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 2zp7_1_D DATA FIRST_RESID 5 DATA SEQUENCE SWSEAFGKGA GRIQASTIRE LLKLTQRPGI LSFAGGLPAP ELFPKEEAAE DATA SEQUENCE AAARILREKG EVALQYSPTE GYAPLRAFVA EWIGVRPEEV LITTGSQQAL DATA SEQUENCE DLVGKVFLDE GSPVLLEAPS YMGAIQAFRL QGPRFLTVPA GEEGPDLDAL DATA SEQUENCE EEVLKRERPR FLYLIPSFQN PTGGLTPLPA RKRLLQMVME RGLVVVEDDA DATA SEQUENCE YRELYFGEAR LPSLFELARE AGYPGVIYLG SFSKVLSPGL RVAFAVAHPE DATA SEQUENCE ALQKLVQAKQ GADLHTPMLN QMLVHELLKE GFSERLERVR RVYREKAQAM DATA SEQUENCE LHALDREVPK EVRYTRPKGG MFVWMELPKG LSAEGLFRRA LEENVAFVPG DATA SEQUENCE GPFFANGGGE NTLRLSYATL DREGIAEGVR RLGRALKGLL A 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 5 S HA 0.000 nan 4.470 nan 0.000 0.327 5 S C 0.000 174.394 174.600 -0.344 0.000 1.055 5 S CA 0.000 58.054 58.200 -0.243 0.000 1.107 5 S CB 0.000 63.002 63.200 -0.330 0.000 0.593 6 W N 3.089 124.209 121.300 -0.300 0.000 2.388 6 W HA -0.047 4.619 4.660 0.010 0.000 0.294 6 W C 2.679 178.581 176.519 -1.029 0.000 1.212 6 W CA 1.551 58.506 57.345 -0.650 0.000 1.271 6 W CB -0.209 28.936 29.460 -0.525 0.000 1.126 6 W HN 0.524 nan 8.180 nan 0.000 0.535 7 S N -0.326 115.230 115.700 -0.239 0.000 2.423 7 S HA -0.191 4.284 4.470 0.009 0.000 0.231 7 S C 1.558 176.127 174.600 -0.050 0.000 1.014 7 S CA 1.479 59.648 58.200 -0.051 0.000 0.965 7 S CB -0.258 63.001 63.200 0.100 0.000 0.785 7 S HN 0.181 nan 8.310 nan 0.000 0.495 8 E N 1.657 121.789 120.200 -0.113 0.000 2.285 8 E HA 0.286 4.641 4.350 0.009 0.000 0.194 8 E C 1.864 178.407 176.600 -0.095 0.000 0.997 8 E CA 0.899 57.249 56.400 -0.082 0.000 0.845 8 E CB -0.446 29.196 29.700 -0.097 0.000 0.782 8 E HN 0.645 nan 8.360 nan 0.000 0.491 9 A N -0.323 122.384 122.820 -0.188 0.000 2.030 9 A HA 0.130 4.455 4.320 0.009 0.000 0.215 9 A C 0.238 177.861 177.584 0.065 0.000 1.164 9 A CA -0.112 51.855 52.037 -0.116 0.000 0.697 9 A CB -0.270 18.609 19.000 -0.202 0.000 0.827 9 A HN 0.126 nan 8.150 nan 0.000 0.457 10 F N 0.625 120.661 119.950 0.143 0.000 2.553 10 F HA 0.425 4.957 4.527 0.009 0.000 0.356 10 F C 1.407 177.249 175.800 0.070 0.000 1.142 10 F CA -0.322 57.746 58.000 0.113 0.000 1.322 10 F CB -0.119 38.943 39.000 0.103 0.000 1.126 10 F HN 0.142 nan 8.300 nan 0.000 0.599 11 G N 2.084 111.049 108.800 0.274 0.000 2.525 11 G HA2 0.207 4.172 3.960 0.009 0.000 0.287 11 G HA3 0.207 4.172 3.960 0.009 0.000 0.287 11 G C 0.736 175.705 174.900 0.115 0.000 1.350 11 G CA -0.584 44.605 45.100 0.148 0.000 1.039 11 G HN 0.618 nan 8.290 nan 0.000 0.513 12 K N -0.547 119.898 120.400 0.074 0.000 2.148 12 K HA -0.057 4.268 4.320 0.009 0.000 0.204 12 K C 2.605 179.225 176.600 0.034 0.000 1.050 12 K CA 1.025 57.344 56.287 0.053 0.000 0.942 12 K CB -0.266 32.258 32.500 0.040 0.000 0.724 12 K HN 0.479 nan 8.250 nan 0.000 0.446 13 G N 1.240 110.055 108.800 0.025 0.000 2.450 13 G HA2 -0.289 3.676 3.960 0.009 0.000 0.220 13 G HA3 -0.289 3.676 3.960 0.009 0.000 0.220 13 G C 1.570 176.450 174.900 -0.033 0.000 1.130 13 G CA 1.008 46.108 45.100 0.001 0.000 0.760 13 G HN 0.352 nan 8.290 nan 0.000 0.557 14 A N 0.775 123.564 122.820 -0.053 0.000 1.933 14 A HA 0.148 4.473 4.320 0.009 0.000 0.218 14 A C 2.631 180.156 177.584 -0.098 0.000 1.175 14 A CA 1.987 53.930 52.037 -0.157 0.000 0.628 14 A CB -0.835 18.001 19.000 -0.274 0.000 0.814 14 A HN 0.540 nan 8.150 nan 0.000 0.444 15 G N -1.112 107.677 108.800 -0.019 0.000 2.650 15 G HA2 -0.044 3.921 3.960 0.009 0.000 0.214 15 G HA3 -0.044 3.921 3.960 0.009 0.000 0.214 15 G C 1.396 176.294 174.900 -0.005 0.000 1.136 15 G CA 0.348 45.449 45.100 0.002 0.000 0.789 15 G HN 0.563 nan 8.290 nan 0.000 0.536 16 R N -0.011 120.484 120.500 -0.009 0.000 2.466 16 R HA 0.312 4.657 4.340 0.009 0.000 0.279 16 R C 1.286 177.576 176.300 -0.017 0.000 0.976 16 R CA 0.030 56.132 56.100 0.003 0.000 1.081 16 R CB 0.076 30.389 30.300 0.022 0.000 1.215 16 R HN 0.608 nan 8.270 nan 0.000 0.546 17 I N -5.853 114.688 120.570 -0.049 0.000 4.338 17 I HA 0.241 4.417 4.170 0.009 0.000 0.329 17 I C 1.893 177.962 176.117 -0.080 0.000 1.378 17 I CA -0.063 61.195 61.300 -0.070 0.000 1.170 17 I CB 0.046 37.992 38.000 -0.090 0.000 1.206 17 I HN -0.128 nan 8.210 nan 0.000 0.432 18 Q N 2.290 122.049 119.800 -0.068 0.000 2.290 18 Q HA 0.009 4.355 4.340 0.009 0.000 0.211 18 Q C 1.484 177.442 176.000 -0.070 0.000 0.991 18 Q CA 1.755 57.519 55.803 -0.065 0.000 0.893 18 Q CB -1.267 27.446 28.738 -0.042 0.000 0.913 18 Q HN 0.839 nan 8.270 nan 0.000 0.428 19 A N -0.071 122.702 122.820 -0.079 0.000 2.483 19 A HA 0.416 4.742 4.320 0.009 0.000 0.238 19 A C 0.852 178.377 177.584 -0.099 0.000 1.070 19 A CA 0.495 52.475 52.037 -0.095 0.000 0.770 19 A CB 0.546 19.475 19.000 -0.118 0.000 1.008 19 A HN 0.654 nan 8.150 nan 0.000 0.497 20 S N -0.142 115.498 115.700 -0.099 0.000 2.893 20 S HA 0.028 4.503 4.470 0.009 0.000 0.258 20 S C 1.027 175.569 174.600 -0.098 0.000 1.034 20 S CA 0.357 58.503 58.200 -0.091 0.000 1.167 20 S CB 0.317 63.473 63.200 -0.073 0.000 1.137 20 S HN 0.849 nan 8.310 nan 0.000 0.650 21 T N 1.828 116.307 114.554 -0.125 0.000 3.118 21 T HA 0.014 4.370 4.350 0.009 0.000 0.269 21 T C 1.102 175.725 174.700 -0.128 0.000 1.166 21 T CA 1.032 63.047 62.100 -0.142 0.000 1.073 21 T CB -0.444 68.309 68.868 -0.190 0.000 0.884 21 T HN 0.384 nan 8.240 nan 0.000 0.550 22 I N 0.042 120.546 120.570 -0.109 0.000 4.124 22 I HA 0.205 4.380 4.170 0.009 0.000 0.311 22 I C 2.233 178.328 176.117 -0.036 0.000 1.259 22 I CA -0.149 61.104 61.300 -0.077 0.000 1.315 22 I CB -0.256 37.678 38.000 -0.109 0.000 1.223 22 I HN 0.067 nan 8.210 nan 0.000 0.441 23 R N 1.080 121.553 120.500 -0.046 0.000 2.090 23 R HA 0.016 4.361 4.340 0.009 0.000 0.228 23 R C 1.887 178.180 176.300 -0.012 0.000 1.110 23 R CA 1.191 57.274 56.100 -0.027 0.000 0.973 23 R CB -0.568 29.709 30.300 -0.039 0.000 0.869 23 R HN 0.197 nan 8.270 nan 0.000 0.440 24 E N 1.108 121.298 120.200 -0.017 0.000 2.274 24 E HA -0.050 4.305 4.350 0.009 0.000 0.194 24 E C 1.873 178.486 176.600 0.021 0.000 0.996 24 E CA 0.521 56.921 56.400 -0.001 0.000 0.840 24 E CB 0.097 29.790 29.700 -0.011 0.000 0.772 24 E HN 0.441 nan 8.360 nan 0.000 0.491 25 L N 0.229 121.466 121.223 0.023 0.000 1.973 25 L HA -0.195 4.150 4.340 0.009 0.000 0.208 25 L C 2.500 179.408 176.870 0.063 0.000 1.073 25 L CA 0.700 55.575 54.840 0.057 0.000 0.746 25 L CB -0.497 41.602 42.059 0.068 0.000 0.891 25 L HN 0.191 nan 8.230 nan 0.000 0.433 26 L N 0.248 121.502 121.223 0.052 0.000 2.137 26 L HA -0.248 4.098 4.340 0.009 0.000 0.213 26 L C 1.620 178.517 176.870 0.044 0.000 1.085 26 L CA 1.706 56.578 54.840 0.053 0.000 0.760 26 L CB -0.971 41.110 42.059 0.038 0.000 0.893 26 L HN 0.313 nan 8.230 nan 0.000 0.434 27 K N 1.342 121.762 120.400 0.032 0.000 3.277 27 K HA 0.004 4.329 4.320 0.009 0.000 0.291 27 K C 0.750 177.372 176.600 0.036 0.000 0.994 27 K CA -0.039 56.265 56.287 0.027 0.000 1.147 27 K CB -0.524 31.986 32.500 0.017 0.000 1.185 27 K HN 0.356 nan 8.250 nan 0.000 0.422 28 L N -1.779 119.472 121.223 0.047 0.000 3.029 28 L HA 0.284 4.629 4.340 0.009 0.000 0.231 28 L C -0.190 176.707 176.870 0.044 0.000 1.327 28 L CA -0.475 54.395 54.840 0.050 0.000 1.166 28 L CB 0.133 42.233 42.059 0.068 0.000 1.532 28 L HN -0.082 nan 8.230 nan 0.000 0.473 29 T N -1.108 113.466 114.554 0.034 0.000 3.434 29 T HA 0.053 4.408 4.350 0.009 0.000 0.249 29 T C 0.672 175.383 174.700 0.019 0.000 1.050 29 T CA 0.092 62.209 62.100 0.028 0.000 0.952 29 T CB -0.529 68.353 68.868 0.023 0.000 1.046 29 T HN 0.459 nan 8.240 nan 0.000 0.590 30 Q N 2.433 122.244 119.800 0.019 0.000 2.283 30 Q HA 0.426 4.772 4.340 0.009 0.000 0.269 30 Q C 0.423 176.422 176.000 -0.001 0.000 1.187 30 Q CA 0.389 56.197 55.803 0.008 0.000 0.922 30 Q CB -0.160 28.583 28.738 0.008 0.000 1.323 30 Q HN 0.643 nan 8.270 nan 0.000 0.432 31 R N 2.703 123.201 120.500 -0.003 0.000 2.837 31 R HA 0.613 4.958 4.340 0.009 0.000 0.271 31 R C -2.042 174.252 176.300 -0.011 0.000 0.993 31 R CA -1.086 55.010 56.100 -0.007 0.000 0.931 31 R CB -0.780 29.518 30.300 -0.002 0.000 1.206 31 R HN 0.538 nan 8.270 nan 0.000 0.474 32 P HA 0.169 nan 4.420 nan 0.000 0.213 32 P C 0.970 178.256 177.300 -0.023 0.000 1.156 32 P CA 1.227 64.317 63.100 -0.016 0.000 0.884 32 P CB 0.320 32.012 31.700 -0.014 0.000 0.774 33 G N 0.092 108.875 108.800 -0.028 0.000 3.814 33 G HA2 0.362 4.327 3.960 0.009 0.000 0.293 33 G HA3 0.362 4.327 3.960 0.009 0.000 0.293 33 G C -0.317 174.554 174.900 -0.048 0.000 1.243 33 G CA -0.078 45.001 45.100 -0.035 0.000 1.053 33 G HN 0.234 nan 8.290 nan 0.000 0.562 34 I N 0.445 120.983 120.570 -0.054 0.000 2.359 34 I HA 0.447 4.623 4.170 0.009 0.000 0.294 34 I C -0.416 175.643 176.117 -0.097 0.000 0.987 34 I CA -1.008 60.247 61.300 -0.075 0.000 1.225 34 I CB 1.241 39.199 38.000 -0.071 0.000 1.366 34 I HN -0.089 nan 8.210 nan 0.000 0.466 35 L N 7.288 128.431 121.223 -0.134 0.000 2.259 35 L HA 0.368 4.713 4.340 0.009 0.000 0.288 35 L C 0.101 176.777 176.870 -0.323 0.000 1.051 35 L CA -0.235 54.472 54.840 -0.222 0.000 0.824 35 L CB 0.918 42.834 42.059 -0.238 0.000 1.206 35 L HN 0.607 nan 8.230 nan 0.000 0.429 36 S N 2.793 118.334 115.700 -0.265 0.000 2.457 36 S HA 0.428 4.904 4.470 0.009 0.000 0.289 36 S C 0.317 174.791 174.600 -0.209 0.000 1.163 36 S CA -0.485 57.613 58.200 -0.171 0.000 1.078 36 S CB 0.382 63.566 63.200 -0.025 0.000 0.987 36 S HN 0.447 nan 8.310 nan 0.000 0.482 37 F N 3.011 123.069 119.950 0.180 0.000 2.645 37 F HA 0.388 4.914 4.527 -0.002 0.000 0.300 37 F C 1.203 177.168 175.800 0.274 0.000 1.115 37 F CA -0.463 57.671 58.000 0.224 0.000 1.355 37 F CB 0.267 39.414 39.000 0.245 0.000 1.026 37 F HN 0.635 nan 8.300 nan 0.000 0.536 38 A N 1.047 124.082 122.820 0.358 0.000 2.252 38 A HA 0.666 4.991 4.320 0.009 0.000 0.309 38 A C 0.522 178.279 177.584 0.289 0.000 1.285 38 A CA 0.093 52.331 52.037 0.334 0.000 0.900 38 A CB -0.249 18.915 19.000 0.274 0.000 1.157 38 A HN 0.518 nan 8.150 nan 0.000 0.536 39 G N 1.143 110.146 108.800 0.339 0.000 3.069 39 G HA2 0.345 4.310 3.960 0.009 0.000 0.686 39 G HA3 0.345 4.310 3.960 0.009 0.000 0.686 39 G C 0.231 175.364 174.900 0.389 0.000 1.161 39 G CA -0.295 44.998 45.100 0.322 0.000 0.804 39 G HN 1.683 nan 8.290 nan 0.000 0.608 40 G N 0.478 109.557 108.800 0.464 0.000 3.401 40 G HA2 0.508 4.473 3.960 0.009 0.000 0.251 40 G HA3 0.508 4.473 3.960 0.009 0.000 0.251 40 G C 0.368 175.420 174.900 0.254 0.000 0.960 40 G CA -0.336 45.013 45.100 0.415 0.000 1.900 40 G HN 0.723 nan 8.290 nan 0.000 0.645 41 L N 2.010 123.366 121.223 0.221 0.000 2.325 41 L HA 0.299 4.644 4.340 0.009 0.000 0.284 41 L C -1.841 175.143 176.870 0.191 0.000 1.089 41 L CA -1.533 53.427 54.840 0.200 0.000 0.836 41 L CB 1.163 43.327 42.059 0.175 0.000 1.184 41 L HN 0.084 nan 8.230 nan 0.000 0.444 42 P HA -0.042 nan 4.420 nan 0.000 0.266 42 P C -0.629 176.719 177.300 0.081 0.000 1.186 42 P CA -0.137 63.122 63.100 0.265 0.000 0.767 42 P CB 0.488 32.404 31.700 0.359 0.000 0.820 43 A N 5.280 128.120 122.820 0.033 0.000 2.537 43 A HA 0.138 4.464 4.320 0.009 0.000 0.260 43 A C -1.258 175.994 177.584 -0.553 0.000 1.082 43 A CA -0.505 51.401 52.037 -0.218 0.000 0.765 43 A CB -0.906 17.895 19.000 -0.332 0.000 1.019 43 A HN 0.428 nan 8.150 nan 0.000 0.507 44 P HA -0.172 nan 4.420 nan 0.000 0.223 44 P C 1.156 178.054 177.300 -0.669 0.000 1.144 44 P CA 1.378 63.890 63.100 -0.979 0.000 0.783 44 P CB 0.237 31.723 31.700 -0.356 0.000 0.771 45 E N -0.857 119.109 120.200 -0.390 0.000 2.371 45 E HA -0.041 4.314 4.350 0.009 0.000 0.194 45 E C 1.419 177.926 176.600 -0.156 0.000 1.012 45 E CA 0.621 56.897 56.400 -0.207 0.000 0.860 45 E CB -0.852 28.756 29.700 -0.154 0.000 0.811 45 E HN 0.190 nan 8.360 nan 0.000 0.502 46 L N 0.704 121.802 121.223 -0.209 0.000 2.313 46 L HA 0.110 4.456 4.340 0.009 0.000 0.214 46 L C 0.454 177.392 176.870 0.113 0.000 1.119 46 L CA 0.377 55.185 54.840 -0.053 0.000 0.809 46 L CB -0.878 41.165 42.059 -0.027 0.000 0.933 46 L HN -0.042 nan 8.230 nan 0.000 0.449 47 F N 2.347 122.316 119.950 0.032 0.000 2.593 47 F HA 0.092 4.626 4.527 0.013 0.000 0.393 47 F C -1.343 174.467 175.800 0.016 0.000 1.037 47 F CA -2.726 55.293 58.000 0.031 0.000 1.195 47 F CB -0.981 38.035 39.000 0.027 0.000 1.034 47 F HN 0.091 nan 8.300 nan 0.000 0.552 48 P HA 0.162 nan 4.420 nan 0.000 0.232 48 P C 0.266 177.603 177.300 0.062 0.000 1.814 48 P CA -0.262 62.895 63.100 0.096 0.000 1.085 48 P CB 0.304 32.039 31.700 0.058 0.000 1.901 49 K N 0.726 121.173 120.400 0.078 0.000 2.057 49 K HA -0.190 4.136 4.320 0.009 0.000 0.207 49 K C 1.805 178.413 176.600 0.014 0.000 1.049 49 K CA 1.285 57.598 56.287 0.044 0.000 0.931 49 K CB 0.017 32.554 32.500 0.062 0.000 0.714 49 K HN 0.190 nan 8.250 nan 0.000 0.440 50 E N 1.520 121.730 120.200 0.017 0.000 2.028 50 E HA -0.169 4.186 4.350 0.009 0.000 0.191 50 E C 1.757 178.353 176.600 -0.008 0.000 0.988 50 E CA 1.460 57.862 56.400 0.004 0.000 0.799 50 E CB -0.022 29.682 29.700 0.007 0.000 0.755 50 E HN 0.205 nan 8.360 nan 0.000 0.447 51 E N -0.423 119.772 120.200 -0.008 0.000 2.097 51 E HA -0.240 4.115 4.350 0.009 0.000 0.196 51 E C 1.910 178.487 176.600 -0.038 0.000 1.000 51 E CA 1.088 57.474 56.400 -0.023 0.000 0.804 51 E CB -0.187 29.500 29.700 -0.022 0.000 0.740 51 E HN 0.333 nan 8.360 nan 0.000 0.454 52 A N 1.148 123.946 122.820 -0.036 0.000 1.898 52 A HA -0.070 4.256 4.320 0.009 0.000 0.216 52 A C 2.346 179.900 177.584 -0.050 0.000 1.181 52 A CA 1.593 53.597 52.037 -0.054 0.000 0.620 52 A CB -0.487 18.478 19.000 -0.057 0.000 0.819 52 A HN 0.307 nan 8.150 nan 0.000 0.442 53 A N -0.431 122.368 122.820 -0.036 0.000 1.933 53 A HA -0.164 4.162 4.320 0.009 0.000 0.218 53 A C 2.101 179.665 177.584 -0.034 0.000 1.175 53 A CA 1.799 53.817 52.037 -0.032 0.000 0.628 53 A CB -0.413 18.574 19.000 -0.021 0.000 0.814 53 A HN 0.554 nan 8.150 nan 0.000 0.444 54 E N 0.532 120.713 120.200 -0.032 0.000 2.046 54 E HA -0.110 4.245 4.350 0.009 0.000 0.190 54 E C 2.202 178.777 176.600 -0.041 0.000 0.982 54 E CA 1.304 57.685 56.400 -0.032 0.000 0.800 54 E CB -0.384 29.299 29.700 -0.028 0.000 0.756 54 E HN 0.416 nan 8.360 nan 0.000 0.449 55 A N 1.570 124.359 122.820 -0.051 0.000 1.877 55 A HA -0.079 4.247 4.320 0.009 0.000 0.216 55 A C 2.489 180.034 177.584 -0.065 0.000 1.186 55 A CA 2.366 54.365 52.037 -0.063 0.000 0.620 55 A CB -0.851 18.100 19.000 -0.082 0.000 0.822 55 A HN 0.392 nan 8.150 nan 0.000 0.443 56 A N -0.131 122.650 122.820 -0.065 0.000 1.877 56 A HA 0.126 4.451 4.320 0.009 0.000 0.216 56 A C 2.531 180.081 177.584 -0.056 0.000 1.186 56 A CA 2.297 54.294 52.037 -0.066 0.000 0.620 56 A CB -1.095 17.866 19.000 -0.064 0.000 0.822 56 A HN 1.103 nan 8.150 nan 0.000 0.443 57 A N -0.750 122.042 122.820 -0.046 0.000 1.933 57 A HA -0.150 4.175 4.320 0.009 0.000 0.218 57 A C 2.276 179.839 177.584 -0.036 0.000 1.175 57 A CA 1.635 53.649 52.037 -0.038 0.000 0.628 57 A CB -0.489 18.493 19.000 -0.031 0.000 0.814 57 A HN 0.523 nan 8.150 nan 0.000 0.444 58 R N -0.446 120.031 120.500 -0.037 0.000 2.081 58 R HA -0.094 4.251 4.340 0.009 0.000 0.235 58 R C 1.943 178.221 176.300 -0.036 0.000 1.131 58 R CA 1.474 57.554 56.100 -0.033 0.000 0.960 58 R CB -0.309 29.971 30.300 -0.033 0.000 0.856 58 R HN 0.460 nan 8.270 nan 0.000 0.436 59 I N 1.241 121.782 120.570 -0.048 0.000 2.151 59 I HA -0.312 3.864 4.170 0.009 0.000 0.243 59 I C 2.288 178.373 176.117 -0.054 0.000 1.080 59 I CA 1.560 62.825 61.300 -0.058 0.000 1.339 59 I CB -0.843 37.106 38.000 -0.085 0.000 1.039 59 I HN 0.286 nan 8.210 nan 0.000 0.409 60 L N -0.433 120.759 121.223 -0.051 0.000 2.179 60 L HA -0.097 4.248 4.340 0.009 0.000 0.208 60 L C 2.755 179.604 176.870 -0.035 0.000 1.096 60 L CA 0.770 55.583 54.840 -0.046 0.000 0.779 60 L CB -0.438 41.594 42.059 -0.046 0.000 0.922 60 L HN 0.148 nan 8.230 nan 0.000 0.443 61 R N 0.093 120.575 120.500 -0.030 0.000 2.057 61 R HA -0.096 4.249 4.340 0.009 0.000 0.229 61 R C 2.003 178.291 176.300 -0.020 0.000 1.136 61 R CA 1.322 57.408 56.100 -0.023 0.000 0.952 61 R CB -0.125 30.163 30.300 -0.021 0.000 0.848 61 R HN 0.412 nan 8.270 nan 0.000 0.430 62 E N -0.072 120.116 120.200 -0.020 0.000 2.318 62 E HA -0.034 4.322 4.350 0.009 0.000 0.193 62 E C 0.717 177.310 176.600 -0.013 0.000 0.998 62 E CA 0.684 57.076 56.400 -0.014 0.000 0.859 62 E CB 0.423 30.116 29.700 -0.011 0.000 0.812 62 E HN 0.157 nan 8.360 nan 0.000 0.492 63 K N -0.460 119.927 120.400 -0.022 0.000 2.589 63 K HA 0.146 4.471 4.320 0.009 0.000 0.198 63 K C 1.248 177.826 176.600 -0.037 0.000 1.114 63 K CA 0.001 56.274 56.287 -0.023 0.000 1.070 63 K CB 1.386 33.872 32.500 -0.023 0.000 0.860 63 K HN 0.041 nan 8.250 nan 0.000 0.536 64 G N 2.561 111.339 108.800 -0.035 0.000 2.475 64 G HA2 -0.308 3.658 3.960 0.009 0.000 0.220 64 G HA3 -0.308 3.658 3.960 0.009 0.000 0.220 64 G C 1.405 176.283 174.900 -0.038 0.000 1.125 64 G CA 1.146 46.221 45.100 -0.041 0.000 0.755 64 G HN 0.422 nan 8.290 nan 0.000 0.565 65 E N 0.954 121.137 120.200 -0.027 0.000 2.204 65 E HA -0.097 4.258 4.350 0.009 0.000 0.194 65 E C 2.453 179.039 176.600 -0.023 0.000 0.989 65 E CA 1.507 57.895 56.400 -0.021 0.000 0.824 65 E CB -0.652 29.042 29.700 -0.010 0.000 0.756 65 E HN 0.508 nan 8.360 nan 0.000 0.477 66 V N 0.204 120.100 119.914 -0.030 0.000 2.685 66 V HA 0.257 4.383 4.120 0.009 0.000 0.244 66 V C 2.384 178.436 176.094 -0.070 0.000 1.054 66 V CA 1.277 63.554 62.300 -0.038 0.000 1.076 66 V CB -0.021 31.792 31.823 -0.017 0.000 0.725 66 V HN 0.252 nan 8.190 nan 0.000 0.467 67 A N 0.309 123.077 122.820 -0.087 0.000 1.933 67 A HA -0.017 4.308 4.320 0.009 0.000 0.218 67 A C 1.950 179.490 177.584 -0.073 0.000 1.175 67 A CA 2.060 54.033 52.037 -0.106 0.000 0.628 67 A CB -0.528 18.407 19.000 -0.110 0.000 0.814 67 A HN 0.526 nan 8.150 nan 0.000 0.444 68 L N -1.127 120.057 121.223 -0.064 0.000 2.607 68 L HA 0.252 4.597 4.340 0.009 0.000 0.228 68 L C 0.746 177.566 176.870 -0.084 0.000 1.123 68 L CA 0.582 55.382 54.840 -0.066 0.000 0.890 68 L CB -0.505 41.518 42.059 -0.060 0.000 1.103 68 L HN 0.460 nan 8.230 nan 0.000 0.468 69 Q N -1.382 118.378 119.800 -0.067 0.000 2.226 69 Q HA 0.272 4.618 4.340 0.009 0.000 0.256 69 Q C -0.933 175.040 176.000 -0.045 0.000 0.962 69 Q CA -0.612 55.152 55.803 -0.066 0.000 0.887 69 Q CB 0.866 29.594 28.738 -0.017 0.000 1.282 69 Q HN 0.064 nan 8.270 nan 0.000 0.449 70 Y N 0.737 121.061 120.300 0.040 0.000 2.960 70 Y HA 0.181 4.736 4.550 0.009 0.000 0.345 70 Y C 0.687 176.455 175.900 -0.220 0.000 1.277 70 Y CA 1.402 59.516 58.100 0.023 0.000 1.508 70 Y CB 0.410 38.903 38.460 0.055 0.000 1.317 70 Y HN 0.595 nan 8.280 nan 0.000 0.639 71 S N 2.410 117.863 115.700 -0.411 0.000 2.565 71 S HA 0.605 5.080 4.470 0.009 0.000 0.269 71 S C -3.188 171.195 174.600 -0.363 0.000 1.153 71 S CA -1.676 56.262 58.200 -0.436 0.000 0.835 71 S CB 1.663 64.564 63.200 -0.497 0.000 1.122 71 S HN 0.231 nan 8.310 nan 0.000 0.462 72 P HA 0.142 nan 4.420 nan 0.000 0.264 72 P C 0.851 178.173 177.300 0.037 0.000 1.183 72 P CA 0.155 63.239 63.100 -0.026 0.000 0.763 72 P CB 0.161 31.862 31.700 0.003 0.000 0.807 73 T N 1.705 116.308 114.554 0.082 0.000 2.685 73 T HA -0.216 4.139 4.350 0.009 0.000 0.268 73 T C 1.286 176.053 174.700 0.113 0.000 1.034 73 T CA 1.761 63.935 62.100 0.124 0.000 1.149 73 T CB -0.466 68.456 68.868 0.089 0.000 0.860 73 T HN 0.515 nan 8.240 nan 0.000 0.449 74 E N 0.544 120.793 120.200 0.082 0.000 2.153 74 E HA 0.283 4.638 4.350 0.009 0.000 0.194 74 E C 1.190 177.851 176.600 0.101 0.000 0.988 74 E CA 0.793 57.241 56.400 0.080 0.000 0.811 74 E CB -0.224 29.507 29.700 0.053 0.000 0.746 74 E HN 0.649 nan 8.360 nan 0.000 0.466 75 G N -0.878 107.986 108.800 0.107 0.000 2.392 75 G HA2 -0.157 3.809 3.960 0.009 0.000 0.677 75 G HA3 -0.157 3.809 3.960 0.009 0.000 0.677 75 G C -1.528 173.460 174.900 0.146 0.000 1.334 75 G CA -0.733 44.451 45.100 0.141 0.000 0.961 75 G HN 0.060 nan 8.290 nan 0.000 0.616 76 Y N 1.887 122.191 120.300 0.007 0.000 2.745 76 Y HA 0.350 4.905 4.550 0.009 0.000 0.335 76 Y C 1.732 177.595 175.900 -0.061 0.000 1.212 76 Y CA 0.878 58.956 58.100 -0.037 0.000 1.535 76 Y CB 0.615 39.045 38.460 -0.050 0.000 1.220 76 Y HN 1.145 nan 8.280 nan 0.000 0.531 77 A N 7.566 130.220 122.820 -0.276 0.000 1.883 77 A HA -0.146 4.179 4.320 0.009 0.000 0.217 77 A C -0.370 176.955 177.584 -0.431 0.000 1.186 77 A CA 1.694 53.562 52.037 -0.281 0.000 0.624 77 A CB -1.674 17.206 19.000 -0.199 0.000 0.822 77 A HN 0.692 nan 8.150 nan 0.000 0.444 78 P HA -0.105 nan 4.420 nan 0.000 0.218 78 P C 1.658 178.495 177.300 -0.772 0.000 1.149 78 P CA 0.554 63.175 63.100 -0.799 0.000 0.817 78 P CB -0.069 30.964 31.700 -1.113 0.000 0.785 79 L N -0.716 120.116 121.223 -0.652 0.000 2.072 79 L HA -0.120 4.226 4.340 0.009 0.000 0.205 79 L C 2.447 179.329 176.870 0.020 0.000 1.079 79 L CA 1.574 56.300 54.840 -0.191 0.000 0.752 79 L CB -0.280 41.825 42.059 0.077 0.000 0.906 79 L HN -0.084 nan 8.230 nan 0.000 0.436 80 R N -0.251 120.229 120.500 -0.033 0.000 2.091 80 R HA -0.189 4.156 4.340 0.009 0.000 0.238 80 R C 2.211 178.510 176.300 -0.002 0.000 1.136 80 R CA 1.472 57.575 56.100 0.006 0.000 0.959 80 R CB -0.496 29.797 30.300 -0.012 0.000 0.856 80 R HN 0.443 nan 8.270 nan 0.000 0.437 81 A N 0.726 123.522 122.820 -0.040 0.000 1.902 81 A HA -0.192 4.134 4.320 0.009 0.000 0.217 81 A C 1.973 179.601 177.584 0.073 0.000 1.181 81 A CA 1.140 53.173 52.037 -0.007 0.000 0.623 81 A CB -0.633 18.342 19.000 -0.042 0.000 0.818 81 A HN 0.378 nan 8.150 nan 0.000 0.443 82 F N 0.568 120.507 119.950 -0.017 0.000 2.134 82 F HA -0.137 4.395 4.527 0.008 0.000 0.299 82 F C 2.173 178.054 175.800 0.134 0.000 1.097 82 F CA 1.951 60.002 58.000 0.085 0.000 1.264 82 F CB -0.179 38.914 39.000 0.155 0.000 1.001 82 F HN 0.025 nan 8.300 nan 0.000 0.479 83 V N 0.559 120.595 119.914 0.203 0.000 2.358 83 V HA -0.272 3.853 4.120 0.009 0.000 0.246 83 V C 2.746 178.785 176.094 -0.093 0.000 1.047 83 V CA 1.638 63.947 62.300 0.014 0.000 1.035 83 V CB -1.459 30.213 31.823 -0.253 0.000 0.658 83 V HN 0.494 nan 8.190 nan 0.000 0.452 84 A N -0.262 122.523 122.820 -0.058 0.000 1.908 84 A HA -0.304 4.021 4.320 0.009 0.000 0.218 84 A C 2.295 179.858 177.584 -0.036 0.000 1.181 84 A CA 2.199 54.205 52.037 -0.051 0.000 0.627 84 A CB -0.514 18.471 19.000 -0.024 0.000 0.818 84 A HN 0.639 nan 8.150 nan 0.000 0.445 85 E N -1.726 118.455 120.200 -0.032 0.000 2.072 85 E HA -0.222 4.133 4.350 0.009 0.000 0.191 85 E C 1.805 178.415 176.600 0.016 0.000 0.985 85 E CA 1.187 57.573 56.400 -0.024 0.000 0.801 85 E CB -0.289 29.387 29.700 -0.040 0.000 0.750 85 E HN 0.742 nan 8.360 nan 0.000 0.452 86 W N 1.406 122.541 121.300 -0.274 0.000 2.333 86 W HA -0.187 4.478 4.660 0.008 0.000 0.316 86 W C 1.758 178.212 176.519 -0.108 0.000 1.215 86 W CA 1.161 58.385 57.345 -0.203 0.000 1.278 86 W CB -0.423 28.904 29.460 -0.222 0.000 1.154 86 W HN 0.141 nan 8.180 nan 0.000 0.486 87 I N 0.210 120.691 120.570 -0.148 0.000 2.716 87 I HA 0.146 4.322 4.170 0.009 0.000 0.259 87 I C 1.771 177.801 176.117 -0.146 0.000 1.172 87 I CA 1.702 62.811 61.300 -0.319 0.000 1.478 87 I CB -1.780 35.973 38.000 -0.412 0.000 1.104 87 I HN 0.258 nan 8.210 nan 0.000 0.439 88 G N 1.900 110.663 108.800 -0.061 0.000 2.288 88 G HA2 -0.084 3.882 3.960 0.009 0.000 0.205 88 G HA3 -0.084 3.882 3.960 0.009 0.000 0.205 88 G C 0.091 175.003 174.900 0.021 0.000 1.071 88 G CA 0.212 45.305 45.100 -0.011 0.000 0.788 88 G HN 0.380 nan 8.290 nan 0.000 0.491 89 V N -4.033 115.889 119.914 0.013 0.000 3.105 89 V HA 0.900 5.025 4.120 0.009 0.000 0.311 89 V C 0.453 176.554 176.094 0.011 0.000 1.282 89 V CA -1.892 60.431 62.300 0.039 0.000 1.065 89 V CB 1.214 33.083 31.823 0.077 0.000 1.136 89 V HN 0.363 nan 8.190 nan 0.000 0.469 90 R N 0.582 121.090 120.500 0.013 0.000 2.500 90 R HA 0.465 4.811 4.340 0.009 0.000 0.277 90 R C -1.918 174.380 176.300 -0.004 0.000 1.026 90 R CA -1.521 54.579 56.100 -0.000 0.000 1.058 90 R CB 1.088 31.386 30.300 -0.004 0.000 1.078 90 R HN 0.524 nan 8.270 nan 0.000 0.509 91 P HA -0.254 nan 4.420 nan 0.000 0.217 91 P C 0.337 177.636 177.300 -0.002 0.000 1.148 91 P CA 1.452 64.545 63.100 -0.012 0.000 0.834 91 P CB 0.106 31.793 31.700 -0.023 0.000 0.783 92 E N 0.001 120.199 120.200 -0.003 0.000 2.478 92 E HA -0.120 4.235 4.350 0.009 0.000 0.198 92 E C 1.085 177.690 176.600 0.008 0.000 1.046 92 E CA 0.671 57.071 56.400 -0.000 0.000 0.870 92 E CB -0.626 29.068 29.700 -0.010 0.000 0.818 92 E HN 0.343 nan 8.360 nan 0.000 0.527 93 E N 0.755 120.964 120.200 0.015 0.000 2.465 93 E HA 0.126 4.481 4.350 0.009 0.000 0.195 93 E C -0.751 175.879 176.600 0.050 0.000 1.028 93 E CA -0.202 56.218 56.400 0.033 0.000 0.899 93 E CB 1.190 30.918 29.700 0.047 0.000 1.032 93 E HN 0.022 nan 8.360 nan 0.000 0.468 94 V N 2.076 122.017 119.914 0.045 0.000 2.448 94 V HA 0.273 4.399 4.120 0.009 0.000 0.295 94 V C -0.659 175.493 176.094 0.097 0.000 1.025 94 V CA -0.935 61.406 62.300 0.069 0.000 0.859 94 V CB 1.667 33.507 31.823 0.028 0.000 0.988 94 V HN 0.081 nan 8.190 nan 0.000 0.431 95 L N 6.472 127.777 121.223 0.136 0.000 2.296 95 L HA 0.606 4.951 4.340 0.009 0.000 0.286 95 L C -0.414 176.575 176.870 0.199 0.000 1.023 95 L CA -0.081 54.842 54.840 0.140 0.000 0.812 95 L CB 1.196 43.324 42.059 0.115 0.000 1.223 95 L HN 0.413 nan 8.230 nan 0.000 0.421 96 I N 4.363 125.051 120.570 0.197 0.000 2.416 96 I HA 0.296 4.471 4.170 0.009 0.000 0.288 96 I C 0.656 176.885 176.117 0.186 0.000 1.051 96 I CA 0.029 61.474 61.300 0.242 0.000 1.375 96 I CB 0.701 38.846 38.000 0.241 0.000 1.407 96 I HN 0.772 nan 8.210 nan 0.000 0.516 97 T N 1.135 115.795 114.554 0.176 0.000 2.942 97 T HA 0.425 4.780 4.350 0.009 0.000 0.289 97 T C 0.153 174.917 174.700 0.108 0.000 1.044 97 T CA -0.682 61.487 62.100 0.116 0.000 1.023 97 T CB 1.540 70.453 68.868 0.076 0.000 1.123 97 T HN 0.472 nan 8.240 nan 0.000 0.512 98 T N 2.145 116.743 114.554 0.075 0.000 3.688 98 T HA 0.579 4.934 4.350 0.009 0.000 0.307 98 T C 0.760 175.488 174.700 0.047 0.000 1.382 98 T CA 0.326 62.461 62.100 0.059 0.000 1.136 98 T CB -1.003 67.885 68.868 0.035 0.000 1.207 98 T HN 1.388 nan 8.240 nan 0.000 0.854 99 G N 1.441 110.274 108.800 0.055 0.000 2.733 99 G HA2 -0.205 3.760 3.960 0.009 0.000 0.686 99 G HA3 -0.205 3.760 3.960 0.009 0.000 0.686 99 G C 0.762 175.660 174.900 -0.004 0.000 1.373 99 G CA -0.453 44.664 45.100 0.028 0.000 0.838 99 G HN 0.358 nan 8.290 nan 0.000 0.588 100 S N -0.121 115.549 115.700 -0.050 0.000 2.447 100 S HA -0.122 4.353 4.470 0.009 0.000 0.233 100 S C 2.199 176.801 174.600 0.003 0.000 1.006 100 S CA 1.881 60.038 58.200 -0.072 0.000 0.957 100 S CB -0.068 63.047 63.200 -0.141 0.000 0.773 100 S HN 0.810 nan 8.310 nan 0.000 0.507 101 Q N 2.059 121.877 119.800 0.031 0.000 2.096 101 Q HA -0.172 4.174 4.340 0.009 0.000 0.204 101 Q C 2.072 178.083 176.000 0.017 0.000 0.982 101 Q CA 1.829 57.653 55.803 0.035 0.000 0.850 101 Q CB -0.410 28.349 28.738 0.034 0.000 0.901 101 Q HN 0.663 nan 8.270 nan 0.000 0.422 102 Q N -1.123 118.690 119.800 0.022 0.000 2.124 102 Q HA -0.157 4.188 4.340 0.009 0.000 0.202 102 Q C 1.841 177.866 176.000 0.042 0.000 0.977 102 Q CA 1.455 57.275 55.803 0.029 0.000 0.850 102 Q CB -0.299 