 433 E N -0.147 120.076 120.200 0.038 0.000 2.502 433 E HA 0.108 4.458 4.350 -0.000 0.000 0.194 433 E C 0.744 177.365 176.600 0.035 0.000 1.062 433 E CA 0.189 56.609 56.400 0.035 0.000 0.867 433 E CB 0.020 29.743 29.700 0.039 0.000 0.888 433 E HN 0.402 nan 8.360 nan 0.000 0.510 434 G N 1.941 110.763 108.800 0.036 0.000 2.225 434 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.254 434 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.254 434 G C 0.399 175.322 174.900 0.038 0.000 0.988 434 G CA -0.052 45.068 45.100 0.034 0.000 0.625 434 G HN 0.178 nan 8.290 nan 0.000 0.527 435 R N 0.755 121.282 120.500 0.045 0.000 2.734 435 R HA 0.330 4.670 4.340 -0.000 0.000 0.266 435 R C -0.555 175.775 176.300 0.049 0.000 1.044 435 R CA 0.296 56.425 56.100 0.049 0.000 1.128 435 R CB 0.317 30.652 30.300 0.060 0.000 1.010 435 R HN 0.260 nan 8.270 nan 0.000 0.461 436 D N 2.008 122.437 120.400 0.049 0.000 2.329 436 D HA 0.111 4.751 4.640 -0.000 0.000 0.232 436 D C 1.006 177.340 176.300 0.056 0.000 1.088 436 D CA -0.321 53.707 54.000 0.047 0.000 0.835 436 D CB 1.013 41.837 40.800 0.039 0.000 1.078 436 D HN 0.374 nan 8.370 nan 0.000 0.495 437 L N 2.978 124.235 121.223 0.057 0.000 2.156 437 L HA -0.037 4.303 4.340 -0.000 0.000 0.208 437 L C 2.307 179.218 176.870 0.068 0.000 1.095 437 L CA 0.910 55.791 54.840 0.068 0.000 0.770 437 L CB -0.450 41.648 42.059 0.065 0.000 0.914 437 L HN 0.464 nan 8.230 nan 0.000 0.439 438 A N -0.000 122.852 122.820 0.053 0.000 1.877 438 A HA -0.230 4.090 4.320 -0.000 0.000 0.216 438 A C 2.234 179.851 177.584 0.055 0.000 1.186 438 A CA 1.623 53.689 52.037 0.050 0.000 0.620 438 A CB -0.316 18.704 19.000 0.034 0.000 0.822 438 A HN 0.482 nan 8.150 nan 0.000 0.443 439 Q N -0.921 118.910 119.800 0.051 0.000 2.019 439 Q HA -0.023 4.317 4.340 -0.000 0.000 0.195 439 Q C 1.707 177.748 176.000 0.069 0.000 0.981 439 Q CA 0.847 56.681 55.803 0.051 0.000 0.832 439 Q CB -0.261 28.501 28.738 0.040 0.000 0.902 439 Q HN 0.661 nan 8.270 nan 0.000 0.461 440 E N 0.986 121.231 120.200 0.074 0.000 2.510 440 E HA -0.121 4.229 4.350 -0.000 0.000 0.202 440 E C 1.733 178.409 176.600 0.126 0.000 1.072 440 E CA 0.364 56.821 56.400 0.095 0.000 0.883 440 E CB -0.251 29.500 29.700 0.086 0.000 0.818 440 E HN 0.459 nan 8.360 nan 0.000 0.548 441 G N 2.643 111.518 108.800 0.126 0.000 2.719 441 G HA2 -0.395 3.565 3.960 -0.000 0.000 0.219 441 G HA3 -0.395 3.565 3.960 -0.000 0.000 0.219 441 G C 1.289 176.321 174.900 0.220 0.000 1.234 441 G CA 1.275 46.465 45.100 0.151 0.000 0.788 441 G HN 0.345 nan 8.290 nan 0.000 0.619 442 N N 0.135 119.012 118.700 0.296 0.000 2.364 442 N HA -0.068 4.672 4.740 -0.000 0.000 0.183 442 N C 1.950 177.803 175.510 0.573 0.000 1.022 442 N CA 0.591 53.961 53.050 0.533 0.000 0.883 442 N CB 0.025 38.787 38.487 0.458 0.000 0.965 442 N HN 0.283 nan 8.380 nan 0.000 0.438 443 E N 0.786 121.198 120.200 0.353 0.000 2.250 443 E HA 0.052 4.402 4.350 -0.000 0.000 0.192 443 E C 1.962 178.674 176.600 0.187 0.000 0.986 443 E CA 0.147 56.720 56.400 0.289 0.000 0.849 443 E CB 0.211 30.031 29.700 0.200 0.000 0.797 443 E HN 0.406 nan 8.360 nan 0.000 0.482 444 I N 0.856 121.525 120.570 0.166 0.000 2.163 444 I HA -0.253 3.917 4.170 -0.000 0.000 0.240 444 I C 2.422 178.586 176.117 0.079 0.000 1.081 444 I