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 3bcb_1_A DATA FIRST_RESID 23 DATA SEQUENCE EARRAHEHLI RLLLEQGKCP EDGWDESTLE LFLHELAVMD SNNFLGNCGV DATA SEQUENCE GEREGRVASA LVARRHYRFI HGIGRSGDIS AVQPKAAGSS LLNKITNSLV DATA SEQUENCE LNVIKLAGVH SVASCFVVPM ATGMSLTLCF LTLRHKRPKA KYIIWPRIDQ DATA SEQUENCE KSCFKSMVTA GFEPVVIENV LEGDELRTDL KAVEAKIQEL GPEHILCLHS DATA SEQUENCE TTACFAPRVP DRLEELAVIC ANYDIPHVVN NAYGLQSSKC MHLIQQGARV DATA SEQUENCE GRIDAFVQSL DXNFMVPVGG AIIAGFNEPF IQDISKMYPG RASASPSLDV DATA SEQUENCE LITLLSLGCS GYRKLLKERK EMFVYLSTQL KKLAEAHNER LLQTPHNPIS DATA SEQUENCE LAMTLKTIDG HHDKAVTQLG SMLFTRQVSG ARAVPLGNVQ TVSGHTFRGF DATA SEQUENCE MSHADNYPCA YLNAAAAIGM KMQDVDLFIK RLDKCLNIVR KEQTR 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 23 E HA 0.000 nan 4.350 nan 0.000 0.291 23 E C 0.000 176.601 176.600 0.001 0.000 1.382 23 E CA 0.000 56.398 56.400 -0.004 0.000 0.976 23 E CB 0.000 29.702 29.700 0.004 0.000 0.812 24 A N 3.837 126.669 122.820 0.021 0.000 1.865 24 A HA -0.164 4.156 4.320 -0.001 0.000 0.217 24 A C 1.995 179.659 177.584 0.134 0.000 1.191 24 A CA 1.803 53.873 52.037 0.056 0.000 0.623 24 A CB -0.453 18.591 19.000 0.072 0.000 0.826 24 A HN 0.647 nan 8.150 nan 0.000 0.444 25 R N -0.698 119.869 120.500 0.112 0.000 2.096 25 R HA -0.083 4.256 4.340 -0.001 0.000 0.235 25 R C 2.453 178.816 176.300 0.106 0.000 1.127 25 R CA 1.328 57.504 56.100 0.127 0.000 0.968 25 R CB -0.271 30.060 30.300 0.051 0.000 0.861 25 R HN 0.520 nan 8.270 nan 0.000 0.440 26 R N -0.296 120.235 120.500 0.053 0.000 2.105 26 R HA -0.127 4.212 4.340 -0.001 0.000 0.239 26 R C 2.228 178.539 176.300 0.018 0.000 1.135 26 R CA 1.394 57.513 56.100 0.033 0.000 0.967 26 R CB -0.316 29.990 30.300 0.011 0.000 0.861 26 R HN 0.206 nan 8.270 nan 0.000 0.442 27 A N 0.811 123.610 122.820 -0.035 0.000 1.902 27 A HA -0.183 4.136 4.320 -0.001 0.000 0.217 27 A C 1.804 179.288 177.584 -0.167 0.000 1.181 27 A CA 1.278 53.239 52.037 -0.127 0.000 0.623 27 A CB -0.637 18.233 19.000 -0.216 0.000 0.818 27 A HN 0.338 nan 8.150 nan 0.000 0.443 28 H N -0.384 118.626 119.070 -0.100 0.000 2.357 28 H HA -0.082 4.473 4.556 -0.001 0.000 0.301 28 H C 2.054 177.277 175.328 -0.175 0.000 1.082 28 H CA 1.681 57.617 56.048 -0.186 0.000 1.342 28 H CB -0.197 29.474 29.762 -0.152 0.000 1.389 28 H HN 0.676 nan 8.280 nan 0.000 0.511 29 E N -0.025 120.206 120.200 0.052 0.000 2.085 29 E HA -0.200 4.149 4.350 -0.001 0.000 0.194 29 E C 2.222 178.826 176.600 0.007 0.000 0.994 29 E CA 0.662 57.080 56.400 0.029 0.000 0.801 29 E CB -0.168 29.563 29.700 0.052 0.000 0.743 29 E HN 0.531 nan 8.360 nan 0.000 0.453 30 H N 1.229 120.257 119.070 -0.070 0.000 2.319 30 H HA -0.157 4.399 4.556 -0.001 0.000 0.297 30 H C 2.153 177.430 175.328 -0.085 0.000 1.097 30 H CA 1.562 57.569 56.048 -0.068 0.000 1.285 30 H CB -0.103 29.613 29.762 -0.076 0.000 1.368 30 H HN 0.138 nan 8.280 nan 0.000 0.495 31 L N 0.147 121.270 121.223 -0.167 0.000 2.046 31 L HA -0.189 4.150 4.340 -0.001 0.000 0.208 31 L C 2.916 179.684 176.870 -0.170 0.000 1.077 31 L CA 1.035 55.726 54.840 -0.247 0.000 0.747 31 L CB -0.362 41.367 42.059 -0.550 0.000 0.896 31 L HN 0.252 nan 8.230 nan 0.000 0.432 32 I N -0.500 119.923 120.570 -0.244 0.000 2.202 32 I HA -0.284 3.885 4.170 -0.001 0.000 0.242 32 I C 2.860 178.960 176.117 -0.028 0.000 1.091 32 I CA 1.162 62.390 61.300 -0.119 0.000 1.368 32 I CB -0.281 37.688 38.000 -0.051 0.000 1.058 32 I HN 0.185 nan 8.210 nan 0.000 0.410 33 R N 0.655 121.125 120.500 -0.050 0.000 2.091 33 R HA -0.199 4.140 4.340 -0.001 0.000 0.238 33 R C 2.344 178.599 176.300 -0.075 0.000 1.136 33 R CA 1.395 57.470 56.100 -0.042 0.000 0.959 33 R CB -0.204 30.065 30.300 -0.052 0.000 0.856 33 R HN 0.195 nan 8.270 nan 0.000 0.437 34 L N 0.999 122.129 121.223 -0.156 0.000 1.990 34 L HA -0.199 4.140 4.340 -0.001 0.000 0.213 34 L C 2.233 179.076 176.870 -0.045 0.000 1.072 34 L CA 1.560 56.319 54.840 -0.134 0.000 0.755 34 L CB -1.195 40.748 42.059 -0.192 0.000 0.889 34 L HN 0.328 nan 8.230 nan 0.000 0.432 35 L N -0.603 120.619 121.223 -0.000 0.000 2.012 35 L HA -0.221 4.118 4.340 -0.001 0.000 0.210 35 L C 2.428 179.285 176.870 -0.020 0.000 1.073 35 L CA 1.766 56.594 54.840 -0.020 0.000 0.748 35 L CB -0.574 41.460 42.059 -0.042 0.000 0.891 35 L HN 0.224 nan 8.230 nan 0.000 0.431 36 L N -0.977 120.251 121.223 0.009 0.000 2.093 36 L HA -0.166 4.174 4.340 -0.001 0.000 0.208 36 L C 2.493 179.375 176.870 0.021 0.000 1.085 36 L CA 1.282 56.148 54.840 0.043 0.000 0.755 36 L CB -0.592 41.518 42.059 0.085 0.000 0.904 36 L HN 0.365 nan 8.230 nan 0.000 0.435 37 E N 0.141 120.343 120.200 0.003 0.000 2.028 37 E HA -0.237 4.112 4.350 -0.001 0.000 0.190 37 E C 1.981 178.579 176.600 -0.004 0.000 0.984 37 E CA 1.439 57.838 56.400 -0.001 0.000 0.800 37 E CB 0.030 29.723 29.700 -0.012 0.000 0.758 37 E HN 0.610 nan 8.360 nan 0.000 0.448 38 Q N -0.788 119.005 119.800 -0.012 0.000 2.281 38 Q HA 0.178 4.517 4.340 -0.001 0.000 0.215 38 Q C 1.024 177.013 176.000 -0.019 0.000 0.867 38 Q CA 0.552 56.348 55.803 -0.012 0.000 0.940 38 Q CB 0.935 29.666 28.738 -0.012 0.000 1.111 38 Q HN 0.205 nan 8.270 nan 0.000 0.513 39 G N 1.753 110.538 108.800 -0.025 0.000 2.225 39 G HA2 -0.312 3.647 3.960 -0.001 0.000 0.267 39 G HA3 -0.312 3.647 3.960 -0.001 0.000 0.267 39 G C -0.292 174.572 174.900 -0.059 0.000 1.024 39 G CA 0.845 45.922 45.100 -0.040 0.000 0.784 39 G HN 0.333 nan 8.290 nan 0.000 0.507 40 K N -1.136 119.230 120.400 -0.058 0.000 2.166 40 K HA 0.538 4.857 4.320 -0.001 0.000 0.245 40 K C 0.460 177.004 176.600 -0.093 0.000 0.967 40 K CA -0.832 55.418 56.287 -0.060 0.000 0.863 40 K CB 1.702 34.183 32.500 -0.031 0.000 1.107 40 K HN 0.137 nan 8.250 nan 0.000 0.436 41 C N 3.954 123.196 119.300 -0.096 0.000 2.648 41 C HA 0.182 4.641 4.460 -0.001 0.000 0.419 41 C C -1.909 173.033 174.990 -0.080 0.000 1.352 41 C CA -1.407 57.535 59.018 -0.127 0.000 1.816 41 C CB -0.636 27.044 27.740 -0.099 0.000 2.598 41 C HN 0.525 nan 8.230 nan 0.000 0.598 42 P HA 0.092 nan 4.420 nan 0.000 0.269 42 P C 0.250 177.562 177.300 0.020 0.000 1.209 42 P CA 0.395 63.500 63.100 0.008 0.000 0.776 42 P CB 0.636 32.387 31.700 0.084 0.000 0.876 43 E N 2.205 122.434 120.200 0.048 0.000 2.051 43 E HA -0.160 4.189 4.350 -0.001 0.000 0.192 43 E C -0.061 176.574 176.600 0.058 0.000 0.991 43 E CA 1.648 58.076 56.400 0.048 0.000 0.799 43 E CB -0.269 29.460 29.700 0.048 0.000 0.748 43 E HN 0.403 nan 8.360 nan 0.000 0.449 44 D N -0.146 120.301 120.400 0.078 0.000 2.181 44 D HA 0.365 5.004 4.640 -0.001 0.000 0.248 44 D C -0.123 176.249 176.300 0.121 0.000 1.020 44 D CA 0.058 54.110 54.000 0.087 0.000 0.891 44 D CB 1.353 42.202 40.800 0.082 0.000 1.187 44 D HN 0.260 nan 8.370 nan 0.000 0.443 45 G N 0.670 109.534 108.800 0.107 0.000 2.432 45 G HA2 0.086 4.045 3.960 -0.001 0.000 0.239 45 G HA3 0.086 4.045 3.960 -0.001 0.000 0.239 45 G C -0.379 174.674 174.900 0.255 0.000 1.291 45 G CA -0.432 44.743 45.100 0.124 0.000 0.863 45 G HN 0.278 nan 8.290 nan 0.000 0.560 46 W N 0.693 121.993 121.300 -0.000 0.000 2.181 46 W HA 0.210 4.870 4.660 -0.001 0.000 0.335 46 W C 0.430 176.963 176.519 0.023 0.000 1.310 46 W CA -0.851 56.495 57.345 0.003 0.000 1.226 46 W CB 0.178 29.633 29.460 -0.009 0.000 1.155 46 W HN 0.406 nan 8.180 nan 0.000 0.565 47 D N 1.469 121.995 120.400 0.211 0.000 2.449 47 D HA -0.086 4.553 4.640 -0.001 0.000 0.236 47 D C 1.377 177.788 176.300 0.185 0.000 1.149 47 D CA 0.353 54.443 54.000 0.149 0.000 0.878 47 D CB 0.563 41.419 40.800 0.095 0.000 1.198 47 D HN 0.459 nan 8.370 nan 0.000 0.446 48 E N 0.387 120.674 120.200 0.145 0.000 2.130 48 E HA -0.232 4.117 4.350 -0.001 0.000 0.196 48 E C 1.892 178.564 176.600 0.119 0.000 0.998 48 E CA 1.520 58.002 56.400 0.136 0.000 0.806 48 E CB 0.092 29.856 29.700 0.107 0.000 0.738 48 E HN 0.512 nan 8.360 nan 0.000 0.459 49 S N 0.076 115.835 115.700 0.098 0.000 2.359 49 S HA -0.180 4.289 4.470 -0.001 0.000 0.224 49 S C 2.146 176.758 174.600 0.020 0.000 1.035 49 S CA 1.736 59.965 58.200 0.049 0.000 1.018 49 S CB -0.758 62.487 63.200 0.075 0.000 0.876 49 S HN 0.128 nan 8.310 nan 0.000 0.448 50 T N 2.940 117.563 114.554 0.114 0.000 2.746 50 T HA 0.016 4.365 4.350 -0.001 0.000 0.267 50 T C 1.724 176.501 174.700 0.129 0.000 1.039 50 T CA 1.341 63.476 62.100 0.058 0.000 1.142 50 T CB -0.639 68.112 68.868 -0.195 0.000 0.866 50 T HN 0.297 nan 8.240 nan 0.000 0.444 51 L N 1.446 122.870 121.223 0.334 0.000 2.017 51 L HA -0.040 4.299 4.340 -0.001 0.000 0.208 51 L C 2.236 179.274 176.870 0.280 0.000 1.073 51 L CA 1.825 56.959 54.840 0.490 0.000 0.745 51 L CB -0.651 41.622 42.059 0.356 0.000 0.894 51 L HN 0.239 nan 8.230 nan 0.000 0.432 52 E N -0.949 119.317 120.200 0.110 0.000 2.152 52 E HA -0.180 4.169 4.350 -0.001 0.000 0.192 52 E C 2.132 178.630 176.600 -0.170 0.000 0.983 52 E CA 0.874 57.246 56.400 -0.047 0.000 0.818 52 E CB -0.141 29.520 29.700 -0.065 0.000 0.758 52 E HN 0.368 nan 8.360 nan 0.000 0.467 53 L N 0.557 121.737 121.223 -0.071 0.000 2.017 53 L HA -0.183 4.156 4.340 -0.001 0.000 0.208 53 L C 2.121 179.071 176.870 0.133 0.000 1.073 53 L CA 1.511 56.328 54.840 -0.039 0.000 0.745 53 L CB -0.547 41.446 42.059 -0.110 0.000 0.894 53 L HN 0.085 nan 8.230 nan 0.000 0.432 54 F N -0.403 119.587 119.950 0.067 0.000 2.095 54 F HA -0.254 4.272 4.527 -0.001 0.000 0.298 54 F C 2.157 178.075 175.800 0.198 0.000 1.104 54 F CA 1.810 59.909 58.000 0.166 0.000 1.232 54 F CB -0.512 38.693 39.000 0.342 0.000 0.987 54 F HN 0.019 nan 8.300 nan 0.000 0.475 55 L N -0.760 120.522 121.223 0.099 0.000 2.017 55 L HA -0.265 4.075 4.340 -0.001 0.000 0.208 55 L C 2.645 179.635 176.870 0.199 0.000 1.073 55 L CA 1.721 56.616 54.840 0.092 0.000 0.745 55 L CB -1.130 40.942 42.059 0.021 0.000 0.894 55 L HN 0.261 nan 8.230 nan 0.000 0.432 56 H N -0.513 118.582 119.070 0.041 0.000 2.352 56 H HA -0.149 4.406 4.556 -0.001 0.000 0.299 56 H C 2.215 177.524 175.328 -0.032 0.000 1.097 56 H CA 0.936 56.988 56.048 0.006 0.000 1.311 56 H CB 0.258 30.049 29.762 0.048 0.000 1.377 56 H HN 0.342 nan 8.280 nan 0.000 0.504 57 E N 0.968 121.238 120.200 0.117 0.000 2.051 57 E HA -0.146 4.204 4.350 -0.001 0.000 0.192 57 E C 2.508 179.115 176.600 0.012 0.000 0.991 57 E CA 0.518 56.953 56.400 0.058 0.000 0.799 57 E CB -0.263 29.488 29.700 0.085 0.000 0.748 57 E HN 0.481 nan 8.360 nan 0.000 0.449 58 L N 0.490 121.681 121.223 -0.053 0.000 2.017 58 L HA -0.178 4.161 4.340 -0.001 0.000 0.208 58 L C 2.619 179.537 176.870 0.081 0.000 1.073 58 L CA 1.225 56.074 54.840 0.015 0.000 0.745 58 L CB -0.586 41.470 42.059 -0.005 0.000 0.894 58 L HN 0.079 nan 8.230 nan 0.000 0.432 59 A N -0.449 122.271 122.820 -0.166 0.000 1.940 59 A HA -0.175 4.144 4.320 -0.001 0.000 0.219 59 A C 2.316 179.801 177.584 -0.164 0.000 1.176 59 A CA 1.719 53.453 52.037 -0.505 0.000 0.631 59 A CB -0.898 17.578 19.000 -0.873 0.000 0.814 59 A HN 0.219 nan 8.150 nan 0.000 0.446 60 V N -0.182 119.696 119.914 -0.060 0.000 2.453 60 V HA -0.326 3.794 4.120 -0.001 0.000 0.252 60 V C 2.499 178.709 176.094 0.192 0.000 1.068 60 V CA 2.287 64.617 62.300 0.051 0.000 1.070 60 V CB -0.649 31.200 31.823 0.043 0.000 0.664 60 V HN 0.624 nan 8.190 nan 0.000 0.461 61 M N -1.066 118.634 119.600 0.167 0.000 2.492 61 M HA 0.016 4.496 4.480 -0.001 0.000 0.262 61 M C 0.155 176.613 176.300 0.263 0.000 1.090 61 M CA 0.577 56.038 55.300 0.268 0.000 1.110 61 M CB -0.128 32.566 32.600 0.156 0.000 1.407 61 M HN 0.210 nan 8.290 nan 0.000 0.470 62 D N 0.246 120.690 120.400 0.073 0.000 2.308 62 D HA 0.058 4.697 4.640 -0.001 0.000 0.251 62 D C 1.105 177.072 176.300 -0.555 0.000 1.127 62 D CA 0.038 53.967 54.000 -0.119 0.000 0.876 62 D CB 1.339 42.138 40.800 -0.002 0.000 1.176 62 D HN 0.130 nan 8.370 nan 0.000 0.446 63 S N 2.803 117.969 115.700 -0.891 0.000 2.400 63 S HA -0.238 4.231 4.470 -0.001 0.000 0.232 63 S C 1.431 175.592 174.600 -0.732 0.000 1.025 63 S CA 0.914 58.177 58.200 -1.562 0.000 0.993 63 S CB -0.306 62.379 63.200 -0.859 0.000 0.808 63 S HN 0.613 nan 8.310 nan 0.000 0.478 64 N N 2.647 121.187 118.700 -0.266 0.000 2.272 64 N HA -0.147 4.592 4.740 -0.001 0.000 0.185 64 N C 0.778 176.223 175.510 -0.108 0.000 1.014 64 N CA 1.300 54.281 53.050 -0.114 0.000 0.870 64 N CB -0.811 37.628 38.487 -0.080 0.000 0.975 64 N HN 0.454 nan 8.380 nan 0.000 0.433 65 N N -0.137 118.488 118.700 -0.125 0.000 2.336 65 N HA 0.060 4.799 4.740 -0.001 0.000 0.189 65 N C -0.413 175.189 175.510 0.153 0.000 1.113 65 N CA -0.106 52.934 53.050 -0.017 0.000 0.858 65 N CB -0.095 38.366 38.487 -0.043 0.000 0.970 65 N HN 0.071 nan 8.380 nan 0.000 0.471 66 F N 1.519 121.460 119.950 -0.014 0.000 2.578 66 F HA 0.067 4.594 4.527 -0.001 0.000 0.376 66 F C 2.004 177.795 175.800 -0.014 0.000 1.085 66 F CA -0.741 57.252 58.000 -0.013 0.000 1.260 66 F CB 0.246 39.243 39.000 -0.005 0.000 1.095 66 F HN -0.132 nan 8.300 nan 0.000 0.573 67 L N 2.486 123.803 121.223 0.158 0.000 2.046 67 L HA -0.139 4.200 4.340 -0.001 0.000 0.208 67 L C 2.216 179.129 176.870 0.071 0.000 1.077 67 L CA 1.642 56.527 54.840 0.075 0.000 0.747 67 L CB -0.744 41.332 42.059 0.028 0.000 0.896 67 L HN 0.814 nan 8.230 nan 0.000 0.432 68 G N -0.858 107.987 108.800 0.075 0.000 3.141 68 G HA2 -0.088 3.871 3.960 -0.001 0.000 0.218 68 G HA3 -0.088 3.871 3.960 -0.001 0.000 0.218 68 G C 0.510 175.466 174.900 0.093 0.000 1.170 68 G CA -0.363 44.773 45.100 0.059 0.000 0.769 68 G HN 0.266 nan 8.290 nan 0.000 0.546 69 N N 0.508 119.294 118.700 0.144 0.000 2.492 69 N HA 0.163 4.902 4.740 -0.001 0.000 0.260 69 N C -0.165 175.386 175.510 0.068 0.000 1.215 69 N CA 0.157 53.288 53.050 0.135 0.000 0.923 69 N CB 1.023 39.592 38.487 0.136 0.000 1.092 69 N HN 0.218 nan 8.380 nan 0.000 0.448 70 C N 1.249 120.582 119.300 0.054 0.000 2.563 70 C HA 0.903 5.362 4.460 -0.001 0.000 0.314 70 C C 0.292 175.297 174.990 0.024 0.000 1.199 70 C CA -0.839 58.197 59.018 0.031 0.000 1.564 70 C CB 0.670 28.425 27.740 0.025 0.000 2.173 70 C HN 0.673 nan 8.230 nan 0.000 0.485 71 G N 1.345 110.153 108.800 0.014 0.000 2.544 71 G HA2 0.612 4.572 3.960 -0.001 0.000 0.313 71 G HA3 0.612 4.572 3.960 -0.001 0.000 0.313 71 G C -0.123 174.782 174.900 0.008 0.000 1.316 71 G CA -0.104 45.003 45.100 0.011 0.000 0.944 71 G HN 1.970 nan 8.290 nan 0.000 0.489 72 V N 0.589 120.508 119.914 0.008 0.000 3.078 72 V HA 0.649 4.768 4.120 -0.001 0.000 0.344 72 V C 0.706 176.803 176.094 0.005 0.000 1.409 72 V CA 0.280 62.584 62.300 0.006 0.000 1.146 72 