28.459 28.738 0.033 0.000 0.901 102 Q HN 0.486 nan 8.270 nan 0.000 0.429 103 A N 0.739 123.580 122.820 0.035 0.000 1.902 103 A HA -0.155 4.170 4.320 0.009 0.000 0.217 103 A C 2.027 179.660 177.584 0.081 0.000 1.181 103 A CA 1.237 53.300 52.037 0.044 0.000 0.623 103 A CB -0.660 18.341 19.000 0.002 0.000 0.818 103 A HN 0.454 nan 8.150 nan 0.000 0.443 104 L N -0.699 120.574 121.223 0.083 0.000 2.056 104 L HA -0.184 4.161 4.340 0.009 0.000 0.207 104 L C 2.415 179.406 176.870 0.202 0.000 1.078 104 L CA 1.638 56.562 54.840 0.140 0.000 0.749 104 L CB -0.601 41.425 42.059 -0.056 0.000 0.901 104 L HN 0.413 nan 8.230 nan 0.000 0.433 105 D N 0.396 120.855 120.400 0.098 0.000 2.104 105 D HA -0.187 4.459 4.640 0.009 0.000 0.194 105 D C 2.266 178.643 176.300 0.129 0.000 0.994 105 D CA 1.434 55.495 54.000 0.102 0.000 0.830 105 D CB -0.016 40.812 40.800 0.046 0.000 0.959 105 D HN 0.181 nan 8.370 nan 0.000 0.452 106 L N -0.423 120.864 121.223 0.106 0.000 2.056 106 L HA -0.118 4.227 4.340 0.009 0.000 0.207 106 L C 2.670 179.615 176.870 0.124 0.000 1.078 106 L CA 0.512 55.408 54.840 0.093 0.000 0.749 106 L CB -0.509 41.594 42.059 0.073 0.000 0.901 106 L HN 0.017 nan 8.230 nan 0.000 0.433 107 V N 0.568 120.577 119.914 0.159 0.000 2.332 107 V HA -0.261 3.864 4.120 0.009 0.000 0.248 107 V C 2.647 178.887 176.094 0.245 0.000 1.055 107 V CA 2.169 64.579 62.300 0.184 0.000 1.038 107 V CB -1.224 30.607 31.823 0.012 0.000 0.651 107 V HN 0.591 nan 8.190 nan 0.000 0.450 108 G N -0.423 108.547 108.800 0.283 0.000 2.440 108 G HA2 -0.265 3.700 3.960 0.009 0.000 0.218 108 G HA3 -0.265 3.700 3.960 0.009 0.000 0.218 108 G C 1.644 176.654 174.900 0.184 0.000 1.154 108 G CA 0.996 46.267 45.100 0.285 0.000 0.767 108 G HN 0.496 nan 8.290 nan 0.000 0.552 109 K N -0.241 120.239 120.400 0.133 0.000 2.057 109 K HA 0.009 4.335 4.320 0.009 0.000 0.207 109 K C 2.498 179.109 176.600 0.019 0.000 1.049 109 K CA 1.138 57.465 56.287 0.066 0.000 0.931 109 K CB -0.416 32.111 32.500 0.046 0.000 0.714 109 K HN 0.206 nan 8.250 nan 0.000 0.440 110 V N 0.066 119.972 119.914 -0.013 0.000 2.453 110 V HA -0.149 3.976 4.120 0.009 0.000 0.247 110 V C 1.301 177.209 176.094 -0.311 0.000 1.048 110 V CA 1.636 63.808 62.300 -0.214 0.000 1.049 110 V CB -0.178 31.416 31.823 -0.382 0.000 0.672 110 V HN 0.185 nan 8.190 nan 0.000 0.457 111 F N -0.363 119.612 119.950 0.043 0.000 2.622 111 F HA 0.437 4.969 4.527 0.009 0.000 0.288 111 F C 0.839 176.676 175.800 0.061 0.000 1.120 111 F CA -0.005 58.046 58.000 0.084 0.000 1.423 111 F CB 0.335 39.448 39.000 0.187 0.000 1.127 111 F HN -0.008 nan 8.300 nan 0.000 0.588 112 L N 0.537 121.877 121.223 0.194 0.000 2.334 112 L HA 0.446 4.792 4.340 0.009 0.000 0.276 112 L C -0.791 176.091 176.870 0.021 0.000 1.014 112 L CA -0.751 54.128 54.840 0.065 0.000 0.815 112 L CB 1.528 43.593 42.059 0.010 0.000 1.268 112 L HN -0.109 nan 8.230 nan 0.000 0.428 113 D N 0.506 120.897 120.400 -0.015 0.000 2.566 113 D HA 0.239 4.884 4.640 0.009 0.000 0.254 113 D C -0.803 175.473 176.300 -0.039 0.000 1.090 113 D CA -0.685 53.304 54.000 -0.018 0.000 1.034 113 D CB 1.460 42.252 40.800 -0.014 0.000 1.434 113 D HN 0.426 nan 8.370 nan 0.000 0.509 114 E N -0.149 120.035 120.200 -0.026 0.000 2.585 114 E HA 0.276 4.632 4.350 0.009 0.000 0.252 114 E C 0.984 177.561 176.600 -0.039 0.000 0.981 114 E CA 0.828 57.210 56.400 -0.029 0.000 0.943 114 E CB 0.124 29.817 29.700 -0.012 0.000 0.923 114 E HN 0.720 nan 8.360 nan 0.000 0.486 115 G N 2.994 111.761 108.800 -0.055 0.000 2.234 115 G HA2 -0.355 3.610 3.960 0.009 0.000 0.260 115 G HA3 -0.355 3.610 3.960 0.009 0.000 0.260 115 G C 0.574 175.426 174.900 -0.081 0.000 0.987 115 G CA 0.209 45.274 45.100 -0.058 0.000 0.625 115 G HN 0.549 nan 8.290 nan 0.000 0.532 116 S N 3.314 118.957 115.700 -0.094 0.000 2.626 116 S HA 0.367 4.842 4.470 0.009 0.000 0.303 116 S C -1.519 172.974 174.600 -0.177 0.000 1.256 116 S CA 0.184 58.314 58.200 -0.117 0.000 1.069 116 S CB 0.876 64.004 63.200 -0.120 0.000 0.807 116 S HN 0.458 nan 8.310 nan 0.000 0.500 117 P HA 0.258 nan 4.420 nan 0.000 0.276 117 P C -1.124 175.995 177.300 -0.301 0.000 1.230 117 P CA -0.362 62.624 63.100 -0.190 0.000 0.776 117 P CB 0.680 32.307 31.700 -0.121 0.000 0.888 118 V N 2.961 122.653 119.914 -0.369 0.000 2.709 118 V HA 0.472 4.598 4.120 0.009 0.000 0.308 118 V C -0.121 175.821 176.094 -0.253 0.000 1.062 118 V CA -1.036 60.953 62.300 -0.518 0.000 0.901 118 V CB 1.950 33.341 31.823 -0.719 0.000 1.003 118 V HN 0.402 nan 8.190 nan 0.000 0.425 119 L N 5.509 126.604 121.223 -0.214 0.000 2.317 119 L HA 0.878 5.223 4.340 0.009 0.000 0.281 119 L C -0.578 176.343 176.870 0.086 0.000 1.024 119 L CA -0.192 54.631 54.840 -0.028 0.000 0.810 119 L CB 1.313 43.358 42.059 -0.023 0.000 1.240 119 L HN 0.848 nan 8.230 nan 0.000 0.427 120 L N 0.602 121.924 121.223 0.166 0.000 2.654 120 L HA 0.676 5.022 4.340 0.009 0.000 0.257 120 L C -1.126 175.824 176.870 0.134 0.000 1.093 120 L CA -1.054 53.926 54.840 0.234 0.000 0.903 120 L CB 1.893 44.187 42.059 0.392 0.000 1.520 120 L HN 0.493 nan 8.230 nan 0.000 0.402 121 E N 0.471 120.730 120.200 0.098 0.000 2.314 121 E HA 0.631 4.987 4.350 0.009 0.000 0.262 121 E C -0.664 175.907 176.600 -0.048 0.000 1.093 121 E CA -0.597 55.808 56.400 0.009 0.000 0.908 121 E CB 1.622 31.295 29.700 -0.045 0.000 1.091 121 E HN 0.699 nan 8.360 nan 0.000 0.425 122 A N 3.148 125.925 122.820 -0.072 0.000 2.291 122 A HA 0.457 4.782 4.320 0.009 0.000 0.311 122 A C -2.371 175.025 177.584 -0.313 0.000 1.224 122 A CA -1.530 50.397 52.037 -0.184 0.000 0.821 122 A CB 0.539 19.617 19.000 0.131 0.000 1.172 122 A HN 0.335 nan 8.150 nan 0.000 0.494 123 P HA 0.492 nan 4.420 nan 0.000 0.282 123 P C 0.036 177.050 177.300 -0.477 0.000 1.287 123 P CA -0.168 62.309 63.100 -1.038 0.000 0.792 123 P CB 1.733 32.645 31.700 -1.313 0.000 1.163 124 S N -1.579 113.957 115.700 -0.273 0.000 2.843 124 S HA 0.372 4.848 4.470 0.009 0.000 0.301 124 S C -1.590 173.101 174.600 0.151 0.000 1.206 124 S CA -0.532 57.650 58.200 -0.030 0.000 0.875 124 S CB -0.014 63.250 63.200 0.107 0.000 1.248 124 S HN 0.350 nan 8.310 nan 0.000 0.555 125 Y N 3.479 123.850 120.300 0.119 0.000 2.402 125 Y HA 0.316 4.870 4.550 0.008 0.000 0.333 125 Y C 1.522 177.401 175.900 -0.035 0.000 1.076 125 Y CA -0.037 58.140 58.100 0.128 0.000 1.299 125 Y CB 0.509 39.084 38.460 0.193 0.000 1.197 125 Y HN 0.701 nan 8.280 nan 0.000 0.517 126 M N 3.225 122.585 119.600 -0.400 0.000 2.374 126 M HA 0.095 4.580 4.480 0.009 0.000 0.264 126 M C 1.713 177.528 176.300 -0.808 0.000 1.067 126 M CA 1.743 56.682 55.300 -0.601 0.000 1.103 126 M CB -0.607 31.608 32.600 -0.642 0.000 1.402 126 M HN 0.711 nan 8.290 nan 0.000 0.444 127 G N 0.674 108.609 108.800 -1.442 0.000 2.408 127 G HA2 0.024 3.990 3.960 0.009 0.000 0.217 127 G HA3 0.024 3.990 3.960 0.009 0.000 0.217 127 G C 1.669 176.067 174.900 -0.837 0.000 1.150 127 G CA 0.933 45.394 45.100 -1.066 0.000 0.776 127 G HN 0.595 nan 8.290 nan 0.000 0.542 128 A N 1.069 123.307 122.820 -0.970 0.000 1.858 128 A HA 0.027 4.352 4.320 0.009 0.000 0.216 128 A C 2.386 179.286 177.584 -1.140 0.000 1.190 128 A CA 1.364 52.703 52.037 -1.162 0.000 0.617 128 A CB -0.452 17.780 19.000 -1.280 0.000 0.827 128 A HN 0.346 nan 8.150 nan 0.000 0.443 129 I N -0.731 119.445 120.570 -0.656 0.000 2.151 129 I HA -0.349 3.826 4.170 0.009 0.000 0.243 129 I C 2.813 178.771 176.117 -0.265 0.000 1.080 129 I CA 2.067 63.130 61.300 -0.395 0.000 1.339 129 I CB -0.406 37.325 38.000 -0.449 0.000 1.039 129 I HN 0.440 nan 8.210 nan 0.000 0.409 130 Q N 0.976 120.568 119.800 -0.348 0.000 2.084 130 Q HA -0.184 4.161 4.340 0.009 0.000 0.202 130 Q C 2.191 178.094 176.000 -0.163 0.000 0.978 130 Q CA 2.255 57.921 55.803 -0.228 0.000 0.844 130 Q CB -0.265 28.319 28.738 -0.256 0.000 0.898 130 Q HN 0.524 nan 8.270 nan 0.000 0.426 131 A N -0.579 122.075 122.820 -0.276 0.000 1.898 131 A HA -0.107 4.218 4.320 0.009 0.000 0.216 131 A C 1.686 179.322 177.584 0.087 0.000 1.181 131 A CA 1.344 53.292 52.037 -0.147 0.000 0.620 131 A CB -0.732 18.132 19.000 -0.227 0.000 0.819 131 A HN 0.465 nan 8.150 nan 0.000 0.442 132 F N -0.357 119.631 119.950 0.062 0.000 2.206 132 F HA 0.049 4.582 4.527 0.010 0.000 0.298 132 F C 2.242 178.095 175.800 0.087 0.000 1.090 132 F CA 0.778 58.838 58.000 0.100 0.000 1.323 132 F CB -1.072 38.018 39.000 0.150 0.000 1.028 132 F HN 0.194 nan 8.300 nan 0.000 0.492 133 R N 0.760 121.485 120.500 0.375 0.000 2.170 133 R HA -0.165 4.180 4.340 0.009 0.000 0.242 133 R C 2.267 178.645 176.300 0.129 0.000 1.145 133 R CA 0.747 57.020 56.100 0.288 0.000 0.984 133 R CB -0.509 29.933 30.300 0.236 0.000 0.869 133 R HN 0.326 nan 8.270 nan 0.000 0.455 134 L N 0.442 121.725 121.223 0.099 0.000 2.187 134 L HA -0.194 4.151 4.340 0.009 0.000 0.213 134 L C 1.183 178.083 176.870 0.050 0.000 1.100 134 L CA 1.431 56.304 54.840 0.056 0.000 0.765 134 L CB -0.098 41.990 42.059 0.049 0.000 0.904 134 L HN 0.355 nan 8.230 nan 0.000 0.437 135 Q N -0.271 119.565 119.800 0.060 0.000 2.403 135 Q HA 0.115 4.460 4.340 0.009 0.000 0.203 135 Q C 1.201 177.197 176.000 -0.006 0.000 0.932 135 Q CA 0.732 56.553 55.803 0.029 0.000 0.945 135 Q CB 0.059 28.819 28.738 0.035 0.000 1.045 135 Q HN 0.551 nan 8.270 nan 0.000 0.511 136 G N 3.057 111.855 108.800 -0.004 0.000 2.295 136 G HA2 -0.211 3.755 3.960 0.009 0.000 0.287 136 G HA3 -0.211 3.755 3.960 0.009 0.000 0.287 136 G C -2.269 172.576 174.900 -0.092 0.000 1.055 136 G CA 0.136 45.223 45.100 -0.022 0.000 0.922 136 G HN 0.253 nan 8.290 nan 0.000 0.503 137 P HA 0.338 nan 4.420 nan 0.000 0.279 137 P C -0.190 176.900 177.300 -0.350 0.000 1.276 137 P CA -0.771 62.137 63.100 -0.320 0.000 0.801 137 P CB 0.883 32.277 31.700 -0.511 0.000 1.127 138 R N 0.974 121.299 120.500 -0.291 0.000 2.215 138 R HA 0.357 4.703 4.340 0.009 0.000 0.336 138 R C -0.824 175.350 176.300 -0.211 0.000 0.996 138 R CA -0.527 55.471 56.100 -0.171 0.000 0.847 138 R CB -0.388 29.863 30.300 -0.082 0.000 1.127 138 R HN 0.252 nan 8.270 nan 0.000 0.465 139 F N 5.442 125.383 119.950 -0.016 0.000 2.467 139 F HA 0.231 4.764 4.527 0.010 0.000 0.362 139 F C 0.122 175.918 175.800 -0.007 0.000 1.090 139 F CA -0.256 57.737 58.000 -0.011 0.000 1.202 139 F CB 0.802 39.814 39.000 0.020 0.000 1.113 139 F HN 0.253 nan 8.300 nan 0.000 0.541 140 L N 3.455 124.767 121.223 0.148 0.000 2.329 140 L HA 0.661 5.006 4.340 0.009 0.000 0.279 140 L C 0.037 176.975 176.870 0.114 0.000 1.014 140 L CA -0.696 54.201 54.840 0.094 0.000 0.814 140 L CB 2.050 44.126 42.059 0.027 0.000 1.257 140 L HN 0.636 nan 8.230 nan 0.000 0.424 141 T N -0.430 114.183 114.554 0.098 0.000 2.916 141 T HA 0.806 5.161 4.350 0.009 0.000 0.292 141 T C -0.742 173.998 174.700 0.067 0.000 1.055 141 T CA -0.768 61.387 62.100 0.091 0.000 1.009 141 T CB 2.230 71.159 68.868 0.103 0.000 1.118 141 T HN 0.219 nan 8.240 nan 0.000 0.497 142 V N 2.460 122.407 119.914 0.055 0.000 2.789 142 V HA 0.575 4.701 4.120 0.009 0.000 0.311 142 V C -2.512 173.605 176.094 0.038 0.000 1.073 142 V CA -2.297 60.028 62.300 0.041 0.000 0.921 142 V CB 2.311 34.150 31.823 0.025 0.000 1.009 142 V HN 0.848 nan 8.190 nan 0.000 0.426 143 P HA 0.346 nan 4.420 nan 0.000 0.271 143 P C -1.048 176.255 177.300 0.004 0.000 1.218 143 P CA -0.088 63.041 63.100 0.050 0.000 0.780 143 P CB 0.675 32.417 31.700 0.071 0.000 0.901 144 A N 2.447 125.247 122.820 -0.034 0.000 2.288 144 A HA 0.707 5.032 4.320 0.009 0.000 0.320 144 A C 0.438 177.985 177.584 -0.062 0.000 1.217 144 A CA -0.275 51.715 52.037 -0.078 0.000 0.840 144 A CB 0.662 19.566 19.000 -0.159 0.000 1.179 144 A HN 0.578 nan 8.150 nan 0.000 0.504 145 G N 0.060 108.836 108.800 -0.039 0.000 2.828 145 G HA2 0.448 4.413 3.960 0.009 0.000 0.244 145 G HA3 0.448 4.413 3.960 0.009 0.000 0.244 145 G C 0.415 175.300 174.900 -0.025 0.000 1.365 145 G CA 0.112 45.205 45.100 -0.011 0.000 1.041 145 G HN 0.737 nan 8.290 nan 0.000 0.560 146 E N -0.891 119.312 120.200 0.006 0.000 2.435 146 E HA 0.032 4.387 4.350 0.009 0.000 0.195 146 E C 1.240 177.841 176.600 0.002 0.000 1.029 146 E CA 0.571 56.980 56.400 0.014 0.000 0.865 146 E CB 0.126 29.853 29.700 0.046 0.000 0.833 146 E HN 0.532 nan 8.360 nan 0.000 0.510 147 E N -0.031 120.163 120.200 -0.009 0.000 2.496 147 E HA 0.231 4.586 4.350 0.009 0.000 0.200 147 E C 0.209 176.784 176.600 -0.041 0.000 1.016 147 E CA 0.055 56.442 56.400 -0.022 0.000 0.962 147 E CB 0.945 30.637 29.700 -0.013 0.000 1.071 147 E HN 0.359 nan 8.360 nan 0.000 0.457 148 G N 2.512 111.280 108.800 -0.053 0.000 2.548 148 G HA2 -0.188 3.777 3.960 0.009 0.000 0.208 148 G HA3 -0.188 3.777 3.960 0.009 0.000 0.208 148 G C -2.769 172.098 174.900 -0.055 0.000 1.308 148 G CA -1.027 44.032 45.100 -0.068 0.000 0.924 148 G HN 0.013 nan 8.290 nan 0.000 0.540 149 P HA 0.270 nan 4.420 nan 0.000 0.272 149 P C -0.804 176.482 177.300 -0.022 0.000 1.223 149 P CA 0.004 63.083 63.100 -0.035 0.000 0.784 149 P CB 0.682 32.363 31.700 -0.031 0.000 0.923 150 D N 2.107 122.501 120.400 -0.010 0.000 2.344 150 D HA 0.051 4.697 4.640 0.009 0.000 0.253 150 D C 1.159 177.456 176.300 -0.005 0.000 1.255 150 D CA 0.002 54.000 54.000 -0.003 0.000 0.894 150 D CB 0.074 40.880 40.800 0.009 0.000 1.067 150 D HN 0.226 nan 8.370 nan 0.000 0.492 151 L N 2.717 123.934 121.223 -0.010 0.000 2.291 151 L HA -0.061 4.284 4.340 0.009 0.000 0.214 151 L C 1.506 178.371 176.870 -0.009 0.000 1.120 151 L CA 0.423 55.255 54.840 -0.013 0.000 0.799 151 L CB -0.017 42.030 42.059 -0.020 0.000 0.925 151 L HN 0.306 nan 8.230 nan 0.000 0.446 152 D N 0.620 121.017 120.400 -0.006 0.000 2.123 