CA 1.007 62.380 61.300 0.121 0.000 1.353 444 I CB -0.175 37.892 38.000 0.113 0.000 1.054 444 I HN 0.034 nan 8.210 nan 0.000 0.407 445 I N -0.084 120.534 120.570 0.079 0.000 2.226 445 I HA -0.278 3.892 4.170 -0.000 0.000 0.245 445 I C 2.788 178.887 176.117 -0.029 0.000 1.100 445 I CA 0.989 62.282 61.300 -0.013 0.000 1.374 445 I CB -0.405 37.560 38.000 -0.057 0.000 1.057 445 I HN 0.222 nan 8.210 nan 0.000 0.413 446 R N 1.268 121.812 120.500 0.073 0.000 2.096 446 R HA -0.239 4.101 4.340 -0.000 0.000 0.240 446 R C 2.076 178.314 176.300 -0.103 0.000 1.139 446 R CA 2.395 58.449 56.100 -0.077 0.000 0.952 446 R CB -0.336 29.856 30.300 -0.180 0.000 0.854 446 R HN 0.526 nan 8.270 nan 0.000 0.436 447 E N -0.411 119.774 120.200 -0.024 0.000 2.274 447 E HA -0.015 4.335 4.350 -0.000 0.000 0.194 447 E C 1.611 178.147 176.600 -0.107 0.000 0.996 447 E CA 1.208 57.610 56.400 0.003 0.000 0.840 447 E CB -0.395 29.369 29.700 0.106 0.000 0.772 447 E HN 0.281 nan 8.360 nan 0.000 0.491 448 A N 0.655 123.305 122.820 -0.283 0.000 1.968 448 A HA -0.067 4.253 4.320 -0.000 0.000 0.217 448 A C 2.263 179.174 177.584 -1.121 0.000 1.169 448 A CA 1.010 52.446 52.037 -1.003 0.000 0.638 448 A CB -0.973 17.657 19.000 -0.617 0.000 0.812 448 A HN 0.465 nan 8.150 nan 0.000 0.446 449 C N -0.112 118.863 119.300 -0.542 0.000 2.401 449 C HA -0.121 4.339 4.460 -0.000 0.000 0.286 449 C C 2.518 177.317 174.990 -0.318 0.000 1.332 449 C CA 1.408 60.203 59.018 -0.373 0.000 1.795 449 C CB -1.215 26.402 27.740 -0.206 0.000 1.922 449 C HN 0.599 nan 8.230 nan 0.000 0.520 450 K N 0.177 120.394 120.400 -0.305 0.000 2.288 450 K HA -0.072 4.248 4.320 -0.000 0.000 0.201 450 K C 1.237 177.844 176.600 0.011 0.000 1.048 450 K CA 0.956 57.187 56.287 -0.094 0.000 0.956 450 K CB -0.060 32.458 32.500 0.030 0.000 0.746 450 K HN 0.819 nan 8.250 nan 0.000 0.461 451 W N -0.498 120.807 121.300 0.008 0.000 2.357 451 W HA 0.481 5.141 4.660 -0.000 0.000 0.386 451 W C -0.546 175.982 176.519 0.015 0.000 0.889 451 W CA -0.688 56.665 57.345 0.014 0.000 2.425 451 W CB -0.027 29.439 29.460 0.011 0.000 1.244 451 W HN -0.220 nan 8.180 nan 0.000 0.646 452 S N 2.636 118.296 115.700 -0.067 0.000 2.446 452 S HA 0.255 4.725 4.470 -0.000 0.000 0.230 452 S C -1.319 173.249 174.600 -0.054 0.000 1.051 452 S CA -0.671 57.508 58.200 -0.035 0.000 1.113 452 S CB 1.246 64.347 63.200 -0.164 0.000 1.184 452 S HN -0.208 nan 8.310 nan 0.000 0.435 453 P HA -0.142 nan 4.420 nan 0.000 0.217 453 P C 0.997 178.223 177.300 -0.123 0.000 1.148 453 P CA 1.264 64.428 63.100 0.108 0.000 0.828 453 P CB 0.290 32.205 31.700 0.358 0.000 0.783 454 E N -0.083 120.027 120.200 -0.151 0.000 2.049 454 E HA -0.180 4.170 4.350 -0.000 0.000 0.198 454 E C 1.995 178.441 176.600 -0.257 0.000 1.007 454 E CA 1.014 57.208 56.400 -0.343 0.000 0.809 454 E CB -1.275 28.313 29.700 -0.188 0.000 0.749 454 E HN 0.153 nan 8.360 nan 0.000 0.450 455 L N -0.030 121.066 121.223 -0.211 0.000 2.156 455 L HA 0.065 4.405 4.340 -0.000 0.000 0.208 455 L C 1.897 178.664 176.870 -0.171 0.000 1.095 455 L CA 1.680 56.399 54.840 -0.202 0.000 0.770 455 L CB -0.704 41.195 42.059 -0.267 0.000 0.914 455 L HN 0.109 nan 8.230 nan 0.000 0.439 456 A N 0.003 122.720 122.820 -0.171 0.000 1.835 456 A HA -0.131 4.189 4.320 -0.000 0.000 0.215 456 A