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 1azx_1_I DATA FIRST_RESID 2 DATA SEQUENCE GSPVDIcTAK PRDIPMNPMc IYRSXXXXXX XXXXXXXKIP EATNRRVWEL DATA SEQUENCE SKANSRFATT FYQHLADSKN DNDNIFLSPL SISTAFAMTK LGAcNDTLQQ DATA SEQUENCE LMEVFKFDTI SEKTSDQIHF FFAKLNcRLY RKANKSSKLV SANRLFGDKS DATA SEQUENCE LTFNETYQDI SELVYGAKLQ PLDFKENAEQ SRAAINKWVS NKTEGRITDV DATA SEQUENCE IPSEAINELT VLVLVNTIYF KGLWKSKFSP ENTRKELFYK ADGEScSASM DATA SEQUENCE MYQEGKFRYR RVAEGTQVLE LPFKGDDITM VLILPKPEKS LAKVEKELTP DATA SEQUENCE EVLQEWLDEL EEMMLVVHMP RFRIEDGFSL KEQLQDMGLV DLFSPEKSKL DATA SEQUENCE PGIVAEGRDD LYVSDAFHKA FLEVNEEGSE AAASTAVVIA GRSLNPNRVT DATA SEQUENCE FKANRPFLVF IREVPLNTII FMGRVANPcV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 G HA2 0.000 nan 3.960 nan 0.000 0.244 2 G HA3 0.000 3.960 3.960 0.001 0.000 0.244 2 G C 0.000 174.973 174.900 0.122 0.000 0.946 2 G CA 0.000 45.142 45.100 0.069 0.000 0.502 3 S N 2.528 118.272 115.700 0.073 0.000 2.737 3 S HA 0.251 4.721 4.470 0.001 0.000 0.315 3 S C -0.759 173.877 174.600 0.059 0.000 1.236 3 S CA 0.134 58.372 58.200 0.063 0.000 1.093 3 S CB 0.874 64.096 63.200 0.036 0.000 0.832 3 S HN 0.685 nan 8.310 nan 0.000 0.507 4 P HA 0.504 nan 4.420 nan 0.000 0.296 4 P C 0.847 178.167 177.300 0.034 0.000 1.351 4 P CA -0.187 62.948 63.100 0.059 0.000 0.829 4 P CB 0.082 31.841 31.700 0.098 0.000 2.109 5 V N -1.071 118.861 119.914 0.030 0.000 0.558 5 V HA -0.375 3.745 4.120 0.001 0.000 0.092 5 V C 2.110 178.214 176.094 0.017 0.000 2.022 5 V CA 2.459 64.771 62.300 0.020 0.000 3.478 5 V CB -2.564 29.270 31.823 0.019 0.000 0.770 5 V HN 0.514 nan 8.190 nan 0.000 0.801 6 D N 0.576 120.986 120.400 0.017 0.000 2.380 6 D HA -0.200 4.440 4.640 0.001 0.000 0.198 6 D C 1.492 177.805 176.300 0.022 0.000 1.027 6 D CA 2.941 56.952 54.000 0.018 0.000 0.880 6 D CB -0.173 40.637 40.800 0.016 0.000 1.064 6 D HN 0.783 nan 8.370 nan 0.000 0.465 7 I N -0.333 120.244 120.570 0.010 0.000 3.564 7 I HA 0.038 4.208 4.170 0.001 0.000 0.294 7 I C 2.363 178.452 176.117 -0.047 0.000 1.289 7 I CA -0.083 61.217 61.300 0.001 0.000 1.325 7 I CB -0.845 37.131 38.000 -0.039 0.000 1.039 7 I HN 0.016 nan 8.210 nan 0.000 0.474 8 c N 1.099 119.684 118.600 -0.024 0.000 2.448 8 c HA -0.027 4.544 4.570 0.001 0.000 0.280 8 c C 2.538 176.625 174.090 -0.004 0.000 1.398 8 c CA 1.597 57.912 56.329 -0.024 0.000 1.774 8 c CB -1.313 41.198 42.510 0.003 0.000 1.888 8 c HN 0.736 nan 8.230 nan 0.000 0.519 9 T N -2.717 111.848 114.554 0.018 0.000 2.975 9 T HA 0.415 4.766 4.350 0.001 0.000 0.261 9 T C 0.569 175.306 174.700 0.061 0.000 0.984 9 T CA 0.510 62.631 62.100 0.035 0.000 0.911 9 T CB -0.065 68.820 68.868 0.028 0.000 1.127 9 T HN 0.323 nan 8.240 nan 0.000 0.514 10 A N 2.471 125.338 122.820 0.079 0.000 2.477 10 A HA 0.527 4.848 4.320 0.001 0.000 0.246 10 A C 0.395 178.110 177.584 0.217 0.000 1.078 10 A CA -0.307 51.802 52.037 0.120 0.000 0.770 10 A CB 0.297 19.374 19.000 0.127 0.000 1.011 10 A HN 0.179 nan 8.150 nan 0.000 0.494 11 K N 2.265 122.732 120.400 0.111 0.000 2.090 11 K HA 0.276 4.596 4.320 0.001 0.000 0.250 11 K C -1.822 174.647 176.600 -0.217 0.000 1.004 11 K CA -2.118 54.196 56.287 0.045 0.000 0.919 11 K CB 0.442 32.939 32.500 -0.005 0.000 1.045 11 K HN 0.265 nan 8.250 nan 0.000 0.471 12 P HA -0.201 nan 4.420 nan 0.000 0.216 12 P C 0.931 177.947 177.300 -0.473 0.000 1.153 12 P CA 1.767 64.254 63.100 -1.022 0.000 0.858 12 P CB 0.130 31.327 31.700 -0.838 0.000 0.789 13 R N -0.617 119.725 120.500 -0.262 0.000 2.148 13 R HA -0.099 4.241 4.340 0.001 0.000 0.227 13 R C 1.310 177.547 176.300 -0.105 0.000 1.103 13 R CA 1.593 57.604 56.100 -0.149 0.000 0.983 13 R CB -1.379 28.865 30.300 -0.092 0.000 0.874 13 R HN 0.101 nan 8.270 nan 0.000 0.451 14 D N 1.676 122.020 120.400 -0.093 0.000 2.221 14 D HA -0.082 4.558 4.640 0.001 0.000 0.204 14 D C 0.678 176.956 176.300 -0.036 0.000 0.982 14 D CA 1.397 55.372 54.000 -0.041 0.000 0.857 14 D CB 0.061 40.858 40.800 -0.004 0.000 0.934 14 D HN 0.440 nan 8.370 nan 0.000 0.475 15 I N -2.840 117.691 120.570 -0.065 0.000 2.588 15 I HA 0.282 4.452 4.170 0.001 0.000 0.278 15 I C -3.040 173.036 176.117 -0.070 0.000 1.144 15 I CA -2.289 58.986 61.300 -0.041 0.000 1.074 15 I CB 1.009 39.011 38.000 0.004 0.000 1.235 15 I HN -0.319 nan 8.210 nan 0.000 0.472 16 P HA 0.140 nan 4.420 nan 0.000 0.261 16 P C -0.305 176.984 177.300 -0.019 0.000 1.173 16 P CA 0.315 63.383 63.100 -0.053 0.000 0.760 16 P CB 0.635 32.315 31.700 -0.033 0.000 0.783 17 M N -0.097 119.503 119.600 0.000 0.000 4.012 17 M HA 0.311 4.791 4.480 0.001 0.000 0.458 17 M C -1.207 175.164 176.300 0.119 0.000 2.038 17 M CA -0.685 54.669 55.300 0.092 0.000 0.479 17 M CB -0.078 32.681 32.600 0.265 0.000 1.517 17 M HN -0.107 nan 8.290 nan 0.000 0.525 18 N N 3.681 122.408 118.700 0.045 0.000 2.458 18 N HA 0.506 5.247 4.740 0.001 0.000 0.270 18 N C -2.303 173.212 175.510 0.009 0.000 1.102 18 N CA -0.674 52.402 53.050 0.044 0.000 0.967 18 N CB 0.577 39.077 38.487 0.022 0.000 1.078 18 N HN 0.399 nan 8.380 nan 0.000 0.471 19 P HA 0.048 nan 4.420 nan 0.000 0.274 19 P C 0.587 177.887 177.300 -0.000 0.000 1.256 19 P CA -0.487 62.594 63.100 -0.031 0.000 0.795 19 P CB 1.048 32.736 31.700 -0.020 0.000 1.038 20 M N 0.385 119.984 119.600 -0.003 0.000 2.074 20 M HA -0.052 4.428 4.480 0.001 0.000 0.259 20 M C 0.395 176.703 176.300 0.013 0.000 1.079 20 M CA 1.870 57.172 55.300 0.003 0.000 1.119 20 M CB -0.306 32.291 32.600 -0.005 0.000 1.297 20 M HN 0.276 nan 8.290 nan 0.000 0.416 21 c N 0.775 119.386 118.600 0.018 0.000 2.335 21 c HA 0.634 5.205 4.570 0.001 0.000 0.363 21 c C 0.351 174.476 174.090 0.058 0.000 1.198 21 c CA -1.211 55.140 56.329 0.036 0.000 2.279 21 c CB 0.577 43.110 42.510 0.039 0.000 2.334 21 c HN 0.569 nan 8.230 nan 0.000 0.559 22 I N -0.442 120.175 120.570 0.078 0.000 3.108 22 I HA 0.770 4.940 4.170 0.001 0.000 0.312 22 I C -1.377 174.843 176.117 0.172 0.000 1.095 22 I CA -0.843 60.521 61.300 0.107 0.000 1.000 22 I CB 1.978 40.021 38.000 0.072 0.000 1.229 22 I HN 0.669 nan 8.210 nan 0.000 0.454 23 Y N 2.231 122.554 120.300 0.038 0.000 2.441 23 Y HA 0.693 5.243 4.550 0.000 0.000 0.334 23 Y C -1.501 174.424 175.900 0.042 0.000 1.061 23 Y CA -0.614 57.511 58.100 0.042 0.000 1.032 23 Y CB 1.458 39.951 38.460 0.054 0.000 1.266 23 Y HN 0.784 nan 8.280 nan 0.000 0.441 24 R N 3.431 123.530 120.500 -0.669 0.000 2.643 24 R HA 0.821 5.161 4.340 0.001 0.000 0.269 24 R C -1.651 174.280 176.300 -0.614 0.000 1.037 24 R CA -0.757 55.046 56.100 -0.494 0.000 0.894 24 R CB 1.761 31.951 30.300 -0.183 0.000 1.238 24 R HN 0.776 nan 8.270 nan 0.000 0.459 40 I N 4.020 124.362 120.570 -0.380 0.000 2.624 40 I HA 0.233 4.403 4.170 0.001 0.000 0.293 40 I C -2.643 173.160 176.117 -0.524 0.000 1.774 40 I CA -1.087 59.676 61.300 -0.896 0.000 1.013 40 I CB 1.693 39.019 38.000 -1.124 0.000 1.557 40 I HN 0.647 nan 8.210 nan 0.000 0.509 41 P HA 0.261 nan 4.420 nan 0.000 0.273 41 P C -1.157 176.016 177.300 -0.213 0.000 1.250 41 P CA -0.116 62.828 63.100 -0.259 0.000 0.793 41 P CB 0.497 32.083 31.700 -0.189 0.000 1.011 42 E N -0.363 119.764 120.200 -0.122 0.000 2.313 42 E HA 0.349 4.700 4.350 0.001 0.000 0.272 42 E C 0.278 176.838 176.600 -0.067 0.000 1.038 42 E CA -0.385 55.961 56.400 -0.090 0.000 0.863 42 E CB 0.432 30.098 29.700 -0.058 0.000 1.060 42 E HN 0.622 nan 8.360 nan 0.000 0.402 43 A N 2.340 125.128 122.820 -0.054 0.000 2.415 43 A HA -0.178 4.142 4.320 0.001 0.000 0.292 43 A C -0.066 177.505 177.584 -0.023 0.000 1.452 43 A CA 1.331 53.350 52.037 -0.030 0.000 0.750 43 A CB -1.886 17.105 19.000 -0.015 0.000 1.099 43 A HN 0.379 nan 8.150 nan 0.000 0.391 44 T N 1.096 115.626 114.554 -0.039 0.000 2.893 44 T HA 0.439 4.790 4.350 0.001 0.000 0.293 44 T C -0.113 174.594 174.700 0.010 0.000 1.027 44 T CA -0.652 61.438 62.100 -0.015 0.000 0.988 44 T CB 1.229 70.065 68.868 -0.054 0.000 1.043 44 T HN 0.551 nan 8.240 nan 0.000 0.461 45 N N 2.010 120.747 118.700 0.063 0.000 2.420 45 N HA 0.039 4.779 4.740 0.001 0.000 0.262 45 N C 1.560 177.140 175.510 0.117 0.000 1.144 45 N CA -0.387 52.719 53.050 0.093 0.000 0.952 45 N CB 0.808 39.378 38.487 0.140 0.000 1.081 45 N HN 0.671 nan 8.380 nan 0.000 0.480 46 R N 4.218 124.786 120.500 0.113 0.000 2.134 46 R HA -0.194 4.146 4.340 0.001 0.000 0.248 46 R C 1.426 177.805 176.300 0.132 0.000 1.143 46 R CA 1.383 57.612 56.100 0.214 0.000 0.957 46 R CB -0.310 30.085 30.300 0.159 0.000 0.867 46 R HN 0.508 nan 8.270 nan 0.000 0.441 47 R N 0.723 121.177 120.500 -0.076 0.000 2.120 47 R HA -0.045 4.295 4.340 0.001 0.000 0.234 47 R C 2.339 178.423 176.300 -0.360 0.000 1.123 47 R CA 1.455 57.318 56.100 -0.394 0.000 0.975 47 R CB -0.294 29.444 30.300 -0.937 0.000 0.866 47 R HN 0.142 nan 8.270 nan 0.000 0.446 48 V N -0.169 119.681 119.914 -0.106 0.000 2.323 48 V HA -0.203 3.917 4.120 0.001 0.000 0.244 48 V C 1.930 178.039 176.094 0.026 0.000 1.041 48 V CA 1.490 63.783 62.300 -0.012 0.000 1.025 48 V CB -0.563 31.317 31.823 0.095 0.000 0.656 48 V HN 0.461 nan 8.190 nan 0.000 0.451 49 W N 2.262 123.513 121.300 -0.082 0.000 2.318 49 W HA -0.283 4.377 4.660 0.000 0.000 0.313 49 W C 2.513 178.993 176.519 -0.065 0.000 1.221 49 W CA 2.345 59.656 57.345 -0.057 0.000 1.266 49 W CB -0.444 28.992 29.460 -0.041 0.000 1.150 49 W HN 0.571 nan 8.180 nan 0.000 0.496 50 E N -0.162 119.837 120.200 -0.336 0.000 2.204 50 E HA -0.247 4.103 4.350 0.001 0.000 0.195 50 E C 2.056 178.466 176.600 -0.317 0.000 0.990 50 E CA 1.523 57.609 56.400 -0.523 0.000 0.821 50 E CB -0.921 28.553 29.700 -0.376 0.000 0.750 50 E HN 0.413 nan 8.360 nan 0.000 0.477 51 L N 1.111 122.191 121.223 -0.239 0.000 2.131 51 L HA -0.034 4.307 4.340 0.001 0.000 0.206 51 L C 2.513 179.295 176.870 -0.147 0.000 1.087 51 L CA 1.721 56.437 54.840 -0.208 0.000 0.767 51 L CB -0.438 41.432 42.059 -0.316 0.000 0.917 51 L HN 0.196 nan 8.230 nan 0.000 0.441 52 S N -0.732 114.893 115.700 -0.125 0.000 2.382 52 S HA -0.197 4.273 4.470 0.001 0.000 0.228 52 S C 2.043 176.618 174.600 -0.042 0.000 1.027 52 S CA 1.341 59.515 58.200 -0.043 0.000 0.991 52 S CB -0.200 63.018 63.200 0.031 0.000 0.823 52 S HN 0.503 nan 8.310 nan 0.000 0.469 53 K N 0.879 121.189 120.400 -0.152 0.000 2.097 53 K HA -0.004 4.317 4.320 0.001 0.000 0.206 53 K C 2.414 178.978 176.600 -0.060 0.000 1.049 53 K CA 1.119 57.316 56.287 -0.150 0.000 0.933 53 K CB -0.393 31.904 32.500 -0.338 0.000 0.717 53 K HN 0.448 nan 8.250 nan 0.000 0.442 54 A N 2.231 125.030 122.820 -0.036 0.000 1.877 54 A HA -0.256 4.064 4.320 0.001 0.000 0.216 54 A C 1.982 179.651 177.584 0.141 0.000 1.186 54 A CA 2.057 54.131 52.037 0.062 0.000 0.620 54 A CB -0.799 18.281 19.000 0.133 0.000 0.822 54 A HN 0.420 nan 8.150 nan 0.000 0.443 55 N N 0.181 118.985 118.700 0.175 0.000 2.104 55 N HA -0.153 4.588 4.740 0.001 0.000 0.190 55 N C 1.743 177.387 175.510 0.224 0.000 1.024 55 N CA 2.278 55.487 53.050 0.265 0.000 0.853 55 N CB -0.341 38.297 38.487 0.251 0.000 1.008 55 N HN 0.322 nan 8.380 nan 0.000 0.424 56 S N 0.149 115.925 115.700 0.126 0.000 2.359 56 S HA -0.118 4.352 4.470 0.001 0.000 0.224 56 S C 1.878 176.521 174.600 0.073 0.000 1.035 56 S CA 1.040 59.291 58.200 0.085 0.000 1.018 56 S CB -0.338 62.885 63.200 0.038 0.000 0.876 56 S HN 0.398 nan 8.310 nan 0.000 0.448 57 R N 0.011 120.552 120.500 0.069 0.000 2.094 57 R HA -0.132 4.208 4.340 0.001 0.000 0.239 57 R C 2.161 178.511 176.300 0.082 0.000 1.137 57 R CA 1.833 57.966 56.100 0.055 0.000 0.943 57 R CB -0.630 29.698 30.300 0.047 0.000 0.850 57 R HN 0.467 nan 8.270 nan 0.000 0.433 58 F N 1.535 121.481 119.950 -0.008 0.000 2.126 58 F HA -0.173 4.354 4.527 0.001 0.000 0.299 58 F C 2.225 178.051 175.800 0.044 0.000 1.096 58 F CA 1.196 59.176 58.000 -0.033 0.000 1.255 58 F CB -0.541 38.411 39.000 -0.081 0.000 0.997 58 F HN 0.008 nan 8.300 nan 0.000 0.479 59 A N 0.251 122.991 122.820 -0.134 0.000 1.892 59 A HA -0.290 4.030 4.320 0.001 0.000 0.218 59 A C 2.329 179.887 177.584 -0.043 0.000 1.188 59 A CA 3.134 55.092 52.037 -0.132 0.000 0.631 59 A CB -1.741 17.299 19.000 0.066 0.000 0.822 59 A HN 0.585 nan 8.150 nan 0.000 0.447 60 T N -3.071 111.487 114.554 0.006 0.000 2.708 60 T HA -0.146 4.204 4.350 0.001 0.000 0.266 60 T C 1.832 176.562 174.700 0.049 0.000 1.037 60 T CA 2.124 64.262 62.100 0.063 0.000 1.146 60 T CB -1.204 67.683 68.868 0.031 0.000 0.865 60 T HN 0.369 nan 8.240 nan 0.000 0.435 61 T N 1.328 115.858 114.554 -0.039 0.000 2.708 61 T HA 0.011 4.362 4.350 0.001 0.000 0.266 61 T C 1.414 176.067 174.700 -0.079 0.000 1.037 61 T CA 1.360 63.430 62.100 -0.049 0.000 1.146 61 T CB -0.703 68.133 68.868 -0.053 0.000 0.865 61 T HN 0.389 nan 8.240 nan 0.000 0.435 62 F N 0.546 120.244 119.950 -0.421 0.000 2.134 62 F HA -0.086 4.442 4.527 0.001 0.000 0.299 62 F C 2.203 177.891 175.800 -0.185 0.000 1.097 62 F CA 0.938 58.684 58.000 -0.423 0.000 1.264 62 F CB -0.384 38.119 39.000 -0.828 0.000 1.001 62 F HN 0.155 nan 8.300 nan 0.000 0.479 63 Y N 1.077 121.379 120.300 0.003 0.000 2.145 63 Y HA -0.259 4.291 4.550 0.000 0.000 0.286 63 Y C 2.531 178.400 175.900 -0.051 0.000 1.145 63 Y CA 2.160 60.265 58.100 0.008 0.000 1.148 63 Y CB -0.700 37.786 38.460 0.044 0.000 0.981 63 Y HN 0.137 nan 8.280 nan 0.000 0.507 64 Q N -1.123 118.732 119.800 0.091 0.000 2.135 64 Q HA -0.286 4.054 4.340 0.001 0.000 0.204 64 Q C 2.180 178.100 176.000 -0.135 0.000 0.981 64 Q CA 1.612 57.420 55.803 0.009 0.000 0.856 64 Q CB -0.440 28.327 28.738 0.049 0.000 0.902 64 Q HN 0.584 nan 8.270 nan 0.000 0.425 65 H N 0.699 119.612 119.070 -0.262 0.000 2.326 65 H HA -0.103 4.453 4.556 0.001 0.000 0.301 65 H C 2.074 177.165 175.328 -0.395 0.000 1.081 65 H CA 1.351 57.210 56.048 -0.315 0.000 1.334 65 H CB -0.077 29.459 29.762 -0.375 0.000 1.385 65 H HN 0.204 nan 8.280 nan 0.000 0.504 66 L N 1.053 122.086 121.223 -0.317 0.000 1.976 66 L HA -0.081 4.260 4.340 0.001 0.000 0.209 66 L C 2.747 179.382 176.870 -0.391 0.000 1.071 66 L CA 2.375 56.969 54.840 -0.409 0.000 0.746 66 L CB -1.305 40.442 42.059 -0.520 0.000 0.890 66 L HN 0.264 nan 8.230 nan 0.000 0.432 67 A N -0.819 121.673 122.820 -0.547 0.000 1.917 67 A HA -0.356 3.964 4.320 0.001 0.000 0.219 67 A C 2.120 179.551 177.584 -0.254 0.000 1.182 67 A CA 2.286 54.049 52.037 -0.457 0.000 0.633 67 A CB -1.298 17.366 19.000 -0.559 0.000 0.819 67 A HN 0.657 nan 8.150 nan 0.000 0.448 68 D N -0.462 119.801 120.400 -0.229 0.000 2.263 68 D HA -0.098 4.542 4.640 0.001 0.000 0.208 68 D C 1.827 178.026 176.300 -0.168 0.000 0.971 68 D CA 1.396 55.289 54.000 -0.178 0.000 