152 D HA -0.082 4.564 4.640 0.009 0.000 0.200 152 D C 2.279 178.580 176.300 0.001 0.000 0.976 152 D CA 1.381 55.379 54.000 -0.003 0.000 0.831 152 D CB 0.146 40.946 40.800 -0.001 0.000 0.974 152 D HN 0.245 nan 8.370 nan 0.000 0.469 153 A N 0.976 123.799 122.820 0.005 0.000 1.902 153 A HA -0.137 4.188 4.320 0.009 0.000 0.217 153 A C 2.162 179.751 177.584 0.008 0.000 1.181 153 A CA 0.988 53.031 52.037 0.010 0.000 0.623 153 A CB -0.696 18.314 19.000 0.018 0.000 0.818 153 A HN 0.238 nan 8.150 nan 0.000 0.443 154 L N 0.272 121.497 121.223 0.004 0.000 2.017 154 L HA -0.169 4.176 4.340 0.009 0.000 0.208 154 L C 2.283 179.151 176.870 -0.003 0.000 1.073 154 L CA 2.814 57.655 54.840 0.001 0.000 0.745 154 L CB -0.799 41.258 42.059 -0.003 0.000 0.894 154 L HN 0.615 nan 8.230 nan 0.000 0.432 155 E N -0.748 119.448 120.200 -0.007 0.000 2.114 155 E HA -0.280 4.075 4.350 0.009 0.000 0.199 155 E C 1.927 178.523 176.600 -0.006 0.000 1.008 155 E CA 1.771 58.165 56.400 -0.010 0.000 0.810 155 E CB -0.091 29.603 29.700 -0.011 0.000 0.739 155 E HN 0.598 nan 8.360 nan 0.000 0.456 156 E N -0.076 120.123 120.200 -0.002 0.000 2.107 156 E HA -0.117 4.238 4.350 0.009 0.000 0.191 156 E C 2.299 178.899 176.600 0.001 0.000 0.982 156 E CA 0.934 57.334 56.400 0.000 0.000 0.809 156 E CB -0.008 29.695 29.700 0.004 0.000 0.756 156 E HN 0.239 nan 8.360 nan 0.000 0.459 157 V N 1.394 121.309 119.914 0.003 0.000 2.427 157 V HA -0.209 3.917 4.120 0.009 0.000 0.248 157 V C 2.198 178.290 176.094 -0.004 0.000 1.051 157 V CA 1.055 63.356 62.300 0.003 0.000 1.048 157 V CB -0.299 31.528 31.823 0.007 0.000 0.666 157 V HN 0.171 nan 8.190 nan 0.000 0.456 158 L N -0.382 120.837 121.223 -0.007 0.000 2.376 158 L HA -0.027 4.318 4.340 0.009 0.000 0.219 158 L C 2.152 179.016 176.870 -0.010 0.000 1.133 158 L CA 1.522 56.356 54.840 -0.010 0.000 0.816 158 L CB -1.005 41.046 42.059 -0.013 0.000 0.933 158 L HN 0.320 nan 8.230 nan 0.000 0.449 159 K N -1.071 119.325 120.400 -0.008 0.000 2.167 159 K HA -0.054 4.271 4.320 0.009 0.000 0.203 159 K C 2.146 178.742 176.600 -0.006 0.000 1.052 159 K CA 0.684 56.967 56.287 -0.007 0.000 0.956 159 K CB 0.109 32.606 32.500 -0.005 0.000 0.735 159 K HN 0.061 nan 8.250 nan 0.000 0.451 160 R N 0.284 120.781 120.500 -0.005 0.000 2.112 160 R HA 0.083 4.428 4.340 0.009 0.000 0.216 160 R C 0.019 176.314 176.300 -0.007 0.000 1.080 160 R CA 0.689 56.786 56.100 -0.004 0.000 0.996 160 R CB 0.419 30.719 30.300 -0.001 0.000 0.902 160 R HN -0.025 nan 8.270 nan 0.000 0.449 161 E N -0.976 119.217 120.200 -0.010 0.000 2.372 161 E HA 0.298 4.653 4.350 0.009 0.000 0.279 161 E C -1.554 175.034 176.600 -0.020 0.000 0.946 161 E CA -0.721 55.669 56.400 -0.016 0.000 0.769 161 E CB 1.249 30.937 29.700 -0.019 0.000 1.230 161 E HN -0.089 nan 8.360 nan 0.000 0.442 162 R N 3.855 124.341 120.500 -0.024 0.000 2.287 162 R HA 0.443 4.789 4.340 0.009 0.000 0.316 162 R C -2.198 174.076 176.300 -0.043 0.000 1.050 162 R CA -1.943 54.143 56.100 -0.024 0.000 0.983 162 R CB 0.747 31.040 30.300 -0.011 0.000 1.140 162 R HN 0.355 nan 8.270 nan 0.000 0.528 163 P HA 0.055 nan 4.420 nan 0.000 0.271 163 P C -0.008 177.224 177.300 -0.113 0.000 1.218 163 P CA -0.359 62.668 63.100 -0.123 0.000 0.780 163 P CB 0.933 32.546 31.700 -0.144 0.000 0.901 164 R N 1.487 121.887 120.500 -0.166 0.000 2.117 164 R HA -0.056 4.289 4.340 0.009 0.000 0.243 164 R C 0.956 177.256 176.300 0.000 0.000 1.143 164 R CA 1.438 57.502 56.100 -0.060 0.000 0.968 164 R CB -0.989 29.280 30.300 -0.052 0.000 0.863 164 R HN 0.717 nan 8.270 nan 0.000 0.444 165 F N -3.851 115.994 119.950 -0.176 0.000 2.807 165 F HA 0.478 5.010 4.527 0.008 0.000 0.316 165 F C -1.693 174.041 175.800 -0.111 0.000 1.162 165 F CA -1.799 56.080 58.000 -0.203 0.000 0.910 165 F CB 0.588 39.353 39.000 -0.392 0.000 1.314 165 F HN -0.338 nan 8.300 nan 0.000 0.454 166 L N 2.463 123.809 121.223 0.206 0.000 2.313 166 L HA 0.445 4.790 4.340 0.009 0.000 0.283 166 L C -1.045 176.044 176.870 0.366 0.000 1.013 166 L CA -0.712 54.230 54.840 0.170 0.000 0.816 166 L CB 1.187 43.299 42.059 0.088 0.000 1.236 166 L HN 0.684 nan 8.230 nan 0.000 0.419 167 Y N 4.533 124.998 120.300 0.276 0.000 2.353 167 Y HA 0.754 5.309 4.550 0.008 0.000 0.340 167 Y C -1.142 174.868 175.900 0.184 0.000 0.972 167 Y CA -0.533 57.760 58.100 0.322 0.000 1.157 167 Y CB 0.758 39.551 38.460 0.555 0.000 1.157 167 Y HN 0.483 nan 8.280 nan 0.000 0.495 168 L N 7.356 128.313 121.223 -0.444 0.000 2.388 168 L HA 0.554 4.900 4.340 0.009 0.000 0.264 168 L C -0.930 175.657 176.870 -0.472 0.000 0.998 168 L CA -0.970 53.660 54.840 -0.350 0.000 0.817 168 L CB 2.647 44.617 42.059 -0.149 0.000 1.338 168 L HN 0.555 nan 8.230 nan 0.000 0.414 169 I N 2.070 122.455 120.570 -0.308 0.000 2.750 169 I HA 0.235 4.410 4.170 0.009 0.000 0.279 169 I C -1.877 174.135 176.117 -0.176 0.000 1.206 169 I CA -1.330 59.835 61.300 -0.225 0.000 1.101 169 I CB 1.095 39.010 38.000 -0.142 0.000 1.431 169 I HN 0.373 nan 8.210 nan 0.000 0.551 170 P HA -0.097 nan 4.420 nan 0.000 0.216 170 P C 0.171 177.301 177.300 -0.283 0.000 1.153 170 P CA 1.285 64.276 63.100 -0.182 0.000 0.858 170 P CB 0.226 31.841 31.700 -0.142 0.000 0.789 171 S N 0.170 115.662 115.700 -0.348 0.000 2.474 171 S HA 0.405 4.880 4.470 0.009 0.000 0.320 171 S C -0.714 173.503 174.600 -0.639 0.000 1.067 171 S CA -0.503 57.252 58.200 -0.742 0.000 1.127 171 S CB -0.703 62.105 63.200 -0.654 0.000 0.971 171 S HN 0.059 nan 8.310 nan 0.000 0.472 172 F N 0.155 120.049 119.950 -0.093 0.000 2.890 172 F HA -0.171 4.362 4.527 0.011 0.000 0.333 172 F C 0.652 176.332 175.800 -0.200 0.000 1.012 172 F CA -0.201 57.691 58.000 -0.180 0.000 1.090 172 F CB -2.171 36.666 39.000 -0.273 0.000 1.281 172 F HN 0.616 nan 8.300 nan 0.000 0.786 173 Q N 1.597 121.367 119.800 -0.051 0.000 2.304 173 Q HA -0.079 4.266 4.340 0.009 0.000 0.315 173 Q C 0.494 176.454 176.000 -0.066 0.000 1.075 173 Q CA 0.378 56.138 55.803 -0.072 0.000 0.988 173 Q CB 0.475 29.132 28.738 -0.135 0.000 1.146 173 Q HN 0.430 nan 8.270 nan 0.000 0.383 174 N N 5.236 123.933 118.700 -0.005 0.000 2.422 174 N HA 0.175 4.921 4.740 0.009 0.000 0.264 174 N C -2.122 173.277 175.510 -0.184 0.000 1.063 174 N CA -1.877 51.134 53.050 -0.066 0.000 0.959 174 N CB 1.157 39.716 38.487 0.120 0.000 1.087 174 N HN 0.382 nan 8.380 nan 0.000 0.483 175 P HA 0.108 nan 4.420 nan 0.000 0.275 175 P C 0.788 177.722 177.300 -0.610 0.000 1.310 175 P CA 0.300 62.898 63.100 -0.836 0.000 0.904 175 P CB 0.222 31.030 31.700 -1.486 0.000 1.381 176 T N -4.224 109.946 114.554 -0.638 0.000 2.995 176 T HA 0.154 4.509 4.350 0.009 0.000 0.269 176 T C 1.701 176.354 174.700 -0.079 0.000 1.091 176 T CA 1.210 63.007 62.100 -0.505 0.000 1.128 176 T CB -1.285 67.236 68.868 -0.580 0.000 0.891 176 T HN 0.186 nan 8.240 nan 0.000 0.492 177 G N 0.890 109.677 108.800 -0.023 0.000 2.162 177 G HA2 -0.107 3.858 3.960 0.009 0.000 0.260 177 G HA3 -0.107 3.858 3.960 0.009 0.000 0.260 177 G C 0.441 175.391 174.900 0.084 0.000 0.976 177 G CA 0.013 45.155 45.100 0.071 0.000 0.655 177 G HN 1.079 nan 8.290 nan 0.000 0.533 178 G N -0.456 108.339 108.800 -0.008 0.000 2.441 178 G HA2 0.504 4.469 3.960 0.009 0.000 0.243 178 G HA3 0.504 4.469 3.960 0.009 0.000 0.243 178 G C -0.025 174.849 174.900 -0.045 0.000 1.281 178 G CA -0.095 44.995 45.100 -0.017 0.000 0.854 178 G HN 0.867 nan 8.290 nan 0.000 0.560 179 L N 2.933 124.131 121.223 -0.041 0.000 2.316 179 L HA 0.381 4.726 4.340 0.009 0.000 0.280 179 L C 0.083 176.879 176.870 -0.124 0.000 1.006 179 L CA -0.395 54.354 54.840 -0.151 0.000 0.836 179 L CB 1.010 43.028 42.059 -0.068 0.000 1.221 179 L HN 0.430 nan 8.230 nan 0.000 0.418 180 T N 7.515 121.976 114.554 -0.156 0.000 2.784 180 T HA 0.214 4.569 4.350 0.009 0.000 0.291 180 T C -2.211 172.426 174.700 -0.105 0.000 0.942 180 T CA -0.559 61.474 62.100 -0.112 0.000 1.161 180 T CB 0.416 69.217 68.868 -0.112 0.000 0.885 180 T HN 0.503 nan 8.240 nan 0.000 0.534 181 P HA 0.214 nan 4.420 nan 0.000 0.278 181 P C 1.071 178.336 177.300 -0.058 0.000 1.266 181 P CA -0.775 62.289 63.100 -0.059 0.000 0.807 181 P CB 0.791 32.470 31.700 -0.035 0.000 1.094 182 L N 2.081 123.273 121.223 -0.052 0.000 1.990 182 L HA -0.101 4.244 4.340 0.009 0.000 0.213 182 L C -0.925 175.919 176.870 -0.043 0.000 1.072 182 L CA 2.877 57.687 54.840 -0.050 0.000 0.755 182 L CB -2.618 39.414 42.059 -0.045 0.000 0.889 182 L HN 0.314 nan 8.230 nan 0.000 0.432 183 P HA -0.136 nan 4.420 nan 0.000 0.216 183 P C 1.535 178.813 177.300 -0.036 0.000 1.150 183 P CA 1.957 65.038 63.100 -0.033 0.000 0.837 183 P CB -0.248 31.436 31.700 -0.026 0.000 0.786 184 A N -0.029 122.769 122.820 -0.037 0.000 1.902 184 A HA -0.213 4.112 4.320 0.009 0.000 0.217 184 A C 2.277 179.834 177.584 -0.045 0.000 1.181 184 A CA 1.535 53.548 52.037 -0.040 0.000 0.623 184 A CB -1.083 17.892 19.000 -0.041 0.000 0.818 184 A HN 0.056 nan 8.150 nan 0.000 0.443 185 R N -0.223 120.247 120.500 -0.051 0.000 2.091 185 R HA -0.121 4.224 4.340 0.009 0.000 0.238 185 R C 2.181 178.452 176.300 -0.048 0.000 1.136 185 R CA 1.808 57.877 56.100 -0.051 0.000 0.959 185 R CB -0.260 30.007 30.300 -0.055 0.000 0.856 185 R HN 0.512 nan 8.270 nan 0.000 0.437 186 K N -0.066 120.306 120.400 -0.048 0.000 2.097 186 K HA -0.144 4.181 4.320 0.009 0.000 0.205 186 K C 2.174 178.742 176.600 -0.054 0.000 1.050 186 K CA 1.100 57.356 56.287 -0.050 0.000 0.938 186 K CB -0.071 32.402 32.500 -0.046 0.000 0.718 186 K HN 0.096 nan 8.250 nan 0.000 0.442 187 R N 0.871 121.343 120.500 -0.048 0.000 2.066 187 R HA -0.106 4.239 4.340 0.009 0.000 0.232 187 R C 2.187 178.456 176.300 -0.053 0.000 1.131 187 R CA 0.905 56.976 56.100 -0.048 0.000 0.955 187 R CB -0.240 30.037 30.300 -0.039 0.000 0.851 187 R HN 0.057 nan 8.270 nan 0.000 0.432 188 L N 1.335 122.529 121.223 -0.049 0.000 2.042 188 L HA -0.156 4.190 4.340 0.009 0.000 0.210 188 L C 2.086 178.920 176.870 -0.061 0.000 1.076 188 L CA 1.518 56.330 54.840 -0.047 0.000 0.749 188 L CB -0.893 41.142 42.059 -0.040 0.000 0.893 188 L HN 0.347 nan 8.230 nan 0.000 0.432 189 L N -0.914 120.268 121.223 -0.068 0.000 2.056 189 L HA -0.177 4.168 4.340 0.009 0.000 0.207 189 L C 2.486 179.263 176.870 -0.155 0.000 1.078 189 L CA 1.580 56.362 54.840 -0.098 0.000 0.749 189 L CB -0.707 41.305 42.059 -0.078 0.000 0.901 189 L HN 0.308 nan 8.230 nan 0.000 0.433 190 Q N -0.702 119.025 119.800 -0.122 0.000 2.084 190 Q HA -0.212 4.134 4.340 0.009 0.000 0.202 190 Q C 2.250 178.169 176.000 -0.135 0.000 0.978 190 Q CA 2.282 58.008 55.803 -0.129 0.000 0.844 190 Q CB -0.385 28.299 28.738 -0.089 0.000 0.898 190 Q HN 0.594 nan 8.270 nan 0.000 0.426 191 M N -0.535 119.003 119.600 -0.103 0.000 2.117 191 M HA -0.155 4.330 4.480 0.009 0.000 0.262 191 M C 2.294 178.532 176.300 -0.103 0.000 1.065 191 M CA 1.073 56.322 55.300 -0.085 0.000 1.114 191 M CB -0.286 32.279 32.600 -0.058 0.000 1.361 191 M HN -0.025 nan 8.290 nan 0.000 0.408 192 V N 0.440 120.278 119.914 -0.127 0.000 2.270 192 V HA -0.264 3.861 4.120 0.009 0.000 0.245 192 V C 2.384 178.309 176.094 -0.283 0.000 1.043 192 V CA 1.748 63.967 62.300 -0.134 0.000 1.014 192 V CB -0.459 31.317 31.823 -0.078 0.000 0.645 192 V HN 0.484 nan 8.190 nan 0.000 0.447 193 M N -0.562 118.715 119.600 -0.539 0.000 2.080 193 M HA -0.260 4.225 4.480 0.009 0.000 0.260 193 M C 2.264 178.363 176.300 -0.335 0.000 1.068 193 M CA 2.167 56.988 55.300 -0.799 0.000 1.109 193 M CB -0.624 31.561 32.600 -0.692 0.000 1.342 193 M HN 0.405 nan 8.290 nan 0.000 0.405 194 E N 0.566 120.639 120.200 -0.211 0.000 2.097 194 E HA -0.221 4.134 4.350 0.009 0.000 0.196 194 E C 1.709 178.267 176.600 -0.070 0.000 1.000 194 E CA 1.424 57.757 56.400 -0.112 0.000 0.804 194 E CB 0.143 29.789 29.700 -0.089 0.000 0.740 194 E HN 0.444 nan 8.360 nan 0.000 0.454 195 R N -1.473 118.987 120.500 -0.066 0.000 2.362 195 R HA 0.159 4.505 4.340 0.009 0.000 0.227 195 R C 0.772 177.082 176.300 0.016 0.000 0.905 195 R CA 0.453 56.540 56.100 -0.022 0.000 1.067 195 R CB 0.935 31.224 30.300 -0.018 0.000 1.078 195 R HN 0.237 nan 8.270 nan 0.000 0.516 196 G N 1.919 110.740 108.800 0.035 0.000 2.272 196 G HA2 -0.270 3.695 3.960 0.009 0.000 0.280 196 G HA3 -0.270 3.695 3.960 0.009 0.000 0.280 196 G C -0.107 174.897 174.900 0.174 0.000 1.067 196 G CA 0.007 45.204 45.100 0.162 0.000 0.902 196 G HN 0.139 nan 8.290 nan 0.000 0.500 197 L N -0.785 120.533 121.223 0.158 0.000 2.399 197 L HA 0.627 4.972 4.340 0.009 0.000 0.265 197 L C 0.932 177.903 176.870 0.169 0.000 1.089 197 L CA -1.300 53.613 54.840 0.122 0.000 0.802 197 L CB 1.546 43.643 42.059 0.062 0.000 1.180 197 L HN -0.038 nan 8.230 nan 0.000 0.454 198 V N 2.397 122.365 119.914 0.091 0.000 2.509 198 V HA 0.293 4.419 4.120 0.009 0.000 0.284 198 V C 0.040 176.168 176.094 0.057 0.000 1.047 198 V CA -0.505 61.813 62.300 0.031 0.000 0.952 198 V CB 1.682 33.432 31.823 -0.122 0.000 0.988 198 V HN 0.392 nan 8.190 nan 0.000 0.469 199 V N 5.293 125.238 119.914 0.051 0.000 2.448 199 V HA 0.399 4.525 4.120 0.009 0.000 0.295 199 V C -0.211 175.883 176.094 -0.000 0.000 1.025 199 V CA -0.634 61.706 62.300 0.065 0.000 0.859 199 V CB 2.036 33.912 31.823 0.088 0.000 0.988 199 V HN 0.597 nan 8.190 nan 0.000 0.431 200 V N 4.382 124.294 119.914 -0.003 0.000 2.318 200 V HA 0.330 4.455 4.120 0.009 0.000 0.271 200 V C 0.254 176.333 176.094 -0.026 0.000 1.030 200 V CA -0.381 61.891 62.300 -0.047 0.000 0.844 200 V CB 1.172 32.932 31.823 -0.106 0.000 1.015 200 V HN 0.956 nan 8.190 nan 0.000 0.460 201 E N 4.086 124.262 120.200 -0.040 0.000 2.055 201 E HA 0.171 4.527 4.350 0.009 0.000 0.274 201 E C -0.856 