C 2.493 180.000 177.584 -0.129 0.000 1.199 456 A CA 2.019 53.983 52.037 -0.121 0.000 0.615 456 A CB -1.437 17.515 19.000 -0.079 0.000 0.838 456 A HN 0.536 nan 8.150 nan 0.000 0.444 457 A N -0.281 122.398 122.820 -0.235 0.000 1.958 457 A HA 0.008 4.328 4.320 -0.000 0.000 0.221 457 A C 2.469 179.831 177.584 -0.369 0.000 1.178 457 A CA 2.593 54.409 52.037 -0.369 0.000 0.642 457 A CB -1.061 17.405 19.000 -0.890 0.000 0.816 457 A HN 1.219 nan 8.150 nan 0.000 0.453 458 A N -0.865 121.805 122.820 -0.249 0.000 1.930 458 A HA -0.083 4.237 4.320 -0.000 0.000 0.217 458 A C 1.688 179.298 177.584 0.043 0.000 1.175 458 A CA 1.478 53.451 52.037 -0.107 0.000 0.627 458 A CB -1.059 17.953 19.000 0.019 0.000 0.815 458 A HN 1.179 nan 8.150 nan 0.000 0.443 459 C N -1.877 117.474 119.300 0.084 0.000 2.641 459 C HA 0.580 5.040 4.460 -0.000 0.000 0.294 459 C C 1.092 176.205 174.990 0.204 0.000 1.496 459 C CA -0.608 58.572 59.018 0.271 0.000 1.672 459 C CB -0.959 26.944 27.740 0.272 0.000 2.763 459 C HN 0.600 nan 8.230 nan 0.000 0.545 460 E N 1.535 121.782 120.200 0.079 0.000 2.051 460 E HA -0.119 4.231 4.350 -0.000 0.000 0.189 460 E C 2.138 178.750 176.600 0.019 0.000 0.979 460 E CA 1.662 58.081 56.400 0.031 0.000 0.803 460 E CB 0.288 29.983 29.700 -0.008 0.000 0.761 460 E HN 0.690 nan 8.360 nan 0.000 0.451 461 V N -0.448 119.478 119.914 0.020 0.000 2.332 461 V HA -0.233 3.887 4.120 -0.000 0.000 0.248 461 V C 2.161 178.198 176.094 -0.095 0.000 1.055 461 V CA 1.955 64.239 62.300 -0.027 0.000 1.038 461 V CB -1.404 30.412 31.823 -0.012 0.000 0.651 461 V HN 0.465 nan 8.190 nan 0.000 0.450 462 W N 1.513 122.573 121.300 -0.399 0.000 2.342 462 W HA -0.113 4.547 4.660 0.000 0.000 0.297 462 W C 2.348 178.704 176.519 -0.272 0.000 1.213 462 W CA 2.046 59.028 57.345 -0.605 0.000 1.251 462 W CB -0.157 28.597 29.460 -1.177 0.000 1.136 462 W HN 0.023 nan 8.180 nan 0.000 0.526 463 K N 0.516 120.783 120.400 -0.221 0.000 2.001 463 K HA -0.246 4.074 4.320 -0.000 0.000 0.214 463 K C 1.654 178.117 176.600 -0.229 0.000 1.050 463 K CA 2.339 58.457 56.287 -0.282 0.000 0.934 463 K CB -0.795 31.619 32.500 -0.143 0.000 0.718 463 K HN 0.113 nan 8.250 nan 0.000 0.443 464 E N 0.754 120.859 120.200 -0.159 0.000 2.108 464 E HA -0.213 4.137 4.350 -0.000 0.000 0.203 464 E C 1.997 178.492 176.600 -0.175 0.000 1.022 464 E CA 1.431 57.750 56.400 -0.134 0.000 0.823 464 E CB -0.304 29.338 29.700 -0.097 0.000 0.744 464 E HN 0.213 nan 8.360 nan 0.000 0.456 465 I N -0.984 119.445 120.570 -0.236 0.000 2.333 465 I HA -0.165 4.005 4.170 -0.000 0.000 0.246 465 I C 1.957 177.894 176.117 -0.299 0.000 1.106 465 I CA 0.705 61.864 61.300 -0.236 0.000 1.411 465 I CB 0.020 37.885 38.000 -0.225 0.000 1.082 465 I HN -0.024 nan 8.210 nan 0.000 0.420 466 V N -1.041 118.600 119.914 -0.455 0.000 2.436 466 V HA 0.030 4.150 4.120 -0.000 0.000 0.240 466 V C 0.948 176.685 176.094 -0.595 0.000 1.040 466 V CA 0.708 62.659 62.300 -0.582 0.000 1.052 466 V CB -0.405 30.852 31.823 -0.944 0.000 0.707 466 V HN -0.001 nan 8.190 nan 0.000 0.469 467 F N 0.000 119.651 119.950 -0.498 0.000 2.286 467 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 467 F CA 0.000 57.794 58.000 -0.342 0.000 1.383 467 F CB 0.000 38.786 39.000 -0.356 0.000 1.145 467 F HN 0.000 nan 8.300 nan 0.000 0.574