0.867 68 D CB 0.023 40.700 40.800 -0.205 0.000 0.929 68 D HN 0.527 nan 8.370 nan 0.000 0.492 69 S N -1.540 114.053 115.700 -0.177 0.000 2.577 69 S HA 0.210 4.680 4.470 0.001 0.000 0.219 69 S C 0.471 174.996 174.600 -0.124 0.000 0.962 69 S CA -0.460 57.657 58.200 -0.138 0.000 0.921 69 S CB 0.298 63.433 63.200 -0.110 0.000 0.789 69 S HN 0.049 nan 8.310 nan 0.000 0.497 70 K N 1.113 121.432 120.400 -0.135 0.000 2.331 70 K HA 0.370 4.690 4.320 0.001 0.000 0.238 70 K C -0.798 175.750 176.600 -0.087 0.000 1.058 70 K CA -0.983 55.235 56.287 -0.116 0.000 0.871 70 K CB 0.622 33.033 32.500 -0.147 0.000 1.292 70 K HN 0.029 nan 8.250 nan 0.000 0.470 71 N N 1.184 119.843 118.700 -0.069 0.000 2.518 71 N HA -0.008 4.733 4.740 0.001 0.000 0.283 71 N C -0.257 175.227 175.510 -0.045 0.000 1.119 71 N CA 0.075 53.096 53.050 -0.049 0.000 0.983 71 N CB 1.125 39.590 38.487 -0.037 0.000 1.139 71 N HN 0.452 nan 8.380 nan 0.000 0.465 72 D N 1.583 121.965 120.400 -0.030 0.000 2.228 72 D HA -0.134 4.507 4.640 0.001 0.000 0.203 72 D C 0.636 176.932 176.300 -0.007 0.000 0.988 72 D CA 1.219 55.209 54.000 -0.016 0.000 0.864 72 D CB 0.103 40.902 40.800 -0.002 0.000 0.928 72 D HN 0.565 nan 8.370 nan 0.000 0.469 73 N N 1.019 119.714 118.700 -0.009 0.000 2.398 73 N HA -0.027 4.713 4.740 0.001 0.000 0.188 73 N C -0.284 175.207 175.510 -0.032 0.000 1.122 73 N CA 0.292 53.339 53.050 -0.005 0.000 0.866 73 N CB 0.477 38.965 38.487 0.002 0.000 0.970 73 N HN 0.198 nan 8.380 nan 0.000 0.462 74 D N 0.789 121.163 120.400 -0.044 0.000 2.229 74 D HA 0.224 4.864 4.640 0.001 0.000 0.249 74 D C 0.186 176.443 176.300 -0.071 0.000 1.027 74 D CA -0.185 53.781 54.000 -0.057 0.000 0.923 74 D CB 0.876 41.641 40.800 -0.058 0.000 1.174 74 D HN -0.107 nan 8.370 nan 0.000 0.443 75 N N 0.305 118.958 118.700 -0.078 0.000 2.463 75 N HA 0.513 5.253 4.740 0.001 0.000 0.270 75 N C -0.301 175.192 175.510 -0.027 0.000 1.205 75 N CA -0.196 52.802 53.050 -0.087 0.000 0.974 75 N CB 1.112 39.533 38.487 -0.110 0.000 1.197 75 N HN 0.317 nan 8.380 nan 0.000 0.504 76 I N 0.190 120.777 120.570 0.029 0.000 2.894 76 I HA 0.479 4.649 4.170 0.001 0.000 0.302 76 I C -1.495 174.802 176.117 0.301 0.000 1.188 76 I CA -0.788 60.579 61.300 0.112 0.000 1.014 76 I CB 2.307 40.357 38.000 0.085 0.000 1.242 76 I HN 0.286 nan 8.210 nan 0.000 0.430 77 F N 6.694 126.742 119.950 0.163 0.000 2.683 77 F HA 0.637 5.164 4.527 0.000 0.000 0.333 77 F C -1.772 174.279 175.800 0.419 0.000 1.160 77 F CA -0.586 57.562 58.000 0.247 0.000 1.099 77 F CB 1.172 40.278 39.000 0.175 0.000 1.344 77 F HN 0.349 nan 8.300 nan 0.000 0.534 78 L N 2.161 123.314 121.223 -0.118 0.000 2.669 78 L HA 0.943 5.284 4.340 0.001 0.000 0.255 78 L C -1.303 175.564 176.870 -0.006 0.000 1.123 78 L CA -1.021 53.912 54.840 0.155 0.000 0.941 78 L CB 2.148 44.442 42.059 0.392 0.000 1.552 78 L HN 0.517 nan 8.230 nan 0.000 0.394 79 S N -1.507 114.238 115.700 0.075 0.000 2.652 79 S HA 0.483 4.954 4.470 0.001 0.000 0.252 79 S C -2.167 172.370 174.600 -0.105 0.000 1.219 79 S CA -0.996 57.127 58.200 -0.128 0.000 1.151 79 S CB 1.218 64.234 63.200 -0.308 0.000 1.080 79 S HN 0.650 nan 8.310 nan 0.000 0.481 80 P HA -0.149 nan 4.420 nan 0.000 0.218 80 P C 1.437 178.829 177.300 0.152 0.000 1.146 80 P CA 0.534 63.662 63.100 0.047 0.000 0.813 80 P CB 0.231 31.980 31.700 0.082 0.000 0.778 81 L N -0.522 120.749 121.223 0.081 0.000 2.056 81 L HA -0.116 4.224 4.340 0.001 0.000 0.207 81 L C 2.525 179.473 176.870 0.131 0.000 1.078 81 L CA 1.502 56.425 54.840 0.139 0.000 0.749 81 L CB -0.545 41.544 42.059 0.049 0.000 0.901 81 L HN 0.006 nan 8.230 nan 0.000 0.433 82 S N 0.198 115.928 115.700 0.050 0.000 2.348 82 S HA -0.164 4.306 4.470 0.001 0.000 0.221 82 S C 1.864 176.520 174.600 0.093 0.000 1.033 82 S CA 1.376 59.626 58.200 0.084 0.000 1.010 82 S CB -0.270 63.022 63.200 0.153 0.000 0.891 82 S HN 0.323 nan 8.310 nan 0.000 0.442 83 I N 1.558 122.161 120.570 0.054 0.000 2.151 83 I HA -0.236 3.934 4.170 0.001 0.000 0.243 83 I C 2.477 178.708 176.117 0.190 0.000 1.080 83 I CA 1.103 62.482 61.300 0.132 0.000 1.339 83 I CB -0.573 37.430 38.000 0.006 0.000 1.039 83 I HN 0.221 nan 8.210 nan 0.000 0.409 84 S N 0.187 115.977 115.700 0.149 0.000 2.356 84 S HA -0.180 4.290 4.470 0.001 0.000 0.223 84 S C 2.059 176.535 174.600 -0.207 0.000 1.032 84 S CA 2.059 60.303 58.200 0.073 0.000 1.005 84 S CB -0.461 62.967 63.200 0.380 0.000 0.867 84 S HN 0.478 nan 8.310 nan 0.000 0.449 85 T N 2.419 116.814 114.554 -0.265 0.000 2.788 85 T HA -0.038 4.313 4.350 0.001 0.000 0.268 85 T C 2.118 176.544 174.700 -0.457 0.000 1.044 85 T CA 1.148 62.856 62.100 -0.654 0.000 1.139 85 T CB -0.524 68.267 68.868 -0.128 0.000 0.867 85 T HN 0.456 nan 8.240 nan 0.000 0.454 86 A N 1.302 123.988 122.820 -0.225 0.000 1.865 86 A HA -0.041 4.280 4.320 0.001 0.000 0.217 86 A C 1.860 179.079 177.584 -0.608 0.000 1.191 86 A CA 1.463 53.295 52.037 -0.342 0.000 0.623 86 A CB -1.061 17.798 19.000 -0.235 0.000 0.826 86 A HN 0.501 nan 8.150 nan 0.000 0.444 87 F N -0.010 119.649 119.950 -0.485 0.000 2.699 87 F HA 0.129 4.656 4.527 0.001 0.000 0.298 87 F C 2.496 178.002 175.800 -0.490 0.000 1.154 87 F CA 0.468 58.122 58.000 -0.576 0.000 1.457 87 F CB -0.232 38.149 39.000 -1.033 0.000 1.106 87 F HN 0.262 nan 8.300 nan 0.000 0.585 88 A N -0.232 122.332 122.820 -0.428 0.000 1.968 88 A HA -0.110 4.210 4.320 0.001 0.000 0.217 88 A C 2.258 179.623 177.584 -0.365 0.000 1.169 88 A CA 1.037 52.802 52.037 -0.454 0.000 0.638 88 A CB -0.373 18.083 19.000 -0.906 0.000 0.812 88 A HN 0.126 nan 8.150 nan 0.000 0.446 89 M N 0.545 119.859 119.600 -0.477 0.000 2.086 89 M HA -0.126 4.354 4.480 0.001 0.000 0.261 89 M C 2.406 178.575 176.300 -0.218 0.000 1.067 89 M CA 2.304 57.344 55.300 -0.433 0.000 1.116 89 M CB -2.008 30.162 32.600 -0.718 0.000 1.348 89 M HN 0.682 nan 8.290 nan 0.000 0.407 90 T N -1.711 112.677 114.554 -0.277 0.000 2.867 90 T HA -0.117 4.233 4.350 0.001 0.000 0.268 90 T C 1.890 176.511 174.700 -0.132 0.000 1.057 90 T CA 1.044 63.021 62.100 -0.205 0.000 1.136 90 T CB -0.244 68.469 68.868 -0.258 0.000 0.874 90 T HN 0.195 nan 8.240 nan 0.000 0.466 91 K N 1.145 121.469 120.400 -0.126 0.000 2.063 91 K HA -0.072 4.248 4.320 0.001 0.000 0.208 91 K C 2.199 178.763 176.600 -0.060 0.000 1.048 91 K CA 1.167 57.411 56.287 -0.071 0.000 0.928 91 K CB -0.795 31.664 32.500 -0.068 0.000 0.713 91 K HN 0.414 nan 8.250 nan 0.000 0.442 92 L N 0.453 121.631 121.223 -0.074 0.000 2.351 92 L HA -0.093 4.247 4.340 0.001 0.000 0.220 92 L C 1.542 178.409 176.870 -0.006 0.000 1.127 92 L CA 2.171 56.965 54.840 -0.077 0.000 0.786 92 L CB -0.513 41.457 42.059 -0.149 0.000 0.914 92 L HN 0.318 nan 8.230 nan 0.000 0.443 93 G N -2.240 106.545 108.800 -0.026 0.000 3.651 93 G HA2 0.474 4.434 3.960 0.001 0.000 0.267 93 G HA3 0.474 4.434 3.960 0.001 0.000 0.267 93 G C 0.320 175.166 174.900 -0.091 0.000 1.009 93 G CA 0.310 45.358 45.100 -0.087 0.000 0.866 93 G HN 0.547 nan 8.290 nan 0.000 0.488 94 A N -0.491 122.289 122.820 -0.067 0.000 2.304 94 A HA 0.739 5.059 4.320 0.001 0.000 0.271 94 A C -0.160 177.411 177.584 -0.022 0.000 1.091 94 A CA -0.133 51.873 52.037 -0.053 0.000 0.812 94 A CB 0.794 19.763 19.000 -0.052 0.000 1.056 94 A HN 0.372 nan 8.150 nan 0.000 0.489 95 c N -0.024 118.567 118.600 -0.014 0.000 3.318 95 c HA 0.616 5.187 4.570 0.001 0.000 0.329 95 c C 1.000 175.100 174.090 0.017 0.000 1.449 95 c CA -0.247 56.088 56.329 0.009 0.000 1.397 95 c CB 1.190 43.703 42.510 0.004 0.000 1.810 95 c HN 1.254 nan 8.230 nan 0.000 0.449 96 N N 0.632 119.353 118.700 0.036 0.000 1.149 96 N HA -0.230 4.511 4.740 0.001 0.000 0.118 96 N C 0.300 175.837 175.510 0.046 0.000 0.756 96 N CA 2.108 55.183 53.050 0.042 0.000 0.861 96 N CB -0.887 37.615 38.487 0.025 0.000 1.099 96 N HN 0.875 nan 8.380 nan 0.000 0.597 97 D N -0.187 120.232 120.400 0.033 0.000 2.219 97 D HA -0.022 4.618 4.640 0.001 0.000 0.205 97 D C 1.650 177.953 176.300 0.004 0.000 0.970 97 D CA 1.717 55.733 54.000 0.028 0.000 0.851 97 D CB -0.644 40.172 40.800 0.026 0.000 0.943 97 D HN 0.492 nan 8.370 nan 0.000 0.488 98 T N 1.342 115.894 114.554 -0.003 0.000 2.684 98 T HA -0.161 4.189 4.350 0.001 0.000 0.267 98 T C 1.902 176.582 174.700 -0.033 0.000 1.036 98 T CA 0.618 62.705 62.100 -0.021 0.000 1.148 98 T CB -0.311 68.539 68.868 -0.031 0.000 0.863 98 T HN 0.059 nan 8.240 nan 0.000 0.436 99 L N 1.088 122.293 121.223 -0.029 0.000 2.046 99 L HA -0.045 4.296 4.340 0.001 0.000 0.208 99 L C 2.575 179.339 176.870 -0.176 0.000 1.077 99 L CA 1.835 56.643 54.840 -0.053 0.000 0.747 99 L CB -0.851 41.210 42.059 0.004 0.000 0.896 99 L HN 0.258 nan 8.230 nan 0.000 0.432 100 Q N -1.122 118.574 119.800 -0.173 0.000 2.050 100 Q HA -0.256 4.085 4.340 0.001 0.000 0.202 100 Q C 2.211 178.076 176.000 -0.225 0.000 0.980 100 Q CA 1.990 57.591 55.803 -0.337 0.000 0.840 100 Q CB -0.116 28.608 28.738 -0.022 0.000 0.898 100 Q HN 0.662 nan 8.270 nan 0.000 0.424 101 Q N 0.084 119.831 119.800 -0.089 0.000 2.084 101 Q HA -0.156 4.184 4.340 0.001 0.000 0.202 101 Q C 2.268 178.253 176.000 -0.025 0.000 0.978 101 Q CA 1.388 57.167 55.803 -0.040 0.000 0.844 101 Q CB -0.092 28.645 28.738 -0.002 0.000 0.898 101 Q HN 0.417 nan 8.270 nan 0.000 0.426 102 L N -0.091 121.127 121.223 -0.009 0.000 2.012 102 L HA -0.229 4.112 4.340 0.001 0.000 0.210 102 L C 2.459 179.392 176.870 0.104 0.000 1.073 102 L CA 0.846 55.737 54.840 0.084 0.000 0.748 102 L CB -0.302 41.790 42.059 0.054 0.000 0.891 102 L HN 0.380 nan 8.230 nan 0.000 0.431 103 M N -0.704 118.884 119.600 -0.020 0.000 2.117 103 M HA -0.209 4.272 4.480 0.001 0.000 0.262 103 M C 2.090 178.374 176.300 -0.028 0.000 1.065 103 M CA 1.721 57.025 55.300 0.007 0.000 1.114 103 M CB -1.096 31.300 32.600 -0.340 0.000 1.361 103 M HN 0.278 nan 8.290 nan 0.000 0.408 104 E N -0.280 119.865 120.200 -0.092 0.000 2.028 104 E HA -0.115 4.235 4.350 0.001 0.000 0.190 104 E C 2.173 178.725 176.600 -0.080 0.000 0.984 104 E CA 1.122 57.493 56.400 -0.049 0.000 0.800 104 E CB -0.153 29.527 29.700 -0.032 0.000 0.758 104 E HN 0.203 nan 8.360 nan 0.000 0.448 105 V N 0.820 120.668 119.914 -0.111 0.000 2.282 105 V HA -0.250 3.870 4.120 0.001 0.000 0.249 105 V C 1.661 177.468 176.094 -0.478 0.000 1.057 105 V CA 1.722 63.876 62.300 -0.243 0.000 1.032 105 V CB -0.457 31.191 31.823 -0.291 0.000 0.645 105 V HN 0.213 nan 8.190 nan 0.000 0.447 106 F N 0.303 119.912 119.950 -0.568 0.000 2.731 106 F HA 0.240 4.767 4.527 0.001 0.000 0.304 106 F C 1.186 176.492 175.800 -0.825 0.000 1.133 106 F CA -0.279 57.064 58.000 -1.095 0.000 1.380 106 F CB -0.236 37.669 39.000 -1.824 0.000 1.079 106 F HN 0.035 nan 8.300 nan 0.000 0.550 107 K N -1.614 118.636 120.400 -0.251 0.000 3.130 107 K HA -0.255 4.065 4.320 0.001 0.000 0.282 107 K C 0.660 177.302 176.600 0.070 0.000 1.145 107 K CA 0.600 56.856 56.287 -0.051 0.000 0.831 107 K CB -2.819 29.694 32.500 0.021 0.000 1.226 107 K HN 0.285 nan 8.250 nan 0.000 0.478 108 F N 1.652 121.653 119.950 0.085 0.000 2.259 108 F HA -0.083 4.445 4.527 0.001 0.000 0.298 108 F C 2.191 178.040 175.800 0.081 0.000 1.088 108 F CA 1.408 59.457 58.000 0.081 0.000 1.358 108 F CB -0.584 38.468 39.000 0.086 0.000 1.040 108 F HN 0.206 nan 8.300 nan 0.000 0.505 109 D N -0.593 119.973 120.400 0.275 0.000 2.354 109 D HA -0.176 4.464 4.640 0.001 0.000 0.216 109 D C 1.610 178.030 176.300 0.200 0.000 0.970 109 D CA 1.541 55.710 54.000 0.282 0.000 0.905 109 D CB -1.562 39.422 40.800 0.308 0.000 0.903 109 D HN 0.377 nan 8.370 nan 0.000 0.508 110 T N -1.671 112.968 114.554 0.141 0.000 3.081 110 T HA 0.104 4.454 4.350 0.001 0.000 0.255 110 T C 1.422 176.145 174.700 0.039 0.000 1.113 110 T CA -0.208 61.937 62.100 0.075 0.000 1.082 110 T CB -0.627 68.267 68.868 0.043 0.000 0.939 110 T HN 0.459 nan 8.240 nan 0.000 0.506 111 I N 1.092 121.696 120.570 0.056 0.000 3.211 111 I HA 0.503 4.673 4.170 0.001 0.000 0.297 111 I C 0.521 176.636 176.117 -0.003 0.000 1.095 111 I CA -1.173 60.125 61.300 -0.004 0.000 1.239 111 I CB 0.522 38.512 38.000 -0.017 0.000 1.455 111 I HN 0.104 nan 8.210 nan 0.000 0.630 112 S N 1.584 117.258 115.700 -0.044 0.000 2.593 112 S HA 0.138 4.608 4.470 0.001 0.000 0.269 112 S C 0.853 175.449 174.600 -0.006 0.000 1.334 112 S CA -0.562 57.620 58.200 -0.031 0.000 1.015 112 S CB 1.208 64.375 63.200 -0.055 0.000 0.912 112 S HN 0.736 nan 8.310 nan 0.000 0.541 113 E N 1.771 121.975 120.200 0.008 0.000 2.026 113 E HA -0.256 4.094 4.350 0.001 0.000 0.206 113 E C 1.860 178.488 176.600 0.046 0.000 1.028 113 E CA 1.706 58.123 56.400 0.027 0.000 0.845 113 E CB -0.625 29.086 29.700 0.019 0.000 0.772 113 E HN 0.844 nan 8.360 nan 0.000 0.462 114 K N 0.322 120.748 120.400 0.044 0.000 2.044 114 K HA -0.162 4.158 4.320 0.001 0.000 0.210 114 K C 2.259 178.953 176.600 0.158 0.000 1.049 114 K CA 2.133 58.475 56.287 0.091 0.000 0.927 114 K CB -0.183 32.371 32.500 0.090 0.000 0.713 114 K HN 0.080 nan 8.250 nan 0.000 0.443 115 T N 0.196 114.764 114.554 0.024 0.000 2.720 115 T HA -0.174 4.176 4.350 0.001 0.000 0.268 115 T C 1.980 176.740 174.700 0.099 0.000 1.037 115 T CA 1.606 63.657 62.100 -0.081 0.000 1.144 115 T CB -0.419 68.225 68.868 -0.372 0.000 0.864 115 T HN 0.314 nan 8.240 nan 0.000 0.444 116 S N 1.051 116.787 115.700 0.060 0.000 2.351 116 S HA -0.201 4.270 4.470 0.001 0.000 0.220 116 S C 1.849 176.525 174.600 0.126 0.000 1.035 116 S CA 1.652 59.901 58.200 0.082 0.000 1.031 116 S CB -0.693 62.567 63.200 0.101 0.000 0.928 116 S HN 0.418 nan 8.310 nan 0.000 0.433 117 D N 0.653 121.135 120.400 0.137 0.000 2.123 117 D HA -0.066 4.574 4.640 0.001 0.000 0.196 117 D C 1.546 177.979 176.300 0.222 0.000 0.992 117 D CA 0.977 55.071 54.000 0.156 0.000 0.833 117 D CB -0.281 40.590 40.800 0.118 0.000 0.954 117 D HN 0.442 nan 8.370 nan 0.000 0.455 118 Q N 0.224 120.142 119.800 0.196 0.000 2.212 118 Q HA 0.167 4.508 4.340 0.001 0.000 0.213 118 Q C 1.862 177.922 176.000 0.100 0.000 0.874 118 Q CA -0.317 55.502 55.803 0.027 0.000 0.965 118 Q CB 0.608 29.306 28.738 -0.067 0.000 1.074 118 Q HN 0.424 nan 8.270 nan 0.000 0.473 119 I N 0.913 121.620 120.570 0.229 0.000 2.248 119 I HA -0.379 3.791 4.170 0.001 0.000 0.248 119 I C 2.154 178.447 176.117 0.294 0.000 1.107 119 I CA 1.704 63.135 61.300 0.219 0.000 1.373 119 I CB 0.149 38.164 38.000 0.025 0.000 1.055 119 I HN 0.398 nan 8.210 nan 0.000 0.418 120 H N -1.363 117.804 119.070 0.162 0.000 2.421 120 H HA -0.238 4.318 4.556 0.000 0.000 0.298 120 H C 2.046 177.461 175.328 0.146 0.000 1.087 120 H CA 1.834 57.941 56.048 0.099 0.000 