V CB 0.135 31.961 31.823 0.006 0.000 1.126 72 V HN 0.793 nan 8.190 nan 0.000 0.513 73 G N 0.797 109.601 108.800 0.008 0.000 2.705 73 G HA2 0.562 4.521 3.960 -0.001 0.000 0.299 73 G HA3 0.562 4.521 3.960 -0.001 0.000 0.299 73 G C 0.467 175.371 174.900 0.008 0.000 1.315 73 G CA 0.380 45.485 45.100 0.009 0.000 1.045 73 G HN 0.288 nan 8.290 nan 0.000 0.517 74 E N -0.936 119.269 120.200 0.008 0.000 2.447 74 E HA 0.005 4.354 4.350 -0.001 0.000 0.195 74 E C 0.898 177.502 176.600 0.006 0.000 1.028 74 E CA 0.049 56.451 56.400 0.004 0.000 0.876 74 E CB 0.471 30.173 29.700 0.003 0.000 0.885 74 E HN 0.401 nan 8.360 nan 0.000 0.500 75 R N 1.076 121.590 120.500 0.023 0.000 2.564 75 R HA 0.136 4.475 4.340 -0.001 0.000 0.282 75 R C -0.145 176.207 176.300 0.086 0.000 1.573 75 R CA -0.128 55.993 56.100 0.036 0.000 1.588 75 R CB 0.483 30.818 30.300 0.057 0.000 1.154 75 R HN -0.183 nan 8.270 nan 0.000 0.606 76 E N 1.306 121.515 120.200 0.016 0.000 2.474 76 E HA 0.114 4.463 4.350 -0.001 0.000 0.195 76 E C 0.796 177.306 176.600 -0.149 0.000 1.039 76 E CA 0.475 56.893 56.400 0.030 0.000 0.881 76 E CB 1.178 30.880 29.700 0.004 0.000 0.970 76 E HN 0.890 nan 8.360 nan 0.000 0.486 77 G N 2.712 111.293 108.800 -0.364 0.000 2.249 77 G HA2 -0.360 3.599 3.960 -0.001 0.000 0.273 77 G HA3 -0.360 3.599 3.960 -0.001 0.000 0.273 77 G C 0.139 174.886 174.900 -0.254 0.000 1.036 77 G CA 0.379 45.160 45.100 -0.532 0.000 0.824 77 G HN 0.197 nan 8.290 nan 0.000 0.504 78 R N -1.106 119.302 120.500 -0.153 0.000 2.643 78 R HA 0.510 4.849 4.340 -0.001 0.000 0.270 78 R C -0.078 176.170 176.300 -0.086 0.000 1.061 78 R CA 0.007 56.050 56.100 -0.096 0.000 1.107 78 R CB 1.699 31.962 30.300 -0.063 0.000 0.999 78 R HN 0.377 nan 8.270 nan 0.000 0.460 79 V N 2.037 121.912 119.914 -0.065 0.000 2.524 79 V HA 0.373 4.492 4.120 -0.001 0.000 0.297 79 V C 0.421 176.494 176.094 -0.033 0.000 1.035 79 V CA -0.146 62.125 62.300 -0.049 0.000 0.867 79 V CB 1.532 33.327 31.823 -0.046 0.000 1.004 79 V HN 0.951 nan 8.190 nan 0.000 0.426 80 A N 4.900 127.705 122.820 -0.025 0.000 1.897 80 A HA 0.146 4.465 4.320 -0.001 0.000 0.215 80 A C 1.420 178.994 177.584 -0.016 0.000 1.181 80 A CA 1.397 53.422 52.037 -0.019 0.000 0.620 80 A CB -0.187 18.803 19.000 -0.015 0.000 0.821 80 A HN 1.185 nan 8.150 nan 0.000 0.443 81 S N -0.999 114.694 115.700 -0.012 0.000 2.442 81 S HA 0.539 5.008 4.470 -0.001 0.000 0.297 81 S C 1.018 175.608 174.600 -0.016 0.000 1.131 81 S CA -0.024 58.169 58.200 -0.011 0.000 1.092 81 S CB 1.353 64.552 63.200 -0.003 0.000 0.998 81 S HN 0.751 nan 8.310 nan 0.000 0.478 82 A N 5.503 128.309 122.820 -0.023 0.000 1.940 82 A HA 0.003 4.322 4.320 -0.001 0.000 0.219 82 A C 1.988 179.547 177.584 -0.040 0.000 1.176 82 A CA 1.314 53.331 52.037 -0.034 0.000 0.631 82 A CB -0.781 18.198 19.000 -0.035 0.000 0.814 82 A HN 0.891 nan 8.150 nan 0.000 0.446 83 L N -0.657 120.546 121.223 -0.034 0.000 2.042 83 L HA -0.184 4.155 4.340 -0.001 0.000 0.210 83 L C 2.522 179.365 176.870 -0.046 0.000 1.076 83 L CA 1.229 56.042 54.840 -0.044 0.000 0.749 83 L CB -0.672 41.367 42.059 -0.033 0.000 0.893 83 L HN 0.265 nan 8.230 nan 0.000 0.432 84 V N 0.002 119.912 119.914 -0.008 0.000 2.307 84 V HA -0.252 3.867 4.120 -0.001 0.000 0.245 84 V C 2.773 178.919 176.094 0.087 0.000 1.045 84 V CA 1.745 64.078 62.300 0.055 0.000 1.024 84 V CB -0.852 31.018 31.823 0.080 0.000 0.651 84 V HN 0.464 nan 8.190 nan 0.000 0.449 85 A N 0.179 123.015 122.820 0.027 0.000 1.883 85 A HA -0.252 4.068 4.320 -0.001 0.000 0.217 85 A C 2.370 179.932 177.584 -0.038 0.000 1.186 85 A CA 2.086 54.126 52.037 0.005 0.000 0.624 85 A CB -0.495 18.481 19.000 -0.039 0.000 0.822 85 A HN 0.530 nan 8.150 nan 0.000 0.444 86 R N -0.638 119.806 120.500 -0.094 0.000 2.115 86 R HA -0.079 4.260 4.340 -0.001 0.000 0.226 86 R C 2.439 178.578 176.300 -0.268 0.000 1.100 86 R CA 1.262 57.257 56.100 -0.176 0.000 0.980 86 R CB -0.319 29.888 30.300 -0.154 0.000 0.875 86 R HN 0.759 nan 8.270 nan 0.000 0.445 87 R N 0.275 120.636 120.500 -0.232 0.000 2.148 87 R HA -0.095 4.245 4.340 -0.001 0.000 0.227 87 R C 0.727 176.832 176.300 -0.326 0.000 1.103 87 R CA 1.422 57.332 56.100 -0.316 0.000 0.983 87 R CB -0.195 29.911 30.300 -0.322 0.000 0.874 87 R HN 0.334 nan 8.270 nan 0.000 0.451 88 H N -0.298 118.783 119.070 0.019 0.000 2.519 88 H HA 0.077 4.633 4.556 -0.001 0.000 0.289 88 H C -0.340 175.187 175.328 0.332 0.000 1.040 88 H CA -0.110 56.048 56.048 0.182 0.000 1.165 88 H CB -0.098 29.745 29.762 0.135 0.000 1.462 88 H HN 0.240 nan 8.280 nan 0.000 0.555 89 Y N 0.864 121.247 120.300 0.138 0.000 3.721 89 Y HA -0.373 4.176 4.550 -0.001 0.000 0.218 89 Y C 0.728 176.457 175.900 -0.286 0.000 1.188 89 Y CA 0.824 58.931 58.100 0.012 0.000 1.607 89 Y CB -2.084 36.504 38.460 0.213 0.000 1.496 89 Y HN 0.340 nan 8.280 nan 0.000 0.626 90 R N -3.830 116.617 120.500 -0.089 0.000 3.878 90 R HA -0.232 4.107 4.340 -0.001 0.000 0.330 90 R C -0.752 175.407 176.300 -0.235 0.000 1.186 90 R CA 1.087 57.077 56.100 -0.183 0.000 0.885 90 R CB -2.324 27.823 30.300 -0.254 0.000 1.377 90 R HN 0.278 nan 8.270 nan 0.000 0.523 91 F N 0.730 120.721 119.950 0.069 0.000 2.375 91 F HA 0.232 4.759 4.527 -0.001 0.000 0.362 91 F C 1.734 177.516 175.800 -0.029 0.000 1.129 91 F CA -0.623 57.393 58.000 0.028 0.000 1.154 91 F CB 0.661 39.689 39.000 0.047 0.000 1.205 91 F HN -0.078 nan 8.300 nan 0.000 0.513 92 I N 0.951 121.565 120.570 0.074 0.000 4.124 92 I HA 0.010 4.179 4.170 -0.001 0.000 0.311 92 I C 1.625 177.679 176.117 -0.105 0.000 1.259 92 I CA 0.419 61.674 61.300 -0.075 0.000 1.315 92 I CB -0.908 36.991 38.000 -0.169 0.000 1.223 92 I HN 0.611 nan 8.210 nan 0.000 0.441 93 H N 1.636 120.704 119.070 -0.003 0.000 2.559 93 H HA 0.233 4.788 4.556 -0.001 0.000 0.273 93 H C 1.509 176.819 175.328 -0.030 0.000 1.000 93 H CA 0.815 56.848 56.048 -0.025 0.000 1.195 93 H CB 0.077 29.819 29.762 -0.035 0.000 1.368 93 H HN 0.464 nan 8.280 nan 0.000 0.592 94 G N 0.899 109.738 108.800 0.064 0.000 2.562 94 G HA2 -0.299 3.661 3.960 -0.001 0.000 0.250 94 G HA3 -0.299 3.661 3.960 -0.001 0.000 0.250 94 G C -0.082 174.810 174.900 -0.014 0.000 1.269 94 G CA -0.073 45.028 45.100 0.001 0.000 0.919 94 G HN 0.453 nan 8.290 nan 0.000 0.574 95 I N -1.996 118.542 120.570 -0.053 0.000 2.646 95 I HA 0.801 4.971 4.170 -0.001 0.000 0.299 95 I C 0.706 176.773 176.117 -0.083 0.000 1.036 95 I CA -0.302 60.950 61.300 -0.080 0.000 1.074 95 I CB 1.576 39.505 38.000 -0.119 0.000 1.258 95 I HN 2.689 nan 8.210 nan 0.000 0.430 96 G N 3.983 112.733 108.800 -0.083 0.000 2.710 96 G HA2 -0.101 3.858 3.960 -0.001 0.000 0.668 96 G HA3 -0.101 3.858 3.960 -0.001 0.000 0.668 96 G C -0.826 174.040 174.900 -0.057 0.000 1.320 96 G CA -0.824 44.227 45.100 -0.082 0.000 0.860 96 G HN 0.933 nan 8.290 nan 0.000 0.538 97 R N -0.603 119.865 120.500 -0.052 0.000 2.856 97 R HA 0.699 5.038 4.340 -0.001 0.000 0.258 97 R C 1.718 178.007 176.300 -0.018 0.000 1.066 97 R CA -0.131 55.946 56.100 -0.038 0.000 1.045 97 R CB 1.338 31.612 30.300 -0.044 0.000 1.178 97 R HN 0.662 nan 8.270 nan 0.000 0.499 98 S N 0.238 115.931 115.700 -0.011 0.000 2.374 98 S HA -0.135 4.334 4.470 -0.001 0.000 0.227 98 S C 1.595 176.195 174.600 0.001 0.000 1.037 98 S CA 1.973 60.174 58.200 0.002 0.000 1.024 98 S CB -0.344 62.854 63.200 -0.003 0.000 0.861 98 S HN 0.801 nan 8.310 nan 0.000 0.456 99 G N -0.701 108.091 108.800 -0.013 0.000 3.042 99 G HA2 0.202 4.161 3.960 -0.001 0.000 0.212 99 G HA3 0.202 4.161 3.960 -0.001 0.000 0.212 99 G C -0.279 174.605 174.900 -0.027 0.000 1.166 99 G CA 0.200 45.289 45.100 -0.019 0.000 0.767 99 G HN 0.494 nan 8.290 nan 0.000 0.546 100 D N -0.812 119.571 120.400 -0.029 0.000 2.301 100 D HA 0.010 4.649 4.640 -0.001 0.000 0.203 100 D C 0.680 176.934 176.300 -0.077 0.000 1.300 100 D CA -0.656 53.309 54.000 -0.057 0.000 0.899 100 D CB 0.341 41.099 40.800 -0.071 0.000 1.597 100 D HN -0.049 nan 8.370 nan 0.000 0.538 101 I N 2.315 122.825 120.570 -0.099 0.000 2.614 101 I HA -0.191 3.978 4.170 -0.001 0.000 0.258 101 I C 1.655 177.655 176.117 -0.195 0.000 1.189 101 I CA 1.409 62.610 61.300 -0.165 0.000 1.462 101 I CB 0.297 38.130 38.000 -0.278 0.000 1.092 101 I HN 0.347 nan 8.210 nan 0.000 0.442 102 S N 0.290 115.867 115.700 -0.205 0.000 2.528 102 S HA 0.267 4.736 4.470 -0.001 0.000 0.219 102 S C 1.037 175.558 174.600 -0.131 0.000 0.985 102 S CA -0.015 58.067 58.200 -0.196 0.000 0.914 102 S CB -0.148 62.907 63.200 -0.240 0.000 0.776 102 S HN 0.288 nan 8.310 nan 0.000 0.526 103 A N 1.951 124.706 122.820 -0.108 0.000 2.388 103 A HA 0.580 4.899 4.320 -0.001 0.000 0.257 103 A C 0.283 177.824 177.584 -0.072 0.000 1.095 103 A CA -0.496 51.493 52.037 -0.080 0.000 0.791 103 A CB 0.259 19.218 19.000 -0.068 0.000 1.029 103 A HN 0.329 nan 8.150 nan 0.000 0.489 104 V N 2.546 122.425 119.914 -0.059 0.000 2.617 104 V HA 0.021 4.140 4.120 -0.001 0.000 0.304 104 V C 0.629 176.691 176.094 -0.054 0.000 1.040 104 V CA 0.533 62.803 62.300 -0.050 0.000 1.149 104 V CB 0.732 32.534 31.823 -0.036 0.000 0.914 104 V HN 0.941 nan 8.190 nan 0.000 0.487 105 Q N 9.489 129.253 119.800 -0.061 0.000 2.349 105 Q HA 0.298 4.637 4.340 -0.001 0.000 0.254 105 Q C -1.632 174.316 176.000 -0.085 0.000 0.980 105 Q CA -1.941 53.814 55.803 -0.081 0.000 0.924 105 Q CB 1.518 30.198 28.738 -0.097 0.000 1.209 105 Q HN 0.408 nan 8.270 nan 0.000 0.445 106 P HA -0.156 nan 4.420 nan 0.000 0.220 106 P C 0.137 177.378 177.300 -0.098 0.000 1.148 106 P CA 1.168 64.233 63.100 -0.059 0.000 0.803 106 P CB 0.404 32.079 31.700 -0.043 0.000 0.782 107 K N -0.589 119.698 120.400 -0.189 0.000 2.432 107 K HA 0.173 4.492 4.320 -0.001 0.000 0.196 107 K C 0.789 177.144 176.600 -0.408 0.000 1.038 107 K CA 0.531 56.620 56.287 -0.330 0.000 0.986 107 K CB 0.221 32.434 32.500 -0.478 0.000 0.782 107 K HN 0.035 nan 8.250 nan 0.000 0.485 108 A N 0.159 122.825 122.820 -0.258 0.000 3.370 108 A HA 0.487 4.806 4.320 -0.001 0.000 0.295 108 A C 0.644 178.205 177.584 -0.038 0.000 1.030 108 A CA -0.217 51.735 52.037 -0.142 0.000 0.883 108 A CB 0.424 19.363 19.000 -0.101 0.000 1.191 108 A HN 0.106 nan 8.150 nan 0.000 0.507 109 A N 0.373 123.190 122.820 -0.006 0.000 1.940 109 A HA 0.112 4.431 4.320 -0.001 0.000 0.219 109 A C 2.155 179.771 177.584 0.054 0.000 1.176 109 A CA 2.432 54.490 52.037 0.034 0.000 0.631 109 A CB -0.706 18.339 19.000 0.075 0.000 0.814 109 A HN 1.215 nan 8.150 nan 0.000 0.446 110 G N -0.945 107.910 108.800 0.093 0.000 2.404 110 G HA2 -0.117 3.843 3.960 -0.001 0.000 0.215 110 G HA3 -0.117 3.843 3.960 -0.001 0.000 0.215 110 G C 1.810 176.784 174.900 0.122 0.000 1.174 110 G CA 1.218 46.400 45.100 0.137 0.000 0.780 110 G HN 0.487 nan 8.290 nan 0.000 0.537 111 S N 0.871 116.653 115.700 0.136 0.000 2.399 111 S HA -0.085 4.384 4.470 -0.001 0.000 0.231 111 S C 2.738 177.301 174.600 -0.061 0.000 1.022 111 S CA 1.305 59.510 58.200 0.009 0.000 0.983 111 S CB -0.169 63.075 63.200 0.074 0.000 0.803 111 S HN 0.372 nan 8.310 nan 0.000 0.480 112 S N 1.640 117.323 115.700 -0.028 0.000 2.356 112 S HA -0.027 4.442 4.470 -0.001 0.000 0.223 112 S C 1.787 176.361 174.600 -0.043 0.000 1.032 112 S CA 0.821 58.996 58.200 -0.043 0.000 1.005 112 S CB -0.438 62.743 63.200 -0.031 0.000 0.867 112 S HN 0.310 nan 8.310 nan 0.000 0.449 113 L N 2.155 123.366 121.223 -0.020 0.000 2.046 113 L HA -0.001 4.338 4.340 -0.001 0.000 0.208 113 L C 2.067 178.919 176.870 -0.031 0.000 1.077 113 L CA 1.391 56.229 54.840 -0.003 0.000 0.747 113 L CB -0.847 41.231 42.059 0.032 0.000 0.896 113 L HN 0.248 nan 8.230 nan 0.000 0.432 114 L N -0.011 121.152 121.223 -0.100 0.000 1.990 114 L HA -0.306 4.033 4.340 -0.001 0.000 0.213 114 L C 2.340 179.123 176.870 -0.146 0.000 1.072 114 L CA 2.484 57.214 54.840 -0.182 0.000 0.755 114 L CB -1.445 40.370 42.059 -0.406 0.000 0.889 114 L HN 0.515 nan 8.230 nan 0.000 0.432 115 N N 0.191 118.808 118.700 -0.138 0.000 2.069 115 N HA -0.259 4.480 4.740 -0.001 0.000 0.191 115 N C 1.953 177.409 175.510 -0.091 0.000 1.031 115 N CA 2.016 54.995 53.050 -0.119 0.000 0.852 115 N CB -0.198 38.222 38.487 -0.112 0.000 1.018 115 N HN 0.337 nan 8.380 nan 0.000 0.423 116 K N 0.132 120.491 120.400 -0.068 0.000 2.009 116 K HA -0.096 4.224 4.320 -0.001 0.000 0.210 116 K C 2.027 178.598 176.600 -0.048 0.000 1.049 116 K CA 1.492 57.748 56.287 -0.050 0.000 0.929 116 K CB -0.241 32.240 32.500 -0.031 0.000 0.714 116 K HN 0.247 nan 8.250 nan 0.000 0.440 117 I N 0.717 121.267 120.570 -0.033 0.000 2.226 117 I HA -0.261 3.908 4.170 -0.001 0.000 0.245 117 I C 2.212 178.277 176.117 -0.086 0.000 1.100 117 I CA 1.430 62.709 61.300 -0.033 0.000 1.374 117 I CB -0.423 37.598 38.000 0.035 0.000 1.057 117 I HN 0.262 nan 8.210 nan 0.000 0.413 118 T N 0.721 115.211 114.554 -0.106 0.000 2.708 118 T HA -0.143 4.206 4.350 -0.001 0.000 0.266 118 T C 1.724 176.331 174.700 -0.156 0.000 1.037 118 T CA 1.473 63.480 62.100 -0.155 0.000 1.146 118 T CB -0.327 68.439 68.868 -0.171 0.000 0.865 118 T HN 0.285 nan 8.240 nan 0.000 0.435 119 N N 1.044 119.673 118.700 -0.118 0.000 2.166 119 N HA -0.030 4.709 4.740 -0.001 0.000 0.186 119 N C 2.169 177.621 175.510 -0.097 0.000 1.019 119 N CA 0.944 53.934 53.050 -0.100 0.000 0.856 119 N CB -0.487 37.966 38.487 -0.057 0.000 0.993 119 N HN 0.258 nan 8.380 nan 0.000 0.426 120 S N 1.035 116.684 115.700 -0.085 0.000 2.355 120 S HA 0.046 4.515 4.470 -0.001 0.000 0.222 120 S C 2.116 176.660 174.600 -0.093 0.000 1.031 120 S CA 0.539 58.695 58.200 -0.073 0.000 0.993 120 S CB -0.220 62.946 63.200 -0.057 0.000 0.859 120 S HN 0.239 nan 8.310 nan 0.000 0.453 121 L N 1.013 122.160 121.223 -0.127 0.000 2.012 121 L HA -0.119 4.220 4.340 -0.001 0.000 0.210 121 L C 2.358 179.125 176.870 -0.171 0.000 1.073 121 L CA 1.026 55.770 54.840 -0.160 0.000 0.748 121 L CB -0.713 41.218 42.059 -0.213 0.000 0.891 121 L HN 0.205 nan 8.230 nan 0.000 0.431 122 V N -0.235 119.560 119.914 -0.199 0.000 2.358 122 V HA -0.282 3.837 4.120 -0.001 0.000 0.246 122 V C 2.381 178.411 176.094 -0.107 0.000 1.047 122 V CA 1.530 63.707 62.300 -0.205 0.000 1.035 122 V CB -0.315 31.357 31.823 -0.252 0.000 0.658 122 V HN 0.305 nan 8.190 nan 0.000 0.452 123 L N 0.703 121.873 121.223 -0.090 0.000 2.042 123 L HA -0.189 4.151 4.340 -0.001 0.000 0.210 123 L C 2.224 179.086 176.870 -0.013 0.000 1.076 123 L CA 2.028 56.838 54.840 -0.049 0.000 0.749 123 L CB -0.754 41.279 42.059 -0.044 0.000 0.893 123 L HN 0.346 nan 8.230 nan 0.000 0.432 124 N N -0.977 117.707 