175.602 176.600 -0.236 0.000 0.949 201 E CA -0.625 55.713 56.400 -0.104 0.000 0.775 201 E CB 0.838 30.567 29.700 0.047 0.000 1.097 201 E HN 0.639 nan 8.360 nan 0.000 0.404 202 D N 4.101 124.321 120.400 -0.300 0.000 2.339 202 D HA 0.065 4.710 4.640 0.009 0.000 0.241 202 D C -0.739 175.382 176.300 -0.298 0.000 1.183 202 D CA -0.152 53.679 54.000 -0.282 0.000 0.859 202 D CB 1.085 41.785 40.800 -0.168 0.000 1.067 202 D HN 0.391 nan 8.370 nan 0.000 0.484 203 D N 2.543 122.685 120.400 -0.430 0.000 2.755 203 D HA 0.258 4.904 4.640 0.009 0.000 0.257 203 D C 1.344 177.467 176.300 -0.295 0.000 1.291 203 D CA -0.261 53.541 54.000 -0.331 0.000 0.836 203 D CB 0.393 40.953 40.800 -0.400 0.000 1.059 203 D HN 0.421 nan 8.370 nan 0.000 0.486 204 A N -0.389 122.221 122.820 -0.351 0.000 1.986 204 A HA -0.217 4.108 4.320 0.009 0.000 0.220 204 A C 1.096 178.382 177.584 -0.496 0.000 1.171 204 A CA 1.348 53.080 52.037 -0.508 0.000 0.640 204 A CB -0.508 18.035 19.000 -0.762 0.000 0.811 204 A HN 0.417 nan 8.150 nan 0.000 0.451 205 Y N -1.410 118.874 120.300 -0.027 0.000 2.507 205 Y HA 0.224 4.780 4.550 0.009 0.000 0.254 205 Y C 1.795 177.815 175.900 0.199 0.000 1.171 205 Y CA -0.119 58.018 58.100 0.062 0.000 1.238 205 Y CB -0.166 38.353 38.460 0.099 0.000 1.148 205 Y HN 0.349 nan 8.280 nan 0.000 0.525 206 R N 1.200 121.835 120.500 0.225 0.000 2.190 206 R HA -0.256 4.089 4.340 0.009 0.000 0.255 206 R C 0.918 177.469 176.300 0.419 0.000 1.143 206 R CA 2.368 58.617 56.100 0.249 0.000 0.965 206 R CB 0.007 30.410 30.300 0.173 0.000 0.889 206 R HN 0.223 nan 8.270 nan 0.000 0.448 207 E N 0.109 120.541 120.200 0.387 0.000 2.479 207 E HA -0.005 4.350 4.350 0.009 0.000 0.193 207 E C 0.521 177.227 176.600 0.177 0.000 1.049 207 E CA 0.230 56.856 56.400 0.377 0.000 0.870 207 E CB 0.325 30.216 29.700 0.318 0.000 0.944 207 E HN 0.281 nan 8.360 nan 0.000 0.492 208 L N 1.752 123.094 121.223 0.198 0.000 2.928 208 L HA 0.103 4.449 4.340 0.009 0.000 0.236 208 L C -0.091 176.590 176.870 -0.315 0.000 1.290 208 L CA -0.335 54.477 54.840 -0.048 0.000 1.099 208 L CB -0.949 41.036 42.059 -0.123 0.000 1.437 208 L HN 0.022 nan 8.230 nan 0.000 0.493 209 Y N -3.933 116.338 120.300 -0.049 0.000 2.304 209 Y HA 0.354 4.910 4.550 0.010 0.000 0.327 209 Y C 0.696 176.602 175.900 0.011 0.000 1.209 209 Y CA -0.750 57.264 58.100 -0.144 0.000 1.299 209 Y CB 0.263 38.880 38.460 0.263 0.000 1.249 209 Y HN -0.027 nan 8.280 nan 0.000 0.519 210 F N 1.202 121.176 119.950 0.041 0.000 2.714 210 F HA 0.321 4.854 4.527 0.010 0.000 0.294 210 F C 1.553 177.425 175.800 0.119 0.000 1.120 210 F CA -0.423 57.581 58.000 0.008 0.000 1.398 210 F CB -0.673 38.295 39.000 -0.053 0.000 1.120 210 F HN 0.790 nan 8.300 nan 0.000 0.589 211 G N 0.504 109.544 108.800 0.401 0.000 2.516 211 G HA2 0.154 4.119 3.960 0.009 0.000 0.276 211 G HA3 0.154 4.119 3.960 0.009 0.000 0.276 211 G C 0.950 176.050 174.900 0.334 0.000 1.390 211 G CA 0.154 45.435 45.100 0.301 0.000 1.050 211 G HN 0.364 nan 8.290 nan 0.000 0.519 212 E N -1.446 118.886 120.200 0.220 0.000 2.299 212 E HA 0.393 4.749 4.350 0.009 0.000 0.193 212 E C 0.820 177.540 176.600 0.200 0.000 0.998 212 E CA 0.632 57.151 56.400 0.198 0.000 0.851 212 E CB 0.192 29.962 29.700 0.117 0.000 0.795 212 E HN 0.496 nan 8.360 nan 0.000 0.492 213 A N 1.266 124.131 122.820 0.075 0.000 2.539 213 A HA 0.584 4.909 4.320 0.009 0.000 0.296 213 A C -0.948 176.282 177.584 -0.590 0.000 1.073 213 A CA -1.179 50.757 52.037 -0.168 0.000 0.700 213 A CB 1.221 20.170 19.000 -0.085 0.000 1.296 213 A HN 0.280 nan 8.150 nan 0.000 0.405 214 R N 0.825 120.768 120.500 -0.928 0.000 2.532 214 R HA 0.779 5.124 4.340 0.009 0.000 0.272 214 R C -1.011 175.106 176.300 -0.304 0.000 1.032 214 R CA -0.650 55.011 56.100 -0.731 0.000 1.089 214 R CB 0.520 30.416 30.300 -0.674 0.000 1.098 214 R HN 0.502 nan 8.270 nan 0.000 0.526 215 L N 1.770 122.869 121.223 -0.206 0.000 2.399 215 L HA 0.412 4.757 4.340 0.009 0.000 0.266 215 L C -1.766 175.039 176.870 -0.109 0.000 1.114 215 L CA -2.478 52.280 54.840 -0.137 0.000 0.804 215 L CB 0.865 42.847 42.059 -0.127 0.000 1.146 215 L HN 0.543 nan 8.230 nan 0.000 0.451 216 P HA 0.026 nan 4.420 nan 0.000 0.265 216 P C -0.459 176.808 177.300 -0.055 0.000 1.193 216 P CA -0.298 62.762 63.100 -0.067 0.000 0.765 216 P CB 0.677 32.342 31.700 -0.058 0.000 0.823 217 S N 2.379 118.058 115.700 -0.034 0.000 2.593 217 S HA 0.075 4.550 4.470 0.009 0.000 0.269 217 S C 1.422 176.038 174.600 0.025 0.000 1.334 217 S CA -0.566 57.645 58.200 0.018 0.000 1.015 217 S CB 0.170 63.414 63.200 0.073 0.000 0.912 217 S HN 0.165 nan 8.310 nan 0.000 0.541 218 L N 0.730 121.987 121.223 0.057 0.000 2.079 218 L HA 0.006 4.351 4.340 0.009 0.000 0.210 218 L C 2.116 179.033 176.870 0.079 0.000 1.081 218 L CA 1.571 56.443 54.840 0.054 0.000 0.752 218 L CB -1.620 40.477 42.059 0.064 0.000 0.896 218 L HN 0.851 nan 8.230 nan 0.000 0.433 219 F N 0.832 120.779 119.950 -0.005 0.000 2.065 219 F HA -0.278 4.255 4.527 0.009 0.000 0.298 219 F C 2.469 178.204 175.800 -0.108 0.000 1.112 219 F CA 1.980 59.942 58.000 -0.063 0.000 1.212 219 F CB -0.184 38.698 39.000 -0.196 0.000 0.975 219 F HN 0.182 nan 8.300 nan 0.000 0.476 220 E N -0.259 119.926 120.200 -0.026 0.000 2.077 220 E HA -0.225 4.131 4.350 0.009 0.000 0.193 220 E C 2.119 178.643 176.600 -0.126 0.000 0.989 220 E CA 1.183 57.523 56.400 -0.099 0.000 0.800 220 E CB -0.302 29.361 29.700 -0.060 0.000 0.746 220 E HN 0.265 nan 8.360 nan 0.000 0.452 221 L N 0.559 121.730 121.223 -0.087 0.000 2.046 221 L HA -0.128 4.217 4.340 0.009 0.000 0.208 221 L C 2.284 179.102 176.870 -0.086 0.000 1.077 221 L CA 1.812 56.608 54.840 -0.074 0.000 0.747 221 L CB -1.166 40.862 42.059 -0.051 0.000 0.896 221 L HN 0.083 nan 8.230 nan 0.000 0.432 222 A N -1.157 121.599 122.820 -0.107 0.000 1.929 222 A HA -0.169 4.157 4.320 0.009 0.000 0.216 222 A C 2.502 179.993 177.584 -0.155 0.000 1.176 222 A CA 1.065 53.058 52.037 -0.072 0.000 0.628 222 A CB -0.448 18.547 19.000 -0.009 0.000 0.816 222 A HN 0.304 nan 8.150 nan 0.000 0.444 223 R N 0.149 120.461 120.500 -0.314 0.000 2.081 223 R HA -0.180 4.165 4.340 0.009 0.000 0.235 223 R C 2.122 178.332 176.300 -0.150 0.000 1.131 223 R CA 1.857 57.777 56.100 -0.301 0.000 0.960 223 R CB -0.306 29.746 30.300 -0.414 0.000 0.856 223 R HN 0.759 nan 8.270 nan 0.000 0.436 224 E N -0.259 119.870 120.200 -0.118 0.000 2.106 224 E HA -0.145 4.211 4.350 0.009 0.000 0.192 224 E C 1.514 178.082 176.600 -0.053 0.000 0.984 224 E CA 1.166 57.522 56.400 -0.073 0.000 0.806 224 E CB -0.066 29.597 29.700 -0.063 0.000 0.750 224 E HN 0.422 nan 8.360 nan 0.000 0.458 225 A N 0.261 123.052 122.820 -0.048 0.000 2.119 225 A HA 0.189 4.515 4.320 0.009 0.000 0.216 225 A C 1.775 179.359 177.584 -0.000 0.000 1.152 225 A CA 0.979 53.002 52.037 -0.023 0.000 0.708 225 A CB -0.472 18.515 19.000 -0.021 0.000 0.805 225 A HN 0.513 nan 8.150 nan 0.000 0.460 226 G N -2.261 106.530 108.800 -0.015 0.000 2.176 226 G HA2 -0.301 3.664 3.960 0.009 0.000 0.252 226 G HA3 -0.301 3.664 3.960 0.009 0.000 0.252 226 G C -0.111 174.816 174.900 0.046 0.000 1.024 226 G CA 0.384 45.481 45.100 -0.005 0.000 0.755 226 G HN 0.823 nan 8.290 nan 0.000 0.507 227 Y N 1.273 121.517 120.300 -0.093 0.000 2.341 227 Y HA 0.581 5.136 4.550 0.009 0.000 0.340 227 Y C -1.548 174.295 175.900 -0.096 0.000 0.997 227 Y CA -2.256 55.795 58.100 -0.082 0.000 1.149 227 Y CB 1.983 40.396 38.460 -0.078 0.000 1.171 227 Y HN 0.029 nan 8.280 nan 0.000 0.494 228 P HA 0.214 nan 4.420 nan 0.000 0.266 228 P C 0.776 177.789 177.300 -0.478 0.000 1.381 228 P CA 0.389 63.251 63.100 -0.395 0.000 0.940 228 P CB 0.459 32.004 31.700 -0.258 0.000 1.435 229 G N -0.137 108.146 108.800 -0.862 0.000 2.985 229 G HA2 0.131 4.096 3.960 0.009 0.000 0.209 229 G HA3 0.131 4.096 3.960 0.009 0.000 0.209 229 G C 0.149 175.012 174.900 -0.062 0.000 1.165 229 G CA 0.071 44.902 45.100 -0.449 0.000 0.776 229 G HN 0.157 nan 8.290 nan 0.000 0.541 230 V N 2.873 122.796 119.914 0.016 0.000 2.364 230 V HA 0.263 4.388 4.120 0.009 0.000 0.272 230 V C -0.337 175.921 176.094 0.274 0.000 1.036 230 V CA -0.975 61.426 62.300 0.169 0.000 0.880 230 V CB 1.397 33.366 31.823 0.243 0.000 0.991 230 V HN 0.049 nan 8.190 nan 0.000 0.460 231 I N 5.744 126.405 120.570 0.153 0.000 2.322 231 I HA 0.235 4.411 4.170 0.009 0.000 0.292 231 I C -0.288 175.906 176.117 0.128 0.000 1.060 231 I CA -0.648 60.731 61.300 0.132 0.000 1.309 231 I CB 0.056 38.056 38.000 -0.001 0.000 1.415 231 I HN 0.602 nan 8.210 nan 0.000 0.492 232 Y N 7.562 127.832 120.300 -0.050 0.000 2.326 232 Y HA 0.547 5.103 4.550 0.009 0.000 0.337 232 Y C -0.717 175.066 175.900 -0.196 0.000 1.023 232 Y CA -0.549 57.434 58.100 -0.194 0.000 1.143 232 Y CB 1.008 39.111 38.460 -0.595 0.000 1.183 232 Y HN 0.387 nan 8.280 nan 0.000 0.485 233 L N 7.053 127.854 121.223 -0.704 0.000 2.325 233 L HA 0.706 5.051 4.340 0.009 0.000 0.281 233 L C 0.338 176.571 176.870 -1.061 0.000 1.004 233 L CA -0.795 53.641 54.840 -0.673 0.000 0.823 233 L CB 1.483 43.322 42.059 -0.367 0.000 1.236 233 L HN 0.836 nan 8.230 nan 0.000 0.415 234 G N 0.918 108.913 108.800 -1.343 0.000 2.568 234 G HA2 0.656 4.622 3.960 0.009 0.000 0.313 234 G HA3 0.656 4.622 3.960 0.009 0.000 0.313 234 G C -1.414 172.663 174.900 -1.371 0.000 1.227 234 G CA -0.399 43.846 45.100 -1.427 0.000 0.979 234 G HN 0.446 nan 8.290 nan 0.000 0.486 235 S N -1.495 113.728 115.700 -0.795 0.000 2.588 235 S HA 0.588 5.063 4.470 0.009 0.000 0.275 235 S C -0.734 173.675 174.600 -0.318 0.000 1.130 235 S CA -0.585 57.315 58.200 -0.500 0.000 0.855 235 S CB 1.111 64.121 63.200 -0.318 0.000 1.116 235 S HN 0.349 nan 8.310 nan 0.000 0.472 236 F N 1.595 121.631 119.950 0.143 0.000 2.727 236 F HA 0.303 4.835 4.527 0.008 0.000 0.302 236 F C 2.236 178.107 175.800 0.119 0.000 1.097 236 F CA -0.049 58.067 58.000 0.192 0.000 1.330 236 F CB 0.067 39.172 39.000 0.176 0.000 1.084 236 F HN 0.463 nan 8.300 nan 0.000 0.578 237 S N 0.023 115.821 115.700 0.163 0.000 2.368 237 S HA -0.116 4.360 4.470 0.009 0.000 0.224 237 S C 2.010 176.689 174.600 0.132 0.000 1.029 237 S CA 1.218 59.486 58.200 0.114 0.000 0.988 237 S CB -0.017 63.199 63.200 0.026 0.000 0.838 237 S HN 0.139 nan 8.310 nan 0.000 0.462 238 K N 1.156 121.600 120.400 0.072 0.000 2.393 238 K HA 0.188 4.513 4.320 0.009 0.000 0.193 238 K C 1.482 178.200 176.600 0.197 0.000 1.026 238 K CA 0.390 56.724 56.287 0.078 0.000 1.064 238 K CB -0.016 32.410 32.500 -0.123 0.000 0.833 238 K HN 0.500 nan 8.250 nan 0.000 0.521 239 V N -3.197 116.878 119.914 0.267 0.000 3.604 239 V HA 0.275 4.400 4.120 0.009 0.000 0.277 239 V C 1.318 177.626 176.094 0.357 0.000 1.399 239 V CA -0.057 62.447 62.300 0.339 0.000 1.034 239 V CB 0.190 32.268 31.823 0.425 0.000 0.824 239 V HN 0.062 nan 8.190 nan 0.000 0.439 240 L N -0.375 121.045 121.223 0.328 0.000 2.681 240 L HA 0.563 4.908 4.340 0.009 0.000 0.163 240 L C 0.011 177.016 176.870 0.225 0.000 1.188 240 L CA 1.308 56.301 54.840 0.255 0.000 0.944 240 L CB 1.075 43.242 42.059 0.180 0.000 1.835 240 L HN 0.449 nan 8.230 nan 0.000 0.510 241 S N 0.653 116.450 115.700 0.162 0.000 2.550 241 S HA 0.391 4.866 4.470 0.009 0.000 0.274 241 S C -2.442 172.180 174.600 0.036 0.000 1.110 241 S CA -0.618 57.579 58.200 -0.006 0.000 1.013 241 S CB 1.468 64.563 63.200 -0.176 0.000 1.152 241 S HN 0.139 nan 8.310 nan 0.000 0.450 242 P HA 0.148 nan 4.420 nan 0.000 0.220 242 P C 1.499 178.811 177.300 0.021 0.000 1.152 242 P CA 1.104 64.246 63.100 0.070 0.000 0.812 242 P CB -0.210 31.562 31.700 0.120 0.000 0.792 243 G N 0.211 108.986 108.800 -0.042 0.000 2.534 243 G HA2 -0.122 3.843 3.960 0.009 0.000 0.217 243 G HA3 -0.122 3.843 3.960 0.009 0.000 0.217 243 G C 1.571 176.442 174.900 -0.048 0.000 1.128 243 G CA 0.085 45.156 45.100 -0.049 0.000 0.784 243 G HN 0.211 nan 8.290 nan 0.000 0.542 244 L N -0.519 120.672 121.223 -0.054 0.000 2.201 244 L HA 0.043 4.388 4.340 0.009 0.000 0.212 244 L C 0.907 177.780 176.870 0.005 0.000 1.105 244 L CA 0.148 54.966 54.840 -0.036 0.000 0.775 244 L CB -0.132 41.899 42.059 -0.046 0.000 0.913 244 L HN 0.172 nan 8.230 nan 0.000 0.440 245 R N -0.370 120.149 120.500 0.032 0.000 3.209 245 R HA -0.120 4.226 4.340 0.009 0.000 0.252 245 R C -1.149 175.204 176.300 0.089 0.000 0.958 245 R CA 0.201 56.332 56.100 0.051 0.000 0.651 245 R CB -2.833 27.484 30.300 0.029 0.000 1.142 245 R HN 0.130 nan 8.270 nan 0.000 0.441 246 V N -0.615 119.389 119.914 0.150 0.000 2.531 246 V HA 0.928 5.053 4.120 0.009 0.000 0.301 246 V C 0.433 176.750 176.094 0.371 0.000 1.034 246 V CA -0.133 62.318 62.300 0.252 0.000 0.865 246 V CB 2.032 34.001 31.823 0.243 0.000 0.995 246 V HN 0.660 nan 8.190 nan 0.000 0.424 247 A N 4.275 127.278 122.820 0.305 0.000 2.524 247 A HA 1.072 5.398 4.320 0.009 0.000 0.303 247 A C -1.585 176.131 177.584 0.220 0.000 1.195 247 A CA -0.553 51.555 52.037 0.118 0.000 0.651 247 A CB 1.960 20.900 19.000 -0.101 0.000 1.323 247 A HN 1.488 nan 8.150 nan 0.000 0.479 248 F N -3.095 116.857 119.950 0.003 0.000 2.654 248 F HA 0.864 5.396 4.527 0.009 0.000 0.308 248 F C -0.364 175.415 175.800 -0.034 0.000 1.108 248 F CA -0.740 57.277 58.000 0.028 0.000 0.957 248 F CB 1.318 40.364 39.000 0.076 0.000 1.309 248 F HN 1.097 nan 8.300 nan 0.000 0.446 249 A N 1.513 124.449 122.820 0.193 0.000 2.350 249 A HA 0.876 5.201 4.320 0.009 0.000 0.324 249 A C -1.638 176.057 177.584 0.184 0.000 1.118 249 A CA -0.945 51.156 52.037 0.107 0.000 0.783 249 A CB 1.676 20.715 19.000 0.064 0.000 1.236 249 A HN 0.878 nan 8.150 nan 0.000 0.457 250 V N 0.847 120.836 119.914 0.125 