1.330 120 H CB -0.892 28.854 29.762 -0.027 0.000 1.388 120 H HN 0.448 nan 8.280 nan 0.000 0.526 121 F N 0.981 120.576 119.950 -0.592 0.000 2.187 121 F HA 0.024 4.551 4.527 0.000 0.000 0.295 121 F C 1.342 176.935 175.800 -0.345 0.000 1.091 121 F CA 0.563 58.258 58.000 -0.508 0.000 1.308 121 F CB -0.268 38.271 39.000 -0.769 0.000 1.030 121 F HN 0.052 nan 8.300 nan 0.000 0.487 122 F N -0.629 119.292 119.950 -0.047 0.000 2.451 122 F HA -0.091 4.436 4.527 0.001 0.000 0.299 122 F C 1.856 177.518 175.800 -0.230 0.000 1.101 122 F CA 0.896 58.808 58.000 -0.148 0.000 1.436 122 F CB -1.016 37.932 39.000 -0.085 0.000 1.074 122 F HN -0.010 nan 8.300 nan 0.000 0.553 123 F N -0.091 119.841 119.950 -0.030 0.000 2.163 123 F HA -0.057 4.470 4.527 0.000 0.000 0.297 123 F C 2.471 178.219 175.800 -0.086 0.000 1.094 123 F CA 1.077 59.061 58.000 -0.026 0.000 1.290 123 F CB -0.941 38.047 39.000 -0.019 0.000 1.017 123 F HN -0.081 nan 8.300 nan 0.000 0.483 124 A N -0.206 122.609 122.820 -0.008 0.000 1.978 124 A HA -0.179 4.141 4.320 0.001 0.000 0.220 124 A C 2.308 179.779 177.584 -0.188 0.000 1.170 124 A CA 1.430 53.390 52.037 -0.129 0.000 0.636 124 A CB -0.431 18.405 19.000 -0.273 0.000 0.810 124 A HN 0.153 nan 8.150 nan 0.000 0.448 125 K N -0.813 119.419 120.400 -0.280 0.000 2.001 125 K HA -0.077 4.243 4.320 0.001 0.000 0.208 125 K C 1.951 178.523 176.600 -0.045 0.000 1.048 125 K CA 1.236 57.413 56.287 -0.184 0.000 0.932 125 K CB -0.798 31.620 32.500 -0.136 0.000 0.715 125 K HN 0.445 nan 8.250 nan 0.000 0.437 126 L N 2.205 123.415 121.223 -0.021 0.000 2.046 126 L HA -0.168 4.172 4.340 0.001 0.000 0.208 126 L C 1.524 178.422 176.870 0.046 0.000 1.077 126 L CA 1.802 56.649 54.840 0.011 0.000 0.747 126 L CB -0.769 41.269 42.059 -0.036 0.000 0.896 126 L HN 0.221 nan 8.230 nan 0.000 0.432 127 N N -1.677 117.060 118.700 0.062 0.000 2.142 127 N HA -0.233 4.508 4.740 0.001 0.000 0.186 127 N C 2.056 177.618 175.510 0.088 0.000 1.023 127 N CA 1.366 54.461 53.050 0.075 0.000 0.852 127 N CB -0.416 38.111 38.487 0.067 0.000 0.998 127 N HN 0.530 nan 8.380 nan 0.000 0.424 128 c N 1.819 120.453 118.600 0.057 0.000 2.436 128 c HA -0.079 4.491 4.570 0.001 0.000 0.277 128 c C 2.791 176.936 174.090 0.091 0.000 1.241 128 c CA 0.918 57.295 56.329 0.081 0.000 1.721 128 c CB -1.067 41.453 42.510 0.017 0.000 2.043 128 c HN 0.395 nan 8.230 nan 0.000 0.472 129 R N 0.269 120.804 120.500 0.058 0.000 2.097 129 R HA -0.160 4.181 4.340 0.001 0.000 0.236 129 R C 2.248 178.591 176.300 0.072 0.000 1.135 129 R CA 2.420 58.552 56.100 0.054 0.000 0.934 129 R CB -0.615 29.714 30.300 0.048 0.000 0.846 129 R HN 0.626 nan 8.270 nan 0.000 0.431 130 L N -0.399 120.878 121.223 0.091 0.000 2.093 130 L HA -0.175 4.165 4.340 0.001 0.000 0.208 130 L C 2.595 179.559 176.870 0.157 0.000 1.085 130 L CA 1.055 55.958 54.840 0.105 0.000 0.755 130 L CB -0.710 41.404 42.059 0.092 0.000 0.904 130 L HN 0.289 nan 8.230 nan 0.000 0.435 131 Y N 1.409 121.725 120.300 0.026 0.000 2.145 131 Y HA -0.201 4.349 4.550 0.000 0.000 0.286 131 Y C 2.729 178.651 175.900 0.037 0.000 1.145 131 Y CA 1.266 59.385 58.100 0.032 0.000 1.148 131 Y CB -0.334 38.138 38.460 0.021 0.000 0.981 131 Y HN 0.009 nan 8.280 nan 0.000 0.507 132 R N 0.341 120.792 120.500 -0.081 0.000 2.082 132 R HA -0.190 4.150 4.340 0.001 0.000 0.234 132 R C 2.218 178.450 176.300 -0.113 0.000 1.136 132 R CA 2.128 58.126 56.100 -0.170 0.000 0.935 132 R CB -0.433 29.831 30.300 -0.061 0.000 0.842 132 R HN 0.278 nan 8.270 nan 0.000 0.430 133 K N 0.170 120.558 120.400 -0.021 0.000 2.281 133 K HA -0.111 4.209 4.320 0.001 0.000 0.203 133 K C 1.995 178.615 176.600 0.033 0.000 1.046 133 K CA 1.234 57.531 56.287 0.016 0.000 0.938 133 K CB -0.044 32.485 32.500 0.050 0.000 0.737 133 K HN 0.220 nan 8.250 nan 0.000 0.458 134 A N 1.617 124.457 122.820 0.033 0.000 1.859 134 A HA -0.098 4.223 4.320 0.001 0.000 0.212 134 A C 1.853 179.464 177.584 0.046 0.000 1.238 134 A CA 1.096 53.185 52.037 0.088 0.000 0.613 134 A CB -0.526 18.576 19.000 0.170 0.000 0.904 134 A HN 0.222 nan 8.150 nan 0.000 0.457 135 N N 0.037 118.693 118.700 -0.074 0.000 2.609 135 N HA -0.109 4.631 4.740 0.001 0.000 0.190 135 N C 1.500 176.946 175.510 -0.108 0.000 1.157 135 N CA 0.811 53.792 53.050 -0.115 0.000 0.918 135 N CB -0.238 38.029 38.487 -0.366 0.000 0.978 135 N HN 0.409 nan 8.380 nan 0.000 0.448 136 K N -0.638 119.709 120.400 -0.089 0.000 2.211 136 K HA -0.017 4.303 4.320 0.001 0.000 0.204 136 K C 0.263 176.849 176.600 -0.024 0.000 1.047 136 K CA 1.370 57.624 56.287 -0.055 0.000 0.935 136 K CB 0.132 32.614 32.500 -0.030 0.000 0.728 136 K HN 0.195 nan 8.250 nan 0.000 0.452 137 S N -1.514 114.180 115.700 -0.009 0.000 2.551 137 S HA 0.114 4.584 4.470 0.001 0.000 0.276 137 S C -0.369 174.214 174.600 -0.029 0.000 1.051 137 S CA -0.578 57.620 58.200 -0.003 0.000 1.377 137 S CB 1.044 64.260 63.200 0.027 0.000 1.208 137 S HN 0.014 nan 8.310 nan 0.000 0.656 138 S N 2.005 117.683 115.700 -0.037 0.000 2.549 138 S HA 0.539 5.009 4.470 0.001 0.000 0.297 138 S C -0.376 174.176 174.600 -0.081 0.000 1.115 138 S CA -0.627 57.494 58.200 -0.132 0.000 1.059 138 S CB 1.490 64.602 63.200 -0.148 0.000 1.046 138 S HN 0.131 nan 8.310 nan 0.000 0.506 139 K N 2.395 122.669 120.400 -0.210 0.000 2.315 139 K HA 0.337 4.657 4.320 0.001 0.000 0.291 139 K C -1.243 175.395 176.600 0.063 0.000 1.074 139 K CA -0.186 56.057 56.287 -0.073 0.000 0.936 139 K CB -0.307 32.144 32.500 -0.082 0.000 1.049 139 K HN 0.386 nan 8.250 nan 0.000 0.471 140 L N 6.046 127.423 121.223 0.256 0.000 2.372 140 L HA 0.536 4.876 4.340 0.001 0.000 0.274 140 L C -1.541 175.528 176.870 0.332 0.000 0.988 140 L CA -0.833 54.249 54.840 0.403 0.000 0.833 140 L CB 1.761 44.116 42.059 0.493 0.000 1.236 140 L HN 0.352 nan 8.230 nan 0.000 0.410 141 V N 1.700 121.787 119.914 0.288 0.000 2.569 141 V HA 0.816 4.936 4.120 0.001 0.000 0.301 141 V C -0.090 176.070 176.094 0.109 0.000 1.044 141 V CA -0.293 62.103 62.300 0.160 0.000 0.874 141 V CB 1.183 33.087 31.823 0.135 0.000 1.002 141 V HN 0.740 nan 8.190 nan 0.000 0.424 142 S N 2.780 118.467 115.700 -0.023 0.000 2.758 142 S HA 0.980 5.451 4.470 0.001 0.000 0.292 142 S C 0.199 174.739 174.600 -0.101 0.000 1.131 142 S CA -0.190 57.984 58.200 -0.044 0.000 0.997 142 S CB 1.707 64.832 63.200 -0.126 0.000 1.111 142 S HN 2.075 nan 8.310 nan 0.000 0.552 143 A N 2.843 125.620 122.820 -0.071 0.000 2.601 143 A HA 0.393 4.713 4.320 0.001 0.000 0.292 143 A C -1.074 176.614 177.584 0.174 0.000 1.284 143 A CA -0.938 51.030 52.037 -0.115 0.000 0.893 143 A CB -0.148 18.712 19.000 -0.234 0.000 1.440 143 A HN 0.717 nan 8.150 nan 0.000 0.510 144 N N 1.730 120.563 118.700 0.222 0.000 2.430 144 N HA 0.693 5.434 4.740 0.001 0.000 0.290 144 N C -0.716 174.848 175.510 0.089 0.000 1.063 144 N CA -0.548 52.618 53.050 0.195 0.000 0.883 144 N CB 2.367 40.885 38.487 0.051 0.000 1.465 144 N HN 0.696 nan 8.380 nan 0.000 0.493 145 R N 1.581 122.096 120.500 0.025 0.000 2.663 145 R HA 0.428 4.768 4.340 0.001 0.000 0.267 145 R C -1.619 174.399 176.300 -0.471 0.000 1.038 145 R CA -0.637 55.289 56.100 -0.290 0.000 0.886 145 R CB 1.326 31.104 30.300 -0.869 0.000 1.249 145 R HN 0.385 nan 8.270 nan 0.000 0.463 146 L N 2.558 123.491 121.223 -0.483 0.000 2.357 146 L HA 0.532 4.872 4.340 0.001 0.000 0.273 146 L C -0.831 175.618 176.870 -0.702 0.000 1.080 146 L CA 0.115 54.698 54.840 -0.428 0.000 0.803 146 L CB 0.854 42.732 42.059 -0.302 0.000 1.174 146 L HN 0.428 nan 8.230 nan 0.000 0.443 147 F N 0.380 120.277 119.950 -0.088 0.000 2.518 147 F HA 0.724 5.251 4.527 0.001 0.000 0.323 147 F C 0.609 176.474 175.800 0.108 0.000 1.129 147 F CA -0.690 57.304 58.000 -0.010 0.000 0.920 147 F CB 2.025 41.120 39.000 0.158 0.000 1.160 147 F HN 0.451 nan 8.300 nan 0.000 0.440 148 G N 1.108 110.014 108.800 0.177 0.000 2.537 148 G HA2 0.315 4.275 3.960 0.001 0.000 0.308 148 G HA3 0.315 4.275 3.960 0.001 0.000 0.308 148 G C -1.596 173.542 174.900 0.397 0.000 1.237 148 G CA -0.638 44.630 45.100 0.281 0.000 0.968 148 G HN 0.460 nan 8.290 nan 0.000 0.481 149 D N -0.132 120.574 120.400 0.510 0.000 2.424 149 D HA 0.028 4.668 4.640 0.001 0.000 0.244 149 D C 1.296 177.707 176.300 0.185 0.000 1.134 149 D CA -0.204 53.960 54.000 0.274 0.000 0.881 149 D CB 1.676 42.668 40.800 0.320 0.000 1.191 149 D HN 0.349 nan 8.370 nan 0.000 0.445 150 K N 1.695 122.102 120.400 0.012 0.000 2.152 150 K HA -0.151 4.170 4.320 0.001 0.000 0.206 150 K C 1.188 177.798 176.600 0.016 0.000 1.048 150 K CA 1.233 57.535 56.287 0.025 0.000 0.933 150 K CB -0.270 32.202 32.500 -0.048 0.000 0.721 150 K HN 0.291 nan 8.250 nan 0.000 0.447 151 S N 0.467 116.171 115.700 0.006 0.000 3.120 151 S HA 0.221 4.691 4.470 0.001 0.000 0.259 151 S C 0.021 174.571 174.600 -0.082 0.000 1.191 151 S CA -0.333 57.854 58.200 -0.022 0.000 1.257 151 S CB -0.887 62.316 63.200 0.004 0.000 0.964 151 S HN 0.206 nan 8.310 nan 0.000 0.473 152 L N -0.468 120.652 121.223 -0.170 0.000 2.710 152 L HA 0.426 4.766 4.340 0.001 0.000 0.260 152 L C -0.975 175.587 176.870 -0.515 0.000 0.993 152 L CA -0.708 53.905 54.840 -0.379 0.000 0.877 152 L CB 2.346 44.061 42.059 -0.572 0.000 1.461 152 L HN 0.021 nan 8.230 nan 0.000 0.413 153 T N 1.181 115.438 114.554 -0.495 0.000 2.772 153 T HA 0.589 4.940 4.350 0.001 0.000 0.288 153 T C -0.643 173.795 174.700 -0.436 0.000 0.994 153 T CA -0.266 61.632 62.100 -0.337 0.000 0.951 153 T CB 0.314 69.088 68.868 -0.156 0.000 0.933 153 T HN 0.087 nan 8.240 nan 0.000 0.447 154 F N 2.145 122.078 119.950 -0.029 0.000 2.379 154 F HA 0.338 4.865 4.527 0.000 0.000 0.332 154 F C 1.239 177.026 175.800 -0.020 0.000 1.096 154 F CA -1.252 56.722 58.000 -0.043 0.000 1.105 154 F CB 0.592 39.569 39.000 -0.039 0.000 1.189 154 F HN 0.390 nan 8.300 nan 0.000 0.515 155 N N 2.337 121.120 118.700 0.138 0.000 2.418 155 N HA -0.110 4.631 4.740 0.001 0.000 0.277 155 N C 1.086 176.690 175.510 0.157 0.000 1.317 155 N CA 0.283 53.394 53.050 0.102 0.000 0.922 155 N CB 0.496 39.021 38.487 0.065 0.000 1.194 155 N HN 0.682 nan 8.380 nan 0.000 0.485 156 E N 2.839 123.102 120.200 0.106 0.000 2.118 156 E HA -0.139 4.212 4.350 0.001 0.000 0.195 156 E C 1.093 177.735 176.600 0.071 0.000 0.992 156 E CA 1.681 58.133 56.400 0.086 0.000 0.804 156 E CB -0.055 29.676 29.700 0.053 0.000 0.741 156 E HN 0.632 nan 8.360 nan 0.000 0.458 157 T N -0.386 114.208 114.554 0.067 0.000 2.708 157 T HA -0.185 4.166 4.350 0.001 0.000 0.266 157 T C 1.445 176.170 174.700 0.042 0.000 1.037 157 T CA 1.458 63.583 62.100 0.043 0.000 1.146 157 T CB -0.643 68.247 68.868 0.037 0.000 0.865 157 T HN 0.383 nan 8.240 nan 0.000 0.435 158 Y N 1.997 122.274 120.300 -0.038 0.000 2.128 158 Y HA -0.218 4.332 4.550 0.001 0.000 0.284 158 Y C 2.661 178.521 175.900 -0.067 0.000 1.154 158 Y CA 1.478 59.537 58.100 -0.068 0.000 1.149 158 Y CB -0.348 38.073 38.460 -0.065 0.000 0.976 158 Y HN 0.082 nan 8.280 nan 0.000 0.505 159 Q N 0.499 120.349 119.800 0.084 0.000 2.077 159 Q HA -0.231 4.109 4.340 0.001 0.000 0.206 159 Q C 1.905 177.845 176.000 -0.100 0.000 0.989 159 Q CA 1.974 57.769 55.803 -0.014 0.000 0.853 159 Q CB -0.618 28.159 28.738 0.065 0.000 0.907 159 Q HN 0.631 nan 8.270 nan 0.000 0.418 160 D N 0.387 120.753 120.400 -0.058 0.000 2.123 160 D HA -0.118 4.522 4.640 0.001 0.000 0.196 160 D C 2.118 178.370 176.300 -0.080 0.000 0.992 160 D CA 0.794 54.763 54.000 -0.052 0.000 0.833 160 D CB -0.224 40.562 40.800 -0.023 0.000 0.954 160 D HN 0.261 nan 8.370 nan 0.000 0.455 161 I N 1.147 121.641 120.570 -0.126 0.000 2.127 161 I HA -0.271 3.900 4.170 0.001 0.000 0.241 161 I C 2.430 178.452 176.117 -0.159 0.000 1.075 161 I CA 0.956 62.181 61.300 -0.125 0.000 1.334 161 I CB -0.266 37.623 38.000 -0.185 0.000 1.040 161 I HN -0.092 nan 8.210 nan 0.000 0.405 162 S N 0.172 115.676 115.700 -0.327 0.000 2.383 162 S HA -0.261 4.209 4.470 0.001 0.000 0.229 162 S C 1.836 176.382 174.600 -0.090 0.000 1.030 162 S CA 1.704 59.736 58.200 -0.279 0.000 1.002 162 S CB -0.346 62.579 63.200 -0.460 0.000 0.829 162 S HN 0.432 nan 8.310 nan 0.000 0.467 163 E N 1.074 121.219 120.200 -0.092 0.000 2.058 163 E HA -0.137 4.213 4.350 0.001 0.000 0.194 163 E C 1.858 178.446 176.600 -0.020 0.000 0.997 163 E CA 0.940 57.313 56.400 -0.045 0.000 0.801 163 E CB -0.331 29.344 29.700 -0.042 0.000 0.746 163 E HN 0.346 nan 8.360 nan 0.000 0.450 164 L N -0.662 120.551 121.223 -0.016 0.000 2.022 164 L HA -0.002 4.339 4.340 0.001 0.000 0.204 164 L C 2.330 179.204 176.870 0.008 0.000 1.076 164 L CA 1.240 56.081 54.840 0.001 0.000 0.749 164 L CB -0.665 41.403 42.059 0.015 0.000 0.903 164 L HN 0.104 nan 8.230 nan 0.000 0.439 165 V N -1.320 118.607 119.914 0.022 0.000 2.515 165 V HA -0.267 3.853 4.120 0.001 0.000 0.250 165 V C 1.805 177.951 176.094 0.086 0.000 1.058 165 V CA 1.662 63.982 62.300 0.034 0.000 1.064 165 V CB -0.654 31.214 31.823 0.075 0.000 0.675 165 V HN 0.555 nan 8.190 nan 0.000 0.461 166 Y N -0.105 120.136 120.300 -0.099 0.000 2.481 166 Y HA 0.464 5.014 4.550 0.000 0.000 0.247 166 Y C 1.629 177.479 175.900 -0.084 0.000 1.151 166 Y CA 0.113 58.148 58.100 -0.109 0.000 1.238 166 Y CB 0.799 39.164 38.460 -0.158 0.000 1.179 166 Y HN 0.246 nan 8.280 nan 0.000 0.524 167 G N 0.531 109.310 108.800 -0.035 0.000 2.268 167 G HA2 -0.073 3.887 3.960 0.001 0.000 0.240 167 G HA3 -0.073 3.887 3.960 0.001 0.000 0.240 167 G C 0.198 175.074 174.900 -0.041 0.000 1.010 167 G CA -0.058 44.998 45.100 -0.073 0.000 0.618 167 G HN 1.076 nan 8.290 nan 0.000 0.516 168 A N -0.371 122.429 122.820 -0.033 0.000 2.577 168 A HA 0.703 5.023 4.320 0.001 0.000 0.297 168 A C -0.316 177.230 177.584 -0.063 0.000 1.060 168 A CA 0.305 52.316 52.037 -0.043 0.000 0.697 168 A CB 0.974 19.945 19.000 -0.048 0.000 1.281 168 A HN 1.205 nan 8.150 nan 0.000 0.402 169 K N 1.857 122.198 120.400 -0.098 0.000 2.098 169 K HA 0.668 4.989 4.320 0.001 0.000 0.257 169 K C -0.119 176.360 176.600 -0.202 0.000 0.999 169 K CA -0.675 55.536 56.287 -0.127 0.000 0.924 169 K CB 1.320 33.764 32.500 -0.092 0.000 1.028 169 K HN 0.712 nan 8.250 nan 0.000 0.466 170 L N 2.153 123.242 121.223 -0.224 0.000 2.667 170 L HA -0.103 4.237 4.340 0.001 0.000 0.278 170 L C -0.293 176.355 176.870 -0.368 0.000 1.217 170 L CA 0.245 54.865 54.840 -0.367 0.000 0.935 170 L CB 0.257 42.039 42.059 -0.462 0.000 1.193 170 L HN 0.708 nan 8.230 nan 0.000 0.493 171 Q N 8.019 127.578 119.800 -0.402 0.000 2.349 171 Q HA 0.432 4.772 4.340 0.001 0.000 0.254 171 Q C -2.497 173.454 176.000 -0.082 0.000 0.980 171 Q CA -2.075 53.600 55.803 -0.213 