118.700 -0.027 0.000 2.331 124 N HA -0.096 4.643 4.740 -0.001 0.000 0.180 124 N C 1.779 177.296 175.510 0.012 0.000 1.019 124 N CA 1.480 54.528 53.050 -0.004 0.000 0.881 124 N CB -0.047 38.427 38.487 -0.022 0.000 0.972 124 N HN 0.293 nan 8.380 nan 0.000 0.435 125 V N 1.684 121.590 119.914 -0.013 0.000 2.453 125 V HA -0.108 4.012 4.120 -0.001 0.000 0.247 125 V C 2.311 178.458 176.094 0.088 0.000 1.048 125 V CA 0.890 63.200 62.300 0.017 0.000 1.049 125 V CB -0.312 31.478 31.823 -0.056 0.000 0.672 125 V HN 0.175 nan 8.190 nan 0.000 0.457 126 I N -0.122 120.501 120.570 0.088 0.000 2.208 126 I HA -0.301 3.868 4.170 -0.001 0.000 0.245 126 I C 2.592 178.784 176.117 0.124 0.000 1.097 126 I CA 1.763 63.140 61.300 0.128 0.000 1.363 126 I CB -0.410 37.670 38.000 0.133 0.000 1.051 126 I HN 0.290 nan 8.210 nan 0.000 0.413 127 K N 0.651 121.117 120.400 0.111 0.000 2.009 127 K HA -0.227 4.093 4.320 -0.001 0.000 0.210 127 K C 2.185 178.866 176.600 0.135 0.000 1.049 127 K CA 1.594 57.961 56.287 0.132 0.000 0.929 127 K CB -0.494 32.077 32.500 0.119 0.000 0.714 127 K HN 0.279 nan 8.250 nan 0.000 0.440 128 L N 0.773 122.066 121.223 0.116 0.000 2.043 128 L HA -0.235 4.105 4.340 -0.001 0.000 0.212 128 L C 2.246 179.191 176.870 0.126 0.000 1.075 128 L CA 1.720 56.633 54.840 0.122 0.000 0.752 128 L CB -0.314 41.823 42.059 0.130 0.000 0.891 128 L HN 0.186 nan 8.230 nan 0.000 0.432 129 A N -1.277 121.620 122.820 0.127 0.000 2.119 129 A HA 0.191 4.510 4.320 -0.001 0.000 0.217 129 A C 1.733 179.317 177.584 -0.001 0.000 1.153 129 A CA 1.099 53.185 52.037 0.083 0.000 0.692 129 A CB -0.383 18.685 19.000 0.112 0.000 0.799 129 A HN 0.757 nan 8.150 nan 0.000 0.458 130 G N -2.850 105.987 108.800 0.062 0.000 2.425 130 G HA2 -0.064 3.895 3.960 -0.001 0.000 0.177 130 G HA3 -0.064 3.895 3.960 -0.001 0.000 0.177 130 G C 0.018 175.001 174.900 0.139 0.000 0.999 130 G CA 0.025 45.182 45.100 0.095 0.000 0.723 130 G HN 0.625 nan 8.290 nan 0.000 0.491 131 V N 4.833 124.790 119.914 0.072 0.000 2.184 131 V HA 0.266 4.385 4.120 -0.001 0.000 0.262 131 V C 1.689 177.824 176.094 0.068 0.000 1.209 131 V CA 0.041 62.355 62.300 0.024 0.000 1.070 131 V CB -0.277 31.535 31.823 -0.019 0.000 1.244 131 V HN 0.591 nan 8.190 nan 0.000 0.477 132 H N 1.988 121.144 119.070 0.144 0.000 2.456 132 H HA -0.096 4.459 4.556 -0.001 0.000 0.296 132 H C 1.874 177.288 175.328 0.144 0.000 1.079 132 H CA 1.566 57.687 56.048 0.122 0.000 1.322 132 H CB 0.108 29.925 29.762 0.091 0.000 1.388 132 H HN 0.654 nan 8.280 nan 0.000 0.538 133 S N 1.157 116.847 115.700 -0.018 0.000 2.631 133 S HA 0.094 4.563 4.470 -0.001 0.000 0.217 133 S C 0.842 175.632 174.600 0.316 0.000 0.958 133 S CA -0.140 58.174 58.200 0.190 0.000 0.920 133 S CB -0.533 62.731 63.200 0.107 0.000 0.776 133 S HN 0.236 nan 8.310 nan 0.000 0.517 134 V N 1.860 121.906 119.914 0.220 0.000 2.720 134 V HA 0.371 4.490 4.120 -0.001 0.000 0.307 134 V C 1.208 177.327 176.094 0.042 0.000 1.071 134 V CA 0.833 63.150 62.300 0.029 0.000 1.199 134 V CB 0.483 32.330 31.823 0.040 0.000 0.900 134 V HN 0.553 nan 8.190 nan 0.000 0.494 135 A N 4.922 127.733 122.820 -0.015 0.000 2.085 135 A HA 0.508 4.828 4.320 -0.001 0.000 0.208 135 A C 0.988 178.568 177.584 -0.007 0.000 1.191 135 A CA 0.794 52.852 52.037 0.036 0.000 0.799 135 A CB 0.290 19.344 19.000 0.090 0.000 0.877 135 A HN 1.066 nan 8.150 nan 0.000 0.473 136 S N -1.626 114.034 115.700 -0.066 0.000 2.542 136 S HA 0.537 5.006 4.470 -0.001 0.000 0.276 136 S C -1.103 173.423 174.600 -0.123 0.000 1.148 136 S CA -0.092 58.073 58.200 -0.059 0.000 0.886 136 S CB 1.090 64.276 63.200 -0.023 0.000 1.109 136 S HN 1.393 nan 8.310 nan 0.000 0.458 137 C N 2.270 121.524 119.300 -0.078 0.000 3.285 137 C HA 1.004 5.463 4.460 -0.001 0.000 0.325 137 C C -1.738 173.268 174.990 0.026 0.000 1.304 137 C CA -1.130 57.805 59.018 -0.139 0.000 1.319 137 C CB 0.197 27.791 27.740 -0.244 0.000 1.640 137 C HN 1.170 nan 8.230 nan 0.000 0.477 138 F N -0.447 119.378 119.950 -0.209 0.000 2.641 138 F HA 0.761 5.287 4.527 -0.002 0.000 0.308 138 F C -1.041 174.645 175.800 -0.190 0.000 1.105 138 F CA -1.199 56.688 58.000 -0.189 0.000 0.964 138 F CB 0.791 39.682 39.000 -0.182 0.000 1.294 138 F HN 0.557 nan 8.300 nan 0.000 0.442 139 V N 3.303 123.161 119.914 -0.093 0.000 2.614 139 V HA 0.450 4.570 4.120 -0.001 0.000 0.291 139 V C -0.359 175.691 176.094 -0.075 0.000 1.049 139 V CA -0.504 61.700 62.300 -0.161 0.000 1.038 139 V CB 1.236 32.972 31.823 -0.146 0.000 0.980 139 V HN 0.771 nan 8.190 nan 0.000 0.481 140 V N 7.354 127.182 119.914 -0.143 0.000 2.588 140 V HA 0.565 4.684 4.120 -0.001 0.000 0.304 140 V C -2.112 173.936 176.094 -0.076 0.000 1.042 140 V CA -2.077 60.175 62.300 -0.080 0.000 0.877 140 V CB 2.730 34.538 31.823 -0.024 0.000 0.996 140 V HN 0.839 nan 8.190 nan 0.000 0.425 141 P HA 0.248 nan 4.420 nan 0.000 0.228 141 P C -0.569 176.747 177.300 0.026 0.000 1.748 141 P CA 0.186 63.267 63.100 -0.032 0.000 0.909 141 P CB -0.318 31.355 31.700 -0.045 0.000 1.882 142 M N 0.015 119.634 119.600 0.031 0.000 2.619 142 M HA 0.619 5.098 4.480 -0.001 0.000 0.297 142 M C 0.224 176.538 176.300 0.025 0.000 1.229 142 M CA -1.081 54.251 55.300 0.053 0.000 0.860 142 M CB 2.723 35.378 32.600 0.092 0.000 1.741 142 M HN -0.097 nan 8.290 nan 0.000 0.462 143 A N 0.571 123.411 122.820 0.034 0.000 2.310 143 A HA 0.350 4.669 4.320 -0.001 0.000 0.260 143 A C 1.012 178.609 177.584 0.022 0.000 1.112 143 A CA -0.086 51.971 52.037 0.032 0.000 0.804 143 A CB -0.023 19.005 19.000 0.047 0.000 1.081 143 A HN 0.915 nan 8.150 nan 0.000 0.499 144 T N 0.737 115.310 114.554 0.031 0.000 2.720 144 T HA -0.109 4.240 4.350 -0.001 0.000 0.268 144 T C 2.033 176.749 174.700 0.028 0.000 1.037 144 T CA 2.128 64.243 62.100 0.024 0.000 1.144 144 T CB -0.659 68.244 68.868 0.060 0.000 0.864 144 T HN 0.918 nan 8.240 nan 0.000 0.444 145 G N 1.619 110.456 108.800 0.063 0.000 2.491 145 G HA2 -0.250 3.710 3.960 -0.001 0.000 0.218 145 G HA3 -0.250 3.710 3.960 -0.001 0.000 0.218 145 G C 1.526 176.444 174.900 0.030 0.000 1.180 145 G CA 0.915 46.060 45.100 0.075 0.000 0.774 145 G HN 0.280 nan 8.290 nan 0.000 0.562 146 M N 1.099 120.715 119.600 0.026 0.000 2.229 146 M HA 0.025 4.505 4.480 -0.001 0.000 0.264 146 M C 2.720 179.007 176.300 -0.022 0.000 1.063 146 M CA 0.936 56.244 55.300 0.015 0.000 1.114 146 M CB -0.805 31.817 32.600 0.035 0.000 1.387 146 M HN 0.213 nan 8.290 nan 0.000 0.420 147 S N 0.613 116.287 115.700 -0.044 0.000 2.371 147 S HA -0.021 4.448 4.470 -0.001 0.000 0.224 147 S C 1.977 176.451 174.600 -0.210 0.000 1.029 147 S CA 0.817 58.959 58.200 -0.097 0.000 0.978 147 S CB -0.219 62.911 63.200 -0.116 0.000 0.833 147 S HN 0.416 nan 8.310 nan 0.000 0.466 148 L N 1.162 122.233 121.223 -0.255 0.000 2.012 148 L HA -0.157 4.182 4.340 -0.001 0.000 0.210 148 L C 2.729 179.094 176.870 -0.842 0.000 1.073 148 L CA 1.269 55.767 54.840 -0.570 0.000 0.748 148 L CB -1.225 40.597 42.059 -0.395 0.000 0.891 148 L HN 0.287 nan 8.230 nan 0.000 0.431 149 T N 0.192 114.549 114.554 -0.328 0.000 2.665 149 T HA -0.260 4.089 4.350 -0.001 0.000 0.268 149 T C 1.831 176.476 174.700 -0.093 0.000 1.035 149 T CA 1.768 63.820 62.100 -0.082 0.000 1.151 149 T CB -0.354 68.541 68.868 0.045 0.000 0.862 149 T HN 0.141 nan 8.240 nan 0.000 0.438 150 L N 0.807 121.969 121.223 -0.102 0.000 2.042 150 L HA -0.103 4.236 4.340 -0.001 0.000 0.210 150 L C 2.550 179.383 176.870 -0.062 0.000 1.076 150 L CA 1.595 56.415 54.840 -0.034 0.000 0.749 150 L CB -0.820 41.255 42.059 0.028 0.000 0.893 150 L HN 0.364 nan 8.230 nan 0.000 0.432 151 C N -0.741 118.428 119.300 -0.218 0.000 2.413 151 C HA -0.185 4.274 4.460 -0.001 0.000 0.276 151 C C 2.494 177.471 174.990 -0.022 0.000 1.236 151 C CA 0.668 59.573 59.018 -0.187 0.000 1.735 151 C CB -1.466 26.074 27.740 -0.333 0.000 2.031 151 C HN 0.562 nan 8.230 nan 0.000 0.474 152 F N 1.288 121.250 119.950 0.020 0.000 2.134 152 F HA -0.052 4.475 4.527 -0.001 0.000 0.299 152 F C 2.246 178.126 175.800 0.134 0.000 1.097 152 F CA 0.883 58.880 58.000 -0.004 0.000 1.264 152 F CB -1.519 37.466 39.000 -0.025 0.000 1.001 152 F HN 0.160 nan 8.300 nan 0.000 0.479 153 L N -0.601 120.810 121.223 0.315 0.000 2.079 153 L HA -0.227 4.112 4.340 -0.001 0.000 0.210 153 L C 2.344 179.372 176.870 0.264 0.000 1.081 153 L CA 1.729 56.727 54.840 0.264 0.000 0.752 153 L CB -1.270 40.889 42.059 0.168 0.000 0.896 153 L HN 0.171 nan 8.230 nan 0.000 0.433 154 T N 0.227 114.914 114.554 0.223 0.000 2.746 154 T HA -0.140 4.209 4.350 -0.001 0.000 0.267 154 T C 1.947 176.831 174.700 0.307 0.000 1.039 154 T CA 1.165 63.412 62.100 0.245 0.000 1.142 154 T CB -0.238 68.704 68.868 0.125 0.000 0.866 154 T HN 0.202 nan 8.240 nan 0.000 0.444 155 L N 0.682 122.075 121.223 0.282 0.000 2.201 155 L HA 0.011 4.350 4.340 -0.001 0.000 0.212 155 L C 2.774 179.740 176.870 0.162 0.000 1.105 155 L CA 0.818 55.795 54.840 0.228 0.000 0.775 155 L CB -0.503 41.656 42.059 0.167 0.000 0.913 155 L HN 0.188 nan 8.230 nan 0.000 0.440 156 R N 0.036 120.653 120.500 0.195 0.000 2.113 156 R HA -0.246 4.093 4.340 -0.001 0.000 0.244 156 R C 2.142 178.450 176.300 0.014 0.000 1.142 156 R CA 2.161 58.364 56.100 0.172 0.000 0.953 156 R CB -0.343 30.023 30.300 0.109 0.000 0.860 156 R HN 0.411 nan 8.270 nan 0.000 0.438 157 H N -0.176 118.982 119.070 0.148 0.000 2.457 157 H HA 0.021 4.577 4.556 -0.001 0.000 0.294 157 H C 1.784 177.168 175.328 0.094 0.000 1.064 157 H CA 1.357 57.468 56.048 0.105 0.000 1.330 157 H CB 0.295 30.110 29.762 0.089 0.000 1.395 157 H HN 0.138 nan 8.280 nan 0.000 0.541 158 K N 0.604 121.125 120.400 0.202 0.000 2.167 158 K HA 0.079 4.399 4.320 -0.001 0.000 0.203 158 K C 0.401 177.052 176.600 0.085 0.000 1.052 158 K CA 0.707 57.074 56.287 0.133 0.000 0.956 158 K CB 0.399 32.972 32.500 0.121 0.000 0.735 158 K HN 0.274 nan 8.250 nan 0.000 0.451 159 R N 1.257 121.805 120.500 0.080 0.000 2.651 159 R HA 0.154 4.493 4.340 -0.001 0.000 0.282 159 R C -2.038 174.304 176.300 0.069 0.000 1.565 159 R CA -1.087 55.045 56.100 0.055 0.000 1.661 159 R CB 0.954 31.272 30.300 0.030 0.000 1.189 159 R HN -0.051 nan 8.270 nan 0.000 0.621 160 P HA -0.140 nan 4.420 nan 0.000 0.226 160 P C 0.344 177.679 177.300 0.059 0.000 1.153 160 P CA 0.989 64.121 63.100 0.053 0.000 0.777 160 P CB 0.376 32.102 31.700 0.043 0.000 0.794 161 K N -0.417 120.022 120.400 0.064 0.000 2.365 161 K HA 0.182 4.501 4.320 -0.001 0.000 0.197 161 K C 1.122 177.807 176.600 0.142 0.000 1.042 161 K CA -0.017 56.325 56.287 0.090 0.000 0.987 161 K CB 0.043 32.575 32.500 0.053 0.000 0.779 161 K HN 0.081 nan 8.250 nan 0.000 0.484 162 A N 2.203 125.096 122.820 0.122 0.000 2.388 162 A HA 0.092 4.411 4.320 -0.001 0.000 0.257 162 A C 0.748 178.436 177.584 0.174 0.000 1.095 162 A CA -0.147 51.973 52.037 0.138 0.000 0.791 162 A CB 0.291 19.331 19.000 0.066 0.000 1.029 162 A HN 0.329 nan 8.150 nan 0.000 0.489 163 K N 0.496 120.923 120.400 0.045 0.000 2.538 163 K HA 0.196 4.516 4.320 -0.001 0.000 0.215 163 K C -1.069 175.456 176.600 -0.125 0.000 1.345 163 K CA -0.067 56.171 56.287 -0.081 0.000 0.985 163 K CB 0.380 32.610 32.500 -0.450 0.000 1.116 163 K HN 0.533 nan 8.250 nan 0.000 0.582 164 Y N 1.559 121.936 120.300 0.128 0.000 2.409 164 Y HA 0.511 5.060 4.550 -0.002 0.000 0.339 164 Y C -0.093 175.766 175.900 -0.068 0.000 1.033 164 Y CA -1.267 56.858 58.100 0.042 0.000 1.094 164 Y CB 1.559 40.038 38.460 0.032 0.000 1.210 164 Y HN -0.112 nan 8.280 nan 0.000 0.456 165 I N 4.433 125.045 120.570 0.070 0.000 2.382 165 I HA 0.342 4.511 4.170 -0.001 0.000 0.286 165 I C -0.709 175.459 176.117 0.085 0.000 1.002 165 I CA -0.531 60.735 61.300 -0.057 0.000 1.135 165 I CB 1.148 38.954 38.000 -0.324 0.000 1.288 165 I HN 0.450 nan 8.210 nan 0.000 0.448 166 I N 5.615 126.248 120.570 0.105 0.000 2.416 166 I HA 0.091 4.260 4.170 -0.001 0.000 0.288 166 I C -0.879 175.392 176.117 0.257 0.000 1.051 166 I CA 0.155 61.538 61.300 0.138 0.000 1.375 166 I CB 0.592 38.622 38.000 0.050 0.000 1.407 166 I HN 0.602 nan 8.210 nan 0.000 0.516 167 W N 10.487 131.811 121.300 0.039 0.000 2.664 167 W HA 0.453 5.112 4.660 -0.002 0.000 0.314 167 W C -2.841 173.705 176.519 0.044 0.000 1.010 167 W CA -2.361 55.013 57.345 0.049 0.000 1.306 167 W CB 1.355 30.870 29.460 0.091 0.000 1.254 167 W HN 0.186 nan 8.180 nan 0.000 0.404 168 P HA 0.001 nan 4.420 nan 0.000 0.263 168 P C -0.127 176.643 177.300 -0.884 0.000 1.195 168 P CA 0.219 63.068 63.100 -0.417 0.000 0.762 168 P CB 0.500 32.036 31.700 -0.273 0.000 0.799 169 R N 4.559 124.664 120.500 -0.659 0.000 2.538 169 R HA 0.242 4.581 4.340 -0.001 0.000 0.282 169 R C -0.459 175.482 176.300 -0.597 0.000 1.009 169 R CA 0.293 55.925 56.100 -0.780 0.000 1.063 169 R CB -0.205 30.015 30.300 -0.133 0.000 0.945 169 R HN 0.535 nan 8.270 nan 0.000 0.414 170 I N 3.785 123.994 120.570 -0.603 0.000 2.571 170 I HA 0.170 4.339 4.170 -0.001 0.000 0.289 170 I C -1.332 174.987 176.117 0.336 0.000 1.115 170 I CA -0.933 60.348 61.300 -0.032 0.000 1.045 170 I CB 2.043 39.981 38.000 -0.104 0.000 1.238 170 I HN 0.663 nan 8.210 nan 0.000 0.424 171 D N 7.487 128.153 120.400 0.443 0.000 2.551 171 D HA 0.173 4.812 4.640 -0.001 0.000 0.223 171 D C -0.366 176.040 176.300 0.177 0.000 1.144 171 D CA 0.502 54.514 54.000 0.021 0.000 1.025 171 D CB 0.303 40.687 40.800 -0.695 0.000 1.085 171 D HN 0.338 nan 8.370 nan 0.000 0.506 172 Q N 1.383 121.379 119.800 0.327 0.000 2.269 172 Q HA 0.134 4.474 4.340 -0.001 0.000 0.263 172 Q C 0.377 176.591 176.000 0.358 0.000 0.983 172 Q CA -0.424 55.593 55.803 0.358 0.000 0.777 172 Q CB 1.591 30.533 28.738 0.340 0.000 1.273 172 Q HN 0.145 nan 8.270 nan 0.000 0.440 173 K N 0.848 121.436 120.400 0.314 0.000 2.155 173 K HA -0.080 4.239 4.320 -0.001 0.000 0.203 173 K C 1.681 178.447 176.600 0.277 0.000 1.052 173 K CA 1.172 57.636 56.287 0.295 0.000 0.948 173 K CB 0.256 32.895 32.500 0.232 0.000 0.728 173 K HN 0.443 nan 8.250 nan 0.000 0.448 174 S N 1.165 117.007 115.700 0.236 0.000 2.348 174 S HA -0.167 4.302 4.470 -0.001 0.000 0.221 174 S C 2.426 177.154 174.600 0.213 0.000 1.033 174 S CA 1.602 59.919 58.200 0.195 0.000 1.010 174 S CB -0.434 62.864 63.200 0.164 0.000 0.891 174 S HN 0.583 nan 8.310 nan 0.000 0.442 175 C N 0.189 119.653 119.300 0.273 0.000 2.435 175 C HA 0.143 4.602 4.460 -0.001 0.000 0.279 175 C C 2.262 177.388 174.990 0.226 0.000 1.321 175 C CA 0.317 59.537 59.018 0.336 0.000 1.752 175 C CB -2.111 25.892 27.740 0.438 0.000 1.959 175 