0.000 2.588 250 V HA 0.856 4.981 4.120 0.009 0.000 0.304 250 V C 0.169 176.309 176.094 0.076 0.000 1.042 250 V CA 0.231 62.562 62.300 0.051 0.000 0.877 250 V CB 1.276 33.023 31.823 -0.126 0.000 0.996 250 V HN 1.642 nan 8.190 nan 0.000 0.425 251 A N 2.365 125.281 122.820 0.160 0.000 2.601 251 A HA 0.606 4.932 4.320 0.009 0.000 0.291 251 A C -0.716 177.005 177.584 0.229 0.000 1.075 251 A CA -0.656 51.529 52.037 0.247 0.000 0.671 251 A CB 1.103 20.219 19.000 0.194 0.000 1.277 251 A HN 0.941 nan 8.150 nan 0.000 0.417 252 H N 0.941 120.091 119.070 0.133 0.000 3.115 252 H HA -0.004 4.557 4.556 0.009 0.000 0.324 252 H C -1.583 173.781 175.328 0.059 0.000 1.007 252 H CA 0.287 56.374 56.048 0.065 0.000 1.385 252 H CB 0.898 30.670 29.762 0.017 0.000 1.351 252 H HN 0.231 nan 8.280 nan 0.000 0.592 253 P HA -0.180 nan 4.420 nan 0.000 0.217 253 P C 1.131 178.442 177.300 0.019 0.000 1.151 253 P CA 1.688 64.694 63.100 -0.156 0.000 0.849 253 P CB 0.195 31.738 31.700 -0.262 0.000 0.787 254 E N -0.831 119.497 120.200 0.213 0.000 2.047 254 E HA -0.139 4.216 4.350 0.009 0.000 0.191 254 E C 2.093 178.778 176.600 0.143 0.000 0.987 254 E CA 1.244 57.769 56.400 0.208 0.000 0.799 254 E CB -0.478 29.374 29.700 0.253 0.000 0.752 254 E HN 0.170 nan 8.360 nan 0.000 0.449 255 A N 1.514 124.457 122.820 0.205 0.000 1.897 255 A HA -0.111 4.214 4.320 0.009 0.000 0.215 255 A C 2.141 179.796 177.584 0.118 0.000 1.181 255 A CA 0.635 52.771 52.037 0.166 0.000 0.620 255 A CB -0.453 18.705 19.000 0.264 0.000 0.821 255 A HN 0.203 nan 8.150 nan 0.000 0.443 256 L N -0.506 120.788 121.223 0.118 0.000 2.046 256 L HA -0.167 4.178 4.340 0.009 0.000 0.208 256 L C 2.389 179.293 176.870 0.056 0.000 1.077 256 L CA 1.883 56.776 54.840 0.087 0.000 0.747 256 L CB -0.823 41.282 42.059 0.076 0.000 0.896 256 L HN 0.407 nan 8.230 nan 0.000 0.432 257 Q N -0.147 119.678 119.800 0.041 0.000 2.119 257 Q HA -0.158 4.187 4.340 0.009 0.000 0.201 257 Q C 2.077 178.082 176.000 0.009 0.000 0.972 257 Q CA 0.971 56.787 55.803 0.022 0.000 0.847 257 Q CB -0.255 28.491 28.738 0.015 0.000 0.903 257 Q HN 0.380 nan 8.270 nan 0.000 0.433 258 K N 0.814 121.210 120.400 -0.006 0.000 2.057 258 K HA -0.046 4.279 4.320 0.009 0.000 0.207 258 K C 2.283 178.870 176.600 -0.023 0.000 1.049 258 K CA 0.763 57.024 56.287 -0.044 0.000 0.931 258 K CB -0.499 31.927 32.500 -0.123 0.000 0.714 258 K HN 0.250 nan 8.250 nan 0.000 0.440 259 L N 0.588 121.817 121.223 0.010 0.000 2.046 259 L HA -0.168 4.177 4.340 0.009 0.000 0.208 259 L C 2.422 179.315 176.870 0.039 0.000 1.077 259 L CA 0.805 55.666 54.840 0.036 0.000 0.747 259 L CB -0.702 41.398 42.059 0.068 0.000 0.896 259 L HN -0.125 nan 8.230 nan 0.000 0.432 260 V N -0.403 119.535 119.914 0.039 0.000 2.343 260 V HA -0.276 3.850 4.120 0.009 0.000 0.247 260 V C 2.516 178.628 176.094 0.031 0.000 1.051 260 V CA 1.666 63.991 62.300 0.042 0.000 1.036 260 V CB -0.616 31.231 31.823 0.039 0.000 0.654 260 V HN 0.511 nan 8.190 nan 0.000 0.451 261 Q N -0.146 119.664 119.800 0.016 0.000 2.167 261 Q HA -0.111 4.234 4.340 0.009 0.000 0.202 261 Q C 2.449 178.454 176.000 0.009 0.000 0.970 261 Q CA 1.609 57.417 55.803 0.008 0.000 0.855 261 Q CB -0.352 28.384 28.738 -0.004 0.000 0.911 261 Q HN 0.673 nan 8.270 nan 0.000 0.438 262 A N 1.820 124.644 122.820 0.008 0.000 1.898 262 A HA -0.195 4.130 4.320 0.009 0.000 0.216 262 A C 2.075 179.674 177.584 0.025 0.000 1.181 262 A CA 1.482 53.526 52.037 0.013 0.000 0.620 262 A CB -0.399 18.609 19.000 0.012 0.000 0.819 262 A HN 0.192 nan 8.150 nan 0.000 0.442 263 K N -0.303 120.118 120.400 0.035 0.000 2.103 263 K HA -0.238 4.087 4.320 0.009 0.000 0.207 263 K C 2.188 178.815 176.600 0.044 0.000 1.048 263 K CA 1.648 57.962 56.287 0.045 0.000 0.930 263 K CB -0.220 32.316 32.500 0.060 0.000 0.716 263 K HN 0.671 nan 8.250 nan 0.000 0.444 264 Q N -0.717 119.107 119.800 0.040 0.000 2.047 264 Q HA -0.193 4.153 4.340 0.009 0.000 0.211 264 Q C 2.058 178.075 176.000 0.028 0.000 1.005 264 Q CA 1.871 57.696 55.803 0.037 0.000 0.866 264 Q CB -0.429 28.323 28.738 0.023 0.000 0.938 264 Q HN 0.501 nan 8.270 nan 0.000 0.414 265 G N -0.669 108.143 108.800 0.021 0.000 2.813 265 G HA2 0.135 4.100 3.960 0.009 0.000 0.209 265 G HA3 0.135 4.100 3.960 0.009 0.000 0.209 265 G C 1.156 176.067 174.900 0.018 0.000 1.150 265 G CA 0.570 45.680 45.100 0.017 0.000 0.785 265 G HN 0.375 nan 8.290 nan 0.000 0.535 266 A N 1.363 124.196 122.820 0.022 0.000 1.850 266 A HA 0.214 4.540 4.320 0.009 0.000 0.212 266 A C 1.698 179.290 177.584 0.014 0.000 1.208 266 A CA 1.828 53.876 52.037 0.019 0.000 0.609 266 A CB 0.134 19.149 19.000 0.025 0.000 0.860 266 A HN 0.361 nan 8.150 nan 0.000 0.448 267 D N -2.366 118.043 120.400 0.015 0.000 2.563 267 D HA 0.276 4.922 4.640 0.009 0.000 0.256 267 D C 0.719 177.012 176.300 -0.011 0.000 1.400 267 D CA 0.295 54.291 54.000 -0.006 0.000 0.800 267 D CB -0.624 40.161 40.800 -0.024 0.000 1.145 267 D HN 0.322 nan 8.370 nan 0.000 0.501 268 L N -0.398 120.847 121.223 0.036 0.000 3.412 268 L HA -0.322 4.023 4.340 0.009 0.000 0.253 268 L C 0.401 177.381 176.870 0.183 0.000 4.367 268 L CA 2.273 57.172 54.840 0.099 0.000 0.793 268 L CB -1.863 40.283 42.059 0.146 0.000 3.488 268 L HN 0.666 nan 8.230 nan 0.000 0.786 269 H N -2.070 117.053 119.070 0.089 0.000 3.042 269 H HA 0.398 4.960 4.556 0.009 0.000 0.346 269 H C -0.929 174.442 175.328 0.071 0.000 1.294 269 H CA -0.193 55.904 56.048 0.082 0.000 1.141 269 H CB 1.208 31.028 29.762 0.095 0.000 1.872 269 H HN -0.030 nan 8.280 nan 0.000 0.541 270 T N 3.747 118.396 114.554 0.158 0.000 2.916 270 T HA 0.143 4.498 4.350 0.009 0.000 0.303 270 T C -2.347 172.447 174.700 0.155 0.000 1.025 270 T CA -0.540 61.622 62.100 0.104 0.000 1.142 270 T CB 0.294 69.245 68.868 0.137 0.000 0.947 270 T HN 0.351 nan 8.240 nan 0.000 0.544 271 P HA 0.018 nan 4.420 nan 0.000 0.260 271 P C 0.598 177.943 177.300 0.076 0.000 1.172 271 P CA -0.023 63.104 63.100 0.045 0.000 0.760 271 P CB 0.383 32.076 31.700 -0.013 0.000 0.773 272 M N 5.121 124.774 119.600 0.088 0.000 2.156 272 M HA -0.068 4.417 4.480 0.009 0.000 0.264 272 M C 1.628 177.836 176.300 -0.154 0.000 1.067 272 M CA 1.561 56.841 55.300 -0.034 0.000 1.131 272 M CB -1.145 31.421 32.600 -0.057 0.000 1.368 272 M HN 0.305 nan 8.290 nan 0.000 0.416 273 L N 0.027 121.180 121.223 -0.116 0.000 2.013 273 L HA -0.331 4.014 4.340 0.009 0.000 0.212 273 L C 1.938 178.727 176.870 -0.134 0.000 1.073 273 L CA 1.914 56.673 54.840 -0.135 0.000 0.753 273 L CB -0.708 41.296 42.059 -0.093 0.000 0.890 273 L HN 0.484 nan 8.230 nan 0.000 0.432 274 N N -0.599 118.047 118.700 -0.090 0.000 2.069 274 N HA -0.254 4.492 4.740 0.009 0.000 0.191 274 N C 1.686 177.145 175.510 -0.086 0.000 1.031 274 N CA 1.569 54.574 53.050 -0.075 0.000 0.852 274 N CB -0.205 38.261 38.487 -0.034 0.000 1.018 274 N HN 0.569 nan 8.380 nan 0.000 0.423 275 Q N 0.603 120.361 119.800 -0.071 0.000 2.084 275 Q HA -0.036 4.310 4.340 0.009 0.000 0.202 275 Q C 2.109 178.050 176.000 -0.099 0.000 0.978 275 Q CA 1.239 57.019 55.803 -0.039 0.000 0.844 275 Q CB -0.105 28.658 28.738 0.043 0.000 0.898 275 Q HN 0.420 nan 8.270 nan 0.000 0.426 276 M N -0.058 119.353 119.600 -0.316 0.000 2.175 276 M HA -0.143 4.342 4.480 0.009 0.000 0.264 276 M C 2.090 178.305 176.300 -0.142 0.000 1.063 276 M CA 0.884 55.960 55.300 -0.373 0.000 1.119 276 M CB -0.188 32.080 32.600 -0.553 0.000 1.377 276 M HN 0.185 nan 8.290 nan 0.000 0.415 277 L N 0.053 121.181 121.223 -0.159 0.000 2.046 277 L HA -0.108 4.237 4.340 0.009 0.000 0.208 277 L C 2.191 178.947 176.870 -0.190 0.000 1.077 277 L CA 1.566 56.317 54.840 -0.148 0.000 0.747 277 L CB -0.531 41.449 42.059 -0.132 0.000 0.896 277 L HN 0.020 nan 8.230 nan 0.000 0.432 278 V N -0.452 119.328 119.914 -0.224 0.000 2.295 278 V HA -0.352 3.774 4.120 0.009 0.000 0.246 278 V C 2.598 178.417 176.094 -0.457 0.000 1.049 278 V CA 2.106 64.174 62.300 -0.387 0.000 1.024 278 V CB -0.954 30.552 31.823 -0.528 0.000 0.648 278 V HN 0.659 nan 8.190 nan 0.000 0.447 279 H N -0.089 118.736 119.070 -0.407 0.000 2.352 279 H HA -0.171 4.390 4.556 0.009 0.000 0.299 279 H C 2.397 177.501 175.328 -0.374 0.000 1.097 279 H CA 1.766 57.553 56.048 -0.434 0.000 1.311 279 H CB 0.274 29.962 29.762 -0.123 0.000 1.377 279 H HN 0.402 nan 8.280 nan 0.000 0.504 280 E N 0.752 120.773 120.200 -0.299 0.000 2.110 280 E HA -0.131 4.225 4.350 0.009 0.000 0.193 280 E C 2.632 179.050 176.600 -0.303 0.000 0.988 280 E CA 0.569 56.797 56.400 -0.287 0.000 0.804 280 E CB -0.212 29.396 29.700 -0.153 0.000 0.745 280 E HN 0.534 nan 8.360 nan 0.000 0.458 281 L N -0.193 120.849 121.223 -0.302 0.000 2.217 281 L HA -0.138 4.207 4.340 0.009 0.000 0.211 281 L C 1.990 178.670 176.870 -0.318 0.000 1.107 281 L CA 0.485 55.171 54.840 -0.256 0.000 0.783 281 L CB -0.067 41.863 42.059 -0.215 0.000 0.919 281 L HN 0.081 nan 8.230 nan 0.000 0.442 282 L N -0.841 120.057 121.223 -0.540 0.000 2.515 282 L HA 0.009 4.354 4.340 0.009 0.000 0.223 282 L C 2.337 178.860 176.870 -0.578 0.000 1.079 282 L CA 0.777 55.209 54.840 -0.681 0.000 0.857 282 L CB -0.331 40.994 42.059 -1.224 0.000 1.050 282 L HN 0.168 nan 8.230 nan 0.000 0.476 283 K N -0.222 119.787 120.400 -0.651 0.000 2.152 283 K HA -0.084 4.242 4.320 0.009 0.000 0.206 283 K C -0.045 176.515 176.600 -0.067 0.000 1.048 283 K CA 1.021 57.059 56.287 -0.416 0.000 0.933 283 K CB -0.149 31.989 32.500 -0.602 0.000 0.721 283 K HN 0.189 nan 8.250 nan 0.000 0.447 284 E N 0.024 120.171 120.200 -0.087 0.000 2.212 284 E HA 0.257 4.612 4.350 0.009 0.000 0.268 284 E C 0.071 176.694 176.600 0.039 0.000 0.902 284 E CA -0.255 56.147 56.400 0.003 0.000 0.779 284 E CB 1.765 31.452 29.700 -0.021 0.000 1.172 284 E HN 0.380 nan 8.360 nan 0.000 0.409 285 G N 2.200 111.051 108.800 0.085 0.000 2.160 285 G HA2 -0.330 3.636 3.960 0.009 0.000 0.251 285 G HA3 -0.330 3.636 3.960 0.009 0.000 0.251 285 G C 0.449 175.453 174.900 0.175 0.000 1.008 285 G CA 0.430 45.588 45.100 0.097 0.000 0.724 285 G HN 0.516 nan 8.290 nan 0.000 0.514 286 F N 1.764 121.725 119.950 0.018 0.000 2.075 286 F HA -0.018 4.514 4.527 0.008 0.000 0.297 286 F C 2.469 178.274 175.800 0.009 0.000 1.113 286 F CA 2.001 60.010 58.000 0.014 0.000 1.218 286 F CB -0.795 38.238 39.000 0.056 0.000 0.984 286 F HN 0.210 nan 8.300 nan 0.000 0.472 287 S N 0.243 115.934 115.700 -0.015 0.000 2.374 287 S HA -0.235 4.241 4.470 0.009 0.000 0.227 287 S C 1.740 176.309 174.600 -0.050 0.000 1.037 287 S CA 1.741 59.874 58.200 -0.112 0.000 1.024 287 S CB -0.334 62.850 63.200 -0.026 0.000 0.861 287 S HN 0.396 nan 8.310 nan 0.000 0.456 288 E N 0.789 120.997 120.200 0.013 0.000 2.150 288 E HA -0.052 4.303 4.350 0.009 0.000 0.193 288 E C 2.071 178.691 176.600 0.032 0.000 0.985 288 E CA 0.653 57.067 56.400 0.024 0.000 0.814 288 E CB -0.158 29.563 29.700 0.035 0.000 0.752 288 E HN 0.367 nan 8.360 nan 0.000 0.466 289 R N 0.108 120.647 120.500 0.066 0.000 2.073 289 R HA -0.123 4.222 4.340 0.009 0.000 0.234 289 R C 1.712 178.050 176.300 0.064 0.000 1.134 289 R CA 0.988 57.147 56.100 0.098 0.000 0.952 289 R CB -0.204 30.217 30.300 0.201 0.000 0.850 289 R HN 0.132 nan 8.270 nan 0.000 0.433 290 L N 1.085 122.299 121.223 -0.016 0.000 2.131 290 L HA -0.115 4.230 4.340 0.009 0.000 0.210 290 L C 2.106 178.956 176.870 -0.033 0.000 1.092 290 L CA 1.697 56.503 54.840 -0.055 0.000 0.759 290 L CB -0.723 41.201 42.059 -0.224 0.000 0.903 290 L HN 0.195 nan 8.230 nan 0.000 0.435 291 E N -0.618 119.565 120.200 -0.029 0.000 2.158 291 E HA -0.168 4.188 4.350 0.009 0.000 0.191 291 E C 2.399 178.995 176.600 -0.008 0.000 0.982 291 E CA 0.701 57.086 56.400 -0.024 0.000 0.823 291 E CB -0.010 29.686 29.700 -0.008 0.000 0.766 291 E HN 0.308 nan 8.360 nan 0.000 0.468 292 R N 0.006 120.511 120.500 0.008 0.000 2.090 292 R HA -0.097 4.248 4.340 0.009 0.000 0.228 292 R C 2.271 178.582 176.300 0.018 0.000 1.110 292 R CA 1.468 57.572 56.100 0.007 0.000 0.973 292 R CB -0.381 29.926 30.300 0.012 0.000 0.869 292 R HN 0.244 nan 8.270 nan 0.000 0.440 293 V N -0.314 119.641 119.914 0.067 0.000 2.295 293 V HA -0.214 3.911 4.120 0.009 0.000 0.246 293 V C 2.314 178.535 176.094 0.211 0.000 1.049 293 V CA 2.038 64.428 62.300 0.150 0.000 1.024 293 V CB -0.771 31.211 31.823 0.266 0.000 0.648 293 V HN 0.281 nan 8.190 nan 0.000 0.447 294 R N 0.536 121.114 120.500 0.130 0.000 2.115 294 R HA -0.233 4.113 4.340 0.009 0.000 0.239 294 R C 2.706 179.056 176.300 0.084 0.000 1.133 294 R CA 2.776 58.935 56.100 0.099 0.000 0.935 294 R CB -0.708 29.546 30.300 -0.077 0.000 0.853 294 R HN 0.712 nan 8.270 nan 0.000 0.433 295 R N -0.279 120.223 120.500 0.003 0.000 2.073 295 R HA -0.127 4.219 4.340 0.009 0.000 0.234 295 R C 1.994 178.237 176.300 -0.095 0.000 1.134 295 R CA 1.907 57.976 56.100 -0.053 0.000 0.952 295 R CB -0.419 29.853 30.300 -0.046 0.000 0.850 295 R HN 0.163 nan 8.270 nan 0.000 0.433 296 V N 0.474 120.327 119.914 -0.102 0.000 2.282 296 V HA -0.285 3.841 4.120 0.009 0.000 0.249 296 V C 1.977 177.927 176.094 -0.239 0.000 1.057 296 V CA 2.006 64.181 62.300 -0.208 0.000 1.032 296 V CB -0.635 31.005 31.823 -0.305 0.000 0.645 296 V HN 0.401 nan 8.190 nan 0.000 0.447 297 Y N -0.431 119.868 120.300 -0.002 0.000 2.337 297 Y HA -0.095 4.461 4.550 0.009 0.000 0.293 297 Y C 2.665 178.384 175.900 -0.302 0.000 1.123 297 Y CA 1.484 59.632 58.100 0.081 0.000 1.201 297 Y CB -0.235 38.424 38.460 0.331 0.000 1.011 297 Y HN 0.069 nan 8.280 nan 0.000 0.545 298 R N 0.929 121.131 120.500 -0.497 0.000 2.080 298 R HA -0.205 4.140 4.340 0.009 0.000 0.236 298 R C 1.847 177.745 176.300 -0.669 0.000 1.137 298 R CA 2.155 