0.000 0.924 171 Q CB 1.345 29.972 28.738 -0.185 0.000 1.209 171 Q HN 0.329 nan 8.270 nan 0.000 0.445 172 P HA 0.201 nan 4.420 nan 0.000 0.271 172 P C -1.020 176.221 177.300 -0.100 0.000 1.216 172 P CA 0.059 63.158 63.100 -0.001 0.000 0.776 172 P CB 0.702 32.471 31.700 0.115 0.000 0.881 173 L N 1.763 122.804 121.223 -0.303 0.000 2.424 173 L HA 0.353 4.694 4.340 0.001 0.000 0.258 173 L C -0.094 176.362 176.870 -0.690 0.000 0.995 173 L CA -0.818 53.689 54.840 -0.555 0.000 0.821 173 L CB 2.331 43.895 42.059 -0.824 0.000 1.383 173 L HN 0.185 nan 8.230 nan 0.000 0.410 174 D N 0.824 120.966 120.400 -0.430 0.000 2.551 174 D HA 0.147 4.787 4.640 0.001 0.000 0.223 174 D C 0.636 176.830 176.300 -0.178 0.000 1.144 174 D CA 0.062 53.915 54.000 -0.245 0.000 1.025 174 D CB 0.173 40.904 40.800 -0.114 0.000 1.085 174 D HN 0.223 nan 8.370 nan 0.000 0.506 175 F N 1.370 121.334 119.950 0.025 0.000 2.259 175 F HA 0.048 4.576 4.527 0.001 0.000 0.298 175 F C 2.367 178.183 175.800 0.026 0.000 1.088 175 F CA 0.547 58.561 58.000 0.022 0.000 1.358 175 F CB -0.406 38.613 39.000 0.032 0.000 1.040 175 F HN 0.271 nan 8.300 nan 0.000 0.505 176 K N 0.224 120.738 120.400 0.190 0.000 2.032 176 K HA -0.183 4.137 4.320 0.001 0.000 0.209 176 K C 1.813 178.461 176.600 0.081 0.000 1.048 176 K CA 1.856 58.216 56.287 0.121 0.000 0.927 176 K CB 0.073 32.625 32.500 0.085 0.000 0.712 176 K HN 0.136 nan 8.250 nan 0.000 0.441 177 E N -0.331 119.902 120.200 0.054 0.000 2.175 177 E HA 0.012 4.362 4.350 0.001 0.000 0.195 177 E C 0.172 176.794 176.600 0.037 0.000 0.934 177 E CA 0.537 56.959 56.400 0.037 0.000 0.870 177 E CB 0.175 29.886 29.700 0.018 0.000 0.838 177 E HN 0.289 nan 8.360 nan 0.000 0.474 178 N N 1.099 119.817 118.700 0.029 0.000 3.170 178 N HA 0.250 4.991 4.740 0.001 0.000 0.305 178 N C 0.527 176.073 175.510 0.058 0.000 1.499 178 N CA 0.052 53.118 53.050 0.026 0.000 1.110 178 N CB 1.155 39.641 38.487 -0.003 0.000 1.390 178 N HN 0.058 nan 8.380 nan 0.000 0.508 179 A N 0.456 123.335 122.820 0.098 0.000 1.892 179 A HA -0.236 4.085 4.320 0.001 0.000 0.218 179 A C 2.182 179.831 177.584 0.108 0.000 1.188 179 A CA 1.366 53.492 52.037 0.149 0.000 0.631 179 A CB -0.204 18.866 19.000 0.118 0.000 0.822 179 A HN 0.429 nan 8.150 nan 0.000 0.447 180 E N -0.423 119.812 120.200 0.059 0.000 2.015 180 E HA -0.186 4.164 4.350 0.001 0.000 0.191 180 E C 2.172 178.784 176.600 0.021 0.000 0.991 180 E CA 1.341 57.761 56.400 0.034 0.000 0.802 180 E CB -0.359 29.354 29.700 0.021 0.000 0.759 180 E HN 0.559 nan 8.360 nan 0.000 0.447 181 Q N 0.356 120.164 119.800 0.013 0.000 2.248 181 Q HA -0.093 4.248 4.340 0.001 0.000 0.208 181 Q C 2.277 178.267 176.000 -0.018 0.000 0.984 181 Q CA 1.030 56.830 55.803 -0.005 0.000 0.875 181 Q CB -0.374 28.358 28.738 -0.009 0.000 0.910 181 Q HN 0.144 nan 8.270 nan 0.000 0.433 182 S N 0.381 116.081 115.700 0.000 0.000 2.357 182 S HA -0.104 4.366 4.470 0.001 0.000 0.221 182 S C 1.874 176.470 174.600 -0.006 0.000 1.031 182 S CA 0.992 59.181 58.200 -0.018 0.000 0.982 182 S CB -0.103 63.130 63.200 0.054 0.000 0.853 182 S HN 0.370 nan 8.310 nan 0.000 0.458 183 R N 1.376 121.899 120.500 0.038 0.000 2.083 183 R HA -0.123 4.218 4.340 0.001 0.000 0.237 183 R C 2.343 178.609 176.300 -0.058 0.000 1.137 183 R CA 1.469 57.558 56.100 -0.019 0.000 0.951 183 R CB -0.550 29.741 30.300 -0.016 0.000 0.851 183 R HN 0.366 nan 8.270 nan 0.000 0.434 184 A N 0.909 123.708 122.820 -0.036 0.000 1.865 184 A HA -0.161 4.159 4.320 0.001 0.000 0.217 184 A C 2.440 180.003 177.584 -0.035 0.000 1.191 184 A CA 1.959 53.977 52.037 -0.031 0.000 0.623 184 A CB -1.111 17.878 19.000 -0.018 0.000 0.826 184 A HN 0.576 nan 8.150 nan 0.000 0.444 185 A N -0.016 122.774 122.820 -0.049 0.000 1.903 185 A HA -0.200 4.121 4.320 0.001 0.000 0.219 185 A C 2.154 179.706 177.584 -0.053 0.000 1.191 185 A CA 1.856 53.865 52.037 -0.046 0.000 0.638 185 A CB -0.790 18.162 19.000 -0.080 0.000 0.823 185 A HN 0.550 nan 8.150 nan 0.000 0.451 186 I N -0.119 120.332 120.570 -0.198 0.000 2.127 186 I HA -0.300 3.870 4.170 0.001 0.000 0.241 186 I C 2.189 178.324 176.117 0.029 0.000 1.075 186 I CA 1.531 62.652 61.300 -0.299 0.000 1.334 186 I CB -0.622 37.037 38.000 -0.569 0.000 1.040 186 I HN 0.321 nan 8.210 nan 0.000 0.405 187 N N 1.020 119.713 118.700 -0.010 0.000 2.149 187 N HA -0.190 4.551 4.740 0.001 0.000 0.188 187 N C 1.819 177.362 175.510 0.056 0.000 1.019 187 N CA 1.318 54.383 53.050 0.025 0.000 0.857 187 N CB -0.287 38.186 38.487 -0.023 0.000 0.997 187 N HN 0.261 nan 8.380 nan 0.000 0.426 188 K N -0.010 120.424 120.400 0.057 0.000 2.057 188 K HA -0.106 4.215 4.320 0.001 0.000 0.206 188 K C 1.713 178.374 176.600 0.102 0.000 1.050 188 K CA 0.614 56.935 56.287 0.056 0.000 0.935 188 K CB -0.480 32.048 32.500 0.047 0.000 0.715 188 K HN 0.295 nan 8.250 nan 0.000 0.439 189 W N 0.419 121.715 121.300 -0.006 0.000 2.358 189 W HA -0.205 4.455 4.660 -0.000 0.000 0.303 189 W C 1.480 178.023 176.519 0.039 0.000 1.208 189 W CA 1.266 58.634 57.345 0.037 0.000 1.274 189 W CB -0.356 29.171 29.460 0.110 0.000 1.138 189 W HN -0.186 nan 8.180 nan 0.000 0.515 190 V N 0.581 120.565 119.914 0.116 0.000 2.220 190 V HA -0.379 3.742 4.120 0.001 0.000 0.246 190 V C 2.423 178.389 176.094 -0.212 0.000 1.049 190 V CA 2.505 64.740 62.300 -0.108 0.000 1.003 190 V CB -1.515 30.374 31.823 0.111 0.000 0.634 190 V HN 0.194 nan 8.190 nan 0.000 0.444 191 S N 0.072 115.707 115.700 -0.109 0.000 2.387 191 S HA -0.268 4.202 4.470 0.001 0.000 0.230 191 S C 1.958 176.456 174.600 -0.170 0.000 1.035 191 S CA 1.751 59.877 58.200 -0.124 0.000 1.014 191 S CB -0.759 62.394 63.200 -0.080 0.000 0.836 191 S HN 0.710 nan 8.310 nan 0.000 0.466 192 N N 1.123 119.710 118.700 -0.187 0.000 2.036 192 N HA -0.196 4.544 4.740 0.001 0.000 0.195 192 N C 1.470 176.823 175.510 -0.263 0.000 1.037 192 N CA 1.242 54.172 53.050 -0.199 0.000 0.855 192 N CB -0.053 38.321 38.487 -0.188 0.000 1.033 192 N HN 0.199 nan 8.380 nan 0.000 0.423 193 K N 0.123 120.270 120.400 -0.422 0.000 2.097 193 K HA -0.040 4.281 4.320 0.001 0.000 0.205 193 K C 1.774 178.220 176.600 -0.256 0.000 1.050 193 K CA 1.410 57.458 56.287 -0.399 0.000 0.938 193 K CB -0.894 31.217 32.500 -0.648 0.000 0.718 193 K HN 0.483 nan 8.250 nan 0.000 0.442 194 T N -0.695 113.717 114.554 -0.236 0.000 3.272 194 T HA 0.126 4.476 4.350 0.001 0.000 0.250 194 T C -0.064 174.519 174.700 -0.194 0.000 1.082 194 T CA -0.172 61.827 62.100 -0.169 0.000 0.968 194 T CB -0.469 68.319 68.868 -0.133 0.000 1.015 194 T HN 0.261 nan 8.240 nan 0.000 0.563 195 E N 0.326 120.420 120.200 -0.178 0.000 2.476 195 E HA -0.214 4.136 4.350 0.001 0.000 0.251 195 E C 1.053 177.533 176.600 -0.201 0.000 1.130 195 E CA 0.329 56.627 56.400 -0.170 0.000 0.736 195 E CB -1.915 27.690 29.700 -0.158 0.000 1.298 195 E HN 0.908 nan 8.360 nan 0.000 0.400 196 G N -0.674 108.013 108.800 -0.188 0.000 2.162 196 G HA2 -0.416 3.544 3.960 0.001 0.000 0.260 196 G HA3 -0.416 3.544 3.960 0.001 0.000 0.260 196 G C 0.830 175.587 174.900 -0.238 0.000 0.976 196 G CA 0.814 45.806 45.100 -0.180 0.000 0.655 196 G HN 0.267 nan 8.290 nan 0.000 0.533 197 R N -0.134 120.171 120.500 -0.324 0.000 2.052 197 R HA 0.280 4.621 4.340 0.001 0.000 0.226 197 R C 1.517 177.672 176.300 -0.241 0.000 1.145 197 R CA 1.102 56.921 56.100 -0.469 0.000 0.952 197 R CB -0.133 29.674 30.300 -0.822 0.000 0.847 197 R HN 0.421 nan 8.270 nan 0.000 0.431 198 I N 1.983 122.483 120.570 -0.116 0.000 2.322 198 I HA 0.091 4.261 4.170 0.001 0.000 0.292 198 I C 1.090 177.202 176.117 -0.009 0.000 1.060 198 I CA 0.201 61.509 61.300 0.013 0.000 1.309 198 I CB 0.385 38.418 38.000 0.056 0.000 1.415 198 I HN 0.375 nan 8.210 nan 0.000 0.492 199 T N 2.477 117.041 114.554 0.018 0.000 3.130 199 T HA 0.097 4.447 4.350 0.001 0.000 0.206 199 T C 0.480 175.186 174.700 0.009 0.000 0.785 199 T CA -0.372 61.729 62.100 0.002 0.000 1.861 199 T CB -0.308 68.561 68.868 0.001 0.000 2.815 199 T HN 0.577 nan 8.240 nan 0.000 0.379 200 D N 2.492 122.894 120.400 0.003 0.000 2.501 200 D HA -0.004 4.636 4.640 0.001 0.000 0.268 200 D C 1.242 177.517 176.300 -0.041 0.000 1.361 200 D CA -0.076 53.910 54.000 -0.023 0.000 1.258 200 D CB 0.051 40.838 40.800 -0.022 0.000 1.136 200 D HN 0.266 nan 8.370 nan 0.000 0.528 201 V N 2.035 121.917 119.914 -0.053 0.000 2.358 201 V HA -0.146 3.975 4.120 0.001 0.000 0.246 201 V C 1.471 177.380 176.094 -0.308 0.000 1.047 201 V CA 0.899 63.152 62.300 -0.079 0.000 1.035 201 V CB -0.336 31.485 31.823 -0.003 0.000 0.658 201 V HN 0.517 nan 8.190 nan 0.000 0.452 202 I N 3.141 123.479 120.570 -0.387 0.000 2.328 202 I HA 0.313 4.483 4.170 0.001 0.000 0.287 202 I C -2.259 173.655 176.117 -0.337 0.000 1.012 202 I CA -1.939 58.962 61.300 -0.664 0.000 1.195 202 I CB 1.521 39.194 38.000 -0.546 0.000 1.350 202 I HN 0.133 nan 8.210 nan 0.000 0.464 203 P HA 0.146 nan 4.420 nan 0.000 0.274 203 P C -0.365 176.890 177.300 -0.075 0.000 1.256 203 P CA -0.410 62.621 63.100 -0.114 0.000 0.795 203 P CB 0.697 32.365 31.700 -0.053 0.000 1.038 204 S N 1.062 116.742 115.700 -0.033 0.000 2.560 204 S HA 0.005 4.475 4.470 0.001 0.000 0.284 204 S C 0.803 175.406 174.600 0.005 0.000 1.327 204 S CA 0.060 58.252 58.200 -0.013 0.000 1.055 204 S CB -0.370 62.828 63.200 -0.003 0.000 0.868 204 S HN 0.572 nan 8.310 nan 0.000 0.506 205 E N -0.563 119.645 120.200 0.013 0.000 4.005 205 E HA -0.310 4.040 4.350 0.001 0.000 0.349 205 E C 1.243 177.870 176.600 0.044 0.000 0.635 205 E CA 1.273 57.690 56.400 0.028 0.000 1.238 205 E CB -1.900 27.818 29.700 0.031 0.000 1.698 205 E HN 0.760 nan 8.360 nan 0.000 0.418 206 A N 0.610 123.458 122.820 0.046 0.000 1.972 206 A HA 0.046 4.366 4.320 0.001 0.000 0.219 206 A C 1.398 179.048 177.584 0.111 0.000 1.169 206 A CA 1.112 53.217 52.037 0.113 0.000 0.635 206 A CB 0.005 19.065 19.000 0.100 0.000 0.810 206 A HN 0.263 nan 8.150 nan 0.000 0.446 207 I N 0.160 120.757 120.570 0.045 0.000 2.474 207 I HA 0.346 4.517 4.170 0.001 0.000 0.294 207 I C -0.655 175.476 176.117 0.024 0.000 1.005 207 I CA -0.788 60.515 61.300 0.005 0.000 1.113 207 I CB 2.040 40.022 38.000 -0.029 0.000 1.289 207 I HN 0.525 nan 8.210 nan 0.000 0.436 208 N N 3.127 121.838 118.700 0.020 0.000 3.157 208 N HA 0.190 4.930 4.740 0.001 0.000 0.291 208 N C 0.317 175.871 175.510 0.073 0.000 1.515 208 N CA -0.807 52.274 53.050 0.050 0.000 0.807 208 N CB 0.349 38.864 38.487 0.047 0.000 1.672 208 N HN 0.465 nan 8.380 nan 0.000 0.592 209 E N 0.200 120.450 120.200 0.083 0.000 2.267 209 E HA -0.148 4.202 4.350 0.001 0.000 0.197 209 E C 0.855 177.519 176.600 0.106 0.000 0.998 209 E CA 1.214 57.675 56.400 0.102 0.000 0.830 209 E CB -0.528 29.219 29.700 0.079 0.000 0.751 209 E HN 0.700 nan 8.360 nan 0.000 0.491 210 L N 1.474 122.750 121.223 0.088 0.000 2.599 210 L HA 0.110 4.450 4.340 0.001 0.000 0.230 210 L C 0.585 177.515 176.870 0.100 0.000 1.141 210 L CA 0.084 54.988 54.840 0.106 0.000 0.877 210 L CB -0.267 41.853 42.059 0.102 0.000 1.009 210 L HN -0.123 nan 8.230 nan 0.000 0.447 211 T N 0.089 114.661 114.554 0.030 0.000 2.907 211 T HA 0.211 4.561 4.350 0.001 0.000 0.298 211 T C 1.046 175.716 174.700 -0.052 0.000 1.017 211 T CA -0.110 61.910 62.100 -0.134 0.000 1.118 211 T CB 2.218 70.833 68.868 -0.422 0.000 0.948 211 T HN 0.109 nan 8.240 nan 0.000 0.531 212 V N 0.650 120.467 119.914 -0.161 0.000 3.350 212 V HA 0.601 4.721 4.120 0.001 0.000 0.246 212 V C -0.261 175.855 176.094 0.036 0.000 1.363 212 V CA -0.192 62.113 62.300 0.008 0.000 1.162 212 V CB 0.114 31.892 31.823 -0.076 0.000 0.947 212 V HN 0.537 nan 8.190 nan 0.000 0.454 213 L N 0.919 122.031 121.223 -0.185 0.000 2.526 213 L HA 0.856 5.197 4.340 0.001 0.000 0.263 213 L C -1.486 175.287 176.870 -0.161 0.000 0.943 213 L CA -0.429 54.353 54.840 -0.096 0.000 0.859 213 L CB 2.232 44.216 42.059 -0.125 0.000 1.313 213 L HN -0.004 nan 8.230 nan 0.000 0.406 214 V N 5.087 124.974 119.914 -0.046 0.000 2.760 214 V HA 0.574 4.695 4.120 0.001 0.000 0.309 214 V C -0.906 175.226 176.094 0.063 0.000 1.077 214 V CA -0.582 61.718 62.300 0.001 0.000 0.910 214 V CB 1.993 33.865 31.823 0.082 0.000 1.008 214 V HN 0.579 nan 8.190 nan 0.000 0.424 215 L N 4.544 125.769 121.223 0.004 0.000 2.307 215 L HA 0.695 5.035 4.340 0.001 0.000 0.284 215 L C -0.355 176.592 176.870 0.129 0.000 1.023 215 L CA -0.090 54.730 54.840 -0.033 0.000 0.810 215 L CB 1.879 43.796 42.059 -0.237 0.000 1.231 215 L HN 0.438 nan 8.230 nan 0.000 0.423 216 V N 3.083 123.108 119.914 0.185 0.000 2.531 216 V HA 0.544 4.665 4.120 0.001 0.000 0.301 216 V C -1.042 175.195 176.094 0.239 0.000 1.034 216 V CA -0.776 61.701 62.300 0.296 0.000 0.865 216 V CB 1.875 33.963 31.823 0.442 0.000 0.995 216 V HN 0.914 nan 8.190 nan 0.000 0.424 217 N N 1.788 120.625 118.700 0.228 0.000 2.519 217 N HA 0.656 5.396 4.740 0.001 0.000 0.286 217 N C -0.671 174.911 175.510 0.119 0.000 1.079 217 N CA -0.643 52.531 53.050 0.206 0.000 0.878 217 N CB 2.072 40.708 38.487 0.249 0.000 1.375 217 N HN 0.632 nan 8.380 nan 0.000 0.514 218 T N -0.586 114.020 114.554 0.087 0.000 2.916 218 T HA 0.779 5.130 4.350 0.001 0.000 0.292 218 T C -0.575 174.170 174.700 0.074 0.000 1.055 218 T CA -0.839 61.272 62.100 0.018 0.000 1.009 218 T CB 1.433 70.339 68.868 0.064 0.000 1.118 218 T HN 0.617 nan 8.240 nan 0.000 0.497 219 I N 1.575 122.231 120.570 0.143 0.000 2.753 219 I HA 0.557 4.727 4.170 0.001 0.000 0.291 219 I C -2.247 174.142 176.117 0.453 0.000 1.425 219 I CA -1.063 60.401 61.300 0.273 0.000 1.039 219 I CB 1.989 40.156 38.000 0.279 0.000 1.349 219 I HN 0.941 nan 8.210 nan 0.000 0.430 220 Y N 7.805 128.286 120.300 0.302 0.000 2.509 220 Y HA 0.777 5.327 4.550 0.000 0.000 0.341 220 Y C -1.889 174.227 175.900 0.361 0.000 1.038 220 Y CA -0.866 57.413 58.100 0.300 0.000 1.089 220 Y CB 1.745 40.261 38.460 0.094 0.000 1.241 220 Y HN 0.499 nan 8.280 nan 0.000 0.468 221 F N 4.899 124.321 119.950 -0.880 0.000 2.665 221 F HA 0.542 5.069 4.527 0.000 0.000 0.308 221 F C -1.908 173.365 175.800 -0.877 0.000 1.112 221 F CA -0.943 56.627 58.000 -0.716 0.000 0.972 221 F CB 1.657 40.333 39.000 -0.540 0.000 1.295 221 F HN 0.502 nan 8.300 nan 0.000 0.440 222 K N 3.851 123.232 120.400 -1.699 0.000 2.670 222 K HA 0.509 4.829 4.320 0.001 0.000 0.274 222 K C -1.220 174.431 176.600 -1.581 0.000 1.068 222 K CA -0.437 55.054 56.287 -1.327 0.000 0.967 222 K CB 1.160 33.270 32.500 -0.651 0.000 1.297 222 K HN 0.957 nan 8.250 nan 0.000 0.477 223 G N 2.561 110.245 108.800 -1.859 0.000 2.425 223 G HA2 0.399 4.359 3.960 0.001 0.000 0.302 223 G HA3 0.399 