C HN 0.582 nan 8.230 nan 0.000 0.500 176 F N 2.522 122.476 119.950 0.007 0.000 2.084 176 F HA 0.023 4.549 4.527 -0.002 0.000 0.296 176 F C 2.507 178.242 175.800 -0.109 0.000 1.111 176 F CA 1.871 59.699 58.000 -0.287 0.000 1.224 176 F CB -0.475 38.421 39.000 -0.173 0.000 0.991 176 F HN 0.073 nan 8.300 nan 0.000 0.471 177 K N 0.185 120.607 120.400 0.037 0.000 2.103 177 K HA -0.209 4.111 4.320 -0.001 0.000 0.207 177 K C 2.344 178.917 176.600 -0.044 0.000 1.048 177 K CA 1.691 57.972 56.287 -0.010 0.000 0.930 177 K CB -0.523 32.039 32.500 0.103 0.000 0.716 177 K HN 0.442 nan 8.250 nan 0.000 0.444 178 S N 1.130 116.856 115.700 0.045 0.000 2.392 178 S HA -0.241 4.229 4.470 -0.001 0.000 0.232 178 S C 2.021 176.745 174.600 0.207 0.000 1.041 178 S CA 1.548 59.836 58.200 0.146 0.000 1.026 178 S CB -0.363 62.969 63.200 0.221 0.000 0.845 178 S HN 0.225 nan 8.310 nan 0.000 0.465 179 M N 0.711 120.312 119.600 0.001 0.000 2.132 179 M HA -0.012 4.467 4.480 -0.001 0.000 0.263 179 M C 2.347 178.577 176.300 -0.117 0.000 1.065 179 M CA 1.339 56.522 55.300 -0.195 0.000 1.122 179 M CB -0.602 31.715 32.600 -0.471 0.000 1.365 179 M HN 0.246 nan 8.290 nan 0.000 0.411 180 V N -0.069 119.717 119.914 -0.214 0.000 2.307 180 V HA -0.225 3.894 4.120 -0.001 0.000 0.245 180 V C 2.343 178.398 176.094 -0.065 0.000 1.045 180 V CA 2.239 64.448 62.300 -0.153 0.000 1.024 180 V CB -1.182 30.536 31.823 -0.176 0.000 0.651 180 V HN 0.481 nan 8.190 nan 0.000 0.449 181 T N 0.752 115.292 114.554 -0.022 0.000 2.699 181 T HA -0.212 4.137 4.350 -0.001 0.000 0.268 181 T C 1.951 176.666 174.700 0.025 0.000 1.036 181 T CA 1.744 63.849 62.100 0.008 0.000 1.147 181 T CB -0.460 68.428 68.868 0.034 0.000 0.862 181 T HN 0.577 nan 8.240 nan 0.000 0.446 182 A N 0.304 123.188 122.820 0.107 0.000 2.172 182 A HA 0.393 4.712 4.320 -0.001 0.000 0.216 182 A C 1.930 179.482 177.584 -0.054 0.000 1.154 182 A CA 1.264 53.408 52.037 0.178 0.000 0.701 182 A CB -0.786 18.515 19.000 0.501 0.000 0.789 182 A HN 0.899 nan 8.150 nan 0.000 0.465 183 G N -2.826 105.875 108.800 -0.164 0.000 2.131 183 G HA2 -0.175 3.784 3.960 -0.001 0.000 0.201 183 G HA3 -0.175 3.784 3.960 -0.001 0.000 0.201 183 G C -0.174 174.339 174.900 -0.646 0.000 1.000 183 G CA 0.025 44.888 45.100 -0.395 0.000 0.680 183 G HN 0.318 nan 8.290 nan 0.000 0.514 184 F N 0.060 119.922 119.950 -0.146 0.000 2.556 184 F HA 0.645 5.171 4.527 -0.001 0.000 0.327 184 F C 0.586 176.277 175.800 -0.182 0.000 1.059 184 F CA -1.172 56.717 58.000 -0.184 0.000 0.953 184 F CB 1.542 40.404 39.000 -0.229 0.000 1.227 184 F HN 0.045 nan 8.300 nan 0.000 0.478 185 E N 3.435 123.666 120.200 0.052 0.000 2.089 185 E HA 0.299 4.648 4.350 -0.001 0.000 0.284 185 E C -2.540 174.118 176.600 0.096 0.000 1.023 185 E CA -2.203 54.232 56.400 0.059 0.000 0.819 185 E CB 0.862 30.633 29.700 0.118 0.000 1.076 185 E HN 0.119 nan 8.360 nan 0.000 0.396 186 P HA -0.001 nan 4.420 nan 0.000 0.271 186 P C -1.010 176.366 177.300 0.127 0.000 1.216 186 P CA -0.218 62.872 63.100 -0.017 0.000 0.771 186 P CB 0.865 32.429 31.700 -0.225 0.000 0.864 187 V N 4.887 124.897 119.914 0.160 0.000 2.293 187 V HA 0.112 4.231 4.120 -0.001 0.000 0.275 187 V C 0.195 176.404 176.094 0.192 0.000 1.021 187 V CA -0.679 61.695 62.300 0.123 0.000 0.815 187 V CB 1.394 33.235 31.823 0.031 0.000 1.025 187 V HN 0.250 nan 8.190 nan 0.000 0.448 188 V N 6.446 126.465 119.914 0.175 0.000 2.439 188 V HA 0.253 4.372 4.120 -0.001 0.000 0.271 188 V C 0.298 176.462 176.094 0.117 0.000 1.040 188 V CA -0.107 62.336 62.300 0.239 0.000 1.002 188 V CB 0.822 32.667 31.823 0.036 0.000 1.000 188 V HN 0.537 nan 8.190 nan 0.000 0.477 189 I N 4.948 125.560 120.570 0.071 0.000 2.304 189 I HA 0.352 4.521 4.170 -0.001 0.000 0.291 189 I C 0.606 176.713 176.117 -0.016 0.000 1.018 189 I CA -0.629 60.677 61.300 0.009 0.000 1.260 189 I CB 1.070 39.057 38.000 -0.021 0.000 1.390 189 I HN 0.564 nan 8.210 nan 0.000 0.475 190 E N 5.218 125.429 120.200 0.018 0.000 2.404 190 E HA 0.147 4.497 4.350 -0.001 0.000 0.261 190 E C -0.097 176.504 176.600 0.002 0.000 1.074 190 E CA -0.226 56.191 56.400 0.029 0.000 0.917 190 E CB 0.842 30.577 29.700 0.058 0.000 0.965 190 E HN 0.392 nan 8.360 nan 0.000 0.433 191 N N 0.272 118.979 118.700 0.011 0.000 2.445 191 N HA 0.190 4.929 4.740 -0.001 0.000 0.264 191 N C -0.421 175.103 175.510 0.023 0.000 1.227 191 N CA -0.374 52.676 53.050 0.001 0.000 0.963 191 N CB 0.976 39.465 38.487 0.003 0.000 1.188 191 N HN 0.080 nan 8.380 nan 0.000 0.491 192 V N 1.647 121.568 119.914 0.012 0.000 2.427 192 V HA 0.204 4.323 4.120 -0.001 0.000 0.286 192 V C 0.203 176.318 176.094 0.035 0.000 1.034 192 V CA -0.872 61.438 62.300 0.017 0.000 0.893 192 V CB 1.403 33.225 31.823 -0.001 0.000 0.982 192 V HN 0.418 nan 8.190 nan 0.000 0.452 193 L N 5.358 126.609 121.223 0.045 0.000 2.315 193 L HA 0.371 4.710 4.340 -0.001 0.000 0.283 193 L C 0.178 177.066 176.870 0.031 0.000 1.089 193 L CA 0.696 55.570 54.840 0.057 0.000 0.833 193 L CB 0.157 42.237 42.059 0.035 0.000 1.170 193 L HN 0.709 nan 8.230 nan 0.000 0.442 194 E N 4.784 125.008 120.200 0.040 0.000 2.207 194 E HA 0.504 4.854 4.350 -0.001 0.000 0.250 194 E C 0.671 177.297 176.600 0.044 0.000 0.890 194 E CA -0.008 56.410 56.400 0.029 0.000 0.749 194 E CB 0.994 30.704 29.700 0.017 0.000 1.193 194 E HN 0.923 nan 8.360 nan 0.000 0.423 195 G N 4.274 113.092 108.800 0.029 0.000 2.602 195 G HA2 -0.384 3.576 3.960 -0.001 0.000 0.310 195 G HA3 -0.384 3.576 3.960 -0.001 0.000 0.310 195 G C 0.515 175.436 174.900 0.035 0.000 1.183 195 G CA 0.590 45.708 45.100 0.029 0.000 0.979 195 G HN 0.582 nan 8.290 nan 0.000 0.545 196 D N 2.048 122.489 120.400 0.069 0.000 2.366 196 D HA 0.183 4.822 4.640 -0.001 0.000 0.205 196 D C 1.112 177.535 176.300 0.204 0.000 1.022 196 D CA 0.577 54.654 54.000 0.129 0.000 0.868 196 D CB 0.172 41.040 40.800 0.112 0.000 0.953 196 D HN 0.651 nan 8.370 nan 0.000 0.514 197 E N 0.592 120.871 120.200 0.132 0.000 2.343 197 E HA 0.327 4.676 4.350 -0.001 0.000 0.269 197 E C -0.128 176.540 176.600 0.113 0.000 1.047 197 E CA -0.247 56.217 56.400 0.106 0.000 0.874 197 E CB 1.680 31.436 29.700 0.094 0.000 1.033 197 E HN 0.023 nan 8.360 nan 0.000 0.409 198 L N 3.673 124.942 121.223 0.077 0.000 2.272 198 L HA 0.446 4.785 4.340 -0.001 0.000 0.289 198 L C 0.317 177.181 176.870 -0.009 0.000 1.032 198 L CA -0.332 54.544 54.840 0.060 0.000 0.810 198 L CB 0.731 42.836 42.059 0.077 0.000 1.205 198 L HN 0.352 nan 8.230 nan 0.000 0.422 199 R N 1.102 121.591 120.500 -0.020 0.000 2.912 199 R HA 0.522 4.862 4.340 -0.001 0.000 0.262 199 R C -0.733 175.528 176.300 -0.065 0.000 1.057 199 R CA -1.038 55.025 56.100 -0.061 0.000 0.981 199 R CB 1.760 32.015 30.300 -0.075 0.000 1.201 199 R HN 0.400 nan 8.270 nan 0.000 0.484 200 T N 1.171 115.676 114.554 -0.082 0.000 2.867 200 T HA -0.046 4.304 4.350 -0.001 0.000 0.297 200 T C -0.026 174.639 174.700 -0.058 0.000 0.989 200 T CA 0.189 62.242 62.100 -0.078 0.000 1.159 200 T CB 0.170 68.991 68.868 -0.078 0.000 0.928 200 T HN 0.323 nan 8.240 nan 0.000 0.538 201 D N 3.315 123.684 120.400 -0.051 0.000 2.483 201 D HA 0.158 4.797 4.640 -0.001 0.000 0.220 201 D C 1.122 177.400 176.300 -0.037 0.000 1.173 201 D CA -0.266 53.712 54.000 -0.036 0.000 0.964 201 D CB 0.098 40.883 40.800 -0.025 0.000 1.046 201 D HN 0.468 nan 8.370 nan 0.000 0.517 202 L N 2.784 123.986 121.223 -0.036 0.000 2.083 202 L HA -0.156 4.183 4.340 -0.001 0.000 0.209 202 L C 2.427 179.283 176.870 -0.024 0.000 1.083 202 L CA 0.789 55.609 54.840 -0.032 0.000 0.752 202 L CB -0.173 41.869 42.059 -0.027 0.000 0.899 202 L HN 0.205 nan 8.230 nan 0.000 0.433 203 K N 0.241 120.630 120.400 -0.018 0.000 2.057 203 K HA -0.088 4.231 4.320 -0.001 0.000 0.206 203 K C 2.208 178.796 176.600 -0.021 0.000 1.050 203 K CA 1.441 57.721 56.287 -0.012 0.000 0.935 203 K CB -0.430 32.066 32.500 -0.008 0.000 0.715 203 K HN 0.278 nan 8.250 nan 0.000 0.439 204 A N 1.343 124.148 122.820 -0.024 0.000 1.902 204 A HA -0.111 4.208 4.320 -0.001 0.000 0.217 204 A C 2.540 180.099 177.584 -0.042 0.000 1.181 204 A CA 1.442 53.462 52.037 -0.028 0.000 0.623 204 A CB -0.700 18.287 19.000 -0.021 0.000 0.818 204 A HN 0.045 nan 8.150 nan 0.000 0.443 205 V N 0.010 119.896 119.914 -0.046 0.000 2.255 205 V HA -0.323 3.796 4.120 -0.001 0.000 0.247 205 V C 2.577 178.614 176.094 -0.094 0.000 1.051 205 V CA 2.560 64.822 62.300 -0.062 0.000 1.018 205 V CB -0.726 31.061 31.823 -0.060 0.000 0.641 205 V HN 0.806 nan 8.190 nan 0.000 0.445 206 E N -0.087 120.065 120.200 -0.079 0.000 2.077 206 E HA -0.199 4.151 4.350 -0.001 0.000 0.193 206 E C 2.208 178.736 176.600 -0.120 0.000 0.989 206 E CA 1.263 57.598 56.400 -0.108 0.000 0.800 206 E CB -0.294 29.405 29.700 -0.001 0.000 0.746 206 E HN 0.561 nan 8.360 nan 0.000 0.452 207 A N 1.251 124.030 122.820 -0.069 0.000 1.908 207 A HA -0.203 4.116 4.320 -0.001 0.000 0.218 207 A C 2.080 179.613 177.584 -0.086 0.000 1.181 207 A CA 1.468 53.469 52.037 -0.059 0.000 0.627 207 A CB -0.376 18.602 19.000 -0.037 0.000 0.818 207 A HN 0.061 nan 8.150 nan 0.000 0.445 208 K N -0.245 120.095 120.400 -0.099 0.000 2.057 208 K HA -0.011 4.308 4.320 -0.001 0.000 0.206 208 K C 1.857 178.366 176.600 -0.152 0.000 1.050 208 K CA 1.186 57.402 56.287 -0.119 0.000 0.935 208 K CB -0.577 31.860 32.500 -0.106 0.000 0.715 208 K HN 0.624 nan 8.250 nan 0.000 0.439 209 I N 1.342 121.789 120.570 -0.204 0.000 2.151 209 I HA -0.361 3.808 4.170 -0.001 0.000 0.243 209 I C 2.485 178.458 176.117 -0.239 0.000 1.080 209 I CA 1.519 62.644 61.300 -0.292 0.000 1.339 209 I CB -0.272 37.371 38.000 -0.594 0.000 1.039 209 I HN 0.253 nan 8.210 nan 0.000 0.409 210 Q N 0.117 119.792 119.800 -0.208 0.000 2.079 210 Q HA -0.247 4.092 4.340 -0.001 0.000 0.200 210 Q C 2.197 178.170 176.000 -0.044 0.000 0.974 210 Q CA 1.545 57.295 55.803 -0.088 0.000 0.840 210 Q CB -0.187 28.529 28.738 -0.036 0.000 0.898 210 Q HN 0.487 nan 8.270 nan 0.000 0.430 211 E N 0.793 120.956 120.200 -0.062 0.000 2.038 211 E HA -0.204 4.145 4.350 -0.001 0.000 0.195 211 E C 1.778 178.353 176.600 -0.043 0.000 1.000 211 E CA 1.037 57.406 56.400 -0.052 0.000 0.803 211 E CB 0.034 29.689 29.700 -0.074 0.000 0.750 211 E HN 0.319 nan 8.360 nan 0.000 0.448 212 L N -0.561 120.621 121.223 -0.067 0.000 2.375 212 L HA 0.229 4.568 4.340 -0.001 0.000 0.215 212 L C 0.911 177.884 176.870 0.172 0.000 1.108 212 L CA 0.315 55.137 54.840 -0.030 0.000 0.830 212 L CB 0.117 42.060 42.059 -0.194 0.000 0.959 212 L HN 0.297 nan 8.230 nan 0.000 0.457 213 G N 0.239 109.100 108.800 0.102 0.000 3.190 213 G HA2 -0.120 3.839 3.960 -0.001 0.000 0.686 213 G HA3 -0.120 3.839 3.960 -0.001 0.000 0.686 213 G C -2.270 172.660 174.900 0.050 0.000 1.033 213 G CA -0.718 44.453 45.100 0.117 0.000 0.797 213 G HN -0.081 nan 8.290 nan 0.000 0.567 214 P HA -0.123 nan 4.420 nan 0.000 0.216 214 P C 1.582 178.867 177.300 -0.025 0.000 1.154 214 P CA 1.748 64.843 63.100 -0.008 0.000 0.865 214 P CB 0.167 31.913 31.700 0.077 0.000 0.789 215 E N -1.694 118.438 120.200 -0.112 0.000 2.265 215 E HA -0.186 4.163 4.350 -0.001 0.000 0.196 215 E C 1.322 177.818 176.600 -0.172 0.000 0.996 215 E CA 0.835 57.129 56.400 -0.176 0.000 0.832 215 E CB -0.480 29.064 29.700 -0.260 0.000 0.756 215 E HN 0.575 nan 8.360 nan 0.000 0.491 216 H N -0.602 118.519 119.070 0.085 0.000 2.539 216 H HA 0.092 4.648 4.556 -0.000 0.000 0.267 216 H C 0.055 175.485 175.328 0.169 0.000 0.982 216 H CA -0.325 55.802 56.048 0.131 0.000 1.146 216 H CB 0.444 30.335 29.762 0.215 0.000 1.382 216 H HN -0.040 nan 8.280 nan 0.000 0.577 217 I N 1.638 122.311 120.570 0.172 0.000 2.315 217 I HA -0.042 4.127 4.170 -0.001 0.000 0.291 217 I C 1.027 177.153 176.117 0.014 0.000 1.006 217 I CA -0.271 61.095 61.300 0.111 0.000 1.265 217 I CB 1.316 39.346 38.000 0.050 0.000 1.387 217 I HN 0.229 nan 8.210 nan 0.000 0.475 218 L N 7.558 128.736 121.223 -0.074 0.000 2.027 218 L HA -0.026 4.313 4.340 -0.001 0.000 0.206 218 L C 0.756 177.551 176.870 -0.125 0.000 1.074 218 L CA 1.620 56.333 54.840 -0.212 0.000 0.745 218 L CB 0.245 41.904 42.059 -0.667 0.000 0.898 218 L HN 0.920 nan 8.230 nan 0.000 0.433 219 C N -4.247 114.997 119.300 -0.095 0.000 3.275 219 C HA 0.485 4.944 4.460 -0.001 0.000 0.340 219 C C -0.707 174.318 174.990 0.058 0.000 1.366 219 C CA -1.897 57.132 59.018 0.019 0.000 1.227 219 C CB 0.108 27.908 27.740 0.100 0.000 1.512 219 C HN 0.250 nan 8.230 nan 0.000 0.461 220 L N 1.679 122.975 121.223 0.122 0.000 2.312 220 L HA 0.686 5.025 4.340 -0.001 0.000 0.281 220 L C -0.380 176.709 176.870 0.365 0.000 1.070 220 L CA 0.379 55.311 54.840 0.154 0.000 0.805 220 L CB 0.737 42.792 42.059 -0.006 0.000 1.174 220 L HN 0.983 nan 8.230 nan 0.000 0.434 221 H N 3.674 122.910 119.070 0.277 0.000 2.786 221 H HA 0.519 5.074 4.556 -0.002 0.000 0.284 221 H C -0.863 174.703 175.328 0.397 0.000 1.104 221 H CA -0.498 55.796 56.048 0.409 0.000 1.339 221 H CB 0.600 30.619 29.762 0.430 0.000 1.427 221 H HN 0.721 nan 8.280 nan 0.000 0.497 222 S N 2.967 118.942 115.700 0.457 0.000 2.722 222 S HA 0.783 5.253 4.470 -0.001 0.000 0.292 222 S C -0.451 174.239 174.600 0.151 0.000 1.135 222 S CA -0.729 57.605 58.200 0.224 0.000 1.003 222 S CB 2.058 65.458 63.200 0.333 0.000 1.067 222 S HN 0.492 nan 8.310 nan 0.000 0.546 223 T N 1.148 115.715 114.554 0.022 0.000 2.921 223 T HA 0.557 4.907 4.350 -0.001 0.000 0.297 223 T C 0.846 175.502 174.700 -0.074 0.000 1.013 223 T CA -0.422 61.669 62.100 -0.014 0.000 0.990 223 T CB 1.725 70.551 68.868 -0.070 0.000 1.023 223 T HN 0.879 nan 8.240 nan 0.000 0.447 224 T N 0.796 115.292 114.554 -0.098 0.000 3.397 224 T HA 0.549 4.898 4.350 -0.001 0.000 0.197 224 T C 1.255 175.789 174.700 -0.277 0.000 0.837 224 T CA 0.163 62.167 62.100 -0.160 0.000 2.001 224 T CB -0.625 68.155 68.868 -0.146 0.000 1.845 224 T HN 0.776 nan 8.240 nan 0.000 0.444 225 A N 1.364 123.925 122.820 -0.431 0.000 2.546 225 A HA 0.492 4.812 4.320 -0.001 0.000 0.243 225 A C 0.762 177.877 177.584 -0.782 0.000 1.063 225 A CA -0.186 51.383 52.037 -0.780 0.000 0.757 225 A CB -1.455 16.725 19.000 -1.367 0.000 0.991 225 A HN 1.367 nan 8.150 nan 0.000 0.503 226 C N -0.208 118.767 119.300 -0.541 0.000 3.306 226 C HA 0.704 5.164 4.460 -0.001 0.000 0.335 226 C C -0.534 174.352 174.990 -0.173 0.000 1.382 226 C CA -1.549 57.266 59.018 -0.339 0.000 1.254 226 C CB 0.024 27.577 27.740 -0.312 0.000 1.555 226 C HN 0.739 nan 8.230 nan 0.000 0.463 227 F N 2.119 122.080 119.950 0.017 0.000 2.504 