57.580 56.100 -1.125 0.000 0.943 298 R CB -0.154 29.785 30.300 -0.601 0.000 0.846 298 R HN 0.414 nan 8.270 nan 0.000 0.431 299 E N 0.074 120.052 120.200 -0.370 0.000 2.110 299 E HA -0.195 4.160 4.350 0.009 0.000 0.193 299 E C 2.056 178.504 176.600 -0.253 0.000 0.988 299 E CA 1.246 57.490 56.400 -0.261 0.000 0.804 299 E CB 0.030 29.630 29.700 -0.168 0.000 0.745 299 E HN 0.342 nan 8.360 nan 0.000 0.458 300 K N 0.589 120.859 120.400 -0.216 0.000 2.057 300 K HA -0.096 4.229 4.320 0.009 0.000 0.206 300 K C 2.186 178.559 176.600 -0.378 0.000 1.050 300 K CA 1.079 57.286 56.287 -0.132 0.000 0.935 300 K CB -0.093 32.466 32.500 0.099 0.000 0.715 300 K HN 0.048 nan 8.250 nan 0.000 0.439 301 A N 1.105 123.504 122.820 -0.702 0.000 1.873 301 A HA -0.173 4.153 4.320 0.009 0.000 0.215 301 A C 2.091 179.275 177.584 -0.667 0.000 1.186 301 A CA 1.168 52.521 52.037 -1.140 0.000 0.616 301 A CB -0.341 18.142 19.000 -0.863 0.000 0.823 301 A HN 0.150 nan 8.150 nan 0.000 0.442 302 Q N -0.285 119.178 119.800 -0.561 0.000 2.084 302 Q HA -0.117 4.228 4.340 0.009 0.000 0.202 302 Q C 2.380 178.026 176.000 -0.591 0.000 0.978 302 Q CA 1.726 57.190 55.803 -0.565 0.000 0.844 302 Q CB -0.901 27.568 28.738 -0.448 0.000 0.898 302 Q HN 0.648 nan 8.270 nan 0.000 0.426 303 A N 0.411 123.027 122.820 -0.341 0.000 1.933 303 A HA -0.192 4.133 4.320 0.009 0.000 0.218 303 A C 2.142 179.629 177.584 -0.162 0.000 1.175 303 A CA 1.780 53.718 52.037 -0.165 0.000 0.628 303 A CB -0.474 18.475 19.000 -0.085 0.000 0.814 303 A HN 0.405 nan 8.150 nan 0.000 0.444 304 M N -0.428 119.025 119.600 -0.244 0.000 2.132 304 M HA -0.009 4.476 4.480 0.009 0.000 0.263 304 M C 1.784 177.943 176.300 -0.235 0.000 1.065 304 M CA 1.601 56.772 55.300 -0.216 0.000 1.122 304 M CB -0.356 32.093 32.600 -0.252 0.000 1.365 304 M HN 0.342 nan 8.290 nan 0.000 0.411 305 L N -1.005 120.050 121.223 -0.280 0.000 2.056 305 L HA -0.208 4.137 4.340 0.009 0.000 0.207 305 L C 2.332 179.160 176.870 -0.069 0.000 1.078 305 L CA 1.565 56.296 54.840 -0.182 0.000 0.749 305 L CB -1.134 40.815 42.059 -0.183 0.000 0.901 305 L HN 0.466 nan 8.230 nan 0.000 0.433 306 H N -0.639 118.396 119.070 -0.059 0.000 2.357 306 H HA -0.106 4.452 4.556 0.004 0.000 0.301 306 H C 2.361 177.667 175.328 -0.037 0.000 1.082 306 H CA 0.824 56.851 56.048 -0.035 0.000 1.342 306 H CB 0.030 29.768 29.762 -0.041 0.000 1.389 306 H HN 0.379 nan 8.280 nan 0.000 0.511 307 A N 1.040 123.896 122.820 0.060 0.000 1.902 307 A HA -0.141 4.184 4.320 0.009 0.000 0.217 307 A C 2.303 179.857 177.584 -0.049 0.000 1.181 307 A CA 1.258 53.299 52.037 0.006 0.000 0.623 307 A CB -0.698 18.298 19.000 -0.006 0.000 0.818 307 A HN 0.299 nan 8.150 nan 0.000 0.443 308 L N -0.689 120.449 121.223 -0.141 0.000 2.217 308 L HA -0.126 4.219 4.340 0.009 0.000 0.211 308 L C 1.744 178.585 176.870 -0.049 0.000 1.107 308 L CA 0.994 55.662 54.840 -0.287 0.000 0.783 308 L CB -0.495 41.089 42.059 -0.791 0.000 0.919 308 L HN 0.283 nan 8.230 nan 0.000 0.442 309 D N 0.463 120.916 120.400 0.087 0.000 2.219 309 D HA -0.129 4.517 4.640 0.009 0.000 0.205 309 D C 1.961 178.325 176.300 0.108 0.000 0.970 309 D CA 1.010 55.119 54.000 0.183 0.000 0.851 309 D CB 0.109 41.013 40.800 0.172 0.000 0.943 309 D HN 0.487 nan 8.370 nan 0.000 0.488 310 R N -0.288 120.250 120.500 0.063 0.000 2.437 310 R HA 0.227 4.573 4.340 0.009 0.000 0.257 310 R C 0.886 177.203 176.300 0.028 0.000 0.927 310 R CA 0.057 56.181 56.100 0.041 0.000 1.078 310 R CB 0.415 30.732 30.300 0.028 0.000 1.161 310 R HN -0.103 nan 8.270 nan 0.000 0.529 311 E N 0.891 121.103 120.200 0.020 0.000 2.399 311 E HA 0.155 4.510 4.350 0.009 0.000 0.205 311 E C 0.022 176.631 176.600 0.015 0.000 0.906 311 E CA 0.166 56.572 56.400 0.011 0.000 0.998 311 E CB 0.961 30.660 29.700 -0.001 0.000 1.002 311 E HN -0.007 nan 8.360 nan 0.000 0.501 312 V N 4.695 124.625 119.914 0.027 0.000 2.406 312 V HA 0.190 4.315 4.120 0.009 0.000 0.272 312 V C -2.209 173.935 176.094 0.082 0.000 1.043 312 V CA -1.636 60.696 62.300 0.053 0.000 0.915 312 V CB 1.032 32.900 31.823 0.076 0.000 0.988 312 V HN -0.018 nan 8.190 nan 0.000 0.466 313 P HA 0.114 nan 4.420 nan 0.000 0.266 313 P C 0.460 177.788 177.300 0.046 0.000 1.195 313 P CA -0.297 62.827 63.100 0.041 0.000 0.768 313 P CB 0.632 32.347 31.700 0.025 0.000 0.838 314 K N 1.945 122.362 120.400 0.029 0.000 2.360 314 K HA -0.167 4.158 4.320 0.009 0.000 0.201 314 K C 1.225 177.822 176.600 -0.004 0.000 1.046 314 K CA 1.403 57.696 56.287 0.010 0.000 0.945 314 K CB -0.280 32.220 32.500 0.000 0.000 0.750 314 K HN 0.381 nan 8.250 nan 0.000 0.464 315 E N -0.618 119.584 120.200 0.003 0.000 2.268 315 E HA -0.063 4.292 4.350 0.009 0.000 0.195 315 E C 0.156 176.750 176.600 -0.009 0.000 0.995 315 E CA 0.529 56.926 56.400 -0.005 0.000 0.836 315 E CB 0.098 29.797 29.700 -0.001 0.000 0.763 315 E HN 0.136 nan 8.360 nan 0.000 0.491 316 V N 0.630 120.547 119.914 0.005 0.000 2.394 316 V HA 0.413 4.539 4.120 0.009 0.000 0.282 316 V C -0.505 175.597 176.094 0.014 0.000 1.031 316 V CA -0.851 61.455 62.300 0.009 0.000 0.881 316 V CB 1.317 33.149 31.823 0.015 0.000 0.982 316 V HN -0.046 nan 8.190 nan 0.000 0.451 317 R N 5.152 125.633 120.500 -0.032 0.000 2.536 317 R HA 0.738 5.083 4.340 0.009 0.000 0.279 317 R C -1.321 174.961 176.300 -0.030 0.000 1.001 317 R CA -0.244 55.783 56.100 -0.122 0.000 1.027 317 R CB 1.657 31.900 30.300 -0.094 0.000 1.096 317 R HN 0.903 nan 8.270 nan 0.000 0.502 318 Y N -2.831 117.454 120.300 -0.026 0.000 2.581 318 Y HA 0.442 5.002 4.550 0.016 0.000 0.337 318 Y C -0.432 175.492 175.900 0.040 0.000 1.108 318 Y CA -1.490 56.601 58.100 -0.015 0.000 1.033 318 Y CB 0.753 39.185 38.460 -0.046 0.000 1.318 318 Y HN 0.630 nan 8.280 nan 0.000 0.459 319 T N -0.293 114.424 114.554 0.272 0.000 2.849 319 T HA 0.595 4.951 4.350 0.009 0.000 0.284 319 T C -0.353 174.482 174.700 0.225 0.000 1.004 319 T CA -1.007 61.218 62.100 0.209 0.000 1.021 319 T CB 0.905 69.914 68.868 0.234 0.000 1.013 319 T HN 0.779 nan 8.240 nan 0.000 0.527 320 R N 2.019 122.614 120.500 0.158 0.000 2.363 320 R HA 0.349 4.695 4.340 0.009 0.000 0.297 320 R C -2.637 173.747 176.300 0.140 0.000 1.208 320 R CA -1.799 54.387 56.100 0.144 0.000 1.121 320 R CB 1.195 31.557 30.300 0.103 0.000 1.124 320 R HN 0.582 nan 8.270 nan 0.000 0.561 321 P HA 0.093 nan 4.420 nan 0.000 0.275 321 P C -0.469 176.901 177.300 0.116 0.000 1.227 321 P CA -0.310 62.873 63.100 0.138 0.000 0.781 321 P CB 1.100 32.899 31.700 0.164 0.000 0.906 322 K N 1.074 121.491 120.400 0.029 0.000 2.387 322 K HA 0.412 4.738 4.320 0.009 0.000 0.198 322 K C 0.967 177.149 176.600 -0.697 0.000 1.022 322 K CA -0.163 56.134 56.287 0.017 0.000 1.128 322 K CB 0.396 33.023 32.500 0.212 0.000 0.853 322 K HN 0.709 nan 8.250 nan 0.000 0.523 323 G N -0.441 107.370 108.800 -1.648 0.000 2.321 323 G HA2 0.399 4.364 3.960 0.009 0.000 0.296 323 G HA3 0.399 4.364 3.960 0.009 0.000 0.296 323 G C -0.333 173.399 174.900 -1.946 0.000 1.287 323 G CA -0.307 42.977 45.100 -3.027 0.000 0.846 323 G HN 0.238 nan 8.290 nan 0.000 0.508 324 G N -1.021 106.920 108.800 -1.433 0.000 2.553 324 G HA2 -0.031 3.934 3.960 0.009 0.000 0.242 324 G HA3 -0.031 3.934 3.960 0.009 0.000 0.242 324 G C 0.818 175.320 174.900 -0.664 0.000 1.277 324 G CA 0.966 45.591 45.100 -0.792 0.000 0.910 324 G HN 1.336 nan 8.290 nan 0.000 0.576 325 M N -0.543 118.439 119.600 -1.030 0.000 2.279 325 M HA 0.405 4.890 4.480 0.009 0.000 0.306 325 M C -0.486 174.850 176.300 -1.607 0.000 0.965 325 M CA 0.395 54.864 55.300 -1.386 0.000 1.038 325 M CB 0.809 32.524 32.600 -1.475 0.000 1.636 325 M HN 0.205 nan 8.290 nan 0.000 0.574 326 F N -0.055 119.630 119.950 -0.442 0.000 2.546 326 F HA 0.594 5.125 4.527 0.007 0.000 0.320 326 F C -0.193 175.685 175.800 0.130 0.000 1.076 326 F CA -1.472 56.426 58.000 -0.170 0.000 0.928 326 F CB 1.233 40.150 39.000 -0.139 0.000 1.189 326 F HN -0.427 nan 8.300 nan 0.000 0.465 327 V N 2.191 122.331 119.914 0.378 0.000 2.459 327 V HA 0.257 4.382 4.120 0.009 0.000 0.295 327 V C -0.980 175.286 176.094 0.287 0.000 1.029 327 V CA -0.956 61.523 62.300 0.299 0.000 0.874 327 V CB 1.968 33.892 31.823 0.170 0.000 0.985 327 V HN 0.814 nan 8.190 nan 0.000 0.438 328 W N 7.592 128.922 121.300 0.050 0.000 2.391 328 W HA 0.675 5.341 4.660 0.010 0.000 0.311 328 W C -0.849 175.689 176.519 0.031 0.000 1.087 328 W CA -0.798 56.540 57.345 -0.012 0.000 1.209 328 W CB 1.687 31.127 29.460 -0.034 0.000 1.273 328 W HN 0.587 nan 8.180 nan 0.000 0.482 329 M N 5.561 124.897 119.600 -0.439 0.000 2.465 329 M HA 0.387 4.872 4.480 0.009 0.000 0.316 329 M C -1.507 174.491 176.300 -0.503 0.000 1.121 329 M CA -0.224 54.892 55.300 -0.306 0.000 0.934 329 M CB 2.230 34.686 32.600 -0.239 0.000 1.692 329 M HN 0.460 nan 8.290 nan 0.000 0.444 330 E N 4.907 124.947 120.200 -0.267 0.000 2.191 330 E HA 0.471 4.827 4.350 0.009 0.000 0.263 330 E C -1.335 175.188 176.600 -0.128 0.000 0.881 330 E CA -0.635 55.633 56.400 -0.221 0.000 0.757 330 E CB 2.283 31.915 29.700 -0.113 0.000 1.147 330 E HN 0.669 nan 8.360 nan 0.000 0.414 331 L N 3.442 124.588 121.223 -0.129 0.000 2.439 331 L HA 0.386 4.732 4.340 0.009 0.000 0.261 331 L C -2.061 174.778 176.870 -0.052 0.000 1.153 331 L CA -2.254 52.539 54.840 -0.077 0.000 0.808 331 L CB -0.042 41.975 42.059 -0.071 0.000 1.126 331 L HN 0.239 nan 8.230 nan 0.000 0.460 332 P HA -0.088 nan 4.420 nan 0.000 0.263 332 P C -0.702 176.584 177.300 -0.023 0.000 1.175 332 P CA -0.009 63.077 63.100 -0.023 0.000 0.761 332 P CB 0.235 31.926 31.700 -0.015 0.000 0.794 333 K N 2.875 123.263 120.400 -0.020 0.000 2.451 333 K HA 0.121 4.446 4.320 0.009 0.000 0.280 333 K C 1.068 177.658 176.600 -0.016 0.000 1.020 333 K CA 1.020 57.295 56.287 -0.021 0.000 1.008 333 K CB -0.630 31.859 32.500 -0.017 0.000 0.917 333 K HN 0.772 nan 8.250 nan 0.000 0.478 334 G N 3.035 111.825 108.800 -0.017 0.000 2.259 334 G HA2 -0.215 3.750 3.960 0.009 0.000 0.217 334 G HA3 -0.215 3.750 3.960 0.009 0.000 0.217 334 G C 0.033 174.930 174.900 -0.006 0.000 1.001 334 G CA 0.025 45.118 45.100 -0.010 0.000 0.627 334 G HN 0.516 nan 8.290 nan 0.000 0.501 335 L N 1.517 122.735 121.223 -0.008 0.000 2.375 335 L HA 0.672 5.017 4.340 0.009 0.000 0.271 335 L C 0.684 177.554 176.870 0.000 0.000 1.107 335 L CA -0.290 54.550 54.840 -0.001 0.000 0.806 335 L CB 1.768 43.825 42.059 -0.002 0.000 1.146 335 L HN 0.228 nan 8.230 nan 0.000 0.447 336 S N 0.900 116.612 115.700 0.020 0.000 2.437 336 S HA 0.495 4.971 4.470 0.009 0.000 0.305 336 S C 0.714 175.357 174.600 0.071 0.000 1.109 336 S CA -0.228 57.993 58.200 0.034 0.000 1.099 336 S CB 1.734 64.958 63.200 0.041 0.000 1.004 336 S HN 0.690 nan 8.310 nan 0.000 0.475 337 A N 4.045 126.911 122.820 0.077 0.000 1.969 337 A HA 0.010 4.336 4.320 0.009 0.000 0.218 337 A C 2.001 179.765 177.584 0.300 0.000 1.169 337 A CA 1.009 53.146 52.037 0.168 0.000 0.635 337 A CB -0.519 18.551 19.000 0.117 0.000 0.810 337 A HN 0.888 nan 8.150 nan 0.000 0.445 338 E N -0.313 119.996 120.200 0.182 0.000 2.106 338 E HA -0.129 4.226 4.350 0.009 0.000 0.192 338 E C 2.193 178.909 176.600 0.193 0.000 0.984 338 E CA 0.986 57.478 56.400 0.154 0.000 0.806 338 E CB -0.356 29.378 29.700 0.057 0.000 0.750 338 E HN 0.562 nan 8.360 nan 0.000 0.458 339 G N 1.939 110.826 108.800 0.146 0.000 2.491 339 G HA2 -0.273 3.692 3.960 0.009 0.000 0.218 339 G HA3 -0.273 3.692 3.960 0.009 0.000 0.218 339 G C 1.629 176.629 174.900 0.168 0.000 1.180 339 G CA 0.531 45.708 45.100 0.128 0.000 0.774 339 G HN 0.236 nan 8.290 nan 0.000 0.562 340 L N -0.656 120.701 121.223 0.223 0.000 2.042 340 L HA -0.059 4.287 4.340 0.009 0.000 0.210 340 L C 2.610 179.693 176.870 0.355 0.000 1.076 340 L CA 1.682 56.694 54.840 0.288 0.000 0.749 340 L CB -0.386 41.871 42.059 0.330 0.000 0.893 340 L HN 0.298 nan 8.230 nan 0.000 0.432 341 F N 0.898 120.975 119.950 0.212 0.000 2.091 341 F HA -0.296 4.239 4.527 0.015 0.000 0.299 341 F C 2.608 178.347 175.800 -0.102 0.000 1.103 341 F CA 1.601 59.496 58.000 -0.174 0.000 1.228 341 F CB -0.201 38.646 39.000 -0.254 0.000 0.984 341 F HN 0.021 nan 8.300 nan 0.000 0.477 342 R N 0.538 121.096 120.500 0.098 0.000 2.096 342 R HA -0.079 4.266 4.340 0.009 0.000 0.235 342 R C 2.299 178.568 176.300 -0.052 0.000 1.127 342 R CA 1.401 57.505 56.100 0.007 0.000 0.968 342 R CB -0.957 29.394 30.300 0.085 0.000 0.861 342 R HN 0.382 nan 8.270 nan 0.000 0.440 343 R N 0.077 120.578 120.500 0.001 0.000 2.090 343 R HA 0.074 4.419 4.340 0.009 0.000 0.228 343 R C 2.219 178.503 176.300 -0.028 0.000 1.110 343 R CA 1.111 57.214 56.100 0.004 0.000 0.973 343 R CB -0.290 30.038 30.300 0.048 0.000 0.869 343 R HN 0.175 nan 8.270 nan 0.000 0.440 344 A N 1.330 124.122 122.820 -0.047 0.000 1.902 344 A HA -0.116 4.209 4.320 0.009 0.000 0.217 344 A C 2.144 179.614 177.584 -0.191 0.000 1.181 344 A CA 1.062 53.060 52.037 -0.065 0.000 0.623 344 A CB -0.492 18.496 19.000 -0.020 0.000 0.818 344 A HN 0.170 nan 8.150 nan 0.000 0.443 345 L N -0.776 120.238 121.223 -0.348 0.000 2.083 345 L HA -0.220 4.125 4.340 0.009 0.000 0.209 345 L C 2.584 179.356 176.870 -0.164 0.000 1.083 345 L CA 1.686 56.333 54.840 -0.321 0.000 0.752 345 L CB -0.614 41.206 42.059 -0.398 0.000 0.899 345 L HN 0.496 nan 8.230 nan 0.000 0.433 346 E N -0.149 119.980 120.200 -0.117 0.000 2.085 346 E HA -0.223 4.133 4.350 0.009 0.000 0.194 346 E C 1.783 178.352 176.600 -0.051 0.000 0.994 346 E CA 1.132 57.493 56.400 -0.065 0.000 0.801 346 E CB 0.028 29.704 29.700 -0.040 0.000 0.743 346 E HN 0.422 nan 8.360 nan 0.000 0.453 347 E N 0.311 120.483 120.200 -0.047 0.000 2.502 347 E HA -0.040 4.315 