4.359 3.960 0.001 0.000 0.302 223 G C -0.973 173.580 174.900 -0.577 0.000 1.159 223 G CA -0.705 43.481 45.100 -1.524 0.000 0.865 223 G HN 0.422 nan 8.290 nan 0.000 0.515 224 L N 1.781 122.888 121.223 -0.193 0.000 2.385 224 L HA 0.276 4.616 4.340 0.001 0.000 0.281 224 L C 0.030 177.141 176.870 0.402 0.000 1.106 224 L CA -0.913 53.973 54.840 0.076 0.000 0.856 224 L CB -0.082 42.014 42.059 0.061 0.000 1.186 224 L HN 0.548 nan 8.230 nan 0.000 0.453 225 W N 6.003 127.489 121.300 0.308 0.000 2.505 225 W HA -0.023 4.638 4.660 0.001 0.000 0.332 225 W C 1.567 178.143 176.519 0.096 0.000 1.434 225 W CA -0.327 57.128 57.345 0.184 0.000 1.320 225 W CB 0.570 30.105 29.460 0.125 0.000 1.363 225 W HN 0.643 nan 8.180 nan 0.000 0.565 226 K N 1.532 122.158 120.400 0.377 0.000 2.147 226 K HA -0.135 4.185 4.320 0.001 0.000 0.205 226 K C 0.454 177.094 176.600 0.067 0.000 1.049 226 K CA 1.009 57.403 56.287 0.177 0.000 0.936 226 K CB 0.065 32.639 32.500 0.124 0.000 0.722 226 K HN 0.207 nan 8.250 nan 0.000 0.446 227 S N 1.397 117.108 115.700 0.018 0.000 2.406 227 S HA 0.160 4.631 4.470 0.001 0.000 0.224 227 S C -1.319 173.127 174.600 -0.256 0.000 1.426 227 S CA -0.829 57.283 58.200 -0.147 0.000 1.179 227 S CB 0.807 63.855 63.200 -0.253 0.000 1.042 227 S HN 0.227 nan 8.310 nan 0.000 0.479 228 K N 1.973 122.325 120.400 -0.080 0.000 2.270 228 K HA 0.372 4.692 4.320 0.001 0.000 0.276 228 K C -0.777 175.735 176.600 -0.147 0.000 1.023 228 K CA -0.259 56.022 56.287 -0.010 0.000 0.955 228 K CB 0.421 33.032 32.500 0.186 0.000 0.975 228 K HN 0.214 nan 8.250 nan 0.000 0.471 229 F N 0.804 120.744 119.950 -0.017 0.000 2.389 229 F HA 0.104 4.631 4.527 0.000 0.000 0.337 229 F C 1.207 177.032 175.800 0.041 0.000 1.112 229 F CA -0.260 57.729 58.000 -0.017 0.000 1.192 229 F CB 1.514 40.499 39.000 -0.025 0.000 1.185 229 F HN 0.559 nan 8.300 nan 0.000 0.552 230 S N 2.649 118.484 115.700 0.225 0.000 2.480 230 S HA 0.335 4.805 4.470 0.001 0.000 0.286 230 S C -1.808 172.884 174.600 0.153 0.000 1.180 230 S CA -1.556 56.736 58.200 0.153 0.000 1.075 230 S CB 1.218 64.485 63.200 0.112 0.000 0.996 230 S HN 0.303 nan 8.310 nan 0.000 0.487 231 P HA -0.014 nan 4.420 nan 0.000 0.220 231 P C 0.459 177.803 177.300 0.073 0.000 1.148 231 P CA 0.823 63.977 63.100 0.091 0.000 0.803 231 P CB 0.094 31.837 31.700 0.072 0.000 0.782 232 E N -0.958 119.284 120.200 0.070 0.000 2.533 232 E HA -0.096 4.254 4.350 0.001 0.000 0.203 232 E C 0.651 177.283 176.600 0.053 0.000 1.101 232 E CA 0.554 56.986 56.400 0.053 0.000 0.894 232 E CB -0.646 29.082 29.700 0.047 0.000 0.843 232 E HN 0.496 nan 8.360 nan 0.000 0.552 233 N N -0.913 117.833 118.700 0.076 0.000 2.211 233 N HA 0.009 4.750 4.740 0.001 0.000 0.216 233 N C -0.408 175.136 175.510 0.057 0.000 1.240 233 N CA -0.110 52.980 53.050 0.066 0.000 0.895 233 N CB 1.016 39.594 38.487 0.152 0.000 1.102 233 N HN -0.137 nan 8.380 nan 0.000 0.498 234 T N 2.375 116.971 114.554 0.069 0.000 2.871 234 T HA 0.112 4.463 4.350 0.001 0.000 0.296 234 T C 0.111 174.832 174.700 0.035 0.000 0.998 234 T CA 0.427 62.558 62.100 0.053 0.000 1.162 234 T CB 0.385 69.278 68.868 0.041 0.000 0.947 234 T HN 0.035 nan 8.240 nan 0.000 0.536 235 R N 2.071 122.593 120.500 0.038 0.000 2.854 235 R HA 0.481 4.821 4.340 0.001 0.000 0.271 235 R C -0.502 175.817 176.300 0.032 0.000 0.994 235 R CA -1.232 54.883 56.100 0.025 0.000 0.945 235 R CB 1.499 31.808 30.300 0.016 0.000 1.194 235 R HN 0.336 nan 8.270 nan 0.000 0.476 236 K N 1.563 121.976 120.400 0.021 0.000 2.312 236 K HA 0.157 4.477 4.320 0.001 0.000 0.287 236 K C -0.604 176.007 176.600 0.018 0.000 1.062 236 K CA 0.206 56.504 56.287 0.019 0.000 0.934 236 K CB 0.560 33.066 32.500 0.010 0.000 1.027 236 K HN 0.565 nan 8.250 nan 0.000 0.478 237 E N 3.898 124.113 120.200 0.026 0.000 2.383 237 E HA 0.265 4.615 4.350 0.001 0.000 0.275 237 E C -0.941 175.658 176.600 -0.002 0.000 0.918 237 E CA -0.772 55.638 56.400 0.017 0.000 0.764 237 E CB 0.953 30.675 29.700 0.037 0.000 1.252 237 E HN 0.437 nan 8.360 nan 0.000 0.449 238 L N 3.355 124.540 121.223 -0.062 0.000 2.456 238 L HA 0.238 4.578 4.340 0.001 0.000 0.272 238 L C -0.093 176.625 176.870 -0.255 0.000 1.189 238 L CA 0.105 54.823 54.840 -0.203 0.000 0.846 238 L CB 0.142 41.991 42.059 -0.350 0.000 1.111 238 L HN 0.465 nan 8.230 nan 0.000 0.475 239 F N 2.462 122.157 119.950 -0.425 0.000 2.522 239 F HA 0.462 4.989 4.527 0.001 0.000 0.324 239 F C -0.886 174.622 175.800 -0.487 0.000 1.077 239 F CA -0.657 57.169 58.000 -0.290 0.000 0.944 239 F CB 1.298 40.232 39.000 -0.109 0.000 1.175 239 F HN 0.137 nan 8.300 nan 0.000 0.468 240 Y N 4.345 124.427 120.300 -0.362 0.000 2.356 240 Y HA 0.398 4.948 4.550 0.001 0.000 0.334 240 Y C -0.195 175.647 175.900 -0.096 0.000 0.958 240 Y CA -0.895 57.112 58.100 -0.156 0.000 1.196 240 Y CB 1.071 39.424 38.460 -0.178 0.000 1.137 240 Y HN 0.368 nan 8.280 nan 0.000 0.485 241 K N 1.138 121.665 120.400 0.212 0.000 2.126 241 K HA 0.497 4.817 4.320 0.001 0.000 0.257 241 K C 0.923 177.594 176.600 0.119 0.000 1.007 241 K CA -0.013 56.397 56.287 0.206 0.000 0.928 241 K CB 1.084 33.692 32.500 0.180 0.000 1.013 241 K HN 0.767 nan 8.250 nan 0.000 0.473 242 A N 1.766 124.643 122.820 0.094 0.000 2.024 242 A HA -0.183 4.137 4.320 0.001 0.000 0.220 242 A C 1.366 178.976 177.584 0.043 0.000 1.164 242 A CA 2.016 54.086 52.037 0.055 0.000 0.643 242 A CB -0.586 18.440 19.000 0.043 0.000 0.806 242 A HN 0.895 nan 8.150 nan 0.000 0.451 243 D N -1.213 119.216 120.400 0.048 0.000 2.352 243 D HA 0.213 4.853 4.640 0.001 0.000 0.232 243 D C 1.036 177.361 176.300 0.040 0.000 1.055 243 D CA 0.711 54.732 54.000 0.035 0.000 0.891 243 D CB -1.024 39.794 40.800 0.030 0.000 0.897 243 D HN 0.838 nan 8.370 nan 0.000 0.529 244 G N -0.054 108.779 108.800 0.054 0.000 2.256 244 G HA2 -0.257 3.703 3.960 0.001 0.000 0.272 244 G HA3 -0.257 3.703 3.960 0.001 0.000 0.272 244 G C -0.270 174.678 174.900 0.080 0.000 1.076 244 G CA 0.233 45.369 45.100 0.059 0.000 0.882 244 G HN 0.520 nan 8.290 nan 0.000 0.497 245 E N -0.543 119.717 120.200 0.101 0.000 2.367 245 E HA 0.733 5.084 4.350 0.001 0.000 0.273 245 E C 0.299 176.962 176.600 0.104 0.000 0.903 245 E CA -0.309 56.146 56.400 0.093 0.000 0.764 245 E CB 1.380 31.114 29.700 0.057 0.000 1.252 245 E HN 0.149 nan 8.360 nan 0.000 0.446 246 S N 0.307 116.042 115.700 0.059 0.000 2.655 246 S HA 0.564 5.034 4.470 0.001 0.000 0.265 246 S C -0.763 173.804 174.600 -0.056 0.000 1.240 246 S CA -0.523 57.629 58.200 -0.079 0.000 0.986 246 S CB 0.926 64.070 63.200 -0.094 0.000 0.985 246 S HN 0.579 nan 8.310 nan 0.000 0.562 247 c N 1.034 119.574 118.600 -0.101 0.000 3.113 247 c HA 0.556 5.126 4.570 0.001 0.000 0.376 247 c C -0.287 173.781 174.090 -0.038 0.000 1.077 247 c CA -0.687 55.625 56.329 -0.028 0.000 1.253 247 c CB 1.062 43.601 42.510 0.048 0.000 1.637 247 c HN 0.768 nan 8.230 nan 0.000 0.535 248 S N 3.134 118.816 115.700 -0.030 0.000 2.411 248 S HA 0.770 5.240 4.470 0.001 0.000 0.294 248 S C -0.003 174.591 174.600 -0.011 0.000 1.115 248 S CA 0.144 58.331 58.200 -0.021 0.000 1.071 248 S CB 0.306 63.496 63.200 -0.017 0.000 0.967 248 S HN 1.208 nan 8.310 nan 0.000 0.488 249 A N 3.777 126.605 122.820 0.013 0.000 2.386 249 A HA 0.756 5.076 4.320 0.001 0.000 0.308 249 A C -0.222 177.385 177.584 0.038 0.000 1.128 249 A CA -0.759 51.288 52.037 0.018 0.000 0.789 249 A CB 1.346 20.365 19.000 0.032 0.000 1.325 249 A HN 0.654 nan 8.150 nan 0.000 0.437 250 S N 1.286 117.007 115.700 0.036 0.000 2.485 250 S HA 0.321 4.792 4.470 0.001 0.000 0.312 250 S C -0.072 174.560 174.600 0.053 0.000 1.102 250 S CA -0.138 58.084 58.200 0.037 0.000 1.066 250 S CB -0.413 62.801 63.200 0.024 0.000 1.102 250 S HN 0.590 nan 8.310 nan 0.000 0.519 251 M N 4.223 123.866 119.600 0.071 0.000 2.235 251 M HA 0.397 4.877 4.480 0.001 0.000 0.351 251 M C -0.422 175.913 176.300 0.058 0.000 1.178 251 M CA 0.315 55.673 55.300 0.098 0.000 1.143 251 M CB 0.263 32.950 32.600 0.146 0.000 1.530 251 M HN 0.506 nan 8.290 nan 0.000 0.461 252 M N 3.904 123.491 119.600 -0.022 0.000 2.537 252 M HA 0.434 4.914 4.480 0.001 0.000 0.324 252 M C -1.358 174.967 176.300 0.043 0.000 1.187 252 M CA -0.736 54.479 55.300 -0.142 0.000 0.993 252 M CB 1.889 34.048 32.600 -0.734 0.000 1.666 252 M HN 0.690 nan 8.290 nan 0.000 0.461 253 Y N 1.682 122.009 120.300 0.044 0.000 2.562 253 Y HA 0.607 5.158 4.550 0.001 0.000 0.345 253 Y C -1.443 174.546 175.900 0.149 0.000 1.045 253 Y CA -0.528 57.563 58.100 -0.014 0.000 1.028 253 Y CB 1.791 40.163 38.460 -0.147 0.000 1.297 253 Y HN 0.771 nan 8.280 nan 0.000 0.463 254 Q N 2.291 121.717 119.800 -0.623 0.000 2.776 254 Q HA 0.463 4.804 4.340 0.001 0.000 0.289 254 Q C -2.315 173.309 176.000 -0.627 0.000 0.912 254 Q CA -1.032 54.444 55.803 -0.544 0.000 0.789 254 Q CB 1.889 30.397 28.738 -0.384 0.000 1.498 254 Q HN 0.751 nan 8.270 nan 0.000 0.408 255 E N 0.027 119.997 120.200 -0.383 0.000 2.248 255 E HA 0.820 5.170 4.350 0.001 0.000 0.267 255 E C -0.748 175.787 176.600 -0.109 0.000 0.877 255 E CA -0.698 55.562 56.400 -0.233 0.000 0.759 255 E CB 2.216 31.796 29.700 -0.201 0.000 1.182 255 E HN 0.870 nan 8.360 nan 0.000 0.418 256 G N 1.566 110.348 108.800 -0.029 0.000 2.342 256 G HA2 0.175 4.135 3.960 0.001 0.000 0.297 256 G HA3 0.175 4.135 3.960 0.001 0.000 0.297 256 G C -1.582 173.162 174.900 -0.260 0.000 1.313 256 G CA -0.975 44.009 45.100 -0.194 0.000 0.830 256 G HN 0.301 nan 8.290 nan 0.000 0.506 257 K N 0.265 120.379 120.400 -0.475 0.000 2.284 257 K HA 0.609 4.929 4.320 0.001 0.000 0.287 257 K C -1.312 174.915 176.600 -0.622 0.000 1.081 257 K CA -0.246 55.820 56.287 -0.369 0.000 0.910 257 K CB 0.193 32.539 32.500 -0.256 0.000 1.088 257 K HN 0.247 nan 8.250 nan 0.000 0.478 258 F N 1.904 121.786 119.950 -0.113 0.000 2.576 258 F HA 0.408 4.935 4.527 0.000 0.000 0.313 258 F C 0.240 176.019 175.800 -0.034 0.000 1.078 258 F CA -1.037 56.900 58.000 -0.105 0.000 0.921 258 F CB 1.637 40.534 39.000 -0.172 0.000 1.232 258 F HN 0.255 nan 8.300 nan 0.000 0.459 259 R N 1.996 122.598 120.500 0.171 0.000 2.288 259 R HA 0.254 4.594 4.340 0.001 0.000 0.330 259 R C -1.393 175.016 176.300 0.180 0.000 1.069 259 R CA -0.055 56.125 56.100 0.133 0.000 0.941 259 R CB 0.276 30.631 30.300 0.090 0.000 0.998 259 R HN 0.649 nan 8.270 nan 0.000 0.452 260 Y N 2.141 122.452 120.300 0.018 0.000 2.605 260 Y HA 0.642 5.192 4.550 0.000 0.000 0.343 260 Y C -1.162 174.738 175.900 0.000 0.000 1.036 260 Y CA -1.366 56.729 58.100 -0.009 0.000 1.065 260 Y CB 1.671 40.124 38.460 -0.012 0.000 1.288 260 Y HN 0.444 nan 8.280 nan 0.000 0.481 261 R N 2.815 122.775 120.500 -0.901 0.000 2.561 261 R HA 0.400 4.740 4.340 0.001 0.000 0.266 261 R C -2.233 173.536 176.300 -0.885 0.000 1.091 261 R CA -0.742 54.919 56.100 -0.731 0.000 0.927 261 R CB 1.387 31.494 30.300 -0.322 0.000 1.240 261 R HN 0.842 nan 8.270 nan 0.000 0.449 262 R N 4.347 124.487 120.500 -0.600 0.000 2.272 262 R HA 0.439 4.779 4.340 0.001 0.000 0.323 262 R C -0.056 176.054 176.300 -0.316 0.000 1.002 262 R CA -0.567 55.296 56.100 -0.395 0.000 0.900 262 R CB 0.644 30.827 30.300 -0.195 0.000 1.151 262 R HN 0.554 nan 8.270 nan 0.000 0.507 263 V N 1.460 121.120 119.914 -0.423 0.000 3.700 263 V HA 0.678 4.798 4.120 0.001 0.000 0.277 263 V C 0.567 176.504 176.094 -0.260 0.000 1.067 263 V CA -0.680 61.362 62.300 -0.429 0.000 0.897 263 V CB 0.495 31.741 31.823 -0.962 0.000 1.231 263 V HN 0.753 nan 8.190 nan 0.000 0.425 264 A N -0.322 122.401 122.820 -0.162 0.000 2.565 264 A HA 0.289 4.609 4.320 0.001 0.000 0.237 264 A C 0.765 178.316 177.584 -0.055 0.000 1.053 264 A CA 0.831 52.844 52.037 -0.040 0.000 0.755 264 A CB -1.150 17.896 19.000 0.077 0.000 0.980 264 A HN 1.282 nan 8.150 nan 0.000 0.506 265 E N 0.627 120.809 120.200 -0.031 0.000 2.791 265 E HA -0.283 4.067 4.350 0.001 0.000 0.271 265 E C 1.035 177.604 176.600 -0.052 0.000 1.044 265 E CA 1.099 57.483 56.400 -0.025 0.000 0.814 265 E CB -1.933 27.771 29.700 0.007 0.000 1.400 265 E HN 2.280 nan 8.360 nan 0.000 0.423 266 G N -0.785 107.967 108.800 -0.079 0.000 2.267 266 G HA2 -0.376 3.584 3.960 0.001 0.000 0.257 266 G HA3 -0.376 3.584 3.960 0.001 0.000 0.257 266 G C 0.487 175.317 174.900 -0.116 0.000 0.998 266 G CA 0.473 45.523 45.100 -0.084 0.000 0.620 266 G HN 0.331 nan 8.290 nan 0.000 0.529 267 T N 2.099 116.558 114.554 -0.159 0.000 2.866 267 T HA 0.353 4.703 4.350 0.001 0.000 0.293 267 T C 0.406 174.954 174.700 -0.253 0.000 1.005 267 T CA 0.798 62.777 62.100 -0.202 0.000 1.162 267 T CB 0.638 69.319 68.868 -0.313 0.000 0.968 267 T HN 0.526 nan 8.240 nan 0.000 0.530 268 Q N 2.047 121.789 119.800 -0.096 0.000 2.307 268 Q HA 0.523 4.863 4.340 0.001 0.000 0.262 268 Q C -0.844 175.247 176.000 0.152 0.000 0.961 268 Q CA -0.745 55.068 55.803 0.018 0.000 0.882 268 Q CB 1.826 30.761 28.738 0.329 0.000 1.264 268 Q HN 0.403 nan 8.270 nan 0.000 0.446 269 V N 4.052 123.933 119.914 -0.054 0.000 2.398 269 V HA 0.463 4.583 4.120 0.001 0.000 0.286 269 V C -0.740 175.371 176.094 0.027 0.000 1.026 269 V CA -0.710 61.611 62.300 0.035 0.000 0.868 269 V CB 1.389 33.198 31.823 -0.023 0.000 0.982 269 V HN 0.564 nan 8.190 nan 0.000 0.443 270 L N 4.295 125.496 121.223 -0.036 0.000 2.386 270 L HA 0.679 5.019 4.340 0.001 0.000 0.271 270 L C -0.529 176.274 176.870 -0.113 0.000 0.993 270 L CA -0.140 54.582 54.840 -0.196 0.000 0.819 270 L CB 2.105 43.626 42.059 -0.896 0.000 1.294 270 L HN 0.795 nan 8.230 nan 0.000 0.414 271 E N 4.239 124.423 120.200 -0.027 0.000 2.165 271 E HA 0.544 4.894 4.350 0.001 0.000 0.266 271 E C -1.804 174.834 176.600 0.064 0.000 0.889 271 E CA -0.672 55.759 56.400 0.052 0.000 0.756 271 E CB 1.142 30.902 29.700 0.099 0.000 1.131 271 E HN 0.620 nan 8.360 nan 0.000 0.411 272 L N 7.291 128.544 121.223 0.050 0.000 2.337 272 L HA 0.409 4.749 4.340 0.001 0.000 0.269 272 L C -2.208 174.720 176.870 0.096 0.000 1.018 272 L CA -1.948 52.925 54.840 0.054 0.000 0.876 272 L CB 0.974 42.900 42.059 -0.222 0.000 1.236 272 L HN 0.461 nan 8.230 nan 0.000 0.436 273 P HA 0.113 nan 4.420 nan 0.000 0.271 273 P C -0.556 176.813 177.300 0.115 0.000 1.218 273 P CA -0.034 63.127 63.100 0.101 0.000 0.780 273 P CB 0.766 32.537 31.700 0.118 0.000 0.901 274 F N 0.683 120.814 119.950 0.301 0.000 2.375 274 F HA 0.343 4.870 4.527 0.001 0.000 0.317 274 F C 1.370 177.273 175.800 0.173 0.000 1.124 274 F CA -0.730 57.420 58.000 0.251 0.000 1.050 274 F CB 0.136 39.252 39.000 0.193 0.000 1.314 274 F HN 0.096 nan 8.300 nan 0.000 0.511 275 K N 0.802 121.413 120.400 0.351 0.000 2.473 275 K