227 F HA 0.486 5.012 4.527 -0.002 0.000 0.369 227 F C 1.387 177.160 175.800 -0.046 0.000 1.082 227 F CA 0.511 58.542 58.000 0.052 0.000 1.216 227 F CB 0.450 39.540 39.000 0.150 0.000 1.108 227 F HN 0.964 nan 8.300 nan 0.000 0.554 228 A N 5.991 128.913 122.820 0.169 0.000 2.520 228 A HA 0.148 4.467 4.320 -0.001 0.000 0.235 228 A C -1.529 175.994 177.584 -0.102 0.000 1.065 228 A CA -1.022 51.024 52.037 0.015 0.000 0.764 228 A CB -0.234 18.782 19.000 0.026 0.000 1.002 228 A HN 0.599 nan 8.150 nan 0.000 0.502 229 P HA 0.045 nan 4.420 nan 0.000 0.257 229 P C 0.412 177.639 177.300 -0.123 0.000 1.281 229 P CA -0.045 62.906 63.100 -0.248 0.000 0.826 229 P CB 0.048 31.505 31.700 -0.404 0.000 1.237 230 R N 1.132 121.557 120.500 -0.124 0.000 2.784 230 R HA 0.264 4.603 4.340 -0.001 0.000 0.266 230 R C -0.043 176.189 176.300 -0.115 0.000 1.044 230 R CA 0.188 56.199 56.100 -0.148 0.000 1.151 230 R CB 0.510 30.611 30.300 -0.332 0.000 1.037 230 R HN -0.030 nan 8.270 nan 0.000 0.478 231 V N 0.335 120.187 119.914 -0.104 0.000 3.102 231 V HA 0.586 4.705 4.120 -0.001 0.000 0.312 231 V C -2.647 173.374 176.094 -0.120 0.000 1.135 231 V CA -2.789 59.461 62.300 -0.083 0.000 1.022 231 V CB 1.763 33.580 31.823 -0.009 0.000 1.056 231 V HN 0.690 nan 8.190 nan 0.000 0.436 232 P HA 0.092 nan 4.420 nan 0.000 0.265 232 P C -0.470 176.767 177.300 -0.106 0.000 1.187 232 P CA 0.422 63.445 63.100 -0.128 0.000 0.766 232 P CB 0.140 31.768 31.700 -0.120 0.000 0.820 233 D N 2.415 122.758 120.400 -0.096 0.000 2.419 233 D HA -0.037 4.602 4.640 -0.001 0.000 0.236 233 D C 0.648 176.915 176.300 -0.056 0.000 1.165 233 D CA 0.408 54.363 54.000 -0.075 0.000 0.882 233 D CB 0.505 41.278 40.800 -0.046 0.000 1.201 233 D HN 0.227 nan 8.370 nan 0.000 0.443 234 R N 2.415 122.879 120.500 -0.061 0.000 3.641 234 R HA 0.053 4.393 4.340 -0.001 0.000 0.189 234 R C 1.316 177.608 176.300 -0.013 0.000 1.706 234 R CA -0.192 55.876 56.100 -0.053 0.000 1.311 234 R CB -0.205 30.055 30.300 -0.066 0.000 1.330 234 R HN 0.343 nan 8.270 nan 0.000 0.727 235 L N 0.657 121.888 121.223 0.013 0.000 2.083 235 L HA -0.210 4.130 4.340 -0.001 0.000 0.209 235 L C 2.015 178.927 176.870 0.069 0.000 1.083 235 L CA 1.502 56.392 54.840 0.084 0.000 0.752 235 L CB -0.294 41.805 42.059 0.067 0.000 0.899 235 L HN 0.545 nan 8.230 nan 0.000 0.433 236 E N 0.305 120.514 120.200 0.015 0.000 2.058 236 E HA -0.255 4.094 4.350 -0.001 0.000 0.194 236 E C 2.063 178.663 176.600 0.000 0.000 0.997 236 E CA 1.627 58.027 56.400 0.000 0.000 0.801 236 E CB -0.013 29.677 29.700 -0.016 0.000 0.746 236 E HN 0.514 nan 8.360 nan 0.000 0.450 237 E N 0.694 120.888 120.200 -0.010 0.000 2.072 237 E HA -0.096 4.253 4.350 -0.001 0.000 0.190 237 E C 2.125 178.711 176.600 -0.023 0.000 0.982 237 E CA 0.552 56.942 56.400 -0.017 0.000 0.803 237 E CB -0.081 29.604 29.700 -0.025 0.000 0.755 237 E HN 0.171 nan 8.360 nan 0.000 0.453 238 L N 0.355 121.555 121.223 -0.039 0.000 2.083 238 L HA -0.162 4.178 4.340 -0.001 0.000 0.209 238 L C 2.411 179.196 176.870 -0.142 0.000 1.083 238 L CA 1.069 55.835 54.840 -0.122 0.000 0.752 238 L CB -0.509 41.440 42.059 -0.184 0.000 0.899 238 L HN 0.170 nan 8.230 nan 0.000 0.433 239 A N -0.365 122.460 122.820 0.008 0.000 1.933 239 A HA -0.145 4.174 4.320 -0.001 0.000 0.218 239 A C 2.343 179.947 177.584 0.033 0.000 1.175 239 A CA 1.741 53.838 52.037 0.100 0.000 0.628 239 A CB -0.751 18.318 19.000 0.116 0.000 0.814 239 A HN 0.196 nan 8.150 nan 0.000 0.444 240 V N 0.103 120.022 119.914 0.008 0.000 2.307 240 V HA -0.263 3.856 4.120 -0.001 0.000 0.245 240 V C 2.422 178.524 176.094 0.013 0.000 1.045 240 V CA 2.022 64.322 62.300 -0.001 0.000 1.024 240 V CB -0.668 31.150 31.823 -0.009 0.000 0.651 240 V HN 0.578 nan 8.190 nan 0.000 0.449 241 I N -0.560 120.028 120.570 0.030 0.000 2.163 241 I HA -0.318 3.851 4.170 -0.001 0.000 0.243 241 I C 2.611 178.823 176.117 0.159 0.000 1.085 241 I CA 1.767 63.137 61.300 0.117 0.000 1.347 241 I CB -0.516 37.535 38.000 0.086 0.000 1.044 241 I HN 0.359 nan 8.210 nan 0.000 0.408 242 C N 0.524 119.856 119.300 0.052 0.000 2.432 242 C HA -0.153 4.306 4.460 -0.001 0.000 0.277 242 C C 3.192 178.225 174.990 0.071 0.000 1.249 242 C CA 0.854 59.907 59.018 0.058 0.000 1.725 242 C CB -1.307 26.439 27.740 0.010 0.000 2.028 242 C HN 0.619 nan 8.230 nan 0.000 0.477 243 A N 1.448 124.293 122.820 0.042 0.000 1.865 243 A HA -0.215 4.104 4.320 -0.001 0.000 0.217 243 A C 1.912 179.489 177.584 -0.010 0.000 1.191 243 A CA 2.216 54.262 52.037 0.015 0.000 0.623 243 A CB -0.702 18.298 19.000 -0.001 0.000 0.826 243 A HN 0.649 nan 8.150 nan 0.000 0.444 244 N N -1.307 117.369 118.700 -0.040 0.000 2.166 244 N HA -0.129 4.610 4.740 -0.001 0.000 0.186 244 N C 1.174 176.556 175.510 -0.213 0.000 1.019 244 N CA 1.474 54.432 53.050 -0.154 0.000 0.856 244 N CB -0.503 37.838 38.487 -0.243 0.000 0.993 244 N HN 0.640 nan 8.380 nan 0.000 0.426 245 Y N 0.459 120.748 120.300 -0.020 0.000 2.466 245 Y HA 0.049 4.598 4.550 -0.001 0.000 0.272 245 Y C 0.152 176.041 175.900 -0.019 0.000 1.169 245 Y CA -0.258 57.831 58.100 -0.019 0.000 1.285 245 Y CB -0.029 38.420 38.460 -0.019 0.000 1.078 245 Y HN -0.013 nan 8.280 nan 0.000 0.523 246 D N 0.814 121.269 120.400 0.091 0.000 2.705 246 D HA -0.218 4.421 4.640 -0.001 0.000 0.240 246 D C -0.880 175.451 176.300 0.051 0.000 1.137 246 D CA 0.507 54.536 54.000 0.049 0.000 0.677 246 D CB -1.300 39.515 40.800 0.024 0.000 1.049 246 D HN 0.342 nan 8.370 nan 0.000 0.427 247 I N 0.273 120.882 120.570 0.064 0.000 2.436 247 I HA 0.398 4.567 4.170 -0.001 0.000 0.289 247 I C -1.991 174.154 176.117 0.046 0.000 1.010 247 I CA -2.312 59.015 61.300 0.045 0.000 1.098 247 I CB 2.129 40.156 38.000 0.045 0.000 1.266 247 I HN -0.117 nan 8.210 nan 0.000 0.434 248 P HA 0.001 nan 4.420 nan 0.000 0.267 248 P C -1.096 176.306 177.300 0.169 0.000 1.200 248 P CA 0.233 63.364 63.100 0.051 0.000 0.772 248 P CB 0.283 31.984 31.700 0.002 0.000 0.855 249 H N 1.223 120.343 119.070 0.084 0.000 2.727 249 H HA 0.457 5.012 4.556 -0.001 0.000 0.330 249 H C -1.389 174.058 175.328 0.197 0.000 0.986 249 H CA -0.965 55.165 56.048 0.137 0.000 1.251 249 H CB 0.839 30.670 29.762 0.115 0.000 1.493 249 H HN 0.052 nan 8.280 nan 0.000 0.515 250 V N 6.535 126.683 119.914 0.390 0.000 2.417 250 V HA 0.194 4.313 4.120 -0.001 0.000 0.291 250 V C -0.241 176.035 176.094 0.304 0.000 1.024 250 V CA -0.743 61.721 62.300 0.274 0.000 0.861 250 V CB 1.562 33.553 31.823 0.280 0.000 0.985 250 V HN 0.495 nan 8.190 nan 0.000 0.436 251 V N 4.688 124.707 119.914 0.174 0.000 2.347 251 V HA 0.300 4.419 4.120 -0.001 0.000 0.280 251 V C 0.520 176.757 176.094 0.238 0.000 1.021 251 V CA -0.602 61.811 62.300 0.189 0.000 0.847 251 V CB 1.394 33.252 31.823 0.057 0.000 0.990 251 V HN 0.945 nan 8.190 nan 0.000 0.444 252 N N 3.876 122.764 118.700 0.314 0.000 2.466 252 N HA 0.049 4.788 4.740 -0.001 0.000 0.263 252 N C 0.395 175.987 175.510 0.137 0.000 1.178 252 N CA -0.200 53.013 53.050 0.273 0.000 0.983 252 N CB 0.154 38.890 38.487 0.415 0.000 1.331 252 N HN 0.656 nan 8.380 nan 0.000 0.500 253 N N 3.141 121.912 118.700 0.119 0.000 2.378 253 N HA 0.159 4.898 4.740 -0.001 0.000 0.243 253 N C 1.215 176.755 175.510 0.050 0.000 1.137 253 N CA -0.098 52.987 53.050 0.059 0.000 0.862 253 N CB 0.233 38.797 38.487 0.128 0.000 1.116 253 N HN 0.614 nan 8.380 nan 0.000 0.499 254 A N 0.528 123.398 122.820 0.083 0.000 1.894 254 A HA -0.246 4.073 4.320 -0.001 0.000 0.220 254 A C 1.181 178.881 177.584 0.194 0.000 1.237 254 A CA 2.105 54.231 52.037 0.148 0.000 0.660 254 A CB -0.957 18.173 19.000 0.216 0.000 0.835 254 A HN 0.682 nan 8.150 nan 0.000 0.461 255 Y N -2.967 117.310 120.300 -0.038 0.000 2.713 255 Y HA 0.633 5.182 4.550 -0.002 0.000 0.269 255 Y C 1.177 177.032 175.900 -0.074 0.000 1.106 255 Y CA -0.093 57.972 58.100 -0.058 0.000 1.174 255 Y CB -0.306 38.113 38.460 -0.069 0.000 1.186 255 Y HN 0.071 nan 8.280 nan 0.000 0.555 256 G N 0.561 109.271 108.800 -0.150 0.000 2.887 256 G HA2 -0.050 3.909 3.960 -0.001 0.000 0.211 256 G HA3 -0.050 3.909 3.960 -0.001 0.000 0.211 256 G C 1.132 175.966 174.900 -0.111 0.000 1.152 256 G CA 0.225 45.213 45.100 -0.186 0.000 0.769 256 G HN 0.551 nan 8.290 nan 0.000 0.541 257 L N 0.916 122.108 121.223 -0.051 0.000 2.046 257 L HA -0.127 4.212 4.340 -0.001 0.000 0.208 257 L C 3.027 179.858 176.870 -0.065 0.000 1.077 257 L CA 2.074 56.894 54.840 -0.032 0.000 0.747 257 L CB -0.212 41.846 42.059 -0.001 0.000 0.896 257 L HN 0.480 nan 8.230 nan 0.000 0.432 258 Q N -0.965 118.778 119.800 -0.094 0.000 2.561 258 Q HA -0.096 4.244 4.340 -0.001 0.000 0.217 258 Q C 0.663 176.580 176.000 -0.138 0.000 0.980 258 Q CA 0.811 56.542 55.803 -0.121 0.000 0.927 258 Q CB -0.222 28.447 28.738 -0.115 0.000 0.980 258 Q HN 0.386 nan 8.270 nan 0.000 0.525 259 S N 0.476 116.089 115.700 -0.146 0.000 2.566 259 S HA 0.256 4.725 4.470 -0.001 0.000 0.324 259 S C 0.752 175.222 174.600 -0.218 0.000 1.081 259 S CA -0.223 57.867 58.200 -0.182 0.000 1.105 259 S CB 1.517 64.597 63.200 -0.201 0.000 0.981 259 S HN 0.415 nan 8.310 nan 0.000 0.464 260 S N 5.435 120.987 115.700 -0.247 0.000 2.400 260 S HA -0.112 4.357 4.470 -0.001 0.000 0.232 260 S C 1.732 176.038 174.600 -0.491 0.000 1.025 260 S CA 0.600 58.545 58.200 -0.426 0.000 0.993 260 S CB -0.315 62.677 63.200 -0.346 0.000 0.808 260 S HN 0.681 nan 8.310 nan 0.000 0.478 261 K N 1.098 121.350 120.400 -0.247 0.000 2.026 261 K HA 0.029 4.348 4.320 -0.001 0.000 0.208 261 K C 2.455 178.977 176.600 -0.130 0.000 1.048 261 K CA 1.278 57.485 56.287 -0.134 0.000 0.929 261 K CB -1.354 31.076 32.500 -0.117 0.000 0.713 261 K HN 0.501 nan 8.250 nan 0.000 0.439 262 C N 1.039 120.236 119.300 -0.171 0.000 2.432 262 C HA -0.059 4.400 4.460 -0.001 0.000 0.277 262 C C 2.855 177.749 174.990 -0.160 0.000 1.249 262 C CA 0.571 59.493 59.018 -0.160 0.000 1.725 262 C CB -0.597 27.030 27.740 -0.187 0.000 2.028 262 C HN 0.437 nan 8.230 nan 0.000 0.477 263 M N 0.151 119.631 119.600 -0.201 0.000 2.132 263 M HA -0.091 4.388 4.480 -0.001 0.000 0.263 263 M C 2.025 178.260 176.300 -0.108 0.000 1.065 263 M CA 1.731 56.915 55.300 -0.194 0.000 1.122 263 M CB -1.690 30.793 32.600 -0.194 0.000 1.365 263 M HN 0.469 nan 8.290 nan 0.000 0.411 264 H N -0.099 118.924 119.070 -0.077 0.000 2.387 264 H HA -0.077 4.478 4.556 -0.001 0.000 0.299 264 H C 2.106 177.386 175.328 -0.080 0.000 1.090 264 H CA 1.145 57.156 56.048 -0.062 0.000 1.332 264 H CB -0.750 28.991 29.762 -0.035 0.000 1.386 264 H HN 0.188 nan 8.280 nan 0.000 0.516 265 L N 0.661 121.901 121.223 0.028 0.000 2.042 265 L HA -0.130 4.209 4.340 -0.001 0.000 0.210 265 L C 2.316 179.147 176.870 -0.066 0.000 1.076 265 L CA 1.270 56.096 54.840 -0.024 0.000 0.749 265 L CB -0.701 41.331 42.059 -0.046 0.000 0.893 265 L HN 0.160 nan 8.230 nan 0.000 0.432 266 I N -1.396 119.102 120.570 -0.120 0.000 2.202 266 I HA -0.299 3.871 4.170 -0.001 0.000 0.242 266 I C 2.502 178.522 176.117 -0.162 0.000 1.091 266 I CA 1.165 62.352 61.300 -0.190 0.000 1.368 266 I CB -0.322 37.434 38.000 -0.406 0.000 1.058 266 I HN 0.330 nan 8.210 nan 0.000 0.410 267 Q N 0.796 120.521 119.800 -0.126 0.000 2.061 267 Q HA -0.253 4.086 4.340 -0.001 0.000 0.204 267 Q C 2.219 178.121 176.000 -0.164 0.000 0.984 267 Q CA 1.851 57.568 55.803 -0.145 0.000 0.846 267 Q CB -0.199 28.481 28.738 -0.097 0.000 0.902 267 Q HN 0.371 nan 8.270 nan 0.000 0.421 268 Q N -0.814 118.929 119.800 -0.095 0.000 2.050 268 Q HA -0.072 4.267 4.340 -0.001 0.000 0.202 268 Q C 2.054 177.994 176.000 -0.101 0.000 0.980 268 Q CA 1.557 57.312 55.803 -0.081 0.000 0.840 268 Q CB -0.925 27.787 28.738 -0.043 0.000 0.898 268 Q HN 0.571 nan 8.270 nan 0.000 0.424 269 G N 0.878 109.620 108.800 -0.097 0.000 2.469 269 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.219 269 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.219 269 G C 1.531 176.337 174.900 -0.156 0.000 1.150 269 G CA 1.475 46.528 45.100 -0.079 0.000 0.763 269 G HN 0.475 nan 8.290 nan 0.000 0.561 270 A N 0.146 122.773 122.820 -0.322 0.000 2.014 270 A HA 0.117 4.436 4.320 -0.001 0.000 0.218 270 A C 2.298 179.659 177.584 -0.372 0.000 1.163 270 A CA 1.648 53.342 52.037 -0.572 0.000 0.652 270 A CB -0.323 17.823 19.000 -1.424 0.000 0.808 270 A HN 0.385 nan 8.150 nan 0.000 0.449 271 R N -0.037 120.312 120.500 -0.251 0.000 2.119 271 R HA -0.053 4.287 4.340 -0.001 0.000 0.222 271 R C 1.692 177.932 176.300 -0.099 0.000 1.088 271 R CA 1.681 57.692 56.100 -0.149 0.000 0.984 271 R CB -0.121 30.119 30.300 -0.099 0.000 0.884 271 R HN 0.486 nan 8.270 nan 0.000 0.447 272 V N -3.287 116.574 119.914 -0.089 0.000 3.660 272 V HA 0.494 4.613 4.120 -0.001 0.000 0.276 272 V C 0.549 176.615 176.094 -0.046 0.000 1.317 272 V CA 0.616 62.882 62.300 -0.056 0.000 1.097 272 V CB 0.640 32.437 31.823 -0.042 0.000 0.863 272 V HN 0.366 nan 8.190 nan 0.000 0.438 273 G N 0.450 109.217 108.800 -0.055 0.000 2.635 273 G HA2 0.445 4.404 3.960 -0.001 0.000 0.194 273 G HA3 0.445 4.404 3.960 -0.001 0.000 0.194 273 G C -1.206 173.679 174.900 -0.025 0.000 1.198 273 G CA -0.654 44.430 45.100 -0.027 0.000 0.972 273 G HN 0.347 nan 8.290 nan 0.000 0.520 274 R N 0.057 120.579 120.500 0.038 0.000 2.343 274 R HA 0.725 5.065 4.340 -0.001 0.000 0.320 274 R C -1.295 175.110 176.300 0.175 0.000 0.956 274 R CA -0.478 55.665 56.100 0.072 0.000 0.836 274 R CB 0.670 31.018 30.300 0.080 0.000 1.151 274 R HN 0.363 nan 8.270 nan 0.000 0.450 275 I N 4.336 124.969 120.570 0.105 0.000 2.500 275 I HA 0.168 4.337 4.170 -0.001 0.000 0.286 275 I C -0.079 176.216 176.117 0.297 0.000 1.063 275 I CA -0.576 60.805 61.300 0.135 0.000 1.062 275 I CB 2.310 40.366 38.000 0.093 0.000 1.223 275 I HN 0.705 nan 8.210 nan 0.000 0.435 276 D N 4.714 125.261 120.400 0.245 0.000 2.277 276 D HA 0.224 4.863 4.640 -0.001 0.000 0.209 276 D C 0.508 177.060 176.300 0.420 0.000 0.970 276 D CA 0.658 54.815 54.000 0.261 0.000 0.874 276 D CB 1.034 41.846 40.800 0.019 0.000 0.982 276 D HN 0.542 nan 8.370 nan 0.000 0.504 277 A N 0.498 123.516 122.820 0.330 0.000 2.574 277 A HA 0.567 4.887 4.320 -0.001 0.000 0.297 277 A C -1.691 176.012 177.584 0.198 0.000 1.062 277 A CA -0.827 51.327 52.037 0.194 0.000 0.686 277 A CB 0.995 20.082 19.000 0.146 0.000 1.285 277 A HN 0.097 nan 8.150 nan 0.000 0.403 278 F N 0.023 119.937 119.950 -0.060 0.000 2.569 278 F HA 0.815 5.342 4.527 -0.002 0.000 0.312 278 F C -1.116 174.623 175.800 -0.101 0.000 1.109 278 F CA -1.149 56.814 58.000 -0.062 