4.350 0.009 0.000 0.194 347 E C -0.318 176.259 176.600 -0.038 0.000 1.062 347 E CA 0.209 56.593 56.400 -0.026 0.000 0.867 347 E CB -0.163 29.538 29.700 0.000 0.000 0.888 347 E HN 0.298 nan 8.360 nan 0.000 0.510 348 N N -0.301 118.357 118.700 -0.069 0.000 2.783 348 N HA -0.159 4.586 4.740 0.009 0.000 0.247 348 N C -0.894 174.566 175.510 -0.083 0.000 1.089 348 N CA 0.599 53.601 53.050 -0.080 0.000 0.690 348 N CB -1.288 37.164 38.487 -0.058 0.000 0.991 348 N HN 0.048 nan 8.380 nan 0.000 0.552 349 V N -0.890 118.971 119.914 -0.088 0.000 2.962 349 V HA 0.949 5.074 4.120 0.009 0.000 0.313 349 V C -1.011 175.018 176.094 -0.108 0.000 1.099 349 V CA 0.030 62.294 62.300 -0.060 0.000 0.971 349 V CB 2.129 33.989 31.823 0.062 0.000 1.028 349 V HN 0.334 nan 8.190 nan 0.000 0.430 350 A N 4.424 127.219 122.820 -0.041 0.000 2.587 350 A HA 1.047 5.373 4.320 0.009 0.000 0.293 350 A C -1.244 176.482 177.584 0.238 0.000 1.087 350 A CA -0.326 51.649 52.037 -0.103 0.000 0.692 350 A CB 1.761 20.697 19.000 -0.107 0.000 1.291 350 A HN 1.831 nan 8.150 nan 0.000 0.407 351 F N -1.568 118.594 119.950 0.353 0.000 2.877 351 F HA 0.704 5.232 4.527 0.002 0.000 0.319 351 F C -1.445 174.587 175.800 0.387 0.000 1.174 351 F CA -1.282 56.941 58.000 0.371 0.000 0.903 351 F CB 1.042 40.233 39.000 0.318 0.000 1.357 351 F HN 0.356 nan 8.300 nan 0.000 0.472 352 V N 1.802 122.125 119.914 0.682 0.000 2.350 352 V HA 0.449 4.575 4.120 0.009 0.000 0.276 352 V C -2.377 174.086 176.094 0.614 0.000 1.028 352 V CA -1.971 60.630 62.300 0.500 0.000 0.860 352 V CB 0.953 33.073 31.823 0.495 0.000 0.990 352 V HN 0.512 nan 8.190 nan 0.000 0.453 353 P HA 0.132 nan 4.420 nan 0.000 0.269 353 P C 1.018 178.554 177.300 0.393 0.000 1.209 353 P CA 0.164 63.483 63.100 0.364 0.000 0.776 353 P CB 0.813 32.597 31.700 0.139 0.000 0.876 354 G N 2.034 111.052 108.800 0.364 0.000 2.623 354 G HA2 -0.082 3.883 3.960 0.009 0.000 0.214 354 G HA3 -0.082 3.883 3.960 0.009 0.000 0.214 354 G C 1.669 177.032 174.900 0.772 0.000 1.138 354 G CA 0.624 46.134 45.100 0.683 0.000 0.794 354 G HN 0.610 nan 8.290 nan 0.000 0.535 355 G N 2.015 111.059 108.800 0.406 0.000 2.529 355 G HA2 -0.215 3.750 3.960 0.009 0.000 0.219 355 G HA3 -0.215 3.750 3.960 0.009 0.000 0.219 355 G C 0.081 175.138 174.900 0.262 0.000 1.177 355 G CA 1.284 46.555 45.100 0.285 0.000 0.773 355 G HN 0.427 nan 8.290 nan 0.000 0.573 356 P HA -0.014 nan 4.420 nan 0.000 0.225 356 P C 0.999 178.152 177.300 -0.244 0.000 1.148 356 P CA 0.568 63.576 63.100 -0.154 0.000 0.779 356 P CB -0.172 31.329 31.700 -0.331 0.000 0.780 357 F N -2.493 117.491 119.950 0.057 0.000 2.802 357 F HA 0.116 4.648 4.527 0.008 0.000 0.300 357 F C 0.757 176.392 175.800 -0.275 0.000 1.168 357 F CA 0.301 58.227 58.000 -0.122 0.000 1.433 357 F CB -0.732 38.171 39.000 -0.161 0.000 1.115 357 F HN -0.196 nan 8.300 nan 0.000 0.582 358 F N -0.462 119.529 119.950 0.069 0.000 2.361 358 F HA 0.476 5.008 4.527 0.008 0.000 0.364 358 F C 1.140 176.877 175.800 -0.105 0.000 1.117 358 F CA -0.914 57.094 58.000 0.014 0.000 1.071 358 F CB 1.073 40.113 39.000 0.067 0.000 1.188 358 F HN -0.098 nan 8.300 nan 0.000 0.464 359 A N 3.100 125.865 122.820 -0.091 0.000 1.940 359 A HA -0.228 4.097 4.320 0.009 0.000 0.219 359 A C 1.408 178.879 177.584 -0.189 0.000 1.176 359 A CA 1.881 53.699 52.037 -0.366 0.000 0.631 359 A CB -0.511 18.101 19.000 -0.647 0.000 0.814 359 A HN 0.857 nan 8.150 nan 0.000 0.446 360 N N -1.259 117.441 118.700 0.000 0.000 2.234 360 N HA 0.424 5.169 4.740 0.009 0.000 0.227 360 N C 0.195 175.741 175.510 0.059 0.000 1.151 360 N CA 0.312 53.393 53.050 0.052 0.000 0.865 360 N CB 0.766 39.307 38.487 0.091 0.000 1.066 360 N HN 0.664 nan 8.380 nan 0.000 0.515 361 G N -0.336 108.509 108.800 0.075 0.000 2.692 361 G HA2 0.320 4.285 3.960 0.009 0.000 0.686 361 G HA3 0.320 4.285 3.960 0.009 0.000 0.686 361 G C -0.135 174.755 174.900 -0.016 0.000 1.243 361 G CA -0.769 44.358 45.100 0.044 0.000 0.782 361 G HN 0.572 nan 8.290 nan 0.000 0.625 362 G N -1.070 107.640 108.800 -0.150 0.000 2.346 362 G HA2 0.611 4.577 3.960 0.009 0.000 0.294 362 G HA3 0.611 4.577 3.960 0.009 0.000 0.294 362 G C 1.385 175.849 174.900 -0.728 0.000 1.294 362 G CA 1.199 46.036 45.100 -0.438 0.000 0.962 362 G HN 2.983 nan 8.290 nan 0.000 0.508 363 G N -1.641 106.615 108.800 -0.907 0.000 2.273 363 G HA2 0.200 4.165 3.960 0.009 0.000 0.280 363 G HA3 0.200 4.165 3.960 0.009 0.000 0.280 363 G C 1.034 175.842 174.900 -0.153 0.000 1.047 363 G CA 1.920 46.648 45.100 -0.620 0.000 0.869 363 G HN 2.243 nan 8.290 nan 0.000 0.502 364 E N 0.578 120.695 120.200 -0.139 0.000 2.204 364 E HA -0.138 4.217 4.350 0.009 0.000 0.194 364 E C 1.966 178.544 176.600 -0.036 0.000 0.989 364 E CA 1.563 57.933 56.400 -0.050 0.000 0.824 364 E CB -0.544 29.128 29.700 -0.047 0.000 0.756 364 E HN 0.987 nan 8.360 nan 0.000 0.477 365 N N 0.695 119.354 118.700 -0.068 0.000 2.336 365 N HA -0.025 4.720 4.740 0.009 0.000 0.189 365 N C 0.637 176.065 175.510 -0.136 0.000 1.113 365 N CA 0.964 53.970 53.050 -0.073 0.000 0.858 365 N CB -0.065 38.383 38.487 -0.064 0.000 0.970 365 N HN 0.421 nan 8.380 nan 0.000 0.471 366 T N -0.453 113.999 114.554 -0.169 0.000 2.952 366 T HA 0.678 5.034 4.350 0.009 0.000 0.286 366 T C -0.118 174.294 174.700 -0.480 0.000 1.024 366 T CA -0.838 61.000 62.100 -0.436 0.000 1.029 366 T CB 1.797 70.395 68.868 -0.451 0.000 1.094 366 T HN 0.147 nan 8.240 nan 0.000 0.515 367 L N -1.269 119.456 121.223 -0.830 0.000 2.582 367 L HA 0.659 5.004 4.340 0.009 0.000 0.257 367 L C -0.986 175.578 176.870 -0.510 0.000 0.974 367 L CA -1.115 53.422 54.840 -0.505 0.000 0.851 367 L CB 1.611 43.395 42.059 -0.458 0.000 1.424 367 L HN 0.985 nan 8.230 nan 0.000 0.412 368 R N 1.439 121.909 120.500 -0.051 0.000 2.407 368 R HA 0.849 5.194 4.340 0.009 0.000 0.303 368 R C -1.475 174.917 176.300 0.154 0.000 0.981 368 R CA -0.655 55.500 56.100 0.092 0.000 0.905 368 R CB 1.502 31.791 30.300 -0.018 0.000 1.099 368 R HN 0.802 nan 8.270 nan 0.000 0.459 369 L N 2.293 123.609 121.223 0.155 0.000 2.341 369 L HA 0.366 4.711 4.340 0.009 0.000 0.278 369 L C -0.284 176.784 176.870 0.330 0.000 1.005 369 L CA -0.624 54.327 54.840 0.184 0.000 0.818 369 L CB 2.085 44.081 42.059 -0.105 0.000 1.259 369 L HN 0.554 nan 8.230 nan 0.000 0.418 370 S N 1.372 117.333 115.700 0.435 0.000 2.437 370 S HA 0.372 4.847 4.470 0.009 0.000 0.305 370 S C 0.069 174.853 174.600 0.306 0.000 1.109 370 S CA -0.550 57.839 58.200 0.316 0.000 1.099 370 S CB 0.535 63.982 63.200 0.413 0.000 1.004 370 S HN 0.498 nan 8.310 nan 0.000 0.475 371 Y N 3.105 123.550 120.300 0.243 0.000 2.524 371 Y HA 0.589 5.142 4.550 0.005 0.000 0.266 371 Y C 1.445 177.468 175.900 0.204 0.000 1.180 371 Y CA -0.076 58.169 58.100 0.241 0.000 1.244 371 Y CB -0.726 37.806 38.460 0.121 0.000 1.125 371 Y HN 0.605 nan 8.280 nan 0.000 0.524 372 A N 0.639 123.518 122.820 0.099 0.000 1.929 372 A HA -0.064 4.261 4.320 0.009 0.000 0.216 372 A C 2.050 179.734 177.584 0.167 0.000 1.176 372 A CA 1.979 54.164 52.037 0.246 0.000 0.628 372 A CB -0.924 18.195 19.000 0.199 0.000 0.816 372 A HN 0.452 nan 8.150 nan 0.000 0.444 373 T N -0.105 114.527 114.554 0.130 0.000 2.976 373 T HA 0.264 4.620 4.350 0.009 0.000 0.257 373 T C 0.782 175.495 174.700 0.022 0.000 1.051 373 T CA 0.211 62.348 62.100 0.062 0.000 1.141 373 T CB -0.254 68.659 68.868 0.074 0.000 0.881 373 T HN 0.238 nan 8.240 nan 0.000 0.461 374 L N 1.709 122.964 121.223 0.053 0.000 2.439 374 L HA 0.347 4.692 4.340 0.009 0.000 0.261 374 L C 0.470 177.351 176.870 0.018 0.000 1.153 374 L CA -0.925 53.927 54.840 0.020 0.000 0.808 374 L CB 0.274 42.340 42.059 0.011 0.000 1.126 374 L HN 0.052 nan 8.230 nan 0.000 0.460 375 D N 0.291 120.687 120.400 -0.006 0.000 2.390 375 D HA 0.002 4.647 4.640 0.009 0.000 0.236 375 D C 1.210 177.516 176.300 0.010 0.000 1.189 375 D CA 0.214 54.206 54.000 -0.013 0.000 0.887 375 D CB 0.788 41.577 40.800 -0.018 0.000 1.198 375 D HN 0.341 nan 8.370 nan 0.000 0.444 376 R N 1.039 121.536 120.500 -0.005 0.000 2.103 376 R HA -0.165 4.180 4.340 0.009 0.000 0.242 376 R C 1.860 178.171 176.300 0.019 0.000 1.142 376 R CA 1.232 57.333 56.100 0.002 0.000 0.960 376 R CB 0.017 30.306 30.300 -0.019 0.000 0.858 376 R HN 0.566 nan 8.270 nan 0.000 0.439 377 E N -0.490 119.715 120.200 0.009 0.000 2.051 377 E HA -0.143 4.212 4.350 0.009 0.000 0.192 377 E C 2.139 178.754 176.600 0.024 0.000 0.991 377 E CA 1.356 57.764 56.400 0.013 0.000 0.799 377 E CB -0.228 29.472 29.700 0.001 0.000 0.748 377 E HN 0.515 nan 8.360 nan 0.000 0.449 378 G N 1.649 110.459 108.800 0.017 0.000 2.442 378 G HA2 -0.230 3.735 3.960 0.009 0.000 0.219 378 G HA3 -0.230 3.735 3.960 0.009 0.000 0.219 378 G C 1.553 176.489 174.900 0.061 0.000 1.141 378 G CA 0.494 45.599 45.100 0.008 0.000 0.763 378 G HN 0.090 nan 8.290 nan 0.000 0.554 379 I N 1.993 122.640 120.570 0.128 0.000 2.099 379 I HA -0.156 4.020 4.170 0.009 0.000 0.239 379 I C 3.308 179.560 176.117 0.225 0.000 1.066 379 I CA 1.221 62.681 61.300 0.266 0.000 1.324 379 I CB -1.534 36.575 38.000 0.183 0.000 1.037 379 I HN 0.266 nan 8.210 nan 0.000 0.401 380 A N 0.350 123.239 122.820 0.115 0.000 1.892 380 A HA -0.288 4.037 4.320 0.009 0.000 0.218 380 A C 2.317 179.953 177.584 0.088 0.000 1.188 380 A CA 2.327 54.413 52.037 0.081 0.000 0.631 380 A CB -0.741 18.288 19.000 0.048 0.000 0.822 380 A HN 0.483 nan 8.150 nan 0.000 0.447 381 E N -0.278 119.967 120.200 0.076 0.000 2.017 381 E HA -0.039 4.316 4.350 0.009 0.000 0.193 381 E C 2.074 178.730 176.600 0.092 0.000 0.997 381 E CA 1.791 58.226 56.400 0.059 0.000 0.804 381 E CB -0.970 28.745 29.700 0.025 0.000 0.757 381 E HN 0.370 nan 8.360 nan 0.000 0.448 382 G N 0.219 109.089 108.800 0.118 0.000 2.505 382 G HA2 -0.282 3.683 3.960 0.009 0.000 0.220 382 G HA3 -0.282 3.683 3.960 0.009 0.000 0.220 382 G C 1.755 176.906 174.900 0.418 0.000 1.145 382 G CA 1.311 46.507 45.100 0.160 0.000 0.761 382 G HN 0.282 nan 8.290 nan 0.000 0.571 383 V N 1.766 121.927 119.914 0.411 0.000 2.427 383 V HA -0.167 3.958 4.120 0.009 0.000 0.248 383 V C 2.916 179.071 176.094 0.101 0.000 1.051 383 V CA 2.244 64.654 62.300 0.185 0.000 1.048 383 V CB -0.433 31.401 31.823 0.019 0.000 0.666 383 V HN 0.664 nan 8.190 nan 0.000 0.456 384 R N 0.728 121.282 120.500 0.090 0.000 2.096 384 R HA -0.151 4.194 4.340 0.009 0.000 0.235 384 R C 2.291 178.629 176.300 0.062 0.000 1.127 384 R CA 1.637 57.771 56.100 0.057 0.000 0.968 384 R CB -0.529 29.797 30.300 0.043 0.000 0.861 384 R HN 0.364 nan 8.270 nan 0.000 0.440 385 R N 0.745 121.294 120.500 0.082 0.000 2.083 385 R HA -0.085 4.261 4.340 0.009 0.000 0.237 385 R C 2.497 178.853 176.300 0.094 0.000 1.137 385 R CA 1.723 57.867 56.100 0.074 0.000 0.951 385 R CB -0.657 29.684 30.300 0.068 0.000 0.851 385 R HN 0.295 nan 8.270 nan 0.000 0.434 386 L N 0.418 121.727 121.223 0.143 0.000 2.012 386 L HA -0.144 4.201 4.340 0.009 0.000 0.210 386 L C 2.327 179.238 176.870 0.068 0.000 1.073 386 L CA 1.841 56.764 54.840 0.138 0.000 0.748 386 L CB -0.871 41.274 42.059 0.144 0.000 0.891 386 L HN 0.352 nan 8.230 nan 0.000 0.431 387 G N -0.513 108.312 108.800 0.042 0.000 2.469 387 G HA2 -0.297 3.668 3.960 0.009 0.000 0.219 387 G HA3 -0.297 3.668 3.960 0.009 0.000 0.219 387 G C 1.640 176.557 174.900 0.029 0.000 1.150 387 G CA 0.712 45.826 45.100 0.023 0.000 0.763 387 G HN 0.354 nan 8.290 nan 0.000 0.561 388 R N 0.413 120.934 120.500 0.035 0.000 2.073 388 R HA 0.001 4.347 4.340 0.009 0.000 0.234 388 R C 3.083 179.404 176.300 0.036 0.000 1.134 388 R CA 1.147 57.266 56.100 0.031 0.000 0.952 388 R CB -0.463 29.854 30.300 0.028 0.000 0.850 388 R HN 0.358 nan 8.270 nan 0.000 0.433 389 A N 1.306 124.156 122.820 0.050 0.000 1.908 389 A HA -0.163 4.162 4.320 0.009 0.000 0.218 389 A C 2.201 179.819 177.584 0.057 0.000 1.181 389 A CA 1.288 53.363 52.037 0.062 0.000 0.627 389 A CB -0.564 18.498 19.000 0.102 0.000 0.818 389 A HN 0.188 nan 8.150 nan 0.000 0.445 390 L N -0.939 120.312 121.223 0.046 0.000 2.056 390 L HA -0.180 4.165 4.340 0.009 0.000 0.207 390 L C 2.591 179.475 176.870 0.025 0.000 1.078 390 L CA 1.228 56.085 54.840 0.029 0.000 0.749 390 L CB -0.401 41.664 42.059 0.010 0.000 0.901 390 L HN 0.194 nan 8.230 nan 0.000 0.433 391 K N 0.378 120.793 120.400 0.023 0.000 2.020 391 K HA -0.167 4.158 4.320 0.009 0.000 0.212 391 K C 2.031 178.643 176.600 0.020 0.000 1.050 391 K CA 1.733 58.032 56.287 0.020 0.000 0.929 391 K CB -1.312 31.199 32.500 0.019 0.000 0.714 391 K HN 0.386 nan 8.250 nan 0.000 0.443 392 G N 0.861 109.675 108.800 0.023 0.000 2.471 392 G HA2 -0.181 3.784 3.960 0.009 0.000 0.219 392 G HA3 -0.181 3.784 3.960 0.009 0.000 0.219 392 G C 1.623 176.537 174.900 0.024 0.000 1.125 392 G CA 0.501 45.614 45.100 0.022 0.000 0.775 392 G HN 0.233 nan 8.290 nan 0.000 0.548 393 L N -0.273 120.968 121.223 0.029 0.000 2.068 393 L HA 0.227 4.572 4.340 0.009 0.000 0.204 393 L C 2.374 179.257 176.870 0.021 0.000 1.076 393 L CA 0.866 55.724 54.840 0.031 0.000 0.753 393 L CB -0.233 41.850 42.059 0.041 0.000 0.910 393 L HN 0.044 nan 8.230 nan 0.000 0.439 394 L N 0.243 121.477 121.223 0.018 0.000 2.353 394 L HA 0.026 4.372 4.340 0.009 0.000 0.220 394 L C 1.561 178.437 176.870 0.011 0.000 1.133 394 L CA 1.103 55.950 54.840 0.012 0.000 0.798 394 L CB -1.942 40.123 42.059 0.011 0.000 0.922 394 L HN 0.327 nan 8.230 nan 0.000 0.445 395 A N 0.000 122.828 122.820 0.013 0.000 2.254 395 A HA 0.000 4.325 4.320 0.009 0.000 0.244 395 A CA 0.000 52.044 52.037 0.011 0.000 0.836 395 A CB 0.000 19.007 19.000 0.012 0.000 0.831 395 A HN 0.000 nan 8.150 nan 0.000 0.486