HA 0.309 4.630 4.320 0.001 0.000 0.277 275 K C 0.738 177.441 176.600 0.171 0.000 1.052 275 K CA 1.230 57.637 56.287 0.200 0.000 1.114 275 K CB -0.573 32.014 32.500 0.145 0.000 0.869 275 K HN 0.768 nan 8.250 nan 0.000 0.481 276 G N 2.850 111.727 108.800 0.127 0.000 2.232 276 G HA2 -0.329 3.632 3.960 0.001 0.000 0.226 276 G HA3 -0.329 3.632 3.960 0.001 0.000 0.226 276 G C 0.468 175.436 174.900 0.112 0.000 0.996 276 G CA 0.338 45.500 45.100 0.104 0.000 0.626 276 G HN 0.751 nan 8.290 nan 0.000 0.509 277 D N 0.135 120.624 120.400 0.149 0.000 2.673 277 D HA -0.265 4.375 4.640 0.001 0.000 0.186 277 D C 1.340 177.731 176.300 0.151 0.000 1.079 277 D CA 2.345 56.430 54.000 0.142 0.000 1.050 277 D CB -1.192 39.662 40.800 0.089 0.000 1.118 277 D HN 0.677 nan 8.370 nan 0.000 0.426 278 D N 0.236 120.722 120.400 0.142 0.000 2.133 278 D HA -0.093 4.547 4.640 0.001 0.000 0.195 278 D C 0.590 176.991 176.300 0.169 0.000 0.997 278 D CA 1.100 55.178 54.000 0.130 0.000 0.840 278 D CB -0.018 40.845 40.800 0.105 0.000 0.947 278 D HN 0.367 nan 8.370 nan 0.000 0.452 279 I N -0.002 120.711 120.570 0.238 0.000 2.465 279 I HA 0.404 4.575 4.170 0.001 0.000 0.291 279 I C -0.076 176.337 176.117 0.493 0.000 1.014 279 I CA -0.472 61.014 61.300 0.310 0.000 1.093 279 I CB 2.216 40.376 38.000 0.266 0.000 1.267 279 I HN 0.068 nan 8.210 nan 0.000 0.431 280 T N 3.039 117.855 114.554 0.436 0.000 2.865 280 T HA 0.704 5.055 4.350 0.001 0.000 0.294 280 T C -0.638 174.300 174.700 0.397 0.000 1.119 280 T CA -0.893 61.428 62.100 0.369 0.000 1.007 280 T CB 1.662 70.663 68.868 0.222 0.000 1.225 280 T HN 0.522 nan 8.240 nan 0.000 0.515 281 M N 2.530 122.284 119.600 0.257 0.000 2.227 281 M HA 0.648 5.129 4.480 0.001 0.000 0.335 281 M C -1.851 174.631 176.300 0.303 0.000 1.053 281 M CA -0.749 54.769 55.300 0.363 0.000 0.973 281 M CB 1.221 34.052 32.600 0.385 0.000 1.623 281 M HN 0.585 nan 8.290 nan 0.000 0.434 282 V N 6.510 126.643 119.914 0.365 0.000 2.459 282 V HA 0.527 4.647 4.120 0.001 0.000 0.295 282 V C -0.456 175.891 176.094 0.421 0.000 1.029 282 V CA -0.676 61.820 62.300 0.327 0.000 0.874 282 V CB 1.703 33.706 31.823 0.301 0.000 0.985 282 V HN 0.820 nan 8.190 nan 0.000 0.438 283 L N 5.407 126.816 121.223 0.309 0.000 2.341 283 L HA 0.630 4.970 4.340 0.001 0.000 0.278 283 L C -1.077 176.037 176.870 0.406 0.000 1.005 283 L CA -0.636 54.428 54.840 0.374 0.000 0.818 283 L CB 2.045 44.229 42.059 0.208 0.000 1.259 283 L HN 0.420 nan 8.230 nan 0.000 0.418 284 I N 4.098 124.960 120.570 0.487 0.000 2.359 284 I HA 0.336 4.507 4.170 0.001 0.000 0.284 284 I C -0.637 175.705 176.117 0.375 0.000 1.018 284 I CA -0.104 61.452 61.300 0.426 0.000 1.173 284 I CB 1.565 39.877 38.000 0.520 0.000 1.326 284 I HN 0.326 nan 8.210 nan 0.000 0.462 285 L N 10.093 131.482 121.223 0.276 0.000 2.313 285 L HA 0.754 5.095 4.340 0.001 0.000 0.283 285 L C -2.537 174.353 176.870 0.033 0.000 1.013 285 L CA -1.572 53.341 54.840 0.122 0.000 0.816 285 L CB 1.408 43.357 42.059 -0.184 0.000 1.236 285 L HN 0.284 nan 8.230 nan 0.000 0.419 286 P HA 0.326 nan 4.420 nan 0.000 0.297 286 P C -1.652 175.620 177.300 -0.047 0.000 1.307 286 P CA -0.742 62.359 63.100 0.002 0.000 0.773 286 P CB 0.457 32.181 31.700 0.040 0.000 1.265 287 K N -0.423 119.950 120.400 -0.045 0.000 2.118 287 K HA 0.351 4.671 4.320 0.001 0.000 0.264 287 K C -2.185 174.377 176.600 -0.064 0.000 1.000 287 K CA -1.622 54.628 56.287 -0.063 0.000 0.929 287 K CB -0.212 32.256 32.500 -0.053 0.000 1.021 287 K HN 0.074 nan 8.250 nan 0.000 0.463 288 P HA -0.231 nan 4.420 nan 0.000 0.218 288 P C 0.294 177.550 177.300 -0.074 0.000 1.150 288 P CA 1.515 64.555 63.100 -0.099 0.000 0.841 288 P CB 0.181 31.804 31.700 -0.128 0.000 0.784 289 E N -0.535 119.631 120.200 -0.057 0.000 2.033 289 E HA -0.079 4.272 4.350 0.001 0.000 0.189 289 E C 0.925 177.511 176.600 -0.024 0.000 0.979 289 E CA 0.873 57.249 56.400 -0.041 0.000 0.802 289 E CB -0.710 28.969 29.700 -0.035 0.000 0.763 289 E HN 0.069 nan 8.360 nan 0.000 0.449 290 K N 1.678 122.068 120.400 -0.016 0.000 2.412 290 K HA 0.079 4.399 4.320 0.001 0.000 0.281 290 K C -0.495 176.112 176.600 0.011 0.000 1.027 290 K CA -0.072 56.218 56.287 0.004 0.000 0.989 290 K CB 0.524 33.032 32.500 0.014 0.000 0.935 290 K HN 0.078 nan 8.250 nan 0.000 0.475 291 S N 4.073 119.785 115.700 0.021 0.000 2.586 291 S HA 0.164 4.634 4.470 0.001 0.000 0.274 291 S C 0.909 175.540 174.600 0.052 0.000 1.281 291 S CA -0.861 57.355 58.200 0.028 0.000 1.035 291 S CB 1.145 64.358 63.200 0.022 0.000 0.962 291 S HN 0.644 nan 8.310 nan 0.000 0.512 292 L N 2.457 123.717 121.223 0.063 0.000 2.261 292 L HA 0.044 4.385 4.340 0.001 0.000 0.216 292 L C 2.480 179.407 176.870 0.094 0.000 1.114 292 L CA 2.057 56.953 54.840 0.093 0.000 0.777 292 L CB -1.439 40.678 42.059 0.097 0.000 0.910 292 L HN 0.974 nan 8.230 nan 0.000 0.440 293 A N -0.533 122.325 122.820 0.063 0.000 1.908 293 A HA -0.250 4.070 4.320 0.001 0.000 0.218 293 A C 2.319 179.938 177.584 0.058 0.000 1.181 293 A CA 2.031 54.098 52.037 0.050 0.000 0.627 293 A CB -0.425 18.589 19.000 0.024 0.000 0.818 293 A HN 0.518 nan 8.150 nan 0.000 0.445 294 K N -0.481 119.954 120.400 0.058 0.000 2.025 294 K HA -0.045 4.276 4.320 0.001 0.000 0.207 294 K C 1.892 178.548 176.600 0.092 0.000 1.049 294 K CA 1.357 57.680 56.287 0.061 0.000 0.933 294 K CB -0.459 32.072 32.500 0.053 0.000 0.714 294 K HN 0.298 nan 8.250 nan 0.000 0.438 295 V N 2.274 122.261 119.914 0.122 0.000 2.287 295 V HA -0.257 3.864 4.120 0.001 0.000 0.248 295 V C 2.045 178.243 176.094 0.174 0.000 1.053 295 V CA 1.856 64.262 62.300 0.176 0.000 1.027 295 V CB -0.533 31.420 31.823 0.217 0.000 0.646 295 V HN 0.342 nan 8.190 nan 0.000 0.447 296 E N 0.002 120.305 120.200 0.172 0.000 2.118 296 E HA -0.251 4.099 4.350 0.001 0.000 0.195 296 E C 2.238 178.929 176.600 0.152 0.000 0.992 296 E CA 1.306 57.830 56.400 0.207 0.000 0.804 296 E CB -0.158 29.689 29.700 0.246 0.000 0.741 296 E HN 0.617 nan 8.360 nan 0.000 0.458 297 K N 0.476 120.935 120.400 0.099 0.000 2.186 297 K HA -0.058 4.263 4.320 0.001 0.000 0.202 297 K C 1.832 178.461 176.600 0.048 0.000 1.052 297 K CA 0.835 57.156 56.287 0.057 0.000 0.965 297 K CB 0.137 32.655 32.500 0.031 0.000 0.746 297 K HN 0.099 nan 8.250 nan 0.000 0.457 298 E N 0.595 120.832 120.200 0.063 0.000 2.318 298 E HA -0.031 4.319 4.350 0.001 0.000 0.193 298 E C -0.109 176.499 176.600 0.014 0.000 0.998 298 E CA -0.091 56.338 56.400 0.048 0.000 0.859 298 E CB 0.248 29.996 29.700 0.080 0.000 0.812 298 E HN -0.021 nan 8.360 nan 0.000 0.492 299 L N 2.572 123.807 121.223 0.020 0.000 2.456 299 L HA 0.092 4.433 4.340 0.001 0.000 0.277 299 L C 0.146 176.961 176.870 -0.092 0.000 1.124 299 L CA 0.438 55.224 54.840 -0.089 0.000 0.880 299 L CB 0.209 42.246 42.059 -0.036 0.000 1.192 299 L HN -0.009 nan 8.230 nan 0.000 0.463 300 T N 2.157 116.615 114.554 -0.160 0.000 2.938 300 T HA 0.574 4.924 4.350 0.001 0.000 0.285 300 T C -1.991 172.605 174.700 -0.173 0.000 1.028 300 T CA -1.803 60.225 62.100 -0.119 0.000 1.005 300 T CB 1.411 70.224 68.868 -0.091 0.000 1.157 300 T HN 0.313 nan 8.240 nan 0.000 0.550 301 P HA -0.063 nan 4.420 nan 0.000 0.215 301 P C 1.209 178.413 177.300 -0.160 0.000 1.153 301 P CA 1.084 64.106 63.100 -0.130 0.000 0.853 301 P CB 0.065 31.721 31.700 -0.074 0.000 0.788 302 E N -0.796 119.322 120.200 -0.138 0.000 2.077 302 E HA -0.116 4.234 4.350 0.001 0.000 0.193 302 E C 2.033 178.507 176.600 -0.211 0.000 0.989 302 E CA 0.915 57.236 56.400 -0.131 0.000 0.800 302 E CB -1.377 28.270 29.700 -0.088 0.000 0.746 302 E HN 0.021 nan 8.360 nan 0.000 0.452 303 V N 0.768 120.498 119.914 -0.306 0.000 2.295 303 V HA -0.228 3.892 4.120 0.001 0.000 0.246 303 V C 2.286 177.847 176.094 -0.889 0.000 1.049 303 V CA 1.554 63.526 62.300 -0.547 0.000 1.024 303 V CB -0.571 30.907 31.823 -0.576 0.000 0.648 303 V HN 0.209 nan 8.190 nan 0.000 0.447 304 L N 0.158 120.940 121.223 -0.734 0.000 2.013 304 L HA -0.246 4.094 4.340 0.001 0.000 0.212 304 L C 2.532 179.200 176.870 -0.336 0.000 1.073 304 L CA 2.452 56.917 54.840 -0.625 0.000 0.753 304 L CB -0.705 41.072 42.059 -0.470 0.000 0.890 304 L HN 0.397 nan 8.230 nan 0.000 0.432 305 Q N -0.056 119.599 119.800 -0.241 0.000 2.084 305 Q HA -0.265 4.076 4.340 0.001 0.000 0.202 305 Q C 2.202 178.171 176.000 -0.051 0.000 0.978 305 Q CA 2.192 57.930 55.803 -0.107 0.000 0.844 305 Q CB -0.394 28.301 28.738 -0.072 0.000 0.898 305 Q HN 0.669 nan 8.270 nan 0.000 0.426 306 E N -1.127 119.019 120.200 -0.090 0.000 2.070 306 E HA -0.217 4.133 4.350 0.001 0.000 0.197 306 E C 1.408 178.107 176.600 0.164 0.000 1.004 306 E CA 1.576 57.984 56.400 0.012 0.000 0.805 306 E CB -0.252 29.441 29.700 -0.011 0.000 0.744 306 E HN 0.495 nan 8.360 nan 0.000 0.451 307 W N 0.779 122.062 121.300 -0.027 0.000 2.335 307 W HA -0.132 4.528 4.660 0.001 0.000 0.311 307 W C 2.319 178.819 176.519 -0.031 0.000 1.213 307 W CA 0.540 57.866 57.345 -0.032 0.000 1.274 307 W CB -1.229 28.210 29.460 -0.034 0.000 1.148 307 W HN 0.190 nan 8.180 nan 0.000 0.498 308 L N 0.055 121.400 121.223 0.203 0.000 2.042 308 L HA -0.246 4.095 4.340 0.001 0.000 0.210 308 L C 2.119 179.039 176.870 0.084 0.000 1.076 308 L CA 1.540 56.447 54.840 0.111 0.000 0.749 308 L CB -0.855 41.238 42.059 0.056 0.000 0.893 308 L HN -0.072 nan 8.230 nan 0.000 0.432 309 D N -0.013 120.433 120.400 0.077 0.000 2.178 309 D HA -0.164 4.476 4.640 0.001 0.000 0.202 309 D C 1.840 178.174 176.300 0.058 0.000 0.974 309 D CA 1.126 55.162 54.000 0.059 0.000 0.841 309 D CB -0.071 40.760 40.800 0.051 0.000 0.953 309 D HN 0.487 nan 8.370 nan 0.000 0.478 310 E N 0.260 120.504 120.200 0.074 0.000 2.511 310 E HA 0.043 4.394 4.350 0.001 0.000 0.196 310 E C 0.437 177.051 176.600 0.023 0.000 1.066 310 E CA -0.193 56.236 56.400 0.049 0.000 0.871 310 E CB 0.202 29.936 29.700 0.056 0.000 0.863 310 E HN 0.267 nan 8.360 nan 0.000 0.520 311 L N 2.690 123.935 121.223 0.036 0.000 2.615 311 L HA -0.022 4.318 4.340 0.001 0.000 0.271 311 L C 0.259 177.149 176.870 0.032 0.000 1.183 311 L CA 0.717 55.573 54.840 0.027 0.000 0.933 311 L CB 0.040 42.130 42.059 0.052 0.000 1.199 311 L HN 0.023 nan 8.230 nan 0.000 0.487 312 E N 3.539 123.758 120.200 0.033 0.000 2.151 312 E HA 0.191 4.541 4.350 0.001 0.000 0.275 312 E C -0.587 176.056 176.600 0.073 0.000 0.936 312 E CA -0.635 55.792 56.400 0.045 0.000 0.777 312 E CB 1.811 31.536 29.700 0.041 0.000 1.108 312 E HN 0.448 nan 8.360 nan 0.000 0.401 313 E N 4.068 124.299 120.200 0.051 0.000 2.415 313 E HA 0.140 4.490 4.350 0.001 0.000 0.263 313 E C -0.714 175.913 176.600 0.045 0.000 0.995 313 E CA 0.407 56.832 56.400 0.042 0.000 0.915 313 E CB 0.601 30.306 29.700 0.008 0.000 0.951 313 E HN 0.425 nan 8.360 nan 0.000 0.449 314 M N 3.770 123.401 119.600 0.051 0.000 2.880 314 M HA 0.331 4.811 4.480 0.001 0.000 0.269 314 M C -1.803 174.502 176.300 0.008 0.000 1.248 314 M CA -0.847 54.479 55.300 0.043 0.000 0.821 314 M CB 1.979 34.640 32.600 0.101 0.000 1.650 314 M HN 0.459 nan 8.290 nan 0.000 0.479 315 M N 3.912 123.507 119.600 -0.009 0.000 2.167 315 M HA 0.503 4.983 4.480 0.001 0.000 0.333 315 M C -1.553 174.726 176.300 -0.035 0.000 1.030 315 M CA -0.577 54.704 55.300 -0.031 0.000 0.963 315 M CB 1.145 33.718 32.600 -0.045 0.000 1.589 315 M HN 0.629 nan 8.290 nan 0.000 0.431 316 L N 2.821 124.026 121.223 -0.030 0.000 2.669 316 L HA 0.806 5.147 4.340 0.001 0.000 0.255 316 L C -0.967 175.837 176.870 -0.110 0.000 1.123 316 L CA -1.062 53.720 54.840 -0.096 0.000 0.941 316 L CB 0.430 42.353 42.059 -0.227 0.000 1.552 316 L HN 0.268 nan 8.230 nan 0.000 0.394 317 V N 0.914 120.740 119.914 -0.146 0.000 2.435 317 V HA 0.751 4.871 4.120 0.001 0.000 0.290 317 V C -0.375 175.591 176.094 -0.213 0.000 1.030 317 V CA -0.599 61.568 62.300 -0.221 0.000 0.881 317 V CB 1.602 33.356 31.823 -0.116 0.000 0.983 317 V HN 0.551 nan 8.190 nan 0.000 0.445 318 V N 4.403 124.106 119.914 -0.352 0.000 2.459 318 V HA 0.497 4.617 4.120 0.001 0.000 0.295 318 V C -0.831 175.160 176.094 -0.170 0.000 1.029 318 V CA -0.658 61.507 62.300 -0.226 0.000 0.874 318 V CB 1.593 33.160 31.823 -0.428 0.000 0.985 318 V HN 0.944 nan 8.190 nan 0.000 0.438 319 H N 4.358 123.499 119.070 0.118 0.000 2.800 319 H HA 0.669 5.225 4.556 0.001 0.000 0.322 319 H C -0.452 174.937 175.328 0.102 0.000 0.979 319 H CA -0.207 55.923 56.048 0.136 0.000 1.277 319 H CB 1.549 31.388 29.762 0.128 0.000 1.484 319 H HN 0.654 nan 8.280 nan 0.000 0.512 320 M N 5.692 125.356 119.600 0.106 0.000 2.326 320 M HA 0.461 4.941 4.480 0.001 0.000 0.292 320 M C -3.074 173.273 176.300 0.079 0.000 1.081 320 M CA -2.004 53.345 55.300 0.082 0.000 0.919 320 M CB 2.548 35.146 32.600 -0.004 0.000 1.634 320 M HN 0.306 nan 8.290 nan 0.000 0.451 321 P HA 0.238 nan 4.420 nan 0.000 0.277 321 P C -1.410 176.072 177.300 0.303 0.000 1.240 321 P CA -0.140 63.120 63.100 0.266 0.000 0.798 321 P CB 0.734 32.641 31.700 0.345 0.000 0.979 322 R N 1.911 122.498 120.500 0.146 0.000 2.441 322 R HA 0.583 4.923 4.340 0.001 0.000 0.284 322 R C -0.001 176.395 176.300 0.160 0.000 1.070 322 R CA -0.025 56.104 56.100 0.048 0.000 1.047 322 R CB 0.144 30.441 30.300 -0.005 0.000 1.016 322 R HN 0.549 nan 8.270 nan 0.000 0.477 323 F N -1.758 118.199 119.950 0.012 0.000 2.719 323 F HA 0.605 5.132 4.527 0.001 0.000 0.309 323 F C -1.306 174.459 175.800 -0.059 0.000 1.138 323 F CA -1.425 56.550 58.000 -0.040 0.000 0.943 323 F CB 1.508 40.473 39.000 -0.058 0.000 1.304 323 F HN 0.258 nan 8.300 nan 0.000 0.445 324 R N 1.936 122.495 120.500 0.099 0.000 2.604 324 R HA 0.828 5.168 4.340 0.001 0.000 0.281 324 R C -1.781 174.412 176.300 -0.179 0.000 1.020 324 R CA -0.862 55.199 56.100 -0.064 0.000 0.899 324 R CB 2.886 33.187 30.300 0.002 0.000 1.205 324 R HN 0.768 nan 8.270 nan 0.000 0.450 325 I N 1.444 121.758 120.570 -0.427 0.000 2.686 325 I HA 0.317 4.487 4.170 0.001 0.000 0.295 325 I C -0.798 174.971 176.117 -0.580 0.000 1.114 325 I CA -0.772 60.298 61.300 -0.384 0.000 1.038 325 I CB 2.617 40.499 38.000 -0.197 0.000 1.238 325 I HN 0.663 nan 8.210 nan 0.000 0.420 326 E N 3.089 123.105 120.200 -0.306 0.000 2.343 326 E HA 0.458 4.808 4.350 0.001 0.000 0.260 326 E C -1.901 174.781 176.600 0.137 0.000 0.908 326 E CA -0.806 55.533 56.400 -0.102 0.000 0.814 326 E CB 1.889 31.493 29.700 -0.160 0.000 1.302 326 E HN 0.293 nan 8.360 nan 0.000 0.408 327 D N 2.755 123.340 120.400 0.308 0.000 2.392 327 D HA 0.383 5.023 4.640 0.001 0.000 0.228 327 D C -0.587 176.012 176.300 0.499 0.000 1.074 327 D CA -0.156 54.083 54.000 0.399 0.000 0.838 327 