0.000 0.919 278 F CB 1.592 40.565 39.000 -0.045 0.000 1.211 278 F HN 0.332 nan 8.300 nan 0.000 0.446 279 V N 3.846 123.770 119.914 0.016 0.000 2.604 279 V HA 0.585 4.704 4.120 -0.001 0.000 0.305 279 V C -0.959 175.146 176.094 0.018 0.000 1.043 279 V CA -0.562 61.685 62.300 -0.088 0.000 0.888 279 V CB 1.738 33.500 31.823 -0.102 0.000 0.995 279 V HN 0.881 nan 8.190 nan 0.000 0.429 280 Q N 1.921 121.715 119.800 -0.010 0.000 2.379 280 Q HA 0.562 4.902 4.340 -0.001 0.000 0.278 280 Q C -1.035 174.998 176.000 0.055 0.000 1.068 280 Q CA -0.718 55.119 55.803 0.057 0.000 0.816 280 Q CB 1.936 30.732 28.738 0.097 0.000 1.387 280 Q HN 0.495 nan 8.270 nan 0.000 0.413 281 S N 1.771 117.523 115.700 0.087 0.000 2.549 281 S HA 0.198 4.667 4.470 -0.001 0.000 0.279 281 S C 1.431 176.119 174.600 0.147 0.000 1.321 281 S CA -0.430 57.825 58.200 0.091 0.000 1.054 281 S CB 0.440 63.695 63.200 0.092 0.000 0.899 281 S HN 0.562 nan 8.310 nan 0.000 0.497 282 L N 1.866 123.176 121.223 0.145 0.000 2.023 282 L HA -0.047 4.292 4.340 -0.001 0.000 0.205 282 L C 1.639 178.659 176.870 0.251 0.000 1.073 282 L CA 0.842 55.830 54.840 0.247 0.000 0.745 282 L CB -0.531 41.585 42.059 0.095 0.000 0.900 282 L HN 0.758 nan 8.230 nan 0.000 0.435 286 F N 1.337 121.358 119.950 0.118 0.000 2.798 286 F HA 0.469 4.996 4.527 -0.001 0.000 0.328 286 F C 0.388 176.242 175.800 0.091 0.000 1.098 286 F CA -0.036 58.036 58.000 0.120 0.000 1.172 286 F CB 0.195 39.202 39.000 0.011 0.000 1.072 286 F HN -0.198 nan 8.300 nan 0.000 0.555 287 M N 1.203 120.912 119.600 0.181 0.000 2.399 287 M HA -0.143 4.336 4.480 -0.001 0.000 0.191 287 M C -0.824 175.550 176.300 0.123 0.000 0.732 287 M CA 0.310 55.685 55.300 0.124 0.000 0.512 287 M CB -1.788 30.876 32.600 0.106 0.000 1.191 287 M HN 0.014 nan 8.290 nan 0.000 0.894 288 V N -3.311 116.676 119.914 0.121 0.000 3.141 288 V HA 0.922 5.041 4.120 -0.001 0.000 0.312 288 V C -2.498 173.641 176.094 0.075 0.000 1.157 288 V CA -2.330 60.026 62.300 0.093 0.000 1.041 288 V CB 1.726 33.601 31.823 0.087 0.000 1.071 288 V HN 0.085 nan 8.190 nan 0.000 0.441 289 P HA 0.153 nan 4.420 nan 0.000 0.266 289 P C -0.158 177.175 177.300 0.055 0.000 1.193 289 P CA 0.076 63.210 63.100 0.056 0.000 0.770 289 P CB 0.302 32.035 31.700 0.055 0.000 0.836 290 V N 2.323 122.267 119.914 0.051 0.000 2.814 290 V HA 0.245 4.365 4.120 -0.001 0.000 0.307 290 V C 1.612 177.734 176.094 0.046 0.000 1.089 290 V CA 2.156 64.485 62.300 0.049 0.000 1.212 290 V CB -0.123 31.728 31.823 0.047 0.000 0.912 290 V HN 1.049 nan 8.190 nan 0.000 0.497 291 G N 2.827 111.653 108.800 0.043 0.000 2.559 291 G HA2 0.056 4.015 3.960 -0.001 0.000 0.202 291 G HA3 0.056 4.015 3.960 -0.001 0.000 0.202 291 G C 0.192 175.108 174.900 0.026 0.000 0.992 291 G CA -0.159 44.963 45.100 0.038 0.000 0.764 291 G HN 1.293 nan 8.290 nan 0.000 0.525 292 G N -0.533 108.278 108.800 0.019 0.000 2.537 292 G HA2 1.016 4.976 3.960 -0.001 0.000 0.308 292 G HA3 1.016 4.976 3.960 -0.001 0.000 0.308 292 G C -0.472 174.423 174.900 -0.009 0.000 1.237 292 G CA 0.110 45.206 45.100 -0.006 0.000 0.968 292 G HN 1.508 nan 8.290 nan 0.000 0.481 293 A N -0.372 122.417 122.820 -0.052 0.000 2.602 293 A HA 0.811 5.130 4.320 -0.001 0.000 0.290 293 A C -1.499 175.987 177.584 -0.164 0.000 1.114 293 A CA -0.618 51.376 52.037 -0.072 0.000 0.683 293 A CB 1.153 20.109 19.000 -0.072 0.000 1.281 293 A HN 0.724 nan 8.150 nan 0.000 0.416 294 I N 0.853 121.306 120.570 -0.194 0.000 2.436 294 I HA 0.421 4.590 4.170 -0.001 0.000 0.289 294 I C -0.912 174.934 176.117 -0.451 0.000 1.010 294 I CA -0.223 60.881 61.300 -0.327 0.000 1.098 294 I CB 1.794 39.661 38.000 -0.222 0.000 1.266 294 I HN 0.458 nan 8.210 nan 0.000 0.434 295 I N 5.578 125.704 120.570 -0.741 0.000 2.336 295 I HA 0.708 4.878 4.170 -0.001 0.000 0.292 295 I C 0.136 175.795 176.117 -0.762 0.000 0.991 295 I CA -0.201 60.637 61.300 -0.771 0.000 1.227 295 I CB 1.568 39.000 38.000 -0.945 0.000 1.366 295 I HN 0.664 nan 8.210 nan 0.000 0.466 296 A N 4.375 126.713 122.820 -0.803 0.000 2.527 296 A HA 1.007 5.327 4.320 -0.001 0.000 0.293 296 A C -0.441 176.609 177.584 -0.890 0.000 1.117 296 A CA -0.413 51.077 52.037 -0.911 0.000 0.723 296 A CB 1.997 20.223 19.000 -1.289 0.000 1.313 296 A HN 0.832 nan 8.150 nan 0.000 0.411 297 G N -1.522 106.902 108.800 -0.626 0.000 2.554 297 G HA2 0.517 4.476 3.960 -0.001 0.000 0.306 297 G HA3 0.517 4.476 3.960 -0.001 0.000 0.306 297 G C -0.907 173.710 174.900 -0.471 0.000 1.320 297 G CA -0.322 44.525 45.100 -0.420 0.000 0.800 297 G HN 0.538 nan 8.290 nan 0.000 0.481 298 F N -0.169 119.885 119.950 0.174 0.000 2.724 298 F HA 0.410 4.936 4.527 -0.002 0.000 0.306 298 F C 1.050 176.920 175.800 0.116 0.000 1.100 298 F CA -0.440 57.642 58.000 0.137 0.000 1.255 298 F CB 0.856 39.929 39.000 0.122 0.000 1.072 298 F HN 0.293 nan 8.300 nan 0.000 0.589 299 N N 1.367 120.232 118.700 0.276 0.000 2.511 299 N HA 0.043 4.782 4.740 -0.001 0.000 0.249 299 N C 0.726 176.345 175.510 0.182 0.000 0.971 299 N CA 0.224 53.407 53.050 0.221 0.000 0.938 299 N CB 1.266 39.893 38.487 0.233 0.000 1.131 299 N HN 0.247 nan 8.380 nan 0.000 0.505 300 E N 4.022 124.293 120.200 0.119 0.000 2.051 300 E HA -0.081 4.268 4.350 -0.001 0.000 0.192 300 E C -0.990 175.648 176.600 0.065 0.000 0.991 300 E CA 1.239 57.681 56.400 0.069 0.000 0.799 300 E CB -0.237 29.491 29.700 0.047 0.000 0.748 300 E HN 0.505 nan 8.360 nan 0.000 0.449 301 P HA -0.171 nan 4.420 nan 0.000 0.216 301 P C 1.047 178.420 177.300 0.121 0.000 1.153 301 P CA 1.078 64.227 63.100 0.082 0.000 0.858 301 P CB -0.147 31.609 31.700 0.093 0.000 0.789 302 F N 0.153 120.122 119.950 0.031 0.000 2.146 302 F HA -0.144 4.382 4.527 -0.002 0.000 0.298 302 F C 1.921 177.746 175.800 0.041 0.000 1.096 302 F CA 1.275 59.299 58.000 0.040 0.000 1.275 302 F CB -0.778 38.257 39.000 0.058 0.000 1.008 302 F HN -0.257 nan 8.300 nan 0.000 0.480 303 I N 0.651 121.136 120.570 -0.141 0.000 2.226 303 I HA -0.293 3.876 4.170 -0.001 0.000 0.245 303 I C 2.316 178.335 176.117 -0.163 0.000 1.100 303 I CA 1.344 62.532 61.300 -0.187 0.000 1.374 303 I CB -1.644 36.334 38.000 -0.036 0.000 1.057 303 I HN 0.329 nan 8.210 nan 0.000 0.413 304 Q N 0.313 120.031 119.800 -0.137 0.000 2.096 304 Q HA -0.234 4.105 4.340 -0.001 0.000 0.204 304 Q C 1.832 177.709 176.000 -0.206 0.000 0.982 304 Q CA 1.690 57.383 55.803 -0.184 0.000 0.850 304 Q CB -0.114 28.560 28.738 -0.106 0.000 0.901 304 Q HN 0.476 nan 8.270 nan 0.000 0.422 305 D N 0.430 120.735 120.400 -0.159 0.000 2.144 305 D HA -0.122 4.517 4.640 -0.001 0.000 0.199 305 D C 1.810 178.004 176.300 -0.177 0.000 0.984 305 D CA 0.928 54.853 54.000 -0.125 0.000 0.834 305 D CB -0.126 40.664 40.800 -0.017 0.000 0.955 305 D HN 0.270 nan 8.370 nan 0.000 0.465 306 I N 1.045 121.442 120.570 -0.288 0.000 2.179 306 I HA -0.279 3.890 4.170 -0.001 0.000 0.242 306 I C 2.550 178.593 176.117 -0.124 0.000 1.088 306 I CA 1.339 62.532 61.300 -0.179 0.000 1.357 306 I CB -0.423 37.475 38.000 -0.170 0.000 1.051 306 I HN 0.009 nan 8.210 nan 0.000 0.409 307 S N 1.077 116.529 115.700 -0.414 0.000 2.382 307 S HA -0.199 4.271 4.470 -0.001 0.000 0.228 307 S C 1.957 176.361 174.600 -0.325 0.000 1.027 307 S CA 1.024 58.772 58.200 -0.753 0.000 0.991 307 S CB -0.451 61.850 63.200 -1.498 0.000 0.823 307 S HN 0.389 nan 8.310 nan 0.000 0.469 308 K N -0.011 120.245 120.400 -0.239 0.000 2.283 308 K HA 0.110 4.430 4.320 -0.001 0.000 0.202 308 K C 1.919 178.479 176.600 -0.067 0.000 1.048 308 K CA 1.134 57.341 56.287 -0.133 0.000 0.948 308 K CB -0.250 32.179 32.500 -0.119 0.000 0.742 308 K HN 0.325 nan 8.250 nan 0.000 0.458 309 M N -0.014 119.558 119.600 -0.048 0.000 2.476 309 M HA -0.067 4.412 4.480 -0.001 0.000 0.262 309 M C -0.011 176.299 176.300 0.017 0.000 1.079 309 M CA 0.782 56.075 55.300 -0.011 0.000 1.104 309 M CB -0.062 32.549 32.600 0.018 0.000 1.409 309 M HN 0.020 nan 8.290 nan 0.000 0.467 310 Y N 3.077 123.337 120.300 -0.067 0.000 2.496 310 Y HA 0.255 4.804 4.550 -0.001 0.000 0.334 310 Y C -2.111 173.761 175.900 -0.046 0.000 1.080 310 Y CA -2.369 55.705 58.100 -0.043 0.000 1.355 310 Y CB 0.280 38.712 38.460 -0.046 0.000 1.193 310 Y HN 0.117 nan 8.280 nan 0.000 0.523 311 P HA 0.391 nan 4.420 nan 0.000 0.292 311 P C -0.138 177.162 177.300 0.000 0.000 1.326 311 P CA 0.344 63.388 63.100 -0.094 0.000 0.787 311 P CB 1.094 32.706 31.700 -0.147 0.000 0.903 312 G N 3.018 111.890 108.800 0.121 0.000 2.655 312 G HA2 -0.136 3.824 3.960 -0.001 0.000 0.680 312 G HA3 -0.136 3.824 3.960 -0.001 0.000 0.680 312 G C -0.697 174.324 174.900 0.202 0.000 1.302 312 G CA -1.026 44.153 45.100 0.132 0.000 0.872 312 G HN 0.582 nan 8.290 nan 0.000 0.540 313 R N -0.292 120.276 120.500 0.113 0.000 2.707 313 R HA 0.622 4.961 4.340 -0.001 0.000 0.270 313 R C 0.595 176.943 176.300 0.081 0.000 1.083 313 R CA 0.460 56.596 56.100 0.058 0.000 1.182 313 R CB 0.837 31.158 30.300 0.036 0.000 1.084 313 R HN 1.455 nan 8.270 nan 0.000 0.528 314 A N 0.372 123.174 122.820 -0.031 0.000 2.532 314 A HA 0.352 4.672 4.320 -0.001 0.000 0.290 314 A C -0.642 176.907 177.584 -0.059 0.000 1.143 314 A CA -0.604 51.401 52.037 -0.054 0.000 0.728 314 A CB 1.673 20.495 19.000 -0.296 0.000 1.317 314 A HN 0.566 nan 8.150 nan 0.000 0.414 315 S N -0.378 115.297 115.700 -0.042 0.000 2.558 315 S HA 0.341 4.810 4.470 -0.001 0.000 0.288 315 S C 1.119 175.674 174.600 -0.075 0.000 1.318 315 S CA 0.309 58.478 58.200 -0.052 0.000 1.056 315 S CB 0.619 63.800 63.200 -0.032 0.000 0.853 315 S HN 1.759 nan 8.310 nan 0.000 0.505 316 A N 3.930 126.704 122.820 -0.078 0.000 2.275 316 A HA 0.212 4.531 4.320 -0.001 0.000 0.212 316 A C 2.137 179.674 177.584 -0.077 0.000 1.201 316 A CA 0.709 52.687 52.037 -0.098 0.000 0.843 316 A CB -0.555 18.375 19.000 -0.116 0.000 0.873 316 A HN 0.786 nan 8.150 nan 0.000 0.492 317 S N 0.859 116.539 115.700 -0.033 0.000 2.355 317 S HA -0.064 4.406 4.470 -0.001 0.000 0.222 317 S C -0.315 174.293 174.600 0.012 0.000 1.031 317 S CA 1.717 59.940 58.200 0.039 0.000 0.993 317 S CB -0.688 62.569 63.200 0.095 0.000 0.859 317 S HN 0.425 nan 8.310 nan 0.000 0.453 318 P HA 0.006 nan 4.420 nan 0.000 0.216 318 P C 1.564 178.816 177.300 -0.080 0.000 1.153 318 P CA 1.168 64.248 63.100 -0.033 0.000 0.848 318 P CB -0.137 31.541 31.700 -0.038 0.000 0.787 319 S N -0.354 115.282 115.700 -0.106 0.000 2.359 319 S HA -0.158 4.311 4.470 -0.001 0.000 0.224 319 S C 1.784 176.290 174.600 -0.158 0.000 1.035 319 S CA 1.101 59.212 58.200 -0.149 0.000 1.018 319 S CB -1.248 61.856 63.200 -0.159 0.000 0.876 319 S HN 0.066 nan 8.310 nan 0.000 0.448 320 L N 2.465 123.603 121.223 -0.142 0.000 2.042 320 L HA -0.155 4.185 4.340 -0.001 0.000 0.210 320 L C 1.576 178.397 176.870 -0.083 0.000 1.076 320 L CA 1.931 56.689 54.840 -0.137 0.000 0.749 320 L CB -0.956 41.054 42.059 -0.082 0.000 0.893 320 L HN 0.102 nan 8.230 nan 0.000 0.432 321 D N -0.921 119.454 120.400 -0.041 0.000 2.104 321 D HA -0.205 4.434 4.640 -0.001 0.000 0.194 321 D C 2.349 178.606 176.300 -0.070 0.000 0.994 321 D CA 1.762 55.750 54.000 -0.021 0.000 0.830 321 D CB -0.514 40.291 40.800 0.008 0.000 0.959 321 D HN 0.327 nan 8.370 nan 0.000 0.452 322 V N 0.503 120.335 119.914 -0.137 0.000 2.453 322 V HA -0.134 3.985 4.120 -0.001 0.000 0.247 322 V C 2.298 178.245 176.094 -0.246 0.000 1.048 322 V CA 0.983 63.139 62.300 -0.240 0.000 1.049 322 V CB -0.230 31.350 31.823 -0.404 0.000 0.672 322 V HN 0.090 nan 8.190 nan 0.000 0.457 323 L N 0.120 121.218 121.223 -0.208 0.000 1.994 323 L HA -0.143 4.197 4.340 -0.001 0.000 0.208 323 L C 2.217 178.985 176.870 -0.170 0.000 1.071 323 L CA 2.399 57.121 54.840 -0.197 0.000 0.745 323 L CB -0.488 41.473 42.059 -0.163 0.000 0.892 323 L HN 0.311 nan 8.230 nan 0.000 0.431 324 I N -0.848 119.651 120.570 -0.117 0.000 2.151 324 I HA -0.357 3.812 4.170 -0.001 0.000 0.243 324 I C 2.274 178.352 176.117 -0.065 0.000 1.080 324 I CA 1.946 63.202 61.300 -0.074 0.000 1.339 324 I CB -0.688 37.293 38.000 -0.031 0.000 1.039 324 I HN 0.342 nan 8.210 nan 0.000 0.409 325 T N 1.068 115.587 114.554 -0.059 0.000 2.708 325 T HA -0.118 4.231 4.350 -0.001 0.000 0.266 325 T C 1.924 176.598 174.700 -0.044 0.000 1.037 325 T CA 1.273 63.364 62.100 -0.016 0.000 1.146 325 T CB -0.281 68.600 68.868 0.022 0.000 0.865 325 T HN 0.236 nan 8.240 nan 0.000 0.435 326 L N 0.280 121.422 121.223 -0.134 0.000 2.109 326 L HA 0.054 4.393 4.340 -0.001 0.000 0.207 326 L C 2.435 179.180 176.870 -0.208 0.000 1.086 326 L CA 0.881 55.620 54.840 -0.168 0.000 0.760 326 L CB -0.499 41.400 42.059 -0.265 0.000 0.910 326 L HN 0.241 nan 8.230 nan 0.000 0.437 327 L N -1.126 119.917 121.223 -0.301 0.000 2.141 327 L HA -0.159 4.180 4.340 -0.001 0.000 0.209 327 L C 2.630 179.347 176.870 -0.254 0.000 1.094 327 L CA 0.888 55.432 54.840 -0.494 0.000 0.763 327 L CB -0.419 41.181 42.059 -0.764 0.000 0.908 327 L HN 0.182 nan 8.230 nan 0.000 0.437 328 S N -0.096 115.548 115.700 -0.093 0.000 2.387 328 S HA -0.039 4.430 4.470 -0.001 0.000 0.226 328 S C 1.951 176.575 174.600 0.040 0.000 1.026 328 S CA 0.964 59.177 58.200 0.022 0.000 0.972 328 S CB -0.093 63.135 63.200 0.046 0.000 0.814 328 S HN 0.282 nan 8.310 nan 0.000 0.477 329 L N 0.818 122.060 121.223 0.030 0.000 2.131 329 L HA 0.167 4.506 4.340 -0.001 0.000 0.206 329 L C 1.439 178.345 176.870 0.059 0.000 1.087 329 L CA 0.436 55.319 54.840 0.070 0.000 0.767 329 L CB -1.125 41.012 42.059 0.131 0.000 0.917 329 L HN 0.498 nan 8.230 nan 0.000 0.441 330 G N -1.293 107.512 108.800 0.009 0.000 2.915 330 G HA2 -0.281 3.678 3.960 -0.001 0.000 0.337 330 G HA3 -0.281 3.678 3.960 -0.001 0.000 0.337 330 G C 0.607 175.538 174.900 0.052 0.000 1.477 330 G CA -0.388 44.715 45.100 0.004 0.000 0.916 330 G HN 0.173 nan 8.290 nan 0.000 0.550 331 C N 0.399 119.727 119.300 0.046 0.000 2.413 331 C HA -0.073 4.386 4.460 -0.001 0.000 0.276 331 C C 3.413 178.466 174.990 0.106 0.000 1.248 331 C CA 2.659 61.727 59.018 0.083 0.000 1.742 331 C CB -1.618 26.156 27.740 0.058 0.000 2.017 331 C HN 1.321 nan 8.230 nan 0.000 0.481 332 S N 1.304 117.049 115.700 0.076 0.000 2.356 332 S HA -0.062 4.407 4.470 -0.001 0.000 0.223 332 S C 2.077 176.716 174.600 0.066 0.000 1.032 332 S CA 1.731 59.969 58.200 0.063 0.000 1.005 332 S CB -1.126 62.105 63.200 0.050 0.000 0.867 332 S HN 0.587 nan 8.310 nan 0.000 0.449 333 G N 0.116 108.964 108.800 0.080 0.000 2.440 333 G HA2 -0.217 3.742 3.960 -0.001 0.000 0.218 333 G HA3 -0.217 3.742 3.960 -0.001 0.000 0.218 333 G C 1.335 176.297 174.900 0.103 0.000 1.154 333 G CA 1.002 46.152 45.100 0.083 0.000 0.767 333 G HN 0.558 nan 8.290 nan 0.000 0.552 334 Y N 1.293 121.610 120.300 0.029 0.000 2.163 334 Y HA 0.005 4.555 4.550 -0.001 0.000 0.288 334 Y C 3.062 178.971 175.900 0.015 0.000 1.136 334 Y CA 1.526 59.646 58.100 0.033 0.000 1.147 334 Y CB -0.175 38.322 38.460 0.063 0.000 0.987 334 Y HN 0.051 nan 8.280 nan 0.000 0.509 335 R N 0.190 120.715 120.500 0.042 0.000 2.103 335 R HA -0.227 4.113 4.340 -0.001 0.000 0.242 335 R C 2.377 178.627 176.300 -0.083 0.000 1.142 335 R CA 1.877 57.959 56.100 -0.030 0.000 0.960 335 R CB -0.315 30.004 30.300 0.031 0.000 0.858 335 R HN 0.297 nan 8.270 nan 0.000 0.439 336 K N 1.054 121.424 120.400 -0.050 0.000 2.032 336 K HA -0.144 4.175 4.320 -0.001 0.000 0.209 336 K C 2.104 178.649 176.600 -0.092 0.000 1.048 336 K CA 1.247 57.504 56.287 -0.049 0.000 0.927 336 K CB -0.101 32.389 32.500 -0.016 0.000 0.712 336 K HN 0.107 nan 8.250 nan 0.000 0.441 337 L N 0.979 122.116 121.223 -0.143 0.000 2.042 337 L HA -0.222 4.117 4.340 -0.001 0.000 0.210 337 L C 2.393 179.122 176.870 -0.236 0.000 1.076 337 L CA 1.104 55.832 54.840 -0.187 0.000 0.749 337 L CB -0.393 41.525 42.059 -0.235 0.000 0.893 337 L HN 0.258 nan 8.230 nan 0.000 0.432 338 L N -0.373 120.653 121.223 -0.330 0.000 2.046 338 L HA -0.237 4.102 4.340 -0.001 0.000 0.208 338 L C 2.686 179.472 176.870 -0.141 0.000 1.077 338 L CA 1.355 56.034 54.840 -0.269 0.000 0.747 338 L CB -0.526 41.361 42.059 -0.287 0.000 0.896 338 L HN 0.257 nan 8.230 nan 0.000 0.432 339 K N 0.514 120.851 120.400 -0.105 0.000 2.057 339 K HA -0.184 4.135 4.320 -0.001 0.000 0.206 339 K C 1.940 178.517 176.600 -0.037 0.000 1.050 339 K CA 1.356 57.610 56.287 -0.055 0.000 0.935 339 K CB 0.075 32.552 32.500 -0.038 0.000 0.715 339 K HN 0.306 nan 8.250 nan 0.000 0.439 340 E N 0.122 120.294 120.200 -0.047 0.000 2.110 340 E HA -0.187 4.162 4.350 -0.001 0.000 0.193 340 E C 2.152 178.748 176.600 -0.007 0.000 0.988 340 E CA 0.743 57.127 56.400 -0.027 0.000 0.804 340 E CB 0.007 29.687 29.700 -0.035 0.000 0.745 340 E HN 0.214 nan 8.360 nan 0.000 0.458 341 R N 1.386 121.870 120.500 -0.027 0.000 2.073 341 R HA -0.155 4.184 4.340 -0.001 0.000 0.234 341 R C 1.947 178.280 176.300 0.056 0.000 1.134 341 R CA 1.422 57.524 56.100 0.004 0.000 0.952 341 R CB 0.034 30.308 30.300 -0.044 0.000 0.850 341 R HN 0.037 nan 8.270 nan 0.000 0.433 342 K N 0.277 120.689 120.400 0.020 0.000 2.063 342 K HA -0.171 4.148 4.320 -0.001 0.000 0.208 342 K C 2.043 178.718 176.600 0.125 0.000 1.048 342 K CA 1.867 58.187 56.287 0.055 0.000 0.928 342 K CB -0.065 32.438 32.500 0.005 0.000 0.713 342 K HN 0.361 nan 8.250 nan 0.000 0.442 343 E N 0.083 120.331 120.200 0.081 0.000 2.106 343 E HA -0.125 4.224 4.350 -0.001 0.000 0.192 343 E C 2.017 178.693 176.600 0.127 0.000 0.984 343 E CA 0.897 57.348 56.400 0.085 0.000 0.806 343 E CB 0.056 29.777 29.700 0.034 0.000 0.750 343 E HN 0.182 nan 8.360 nan 0.000 0.458 344 M N -0.218 119.457 119.600 0.126 0.000 2.175 344 M HA -0.083 4.396 4.480 -0.001 0.000 0.264 344 M C 2.086 178.504 176.300 0.196 0.000 1.063 344 M CA 1.082 56.479 55.300 0.161 0.000 1.119 344 M CB -0.755 31.916 32.600 0.118 0.000 1.377 344 M HN 0.118 nan 8.290 nan 0.000 0.415 345 F N 0.868 120.857 119.950 0.065 0.000 2.095 345 F HA -0.211 4.315 4.527 -0.001 0.000 0.298 345 F C 2.203 178.040 175.800 0.063 0.000 1.104 345 F CA 1.521 59.552 58.000 0.052 0.000 1.232 345 F CB -0.351 38.663 39.000 0.024 0.000 0.987 345 F HN -0.128 nan 8.300 nan 0.000 0.475 346 V N -0.504 119.511 119.914 0.168 0.000 2.287 346 V HA -0.336 3.783 4.120 -0.001 0.000 0.248 346 V C 2.055 178.169 176.094 0.033 0.000 1.053 346 V CA 2.267 64.613 62.300 0.078 0.000 1.027 346 V CB -1.129 30.775 31.823 0.135 0.000 0.646 346 V HN 0.518 nan 8.190 nan 0.000 0.447 347 Y N 0.342 120.625 120.300 -0.029 0.000 2.145 347 Y HA -0.236 4.313 4.550 -0.001 0.000 0.286 347 Y C 2.258 178.128 175.900 -0.050 0.000 1.145 347 Y CA 1.811 59.895 58.100 -0.026 0.000 1.148 347 Y CB -0.430 38.030 38.460 0.001 0.000 0.981 347 Y HN 0.202 nan 8.280 nan 0.000 0.507 348 L N -0.436 120.745 121.223 -0.072 0.000 1.990 348 L HA -0.225 4.114 4.340 -0.001 0.000 0.213 348 L C 2.685 179.411 176.870 -0.240 0.000 1.072 348 L CA 2.434 57.183 54.840 -0.153 0.000 0.755 348 L CB -1.547 40.454 42.059 -0.097 0.000 0.889 348 L HN 0.343 nan 8.230 nan 0.000 0.432 349 S N -1.670 113.818 115.700 -0.353 0.000 2.353 349 S HA -0.227 4.242 4.470 -0.001 0.000 0.222 349 S C 1.928 176.410 174.600 -0.198 0.000 1.035 349 S CA 2.026 60.029 58.200 -0.328 0.000 1.025 349 S CB -0.573 62.361 63.200 -0.444 0.000 0.902 349 S HN 0.704 nan 8.310 nan 0.000 0.440 350 T N 2.276 116.721 114.554 -0.182 0.000 2.684 350 T HA -0.101 4.248 4.350 -0.001 0.000 0.267 350 T C 2.031 176.622 174.700 -0.183 0.000 1.036 350 T CA 1.408 63.421 62.100 -0.145 0.000 1.148 350 T CB -0.398 68.405 68.868 -0.107 0.000 0.863 350 T HN 0.382 nan 8.240 nan 0.000 0.436 351 Q N 0.354 119.975 119.800 -0.299 0.000 2.084 351 Q HA 0.028 4.367 4.340 -0.001 0.000 0.202 351 Q C 2.415 178.317 176.000 -0.165 0.000 0.978 351 Q CA 0.941 56.572 55.803 -0.288 0.000 0.844 351 Q CB -0.752 27.708 28.738 -0.464 0.000 0.898 351 Q HN 0.361 nan 8.270 nan 0.000 0.426 352 L N 1.300 122.446 121.223 -0.128 0.000 2.093 352 L HA -0.122 4.217 4.340 -0.001 0.000 0.208 352 L C 2.321 179.160 176.870 -0.053 0.000 1.085 352 L CA 1.779 56.581 54.840 -0.063 0.000 0.755 352 L CB -0.473 41.587 42.059 0.002 0.000 0.904 352 L HN 0.088 nan 8.230 nan 0.000 0.435 353 K N -0.384 119.978 120.400 -0.064 0.000 2.026 353 K HA -0.268 4.051 4.320 -0.001 0.000 0.208 353 K C 2.308 178.888 176.600 -0.034 0.000 1.048 353 K CA 1.823 58.085 56.287 -0.041 0.000 0.929 353 K CB -0.152 32.320 32.500 -0.046 0.000 0.713 353 K HN 0.274 nan 8.250 nan 0.000 0.439 354 K N 0.951 121.321 120.400 -0.051 0.000 2.009 354 K HA -0.184 4.135 4.320 -0.001 0.000 0.210 354 K C 2.267 178.853 176.600 -0.023 0.000 1.049 354 K CA 1.606 57.868 56.287 -0.042 0.000 0.929 354 K CB -0.253 32.211 32.500 -0.059 0.000 0.714 354 K HN 0.264 nan 8.250 nan 0.000 0.440 355 L N 0.477 121.684 121.223 -0.027 0.000 2.017 355 L HA -0.175 4.164 4.340 -0.001 0.000 0.208 355 L C 2.381 179.310 176.870 0.099 0.000 1.073 355 L CA 1.784 56.640 54.840 0.027 0.000 0.745 355 L CB -0.505 41.526 42.059 -0.046 0.000 0.894 355 L HN 0.316 nan 8.230 nan 0.000 0.432 356 A N -0.041 122.801 122.820 0.036 0.000 1.873 356 A HA -0.294 4.025 4.320 -0.001 0.000 0.218 356 A C 2.056 179.682 177.584 0.070 0.000 1.193 356 A CA 2.176 54.243 52.037 0.051 0.000 0.629 356 A CB -0.808 18.207 19.000 0.025 0.000 0.826 356 A HN 0.656 nan 8.150 nan 0.000 0.447 357 E N -0.385 119.835 120.200 0.033 0.000 2.153 357 E HA -0.083 4.266 4.350 -0.001 0.000 0.194 357 E C 2.213 178.816 176.600 0.004 0.000 0.988 357 E CA 0.820 57.231 56.400 0.018 0.000 0.811 357 E CB -0.306 29.395 29.700 0.001 0.000 0.746 357 E HN 0.633 nan 8.360 nan 0.000 0.466 358 A N 1.049 123.864 122.820 -0.009 0.000 2.019 358 A HA -0.171 4.148 4.320 -0.001 0.000 0.219 358 A C 1.487 178.958 177.584 -0.187 0.000 1.164 358 A CA 1.161 53.142 52.037 -0.093 0.000 0.644 358 A CB -0.403 18.526 19.000 -0.118 0.000 0.805 358 A HN 0.290 nan 8.150 nan 0.000 0.449 359 H N -0.979 118.074 119.070 -0.028 0.000 2.505 359 H HA 0.124 4.679 4.556 -0.001 0.000 0.289 359 H C -0.189 175.132 175.328 -0.012 0.000 1.052 359 H CA 0.221 56.255 56.048 -0.023 0.000 1.156 359 H CB -0.225 29.519 29.762 -0.030 0.000 1.507 359 H HN 0.685 nan 8.280 nan 0.000 0.548 360 N N 1.619 120.357 118.700 0.063 0.000 2.735 360 N HA -0.155 4.584 4.740 -0.001 0.000 0.248 360 N C -0.478 175.066 175.510 0.056 0.000 1.083 360 N CA 0.490 53.567 53.050 0.045 0.000 0.703 360 N CB -0.279 38.227 38.487 0.031 0.000 1.005 360 N HN 0.442 nan 8.380 nan 0.000 0.550 361 E N 0.321 120.561 120.200 0.067 0.000 2.396 361 E HA 0.579 4.929 4.350 -0.001 0.000 0.251 361 E C 0.395 177.022 176.600 0.045 0.000 0.949 361 E CA -0.662 55.773 56.400 0.058 0.000 0.834 361 E CB 1.590 31.326 29.700 0.060 0.000 1.309 361 E HN 0.417 nan 8.360 nan 0.000 0.405 362 R N -0.359 120.169 120.500 0.046 0.000 2.739 362 R HA 0.541 4.880 4.340 -0.001 0.000 0.271 362 R C -1.173 175.150 176.300 0.038 0.000 1.010 362 R CA -0.916 55.205 56.100 0.035 0.000 0.897 362 R CB 0.625 30.943 30.300 0.031 0.000 1.236 362 R HN 0.309 nan 8.270 nan 0.000 0.466 363 L N 2.684 123.921 121.223 0.024 0.000 2.361 363 L HA 0.296 4.635 4.340 -0.001 0.000 0.278 363 L C -0.486 176.400 176.870 0.026 0.000 1.113 363 L CA -0.197 54.656 54.840 0.021 0.000 0.849 363 L CB 0.646 42.704 42.059 -0.001 0.000 1.155 363 L HN 0.569 nan 8.230 nan 0.000 0.452 364 L N 5.189 126.431 121.223 0.032 0.000 2.485 364 L HA 0.046 4.386 4.340 -0.001 0.000 0.275 364 L C 0.536 177.423 176.870 0.029 0.000 1.207 364 L CA 0.224 55.085 54.840 0.034 0.000 0.855 364 L CB 0.062 42.132 42.059 0.018 0.000 1.114 364 L HN 0.614 nan 8.230 nan 0.000 0.485 365 Q N 2.077 121.899 119.800 0.037 0.000 2.402 365 Q HA 0.112 4.451 4.340 -0.001 0.000 0.238 365 Q C -0.004 176.022 176.000 0.042 0.000 1.126 365 Q CA -0.111 55.711 55.803 0.033 0.000 0.904 365 Q CB 0.336 29.091 28.738 0.028 0.000 1.357 365 Q HN 0.637 nan 8.270 nan 0.000 0.491 366 T N -1.810 112.770 114.554 0.044 0.000 3.532 366 T HA 0.241 4.590 4.350 -0.001 0.000 0.241 366 T C -1.931 172.796 174.700 0.045 0.000 1.238 366 T CA -1.544 60.590 62.100 0.055 0.000 1.405 366 T CB 0.506 69.403 68.868 0.049 0.000 0.971 366 T HN 0.257 nan 8.240 nan 0.000 0.640 367 P HA -0.130 nan 4.420 nan 0.000 0.219 367 P C 0.800 177.981 177.300 -0.199 0.000 1.146 367 P CA 1.237 64.264 63.100 -0.122 0.000 0.808 367 P CB -0.085 31.471 31.700 -0.240 0.000 0.779 368 H N -1.960 117.105 119.070 -0.009 0.000 2.555 368 H HA 0.090 4.645 4.556 -0.001 0.000 0.269 368 H C 0.892 176.177 175.328 -0.072 0.000 0.988 368 H CA 0.086 56.110 56.048 -0.040 0.000 1.178 368 H CB -0.237 29.503 29.762 -0.037 0.000 1.373 368 H HN 0.065 nan 8.280 nan 0.000 0.588 369 N N 1.388 120.100 118.700 0.020 0.000 2.457 369 N HA 0.045 4.784 4.740 -0.001 0.000 0.250 369 N C -2.032 173.387 175.510 -0.152 0.000 0.982 369 N CA -1.852 51.173 53.050 -0.042 0.000 0.941 369 N CB 1.527 40.020 38.487 0.009 0.000 1.120 369 N HN 0.104 nan 8.380 nan 0.000 0.505 370 P HA 0.177 nan 4.420 nan 0.000 0.251 370 P C 0.764 177.502 177.300 -0.936 0.000 1.223 370 P CA 0.439 63.157 63.100 -0.638 0.000 0.796 370 P CB 0.921 32.382 31.700 -0.399 0.000 1.068 371 I N -2.095 118.235 120.570 -0.401 0.000 4.033 371 I HA 0.117 4.286 4.170 -0.001 0.000 0.296 371 I C 0.840 177.148 176.117 0.318 0.000 1.210 371 I CA 0.221 61.485 61.300 -0.061 0.000 1.341 371 I CB 0.420 38.426 38.000 0.011 0.000 1.369 371 I HN -0.171 nan 8.210 nan 0.000 0.453 372 S N 1.401 117.263 115.700 0.272 0.000 2.501 372 S HA 0.758 5.227 4.470 -0.001 0.000 0.301 372 S C -0.779 173.991 174.600 0.284 0.000 1.096 372 S CA -0.450 57.922 58.200 0.287 0.000 1.063 372 S CB 0.861 64.208 63.200 0.245 0.000 1.042 372 S HN 0.083 nan 8.310 nan 0.000 0.494 373 L N 2.652 123.997 121.223 0.203 0.000 2.333 373 L HA 0.933 5.273 4.340 -0.001 0.000 0.263 373 L C -0.473 176.447 176.870 0.083 0.000 1.014 373 L CA -0.904 54.004 54.840 0.114 0.000 0.820 373 L CB 2.177 44.241 42.059 0.008 0.000 1.352 373 L HN 0.772 nan 8.230 nan 0.000 0.421 374 A N 2.469 125.315 122.820 0.043 0.000 2.455 374 A HA 0.807 5.127 4.320 -0.001 0.000 0.300 374 A C -0.839 176.785 177.584 0.067 0.000 1.040 374 A CA -0.565 51.506 52.037 0.056 0.000 0.697 374 A CB 1.792 20.729 19.000 -0.106 0.000 1.265 374 A HN 0.710 nan 8.150 nan 0.000 0.407 375 M N 1.200 120.872 119.600 0.120 0.000 2.472 375 M HA 0.708 5.188 4.480 -0.001 0.000 0.331 375 M C 0.288 176.679 176.300 0.152 0.000 1.170 375 M CA -0.318 55.044 55.300 0.103 0.000 1.009 375 M CB 1.494 34.138 32.600 0.073 0.000 1.672 375 M HN 0.716 nan 8.290 nan 0.000 0.453 376 T N 0.501 115.134 114.554 0.130 0.000 2.900 376 T HA 0.362 4.712 4.350 -0.001 0.000 0.307 376 T C 0.262 175.027 174.700 0.109 0.000 1.065 376 T CA -0.532 61.660 62.100 0.153 0.000 1.105 376 T CB 0.465 69.404 68.868 0.118 0.000 0.979 376 T HN 0.765 nan 8.240 nan 0.000 0.544 377 L N 1.327 122.613 121.223 0.105 0.000 3.288 377 L HA 0.289 4.628 4.340 -0.001 0.000 0.293 377 L C 1.854 178.757 176.870 0.054 0.000 1.294 377 L CA -0.435 54.438 54.840 0.054 0.000 1.006 377 L CB 0.073 42.148 42.059 0.026 0.000 1.407 377 L HN 0.757 nan 8.230 nan 0.000 0.592 378 K N 0.110 120.549 120.400 0.066 0.000 2.152 378 K HA -0.152 4.167 4.320 -0.001 0.000 0.206 378 K C 2.063 178.701 176.600 0.063 0.000 1.048 378 K CA 1.971 58.292 56.287 0.058 0.000 0.933 378 K CB -0.099 32.432 32.500 0.052 0.000 0.721 378 K HN 0.444 nan 8.250 nan 0.000 0.447 379 T N -0.553 114.040 114.554 0.065 0.000 2.995 379 T HA -0.043 4.306 4.350 -0.001 0.000 0.269 379 T C 1.816 176.574 174.700 0.096 0.000 1.091 379 T CA 0.860 63.008 62.100 0.081 0.000 1.128 379 T CB -0.401 68.507 68.868 0.067 0.000 0.891 379 T HN 0.410 nan 8.240 nan 0.000 0.492 380 I N -1.991 118.616 120.570 0.061 0.000 4.070 380 I HA 0.452 4.621 4.170 -0.001 0.000 0.328 380 I C 0.295 176.475 176.117 0.106 0.000 1.298 380 I CA -0.558 60.753 61.300 0.018 0.000 1.173 380 I CB 0.012 37.992 38.000 -0.035 0.000 1.051 380 I HN -0.088 nan 8.210 nan 0.000 0.409 381 D N 1.358 121.824 120.400 0.110 0.000 2.329 381 D HA 0.461 5.100 4.640 -0.001 0.000 0.246 381 D C 1.279 177.622 176.300 0.070 0.000 1.111 381 D CA 1.261 55.306 54.000 0.075 0.000 0.941 381 D CB 1.308 42.126 40.800 0.030 0.000 1.169 381 D HN 0.383 nan 8.370 nan 0.000 0.441 382 G N 1.114 109.884 108.800 -0.050 0.000 2.176 382 G HA2 -0.262 3.697 3.960 -0.001 0.000 0.253 382 G HA3 -0.262 3.697 3.960 -0.001 0.000 0.253 382 G C 0.829 175.448 174.900 -0.468 0.000 0.979 382 G CA 0.331 45.282 45.100 -0.249 0.000 0.641 382 G HN 0.680 nan 8.290 nan 0.000 0.530 383 H N 0.319 119.239 119.070 -0.250 0.000 2.526 383 H HA 0.098 4.653 4.556 -0.001 0.000 0.274 383 H C 0.962 176.219 175.328 -0.119 0.000 0.999 383 H CA 0.429 56.366 56.048 -0.185 0.000 1.157 383 H CB 0.166 29.887 29.762 -0.070 0.000 1.407 383 H HN 0.657 nan 8.280 nan 0.000 0.568 384 H N 1.329 120.449 119.070 0.084 0.000 2.756 384 H HA -0.119 4.436 4.556 -0.001 0.000 0.315 384 H C 0.004 175.362 175.328 0.049 0.000 1.210 384 H CA 1.145 57.221 56.048 0.048 0.000 1.150 384 H CB -1.683 28.096 29.762 0.028 0.000 1.463 384 H HN 0.673 nan 8.280 