D CB 1.660 42.751 40.800 0.485 0.000 1.067 327 D HN 0.589 nan 8.370 nan 0.000 0.511 328 G N 2.107 111.165 108.800 0.430 0.000 2.417 328 G HA2 0.629 4.589 3.960 0.001 0.000 0.320 328 G HA3 0.629 4.589 3.960 0.001 0.000 0.320 328 G C -0.877 174.344 174.900 0.534 0.000 1.204 328 G CA -0.611 44.703 45.100 0.357 0.000 0.923 328 G HN 0.320 nan 8.290 nan 0.000 0.466 329 F N -0.620 119.496 119.950 0.276 0.000 2.741 329 F HA 0.697 5.224 4.527 0.001 0.000 0.311 329 F C -0.485 175.509 175.800 0.324 0.000 1.149 329 F CA -1.729 56.432 58.000 0.269 0.000 0.930 329 F CB 1.109 40.234 39.000 0.209 0.000 1.312 329 F HN 0.245 nan 8.300 nan 0.000 0.450 330 S N 2.325 118.243 115.700 0.365 0.000 2.415 330 S HA 0.379 4.849 4.470 0.001 0.000 0.313 330 S C 1.136 175.833 174.600 0.162 0.000 1.067 330 S CA -0.719 57.551 58.200 0.118 0.000 1.099 330 S CB 0.372 63.583 63.200 0.017 0.000 0.991 330 S HN 0.698 nan 8.310 nan 0.000 0.491 331 L N 2.633 123.955 121.223 0.164 0.000 2.189 331 L HA -0.214 4.126 4.340 0.001 0.000 0.214 331 L C 2.562 179.524 176.870 0.153 0.000 1.097 331 L CA 1.146 56.173 54.840 0.312 0.000 0.764 331 L CB -0.547 41.717 42.059 0.341 0.000 0.900 331 L HN 0.612 nan 8.230 nan 0.000 0.436 332 K N 0.964 121.340 120.400 -0.039 0.000 1.990 332 K HA -0.333 3.987 4.320 0.001 0.000 0.225 332 K C 2.081 178.416 176.600 -0.441 0.000 1.053 332 K CA 2.458 58.475 56.287 -0.449 0.000 0.982 332 K CB -0.278 31.925 32.500 -0.495 0.000 0.734 332 K HN 0.322 nan 8.250 nan 0.000 0.448 333 E N 0.117 120.163 120.200 -0.257 0.000 2.049 333 E HA -0.340 4.011 4.350 0.001 0.000 0.198 333 E C 2.235 178.736 176.600 -0.165 0.000 1.007 333 E CA 2.043 58.332 56.400 -0.184 0.000 0.809 333 E CB -0.126 29.517 29.700 -0.096 0.000 0.749 333 E HN 0.412 nan 8.360 nan 0.000 0.450 334 Q N 0.512 120.221 119.800 -0.151 0.000 2.077 334 Q HA -0.182 4.158 4.340 0.001 0.000 0.206 334 Q C 2.260 178.063 176.000 -0.329 0.000 0.989 334 Q CA 1.990 57.606 55.803 -0.312 0.000 0.853 334 Q CB -0.282 28.252 28.738 -0.340 0.000 0.907 334 Q HN 0.409 nan 8.270 nan 0.000 0.418 335 L N -0.029 121.125 121.223 -0.115 0.000 2.131 335 L HA -0.203 4.137 4.340 0.001 0.000 0.210 335 L C 2.606 179.473 176.870 -0.004 0.000 1.092 335 L CA 1.313 56.144 54.840 -0.015 0.000 0.759 335 L CB -0.432 41.723 42.059 0.159 0.000 0.903 335 L HN 0.375 nan 8.230 nan 0.000 0.435 336 Q N -0.624 119.136 119.800 -0.068 0.000 2.119 336 Q HA -0.221 4.120 4.340 0.001 0.000 0.201 336 Q C 1.669 177.659 176.000 -0.017 0.000 0.972 336 Q CA 1.288 57.083 55.803 -0.013 0.000 0.847 336 Q CB -0.095 28.581 28.738 -0.103 0.000 0.903 336 Q HN 0.475 nan 8.270 nan 0.000 0.433 337 D N -0.031 120.331 120.400 -0.063 0.000 2.317 337 D HA -0.035 4.605 4.640 0.001 0.000 0.211 337 D C 1.299 177.608 176.300 0.014 0.000 0.966 337 D CA 0.629 54.628 54.000 -0.002 0.000 0.876 337 D CB 0.260 41.090 40.800 0.049 0.000 0.927 337 D HN 0.273 nan 8.370 nan 0.000 0.519 338 M N -1.252 118.296 119.600 -0.086 0.000 2.428 338 M HA 0.152 4.632 4.480 0.001 0.000 0.239 338 M C 1.313 177.597 176.300 -0.027 0.000 1.121 338 M CA 0.378 55.637 55.300 -0.068 0.000 1.019 338 M CB 1.401 33.903 32.600 -0.163 0.000 1.485 338 M HN 0.126 nan 8.290 nan 0.000 0.484 339 G N 0.828 109.629 108.800 0.003 0.000 2.391 339 G HA2 -0.206 3.755 3.960 0.001 0.000 0.204 339 G HA3 -0.206 3.755 3.960 0.001 0.000 0.204 339 G C -0.065 174.867 174.900 0.054 0.000 1.012 339 G CA -0.625 44.487 45.100 0.020 0.000 0.651 339 G HN 0.277 nan 8.290 nan 0.000 0.494 340 L N 3.487 124.758 121.223 0.080 0.000 2.505 340 L HA 0.468 4.808 4.340 0.001 0.000 0.275 340 L C 1.812 178.853 176.870 0.286 0.000 1.264 340 L CA 0.903 55.839 54.840 0.160 0.000 1.148 340 L CB 0.461 42.656 42.059 0.227 0.000 1.377 340 L HN 0.624 nan 8.230 nan 0.000 0.442 341 V N -0.373 119.651 119.914 0.183 0.000 2.484 341 V HA 0.091 4.211 4.120 0.001 0.000 0.236 341 V C 1.720 177.926 176.094 0.186 0.000 1.062 341 V CA 0.673 63.100 62.300 0.211 0.000 1.081 341 V CB -0.786 31.106 31.823 0.115 0.000 0.751 341 V HN 0.445 nan 8.190 nan 0.000 0.484 342 D N 1.154 121.607 120.400 0.088 0.000 2.149 342 D HA -0.220 4.420 4.640 0.001 0.000 0.194 342 D C 1.971 178.283 176.300 0.021 0.000 1.001 342 D CA 2.038 56.068 54.000 0.049 0.000 0.849 342 D CB -0.580 40.233 40.800 0.022 0.000 0.939 342 D HN 0.436 nan 8.370 nan 0.000 0.449 343 L N -0.472 120.709 121.223 -0.070 0.000 2.129 343 L HA -0.173 4.167 4.340 0.001 0.000 0.212 343 L C 1.522 178.248 176.870 -0.240 0.000 1.087 343 L CA 1.613 56.316 54.840 -0.229 0.000 0.757 343 L CB -0.383 41.412 42.059 -0.440 0.000 0.896 343 L HN -0.028 nan 8.230 nan 0.000 0.434 344 F N -1.900 118.127 119.950 0.128 0.000 2.749 344 F HA 0.270 4.798 4.527 0.001 0.000 0.300 344 F C 1.504 177.403 175.800 0.166 0.000 1.103 344 F CA 0.148 58.248 58.000 0.166 0.000 1.342 344 F CB -0.428 38.641 39.000 0.115 0.000 1.098 344 F HN -0.037 nan 8.300 nan 0.000 0.586 345 S N 1.637 117.465 115.700 0.213 0.000 2.416 345 S HA 0.208 4.678 4.470 0.001 0.000 0.287 345 S C -1.601 172.957 174.600 -0.070 0.000 1.139 345 S CA -1.578 56.661 58.200 0.065 0.000 1.058 345 S CB 0.766 63.996 63.200 0.049 0.000 0.967 345 S HN -0.136 nan 8.310 nan 0.000 0.495 346 P HA -0.165 nan 4.420 nan 0.000 0.216 346 P C 0.940 178.090 177.300 -0.251 0.000 1.154 346 P CA 1.435 64.157 63.100 -0.630 0.000 0.865 346 P CB 0.169 31.401 31.700 -0.780 0.000 0.789 347 E N -0.718 119.388 120.200 -0.158 0.000 2.152 347 E HA -0.113 4.238 4.350 0.001 0.000 0.192 347 E C 1.569 178.141 176.600 -0.046 0.000 0.983 347 E CA 0.914 57.263 56.400 -0.084 0.000 0.818 347 E CB -0.161 29.501 29.700 -0.063 0.000 0.758 347 E HN 0.368 nan 8.360 nan 0.000 0.467 348 K N 0.319 120.701 120.400 -0.031 0.000 2.361 348 K HA 0.162 4.483 4.320 0.001 0.000 0.194 348 K C 0.387 176.987 176.600 -0.000 0.000 1.032 348 K CA -0.109 56.173 56.287 -0.008 0.000 1.048 348 K CB 0.765 33.268 32.500 0.006 0.000 0.842 348 K HN -0.165 nan 8.250 nan 0.000 0.526 349 S N 2.467 118.171 115.700 0.005 0.000 2.515 349 S HA 0.073 4.543 4.470 0.001 0.000 0.285 349 S C -0.058 174.546 174.600 0.008 0.000 1.265 349 S CA 0.240 58.451 58.200 0.020 0.000 1.079 349 S CB 0.291 63.542 63.200 0.083 0.000 0.877 349 S HN 0.054 nan 8.310 nan 0.000 0.493 350 K N 4.104 124.500 120.400 -0.008 0.000 2.530 350 K HA 0.339 4.659 4.320 0.001 0.000 0.230 350 K C -0.756 175.825 176.600 -0.032 0.000 1.002 350 K CA -0.108 56.170 56.287 -0.014 0.000 1.014 350 K CB 0.812 33.307 32.500 -0.008 0.000 1.286 350 K HN 0.528 nan 8.250 nan 0.000 0.480 351 L N 3.900 125.098 121.223 -0.042 0.000 2.960 351 L HA 0.208 4.548 4.340 0.001 0.000 0.274 351 L C -1.259 175.561 176.870 -0.083 0.000 1.327 351 L CA -1.255 53.538 54.840 -0.078 0.000 0.860 351 L CB 0.981 42.978 42.059 -0.103 0.000 1.239 351 L HN 0.145 nan 8.230 nan 0.000 0.551 352 P HA -0.194 nan 4.420 nan 0.000 0.218 352 P C 1.457 178.716 177.300 -0.069 0.000 1.146 352 P CA 1.609 64.677 63.100 -0.053 0.000 0.813 352 P CB 0.324 32.004 31.700 -0.033 0.000 0.778 353 G N -0.263 108.485 108.800 -0.087 0.000 2.511 353 G HA2 -0.099 3.862 3.960 0.001 0.000 0.217 353 G HA3 -0.099 3.862 3.960 0.001 0.000 0.217 353 G C 1.613 176.403 174.900 -0.184 0.000 1.133 353 G CA 0.100 45.146 45.100 -0.091 0.000 0.792 353 G HN 0.265 nan 8.290 nan 0.000 0.539 354 I N 0.890 121.277 120.570 -0.305 0.000 2.584 354 I HA 0.026 4.196 4.170 0.001 0.000 0.255 354 I C 1.083 177.118 176.117 -0.136 0.000 1.145 354 I CA 0.112 61.123 61.300 -0.482 0.000 1.462 354 I CB -0.085 37.590 38.000 -0.543 0.000 1.102 354 I HN 0.010 nan 8.210 nan 0.000 0.433 355 V N -1.173 118.686 119.914 -0.092 0.000 2.863 355 V HA 0.564 4.684 4.120 0.001 0.000 0.307 355 V C 1.287 177.333 176.094 -0.081 0.000 1.061 355 V CA -0.385 61.858 62.300 -0.096 0.000 1.024 355 V CB 1.184 32.932 31.823 -0.124 0.000 1.049 355 V HN 0.111 nan 8.190 nan 0.000 0.471 356 A N 0.725 123.484 122.820 -0.102 0.000 1.877 356 A HA -0.050 4.271 4.320 0.001 0.000 0.216 356 A C 1.648 179.200 177.584 -0.053 0.000 1.186 356 A CA 1.508 53.507 52.037 -0.064 0.000 0.620 356 A CB -0.465 18.489 19.000 -0.076 0.000 0.822 356 A HN 0.893 nan 8.150 nan 0.000 0.443 357 E N -0.437 119.724 120.200 -0.064 0.000 2.451 357 E HA 0.329 4.679 4.350 0.001 0.000 0.194 357 E C 1.222 177.796 176.600 -0.042 0.000 1.027 357 E CA 0.484 56.856 56.400 -0.048 0.000 0.914 357 E CB -0.547 29.124 29.700 -0.047 0.000 1.054 357 E HN 0.641 nan 8.360 nan 0.000 0.461 358 G N 3.453 112.225 108.800 -0.048 0.000 2.566 358 G HA2 -0.409 3.552 3.960 0.001 0.000 0.280 358 G HA3 -0.409 3.552 3.960 0.001 0.000 0.280 358 G C 0.111 174.989 174.900 -0.037 0.000 1.225 358 G CA 0.732 45.807 45.100 -0.042 0.000 0.966 358 G HN 0.482 nan 8.290 nan 0.000 0.560 359 R N 0.065 120.548 120.500 -0.027 0.000 3.411 359 R HA -0.226 4.114 4.340 0.001 0.000 0.632 359 R C -0.238 176.051 176.300 -0.018 0.000 0.241 359 R CA 1.621 57.709 56.100 -0.021 0.000 1.943 359 R CB -1.780 28.509 30.300 -0.019 0.000 0.855 359 R HN 1.371 nan 8.270 nan 0.000 0.627 360 D N 0.375 120.768 120.400 -0.012 0.000 2.382 360 D HA 0.074 4.714 4.640 0.001 0.000 0.259 360 D C 0.096 176.395 176.300 -0.001 0.000 1.224 360 D CA 0.864 54.861 54.000 -0.006 0.000 0.894 360 D CB 0.431 41.225 40.800 -0.010 0.000 1.127 360 D HN 0.441 nan 8.370 nan 0.000 0.487 361 D N 2.812 123.222 120.400 0.016 0.000 1.810 361 D HA -0.020 4.621 4.640 0.001 0.000 0.468 361 D C -0.723 175.629 176.300 0.087 0.000 1.071 361 D CA -0.185 53.831 54.000 0.026 0.000 1.103 361 D CB -0.158 40.636 40.800 -0.011 0.000 1.846 361 D HN 0.360 nan 8.370 nan 0.000 0.522 362 L N 2.415 123.687 121.223 0.081 0.000 2.317 362 L HA 0.571 4.911 4.340 0.001 0.000 0.281 362 L C -1.120 175.856 176.870 0.177 0.000 1.024 362 L CA -0.666 54.247 54.840 0.122 0.000 0.810 362 L CB 1.081 43.171 42.059 0.052 0.000 1.240 362 L HN 0.156 nan 8.230 nan 0.000 0.427 363 Y N 2.323 122.619 120.300 -0.006 0.000 2.638 363 Y HA 0.761 5.311 4.550 0.001 0.000 0.339 363 Y C -1.276 174.612 175.900 -0.019 0.000 1.084 363 Y CA -1.736 56.350 58.100 -0.023 0.000 1.068 363 Y CB 0.821 39.282 38.460 0.001 0.000 1.294 363 Y HN 0.184 nan 8.280 nan 0.000 0.480 364 V N 2.737 122.577 119.914 -0.124 0.000 2.368 364 V HA 0.154 4.274 4.120 0.001 0.000 0.266 364 V C 0.561 176.599 176.094 -0.093 0.000 1.045 364 V CA 0.202 62.396 62.300 -0.176 0.000 0.899 364 V CB 0.399 32.127 31.823 -0.159 0.000 1.006 364 V HN 1.027 nan 8.190 nan 0.000 0.470 365 S N 2.915 118.433 115.700 -0.303 0.000 2.383 365 S HA -0.037 4.433 4.470 0.001 0.000 0.227 365 S C 0.597 175.185 174.600 -0.019 0.000 1.026 365 S CA 1.048 59.142 58.200 -0.177 0.000 0.981 365 S CB -0.065 62.971 63.200 -0.274 0.000 0.818 365 S HN 0.914 nan 8.310 nan 0.000 0.472 366 D N -2.101 118.267 120.400 -0.053 0.000 2.764 366 D HA 0.535 5.176 4.640 0.001 0.000 0.293 366 D C -1.992 174.204 176.300 -0.173 0.000 1.287 366 D CA -0.292 53.613 54.000 -0.158 0.000 0.768 366 D CB 1.801 42.341 40.800 -0.434 0.000 1.288 366 D HN 0.111 nan 8.370 nan 0.000 0.426 367 A N 1.184 123.821 122.820 -0.305 0.000 2.402 367 A HA 0.651 4.971 4.320 0.001 0.000 0.291 367 A C -1.695 175.706 177.584 -0.305 0.000 1.051 367 A CA -0.486 51.468 52.037 -0.139 0.000 0.716 367 A CB 0.481 19.626 19.000 0.241 0.000 1.223 367 A HN 0.234 nan 8.150 nan 0.000 0.425 368 F N 1.231 121.242 119.950 0.101 0.000 2.469 368 F HA 0.603 5.131 4.527 0.000 0.000 0.332 368 F C 0.272 176.109 175.800 0.062 0.000 1.103 368 F CA -0.160 57.878 58.000 0.064 0.000 0.979 368 F CB 2.015 41.054 39.000 0.065 0.000 1.137 368 F HN 0.739 nan 8.300 nan 0.000 0.463 369 H N 2.553 121.627 119.070 0.007 0.000 2.667 369 H HA 0.531 5.087 4.556 0.000 0.000 0.353 369 H C -1.379 173.889 175.328 -0.101 0.000 1.072 369 H CA -0.880 55.098 56.048 -0.116 0.000 1.214 369 H CB 1.558 31.110 29.762 -0.349 0.000 1.600 369 H HN 0.622 nan 8.280 nan 0.000 0.527 370 K N 4.061 124.162 120.400 -0.499 0.000 2.565 370 K HA 0.742 5.062 4.320 0.001 0.000 0.249 370 K C -1.933 174.575 176.600 -0.153 0.000 0.958 370 K CA -0.731 55.447 56.287 -0.181 0.000 0.806 370 K CB 1.347 33.867 32.500 0.033 0.000 1.194 370 K HN 0.645 nan 8.250 nan 0.000 0.434 371 A N 3.536 126.413 122.820 0.095 0.000 2.401 371 A HA 0.775 5.095 4.320 0.001 0.000 0.310 371 A C -1.895 176.096 177.584 0.678 0.000 1.075 371 A CA -0.603 51.651 52.037 0.361 0.000 0.746 371 A CB 0.898 20.036 19.000 0.230 0.000 1.277 371 A HN 0.606 nan 8.150 nan 0.000 0.425 372 F N 1.800 122.115 119.950 0.608 0.000 2.539 372 F HA 0.651 5.178 4.527 0.001 0.000 0.318 372 F C -1.310 174.530 175.800 0.066 0.000 1.135 372 F CA -1.173 57.064 58.000 0.394 0.000 0.915 372 F CB 1.971 41.235 39.000 0.441 0.000 1.176 372 F HN 0.482 nan 8.300 nan 0.000 0.440 373 L N 5.796 126.848 121.223 -0.285 0.000 2.349 373 L HA 0.540 4.880 4.340 0.001 0.000 0.278 373 L C -1.132 175.603 176.870 -0.224 0.000 0.996 373 L CA -0.148 54.361 54.840 -0.552 0.000 0.825 373 L CB 1.618 42.824 42.059 -1.422 0.000 1.243 373 L HN 0.696 nan 8.230 nan 0.000 0.412 374 E N 3.871 123.995 120.200 -0.128 0.000 2.176 374 E HA 0.618 4.969 4.350 0.001 0.000 0.267 374 E C -1.812 174.601 176.600 -0.312 0.000 0.893 374 E CA -0.697 55.662 56.400 -0.069 0.000 0.761 374 E CB 1.806 31.591 29.700 0.143 0.000 1.133 374 E HN 0.504 nan 8.360 nan 0.000 0.409 375 V N 5.529 125.167 119.914 -0.460 0.000 2.483 375 V HA 0.362 4.482 4.120 0.001 0.000 0.297 375 V C -0.413 175.502 176.094 -0.297 0.000 1.027 375 V CA -0.620 61.364 62.300 -0.527 0.000 0.855 375 V CB 1.300 32.439 31.823 -1.141 0.000 0.995 375 V HN 0.852 nan 8.190 nan 0.000 0.424 376 N N 3.004 121.653 118.700 -0.085 0.000 3.513 376 N HA 0.393 5.133 4.740 0.001 0.000 0.351 376 N C 0.501 176.145 175.510 0.224 0.000 1.624 376 N CA -0.754 52.309 53.050 0.022 0.000 0.712 376 N CB 0.776 39.270 38.487 0.012 0.000 2.106 376 N HN 0.180 nan 8.380 nan 0.000 0.649 377 E N -1.048 119.284 120.200 0.220 0.000 2.204 377 E HA -0.086 4.265 4.350 0.001 0.000 0.194 377 E C 0.287 177.255 176.600 0.613 0.000 0.989 377 E CA 1.547 58.175 56.400 0.381 0.000 0.824 377 E CB -0.030 29.821 29.700 0.252 0.000 0.756 377 E HN 0.804 nan 8.360 nan 0.000 0.477 378 E N -2.682 117.792 120.200 0.456 0.000 2.712 378 E HA 0.201 4.552 4.350 0.001 0.000 0.221 378 E C 0.666 177.367 176.600 0.169 0.000 0.943 378 E CA 0.295 56.957 56.400 0.437 0.000 1.259 378 E CB 0.517 30.369 29.700 0.253 0.000 1.167 378 E HN 0.055 nan 8.360 nan 0.000 0.569 379 G N 2.305 111.095 108.800 -0.017 0.000 2.225 379 G HA2 -0.342 3.618 3.960 0.001 0.000 0.264 379 G HA3 -0.342 3.618 3.960 0.001 0.000 0.264 379 G C 0.187 175.025 174.900 -0.104 0.000 1.060 379 G CA 0.316 45.297 45.100 -0.198 0.000 0.833 379 G HN 0.619 nan 8.290 nan 0.000 0.498 380 S N -0.842 114.839 115.700 -0.032 0.000 2.714 380 S HA 0.355 4.825 4.470 0.001 0.000 0.318 380 S C 0.915 175.494 174.600 -0.035 0.000 1.219 380 S CA 0.697 58.890 58.200 -0.012 0.000 1.175 380 S CB 1.710 64.918 63.200 0.014 0.000 0.961 380 S HN 0.690 nan 8.310 nan 0.000 0.518 381 E N 3.156 123.335 120.200 -0.034 0.000 2.364 381 E HA 0.403 4.753 4.350 0.001 0.000 0.203 381 E C 0.713 177.299 176.600 -0.023 0.000 0.888 381 E CA 0.660 57.038 56.400 -0.036 0.000 0.989 381 E CB 0.263 29.935 29.700 -0.047 0.000 0.985 381 E HN 0.823 nan 8.360 nan 0.000 0.499 382 A N 0.555 123.368 122.820 -0.013 0.000 2.869 382 A HA 0.784 5.105 4.320 0.001 0.000 0.244 382 A C -0.094 177.490 177.584 -0.000 0.000 1.374 382 A CA -0.276 51.757 52.037 -0.007 0.000 0.913 382 A CB -0.075 18.923 19.000 -0.002 0.000 1.589 382 A HN 0.278 nan 8.150 nan 0.000 0.485 383 A N -0.547 122.275 122.820 0.003 0.000 2.515 383 A HA 0.383 4.704 4.320 0.001 0.000 0.276 383 A C 1.093 178.686 177.584 0.015 0.000 1.104 383 A CA 0.588 52.629 52.037 0.007 0.000 0.822 383 A CB -1.057 17.947 19.000 0.008 0.000 1.016 383 A HN 1.886 nan 8.150 nan 0.000 0.530 384 A N 3.199 126.028 122.820 0.016 0.000 2.255 384 A HA 0.251 4.571 4.320 0.001 0.000 0.206 384 A C 1.165 178.770 177.584 0.035 0.000 1.193 384 A CA 0.468 52.522 52.037 0.028 0.000 0.794 384 A CB -0.380 18.635 19.000 0.025 0.000 0.794 384 A HN 0.713 nan 8.150 nan 0.000 0.481 385 S N 0.845 116.562 115.700 0.028 0.000 2.498 385 S HA 0.431 4.901 4.470 0.001 0.000 0.281 385 S C 0.031 174.653 174.600 0.036 0.000 1.265 385 S CA 0.176 58.394 58.200 0.029 0.000 1.071 385 S CB 0.494 63.707 63.200 0.021 0.000 0.894 385 S HN 0.433 nan 8.310 nan 0.000 0.491 386 T N 1.750 116.330 114.554 0.043 0.000 2.886 386 T HA 0.699 5.049 4.350 0.001 0.000 0.330 386 T C -1.083 173.648 174.700 0.051 0.000 1.488 386 T CA -0.463 61.666 62.100 0.049 0.000 1.054 386 T CB 1.704 70.610 68.868 0.064 0.000 1.348 386 T HN 0.799 nan 8.240 nan 0.000 0.489 387 A N 1.171 124.018 122.820 0.045 0.000 2.599 387 A HA 0.924 5.244 4.320 0.001 0.000 0.290 387 A C -1.439 176.168 177.584 0.038 0.000 1.101 387 A CA -0.686 51.378 52.037 0.045 0.000 0.674 387 A CB 1.359 20.380 19.000 0.035 0.000 1.277 387 A HN 1.558 nan 8.150 nan 0.000 0.419 388 V N -1.439 118.496 119.914 0.036 0.000 2.638 388 V HA 0.825 4.945 4.120 0.001 0.000 0.306 388 V C -1.139 174.967 176.094 0.019 0.000 1.052 388 V CA -0.656 61.657 62.300 0.022 0.000 0.885 388 V CB 1.242 33.074 31.823 0.014 0.000 0.999 388 V HN 0.916 nan 8.190 nan 0.000 0.424 389 V N 6.676 126.596 119.914 0.010 0.000 2.304 389 V HA 0.506 4.626 4.120 0.001 0.000 0.278 389 V C -0.115 175.980 176.094 0.001 0.000 1.018 389 V CA -0.195 62.110 62.300 0.009 0.000 0.814 389 V CB 1.131 32.959 31.823 0.008 0.000 1.021 389 V HN 0.833 nan 8.190 nan 0.000 0.440 390 I N 4.648 125.219 120.570 0.001 0.000 2.371 390 I HA 0.659 4.829 4.170 0.001 0.000 0.282 390 I C 0.505 176.620 176.117 -0.004 0.000 1.031 390 I CA -0.324 60.972 61.300 -0.008 0.000 1.180 390 I CB 1.419 39.411 38.000 -0.014 0.000 1.336 390 I HN 0.597 nan 8.210 nan 0.000 0.467 391 A N 4.227 127.044 122.820 -0.006 0.000 2.312 391 A HA 0.721 5.041 4.320 0.001 0.000 0.326 391 A C 0.929 178.509 177.584 -0.007 0.000 1.172 391 A CA 0.077 52.112 52.037 -0.004 0.000 0.821 391 A CB 0.910 19.909 19.000 -0.003 0.000 1.166 391 A HN 1.110 nan 8.150 nan 0.000 0.493 392 G N 0.752 109.549 108.800 -0.005 0.000 2.182 392 G HA2 -0.200 3.760 3.960 0.001 0.000 0.248 392 G HA3 -0.200 3.760 3.960 0.001 0.000 0.248 392 G C 0.144 175.038 174.900 -0.010 0.000 1.042 392 G CA 0.612 45.707 45.100 -0.007 0.000 0.775 392 G HN 1.050 nan 8.290 nan 0.000 0.501 393 R N -0.439 120.056 120.500 -0.009 0.000 2.562 393 R HA 0.707 5.048 4.340 0.001 0.000 0.298 393 R C -0.918 175.378 176.300 -0.006 0.000 0.961 393 R CA -0.121 55.972 56.100 -0.012 0.000 0.881 393 R CB 1.645 31.934 30.300 -0.018 0.000 1.159 393 R HN 0.322 nan 8.270 nan 0.000 0.450 394 S N 4.962 120.657 115.700 -0.008 0.000 2.706 394 S HA 0.399 4.870 4.470 0.001 0.000 0.270 394 S C -1.041 173.555 174.600 -0.007 0.000 1.163 394 S CA -0.702 57.496 58.200 -0.003 0.000 1.042 394 S CB 0.636 63.835 63.200 -0.001 0.000 1.079 394 S HN 0.533 nan 8.310 nan 0.000 0.474 395 L N 2.976 124.197 121.223 -0.004 0.000 2.400 395 L HA 0.584 4.925 4.340 0.001 0.000 0.264 395 L C 0.678 177.546 176.870 -0.002 0.000 1.061 395 L CA -1.212 53.623 54.840 -0.009 0.000 0.799 395 L CB 0.564 42.615 42.059 -0.014 0.000 1.240 395 L HN 0.622 nan 8.230 nan 0.000 0.461 396 N N 0.894 119.592 118.700 -0.004 0.000 2.447 396 N HA 0.036 4.777 4.740 0.001 0.000 0.263 396 N C -1.940 173.574 175.510 0.005 0.000 1.226 396 N CA -0.926 52.124 53.050 0.000 0.000 0.906 396 N CB 0.925 39.411 38.487 -0.001 0.000 1.060 396 N HN 0.236 nan 8.380 nan 0.000 0.468 397 P HA -0.071 nan 4.420 nan 0.000 0.219 397 P C -0.746 176.561 177.300 0.013 0.000 1.146 397 P CA 1.304 64.412 63.100 0.012 0.000 0.808 397 P CB 0.152 31.858 31.700 0.010 0.000 0.779 398 N N -0.474 118.232 118.700 0.010 0.000 2.908 398 N HA 0.103 4.843 4.740 0.001 0.000 0.316 398 N C -0.184 175.332 175.510 0.010 0.000 1.619 398 N CA -0.426 52.631 53.050 0.011 0.000 1.045 398 N CB 0.034 38.527 38.487 0.011 0.000 1.357 398 N HN 0.187 nan 8.380 nan 0.000 0.501 399 R N -0.993 119.511 120.500 0.007 0.000 2.486 399 R HA 0.574 4.914 4.340 0.001 0.000 0.286 399 R C -0.258 176.036 176.300 -0.010 0.000 0.999 399 R CA -0.657 55.440 56.100 -0.004 0.000 0.993 399 R CB 0.884 31.176 30.300 -0.014 0.000 1.084 399 R HN -0.059 nan 8.270 nan 0.000 0.487 400 V N 1.307 121.204 119.914 -0.028 0.000 3.376 400 V HA 0.206 4.326 4.120 0.001 0.000 0.303 400 V C -0.282 175.760 176.094 -0.087 0.000 1.100 400 V CA 0.587 62.858 62.300 -0.048 0.000 1.126 400 V CB 1.581 33.370 31.823 -0.057 0.000 1.085 400 V HN 0.983 nan 8.190 nan 0.000 0.480 401 T N 4.039 118.554 114.554 -0.066 0.000 3.032 401 T HA 0.433 4.783 4.350 0.001 0.000 0.312 401 T C -1.482 173.230 174.700 0.020 0.000 1.078 401 T CA -0.434 61.658 62.100 -0.013 0.000 1.028 401 T CB 0.845 69.760 68.868 0.078 0.000 1.091 401 T HN 0.567 nan 8.240 nan 0.000 0.457 402 F N 5.458 125.325 119.950 -0.138 0.000 2.308 402 F HA 0.607 5.134 4.527 0.001 0.000 0.370 402 F C -0.067 175.731 175.800 -0.004 0.000 1.100 402 F CA -0.758 57.182 58.000 -0.100 0.000 1.108 402 F CB 0.657 39.545 39.000 -0.186 0.000 1.293 402 F HN 0.471 nan 8.300 nan 0.000 0.478 403 K N 5.613 125.902 120.400 -0.185 0.000 2.473 403 K HA 0.585 4.905 4.320 0.001 0.000 0.246 403 K C -0.527 175.904 176.600 -0.281 0.000 1.011 403 K CA -0.594 55.637 56.287 -0.093 0.000 0.984 403 K CB 1.015 33.415 32.500 -0.166 0.000 1.250 403 K HN 0.682 nan 8.250 nan 0.000 0.454 404 A N 4.566 127.245 122.820 -0.234 0.000 3.030 404 A HA 0.012 4.333 4.320 0.001 0.000 0.273 404 A C 0.196 177.802 177.584 0.037 0.000 1.841 404 A CA -0.337 51.564 52.037 -0.227 0.000 1.479 404 A CB -0.741 18.026 19.000 -0.387 0.000 1.048 404 A HN 0.821 nan 8.150 nan 0.000 0.612 405 N N 1.358 119.991 118.700 -0.111 0.000 2.380 405 N HA 0.118 4.859 4.740 0.001 0.000 0.255 405 N C -0.167 174.942 175.510 -0.669 0.000 1.158 405 N CA -0.378 52.544 53.050 -0.214 0.000 0.878 405 N CB -0.104 38.352 38.487 -0.053 0.000 1.138 405 N HN 0.746 nan 8.380 nan 0.000 0.509 406 R N -2.622 117.430 120.500 -0.747 0.000 2.664 406 R HA 0.482 4.823 4.340 0.001 0.000 0.266 406 R C -3.391 172.818 176.300 -0.152 0.000 1.046 406 R CA -1.504 54.185 56.100 -0.685 0.000 0.885 406 R CB -0.037 30.113 30.300 -0.250 0.000 1.254 406 R HN -0.207 nan 8.270 nan 0.000 0.465 407 P HA -0.102 nan 4.420 nan 0.000 0.263 407 P C -1.206 176.222 177.300 0.213 0.000 1.162 407 P CA 0.661 63.866 63.100 0.174 0.000 0.758 407 P CB 0.081 31.846 31.700 0.108 0.000 0.773 408 F N 0.251 120.275 119.950 0.123 0.000 2.654 408 F HA 0.564 5.091 4.527 0.000 0.000 0.308 408 F C -1.580 174.273 175.800 0.089 0.000 1.108 408 F CA -1.546 56.523 58.000 0.115 0.000 0.957 408 F CB 0.670 39.760 39.000 0.148 0.000 1.309 408 F HN -0.051 nan 8.300 nan 0.000 0.446 409 L N 2.562 123.978 121.223 0.321 0.000 2.418 409 L HA 0.744 5.085 4.340 0.001 0.000 0.265 409 L C -0.524 176.465 176.870 0.198 0.000 1.143 409 L CA -1.206 53.702 54.840 0.114 0.000 0.809 409 L CB 1.468 43.588 42.059 0.101 0.000 1.124 409 L HN 0.575 nan 8.230 nan 0.000 0.456 410 V N 2.140 122.000 119.914 -0.091 0.000 2.656 410 V HA 0.520 4.640 4.120 0.001 0.000 0.307 410 V C -0.903 175.078 176.094 -0.189 0.000 1.051 410 V CA -0.514 61.846 62.300 0.101 0.000 0.893 410 V CB 1.933 33.888 31.823 0.219 0.000 0.999 410 V HN 0.404 nan 8.190 nan 0.000 0.426 411 F N 3.951 124.085 119.950 0.305 0.000 2.573 411 F HA 0.622 5.150 4.527 0.000 0.000 0.316 411 F C -0.251 175.744 175.800 0.325 0.000 1.148 411 F CA -0.474 57.688 58.000 0.270 0.000 0.940 411 F CB 1.854 40.969 39.000 0.192 0.000 1.214 411 F HN 0.212 nan 8.300 nan 0.000 0.448 412 I N 4.869 125.755 120.570 0.527 0.000 2.355 412 I HA 0.548 4.718 4.170 0.001 0.000 0.288 412 I C -0.451 175.886 176.117 0.367 0.000 0.999 412 I CA -0.584 60.999 61.300 0.471 0.000 1.163 412 I CB 1.395 39.666 38.000 0.451 0.000 1.316 412 I HN 0.672 nan 8.210 nan 0.000 0.454 413 R N 4.286 124.976 120.500 0.316 0.000 2.888 413 R HA 0.570 4.911 4.340 0.001 0.000 0.264 413 R C -0.989 175.430 176.300 0.199 0.000 1.045 413 R CA -0.966 55.269 56.100 0.225 0.000 0.962 413 R CB 1.883 32.300 30.300 0.194 0.000 1.210 413 R HN 0.391 nan 8.270 nan 0.000 0.479 414 E N 1.471 121.761 120.200 0.151 0.000 2.115 414 E HA 0.115 4.465 4.350 0.001 0.000 0.282 414 E C 0.551 177.225 176.600 0.124 0.000 0.987 414 E CA -0.489 55.992 56.400 0.136 0.000 0.797 414 E CB 1.647 31.413 29.700 0.109 0.000 1.086 414 E HN 0.534 nan 8.360 nan 0.000 0.397 415 V N 6.825 126.815 119.914 0.126 0.000 2.220 415 V HA -0.249 3.872 4.120 0.001 0.000 0.250 415 V C -0.913 175.229 176.094 0.080 0.000 1.056 415 V CA 2.221 64.584 62.300 0.104 0.000 1.016 415 V CB -1.346 30.538 31.823 0.101 0.000 0.639 415 V HN 0.695 nan 8.190 nan 0.000 0.446 416 P HA -0.160 nan 4.420 nan 0.000 0.215 416 P C 1.738 179.067 177.300 0.049 0.000 1.157 416 P CA 1.432 64.558 63.100 0.044 0.000 0.874 416 P CB -0.057 31.664 31.700 0.035 0.000 0.790 417 L N -1.833 119.436 121.223 0.077 0.000 2.529 417 L HA 0.234 4.574 4.340 0.001 0.000 0.223 417 L C 0.237 177.191 176.870 0.140 0.000 1.113 417 L CA 0.787 55.699 54.840 0.119 0.000 0.861 417 L CB -0.758 41.378 42.059 0.129 0.000 1.012 417 L HN -0.038 nan 8.230 nan 0.000 0.461 418 N N -0.008 118.758 118.700 0.110 0.000 2.747 418 N HA -0.168 4.572 4.740 0.001 0.000 0.249 418 N C -0.290 175.277 175.510 0.095 0.000 1.107 418 N CA 1.084 54.192 53.050 0.098 0.000 0.707 418 N CB -1.966 36.573 38.487 0.088 0.000 1.054 418 N HN 0.360 nan 8.380 nan 0.000 0.555 419 T N 1.503 116.119 114.554 0.103 0.000 2.799 419 T HA 0.278 4.629 4.350 0.001 0.000 0.296 419 T C 1.282 176.042 174.700 0.101 0.000 0.947 419 T CA -0.175 61.981 62.100 0.094 0.000 1.141 419 T CB 0.812 69.731 68.868 0.086 0.000 0.891 419 T HN 0.115 nan 8.240 nan 0.000 0.533 420 I N 4.913 125.545 120.570 0.104 0.000 2.357 420 I HA 0.085 4.256 4.170 0.001 0.000 0.300 420 I C 1.402 177.583 176.117 0.106 0.000 1.159 420 I CA -0.065 61.323 61.300 0.146 0.000 1.339 420 I CB -0.112 37.989 38.000 0.169 0.000 1.458 420 I HN 0.722 nan 8.210 nan 0.000 0.577 421 I N 4.831 125.448 120.570 0.077 0.000 2.193 421 I HA -0.094 4.076 4.170 0.001 0.000 0.240 421 I C 0.467 176.412 176.117 -0.286 0.000 1.084 421 I CA 1.441 62.671 61.300 -0.116 0.000 1.365 421 I CB 0.024 37.955 38.000 -0.115 0.000 1.064 421 I HN 0.290 nan 8.210 nan 0.000 0.410 422 F N 0.162 120.154 119.950 0.071 0.000 2.611 422 F HA 0.609 5.136 4.527 0.000 0.000 0.324 422 F C -0.071 175.795 175.800 0.109 0.000 1.061 422 F CA -0.899 57.118 58.000 0.027 0.000 0.954 422 F CB 1.778 40.829 39.000 0.085 0.000 1.301 422 F HN -0.177 nan 8.300 nan 0.000 0.482 423 M N 0.865 120.606 119.600 0.235 0.000 2.414 423 M HA 0.901 5.382 4.480 0.001 0.000 0.287 423 M C -1.159 175.203 176.300 0.103 0.000 1.181 423 M CA -0.428 54.888 55.300 0.027 0.000 0.933 423 M CB 2.355 34.924 32.600 -0.053 0.000 1.732 423 M HN 0.724 nan 8.290 nan 0.000 0.486 424 G N 1.285 110.088 108.800 0.004 0.000 2.548 424 G HA2 0.684 4.644 3.960 0.001 0.000 0.301 424 G HA3 0.684 4.644 3.960 0.001 0.000 0.301 424 G C -2.390 172.532 174.900 0.037 0.000 1.349 424 G CA -0.939 44.289 45.100 0.212 0.000 0.792 424 G HN 0.886 nan 8.290 nan 0.000 0.481 425 R N -0.256 120.275 120.500 0.052 0.000 2.564 425 R HA 0.541 4.882 4.340 0.001 0.000 0.284 425 R C -1.741 174.408 176.300 -0.252 0.000 1.031 425 R CA -0.492 55.562 56.100 -0.076 0.000 0.904 425 R CB 2.199 32.538 30.300 0.065 0.000 1.199 425 R HN 0.388 nan 8.270 nan 0.000 0.443 426 V N 4.457 124.038 119.914 -0.556 0.000 2.288 426 V HA 0.328 4.449 4.120 0.001 0.000 0.266 426 V C 0.819 176.619 176.094 -0.491 0.000 1.048 426 V CA 0.010 61.867 62.300 -0.739 0.000 0.842 426 V CB 0.846 31.831 31.823 -1.396 0.000 1.064 426 V HN 0.913 nan 8.190 nan 0.000 0.472 427 A N 4.365 127.023 122.820 -0.269 0.000 2.303 427 A HA 0.316 4.636 4.320 0.001 0.000 0.217 427 A C 0.712 178.236 177.584 -0.101 0.000 1.205 427 A CA 0.131 52.117 52.037 -0.085 0.000 0.875 427 A CB -0.042 18.929 19.000 -0.049 0.000 0.910 427 A HN 0.757 nan 8.150 nan 0.000 0.501 428 N N -0.039 118.460 118.700 -0.336 0.000 2.905 428 N HA 0.173 4.913 4.740 0.001 0.000 0.255 428 N C -3.213 172.010 175.510 -0.478 0.000 1.199 428 N CA -0.656 52.134 53.050 -0.434 0.000 0.911 428 N CB 1.792 40.161 38.487 -0.197 0.000 1.550 428 N HN -0.082 nan 8.380 nan 0.000 0.599 429 P HA 0.359 nan 4.420 nan 0.000 0.269 429 P C -0.764 176.400 177.300 -0.227 0.000 1.857 429 P CA -0.015 62.865 63.100 -0.366 0.000 1.213 429 P CB -0.191 31.293 31.700 -0.361 0.000 1.702 430 c N -0.259 118.223 118.600 -0.198 0.000 2.595 430 c HA 0.618 5.188 4.570 0.001 0.000 0.338 430 c C 1.295 175.344 174.090 -0.068 0.000 1.219 430 c CA -0.645 55.619 56.329 -0.108 0.000 1.811 430 c CB 1.894 44.346 42.510 -0.097 0.000 2.313 430 c HN 0.280 nan 8.230 nan 0.000 0.499 431 V N 0.000 119.890 119.914 -0.039 0.000 2.409 431 V HA 0.000 4.120 4.120 0.001 0.000 0.244 431 V CA 0.000 62.286 62.300 -0.024 0.000 1.235 431 V CB 0.000 31.816 31.823 -0.011 0.000 1.184 431 V HN 0.000 nan 8.190 nan 0.000 0.556