nan 0.000 0.427 385 D N -1.140 119.334 120.400 0.124 0.000 2.562 385 D HA 0.056 4.695 4.640 -0.001 0.000 0.246 385 D C 0.543 176.869 176.300 0.043 0.000 1.347 385 D CA -0.313 53.734 54.000 0.078 0.000 0.800 385 D CB 0.491 41.329 40.800 0.063 0.000 1.111 385 D HN 0.093 nan 8.370 nan 0.000 0.508 386 K N 0.413 120.839 120.400 0.043 0.000 3.035 386 K HA -0.204 4.115 4.320 -0.001 0.000 0.262 386 K C 1.154 177.755 176.600 0.001 0.000 1.024 386 K CA 0.759 57.057 56.287 0.019 0.000 0.748 386 K CB -2.226 30.283 32.500 0.014 0.000 1.247 386 K HN 0.418 nan 8.250 nan 0.000 0.482 387 A N 0.257 123.077 122.820 0.000 0.000 1.933 387 A HA -0.088 4.231 4.320 -0.001 0.000 0.218 387 A C 2.248 179.817 177.584 -0.025 0.000 1.175 387 A CA 1.717 53.742 52.037 -0.019 0.000 0.628 387 A CB -0.072 18.907 19.000 -0.035 0.000 0.814 387 A HN 0.154 nan 8.150 nan 0.000 0.444 388 V N -0.370 119.529 119.914 -0.025 0.000 2.261 388 V HA -0.247 3.873 4.120 -0.001 0.000 0.246 388 V C 2.758 178.822 176.094 -0.049 0.000 1.047 388 V CA 2.565 64.840 62.300 -0.043 0.000 1.015 388 V CB -1.307 30.481 31.823 -0.058 0.000 0.642 388 V HN 0.590 nan 8.190 nan 0.000 0.446 389 T N -0.728 113.799 114.554 -0.046 0.000 2.720 389 T HA -0.301 4.048 4.350 -0.001 0.000 0.268 389 T C 1.908 176.588 174.700 -0.033 0.000 1.037 389 T CA 1.968 64.040 62.100 -0.047 0.000 1.144 389 T CB -0.264 68.581 68.868 -0.039 0.000 0.864 389 T HN 0.562 nan 8.240 nan 0.000 0.444 390 Q N 0.155 119.942 119.800 -0.022 0.000 2.084 390 Q HA -0.135 4.204 4.340 -0.001 0.000 0.202 390 Q C 2.334 178.330 176.000 -0.007 0.000 0.978 390 Q CA 1.241 57.037 55.803 -0.012 0.000 0.844 390 Q CB -0.287 28.444 28.738 -0.012 0.000 0.898 390 Q HN 0.409 nan 8.270 nan 0.000 0.426 391 L N 0.447 121.661 121.223 -0.015 0.000 2.012 391 L HA -0.089 4.250 4.340 -0.001 0.000 0.210 391 L C 2.156 179.033 176.870 0.012 0.000 1.073 391 L CA 2.516 57.350 54.840 -0.010 0.000 0.748 391 L CB -1.085 40.959 42.059 -0.025 0.000 0.891 391 L HN 0.298 nan 8.230 nan 0.000 0.431 392 G N -1.714 107.086 108.800 0.001 0.000 2.440 392 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.218 392 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.218 392 G C 1.589 176.521 174.900 0.053 0.000 1.154 392 G CA 0.952 46.061 45.100 0.014 0.000 0.767 392 G HN 0.495 nan 8.290 nan 0.000 0.552 393 S N 0.337 116.056 115.700 0.031 0.000 2.368 393 S HA -0.060 4.410 4.470 -0.001 0.000 0.225 393 S C 2.411 177.089 174.600 0.129 0.000 1.030 393 S CA 1.404 59.644 58.200 0.067 0.000 0.999 393 S CB -0.254 62.960 63.200 0.024 0.000 0.844 393 S HN 0.364 nan 8.310 nan 0.000 0.459 394 M N 0.770 120.416 119.600 0.078 0.000 2.117 394 M HA -0.066 4.413 4.480 -0.001 0.000 0.262 394 M C 1.960 178.308 176.300 0.080 0.000 1.065 394 M CA 1.310 56.649 55.300 0.065 0.000 1.114 394 M CB -0.580 32.037 32.600 0.028 0.000 1.361 394 M HN 0.246 nan 8.290 nan 0.000 0.408 395 L N -1.112 120.169 121.223 0.097 0.000 2.017 395 L HA -0.213 4.126 4.340 -0.001 0.000 0.208 395 L C 2.483 179.434 176.870 0.134 0.000 1.073 395 L CA 1.336 56.245 54.840 0.115 0.000 0.745 395 L CB -0.690 41.456 42.059 0.145 0.000 0.894 395 L HN 0.206 nan 8.230 nan 0.000 0.432 396 F N 1.246 121.209 119.950 0.022 0.000 2.095 396 F HA -0.291 4.236 4.527 -0.001 0.000 0.298 396 F C 2.795 178.605 175.800 0.015 0.000 1.104 396 F CA 2.119 60.128 58.000 0.015 0.000 1.232 396 F CB -0.443 38.561 39.000 0.005 0.000 0.987 396 F HN 0.177 nan 8.300 nan 0.000 0.475 397 T N -1.881 112.736 114.554 0.106 0.000 2.915 397 T HA -0.148 4.202 4.350 -0.001 0.000 0.269 397 T C 1.817 176.482 174.700 -0.059 0.000 1.071 397 T CA 1.019 63.119 62.100 0.000 0.000 1.132 397 T CB -0.562 68.354 68.868 0.079 0.000 0.878 397 T HN 0.317 nan 8.240 nan 0.000 0.479 398 R N 1.141 121.623 120.500 -0.030 0.000 2.363 398 R HA 0.239 4.578 4.340 -0.001 0.000 0.236 398 R C 0.290 176.559 176.300 -0.051 0.000 0.966 398 R CA -0.057 56.025 56.100 -0.029 0.000 1.100 398 R CB -0.240 30.061 30.300 0.003 0.000 1.125 398 R HN 0.520 nan 8.270 nan 0.000 0.514 399 Q N -0.877 118.846 119.800 -0.128 0.000 2.494 399 Q HA -0.149 4.190 4.340 -0.001 0.000 0.272 399 Q C -0.897 175.065 176.000 -0.065 0.000 1.145 399 Q CA 0.440 56.154 55.803 -0.147 0.000 0.943 399 Q CB -1.662 27.014 28.738 -0.104 0.000 1.338 399 Q HN 0.115 nan 8.270 nan 0.000 0.492 400 V N 1.753 121.658 119.914 -0.016 0.000 2.406 400 V HA 0.371 4.491 4.120 -0.001 0.000 0.272 400 V C 0.653 176.770 176.094 0.038 0.000 1.043 400 V CA 0.315 62.647 62.300 0.054 0.000 0.915 400 V CB 1.522 33.445 31.823 0.166 0.000 0.988 400 V HN 0.370 nan 8.190 nan 0.000 0.466 401 S N 2.964 118.673 115.700 0.016 0.000 2.621 401 S HA 0.810 5.280 4.470 -0.001 0.000 0.302 401 S C 0.913 175.517 174.600 0.008 0.000 1.093 401 S CA 0.063 58.294 58.200 0.052 0.000 1.017 401 S CB 1.765 64.991 63.200 0.044 0.000 1.077 401 S HN 1.915 nan 8.310 nan 0.000 0.517 402 G N 0.009 108.826 108.800 0.029 0.000 2.205 402 G HA2 -0.060 3.899 3.960 -0.001 0.000 0.261 402 G HA3 -0.060 3.899 3.960 -0.001 0.000 0.261 402 G C 0.352 175.217 174.900 -0.058 0.000 0.980 402 G CA -0.002 45.089 45.100 -0.015 0.000 0.632 402 G HN 1.625 nan 8.290 nan 0.000 0.533 403 A N 0.144 122.926 122.820 -0.063 0.000 2.388 403 A HA 0.742 5.061 4.320 -0.001 0.000 0.257 403 A C 0.618 178.174 177.584 -0.046 0.000 1.095 403 A CA 0.134 52.133 52.037 -0.064 0.000 0.791 403 A CB 0.325 19.336 19.000 0.019 0.000 1.029 403 A HN 0.491 nan 8.150 nan 0.000 0.489 404 R N 1.598 122.054 120.500 -0.073 0.000 2.388 404 R HA 0.487 4.826 4.340 -0.001 0.000 0.314 404 R C -0.499 175.724 176.300 -0.129 0.000 0.959 404 R CA -0.260 55.752 56.100 -0.147 0.000 0.851 404 R CB 1.896 32.020 30.300 -0.292 0.000 1.168 404 R HN 0.779 nan 8.270 nan 0.000 0.472 405 A N 3.537 126.279 122.820 -0.129 0.000 2.343 405 A HA 0.324 4.643 4.320 -0.001 0.000 0.305 405 A C -0.042 177.388 177.584 -0.257 0.000 1.308 405 A CA -0.432 51.515 52.037 -0.150 0.000 0.949 405 A CB 0.490 19.438 19.000 -0.088 0.000 1.148 405 A HN 0.463 nan 8.150 nan 0.000 0.545 406 V N 6.999 126.652 119.914 -0.436 0.000 2.318 406 V HA 0.323 4.443 4.120 -0.001 0.000 0.271 406 V C -1.903 173.921 176.094 -0.450 0.000 1.030 406 V CA -1.237 60.718 62.300 -0.574 0.000 0.844 406 V CB 1.081 32.265 31.823 -1.064 0.000 1.015 406 V HN 0.835 nan 8.190 nan 0.000 0.460 407 P HA 0.397 nan 4.420 nan 0.000 0.279 407 P C -0.590 176.647 177.300 -0.106 0.000 1.276 407 P CA -0.603 62.410 63.100 -0.146 0.000 0.801 407 P CB 1.414 33.062 31.700 -0.085 0.000 1.127 408 L N -0.471 120.732 121.223 -0.033 0.000 2.399 408 L HA 0.462 4.801 4.340 -0.001 0.000 0.266 408 L C 1.628 178.511 176.870 0.021 0.000 1.114 408 L CA 0.342 55.190 54.840 0.014 0.000 0.804 408 L CB 0.066 42.152 42.059 0.045 0.000 1.146 408 L HN 0.820 nan 8.230 nan 0.000 0.451 409 G N 0.964 109.789 108.800 0.041 0.000 2.157 409 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.248 409 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.248 409 G C 0.179 175.111 174.900 0.053 0.000 0.979 409 G CA -0.442 44.687 45.100 0.049 0.000 0.650 409 G HN 0.608 nan 8.290 nan 0.000 0.529 410 N N 0.173 118.908 118.700 0.059 0.000 2.454 410 N HA 0.356 5.095 4.740 -0.001 0.000 0.260 410 N C 0.143 175.725 175.510 0.120 0.000 1.218 410 N CA 0.370 53.472 53.050 0.088 0.000 0.904 410 N CB 1.471 40.032 38.487 0.124 0.000 1.065 410 N HN 0.198 nan 8.380 nan 0.000 0.462 411 V N 2.677 122.640 119.914 0.081 0.000 2.384 411 V HA 0.364 4.483 4.120 -0.001 0.000 0.287 411 V C 0.017 176.121 176.094 0.017 0.000 1.020 411 V CA -0.616 61.722 62.300 0.063 0.000 0.850 411 V CB 1.287 33.127 31.823 0.028 0.000 0.987 411 V HN 0.587 nan 8.190 nan 0.000 0.436 412 Q N 2.622 122.411 119.800 -0.019 0.000 2.289 412 Q HA 0.499 4.838 4.340 -0.001 0.000 0.270 412 Q C -1.070 174.853 176.000 -0.128 0.000 1.038 412 Q CA -0.437 55.265 55.803 -0.168 0.000 0.812 412 Q CB 2.348 30.801 28.738 -0.476 0.000 1.300 412 Q HN 0.712 nan 8.270 nan 0.000 0.427 413 T N 2.747 117.242 114.554 -0.098 0.000 2.744 413 T HA 0.485 4.834 4.350 -0.001 0.000 0.291 413 T C -0.872 173.820 174.700 -0.013 0.000 0.957 413 T CA -0.320 61.753 62.100 -0.044 0.000 1.002 413 T CB 0.804 69.648 68.868 -0.040 0.000 0.919 413 T HN 0.350 nan 8.240 nan 0.000 0.468 414 V N 3.246 123.221 119.914 0.101 0.000 2.483 414 V HA 0.293 4.412 4.120 -0.001 0.000 0.297 414 V C 0.384 176.687 176.094 0.348 0.000 1.027 414 V CA -0.966 61.432 62.300 0.164 0.000 0.855 414 V CB 1.632 33.532 31.823 0.128 0.000 0.995 414 V HN 1.080 nan 8.190 nan 0.000 0.424 415 S N 3.942 119.805 115.700 0.271 0.000 3.410 415 S HA -0.210 4.259 4.470 -0.001 0.000 0.369 415 S C 1.465 176.231 174.600 0.277 0.000 0.961 415 S CA 1.417 59.772 58.200 0.258 0.000 1.248 415 S CB -1.249 62.108 63.200 0.262 0.000 0.914 415 S HN 2.186 nan 8.310 nan 0.000 0.497 416 G N 0.062 108.976 108.800 0.191 0.000 2.199 416 G HA2 -0.323 3.636 3.960 -0.001 0.000 0.254 416 G HA3 -0.323 3.636 3.960 -0.001 0.000 0.254 416 G C -0.133 174.866 174.900 0.164 0.000 0.982 416 G CA 0.434 45.622 45.100 0.147 0.000 0.632 416 G HN 0.890 nan 8.290 nan 0.000 0.529 417 H N 1.167 120.295 119.070 0.097 0.000 2.476 417 H HA 0.546 5.102 4.556 -0.001 0.000 0.328 417 H C -0.578 174.605 175.328 -0.242 0.000 1.073 417 H CA 0.229 56.209 56.048 -0.115 0.000 1.229 417 H CB 1.094 30.712 29.762 -0.241 0.000 1.432 417 H HN 0.059 nan 8.280 nan 0.000 0.477 418 T N 7.060 121.205 114.554 -0.681 0.000 2.723 418 T HA 0.148 4.497 4.350 -0.001 0.000 0.297 418 T C -0.134 174.195 174.700 -0.619 0.000 0.925 418 T CA -0.183 61.638 62.100 -0.466 0.000 1.030 418 T CB -0.531 68.173 68.868 -0.272 0.000 0.905 418 T HN 0.279 nan 8.240 nan 0.000 0.502 419 F N 3.464 123.294 119.950 -0.199 0.000 2.404 419 F HA 0.372 4.899 4.527 -0.000 0.000 0.358 419 F C 1.307 177.136 175.800 0.048 0.000 1.120 419 F CA -0.924 57.089 58.000 0.021 0.000 1.144 419 F CB 0.758 39.904 39.000 0.243 0.000 1.133 419 F HN 0.221 nan 8.300 nan 0.000 0.495 420 R N 1.390 122.004 120.500 0.190 0.000 2.410 420 R HA 0.448 4.787 4.340 -0.001 0.000 0.288 420 R C 0.895 177.315 176.300 0.200 0.000 1.051 420 R CA 0.021 56.213 56.100 0.153 0.000 1.021 420 R CB 0.989 31.340 30.300 0.084 0.000 1.032 420 R HN 0.940 nan 8.270 nan 0.000 0.481 421 G N 2.331 111.225 108.800 0.157 0.000 2.198 421 G HA2 -0.308 3.651 3.960 -0.001 0.000 0.260 421 G HA3 -0.308 3.651 3.960 -0.001 0.000 0.260 421 G C -0.074 174.890 174.900 0.107 0.000 1.025 421 G CA -0.046 45.128 45.100 0.123 0.000 0.769 421 G HN 0.575 nan 8.290 nan 0.000 0.507 422 F N 0.001 119.960 119.950 0.015 0.000 2.607 422 F HA 0.391 4.918 4.527 -0.001 0.000 0.374 422 F C 1.689 177.395 175.800 -0.157 0.000 1.104 422 F CA 1.554 59.521 58.000 -0.055 0.000 1.296 422 F CB 0.253 39.232 39.000 -0.034 0.000 1.085 422 F HN 0.377 nan 8.300 nan 0.000 0.584 423 M N 1.776 120.691 119.600 -1.141 0.000 3.011 423 M HA -0.253 4.226 4.480 -0.001 0.000 0.211 423 M C 1.141 176.928 176.300 -0.854 0.000 0.583 423 M CA 1.341 56.078 55.300 -0.939 0.000 0.808 423 M CB -1.604 30.637 32.600 -0.597 0.000 2.882 423 M HN 0.639 nan 8.290 nan 0.000 0.294 424 S N -0.715 114.602 115.700 -0.639 0.000 2.539 424 S HA 0.168 4.637 4.470 -0.001 0.000 0.221 424 S C 0.685 175.061 174.600 -0.373 0.000 0.987 424 S CA 0.414 58.369 58.200 -0.408 0.000 0.929 424 S CB -0.223 62.944 63.200 -0.056 0.000 0.832 424 S HN 0.610 nan 8.310 nan 0.000 0.492 425 H N 0.161 119.222 119.070 -0.014 0.000 3.047 425 H HA -0.145 4.410 4.556 -0.001 0.000 0.263 425 H C 0.322 175.698 175.328 0.080 0.000 1.168 425 H CA 0.944 57.005 56.048 0.021 0.000 1.152 425 H CB -2.230 27.521 29.762 -0.018 0.000 1.278 425 H HN 0.875 nan 8.280 nan 0.000 0.339 426 A N -0.273 122.642 122.820 0.158 0.000 2.604 426 A HA 0.453 4.773 4.320 -0.001 0.000 0.295 426 A C 0.238 177.923 177.584 0.169 0.000 1.067 426 A CA -0.206 51.940 52.037 0.182 0.000 0.683 426 A CB 1.269 20.406 19.000 0.228 0.000 1.281 426 A HN -0.073 nan 8.150 nan 0.000 0.407 427 D N 0.286 120.777 120.400 0.150 0.000 2.178 427 D HA -0.012 4.627 4.640 -0.001 0.000 0.202 427 D C 0.251 176.620 176.300 0.115 0.000 0.974 427 D CA 1.860 55.936 54.000 0.126 0.000 0.841 427 D CB 0.051 40.909 40.800 0.097 0.000 0.953 427 D HN 0.593 nan 8.370 nan 0.000 0.478 428 N N -0.813 117.960 118.700 0.122 0.000 2.646 428 N HA 0.060 4.800 4.740 -0.001 0.000 0.296 428 N C -1.080 174.495 175.510 0.109 0.000 1.886 428 N CA -0.395 52.713 53.050 0.097 0.000 0.855 428 N CB 0.641 39.161 38.487 0.054 0.000 1.336 428 N HN -0.009 nan 8.380 nan 0.000 0.496 429 Y N 1.551 121.893 120.300 0.071 0.000 2.610 429 Y HA 0.115 4.664 4.550 -0.002 0.000 0.332 429 Y C -1.285 174.663 175.900 0.080 0.000 1.201 429 Y CA -1.140 57.013 58.100 0.088 0.000 1.465 429 Y CB 0.834 39.380 38.460 0.143 0.000 1.283 429 Y HN 0.273 nan 8.280 nan 0.000 0.563 430 P HA -0.075 nan 4.420 nan 0.000 0.219 430 P C -0.626 176.642 177.300 -0.053 0.000 1.146 430 P CA 1.438 64.386 63.100 -0.253 0.000 0.808 430 P CB 0.014 31.495 31.700 -0.365 0.000 0.779 431 C N -4.670 114.697 119.300 0.110 0.000 3.288 431 C HA 0.848 5.308 4.460 -0.001 0.000 0.318 431 C C -0.303 174.894 174.990 0.345 0.000 1.356 431 C CA -1.508 57.632 59.018 0.203 0.000 1.359 431 C CB 1.046 28.883 27.740 0.162 0.000 1.688 431 C HN 0.217 nan 8.230 nan 0.000 0.467 432 A N 0.985 123.912 122.820 0.178 0.000 2.351 432 A HA 0.816 5.135 4.320 -0.001 0.000 0.257 432 A C -0.675 177.002 177.584 0.155 0.000 1.087 432 A CA -0.010 52.061 52.037 0.057 0.000 0.798 432 A CB 0.117 19.108 19.000 -0.015 0.000 1.033 432 A HN 2.042 nan 8.150 nan 0.000 0.488 433 Y N -1.339 118.981 120.300 0.034 0.000 2.670 433 Y HA 0.673 5.222 4.550 -0.001 0.000 0.334 433 Y C -1.470 174.430 175.900 0.000 0.000 1.185 433 Y CA -1.616 56.501 58.100 0.028 0.000 1.053 433 Y CB 1.023 39.507 38.460 0.040 0.000 1.298 433 Y HN 0.615 nan 8.280 nan 0.000 0.459 434 L N 2.549 123.906 121.223 0.222 0.000 2.333 434 L HA 0.558 4.898 4.340 -0.001 0.000 0.280 434 L C -1.229 175.781 176.870 0.234 0.000 1.004 434 L CA -0.372 54.559 54.840 0.151 0.000 0.820 434 L CB 1.407 43.541 42.059 0.124 0.000 1.247 434 L HN 0.821 nan 8.230 nan 0.000 0.416 435 N N 3.200 122.008 118.700 0.180 0.000 2.524 435 N HA 0.790 5.529 4.740 -0.001 0.000 0.283 435 N C -0.959 174.591 175.510 0.067 0.000 1.142 435 N CA -0.132 53.009 53.050 0.151 0.000 0.984 435 N CB 1.274 39.830 38.487 0.114 0.000 1.155 435 N HN 0.783 nan 8.380 nan 0.000 0.467 436 A N 0.627 123.475 122.820 0.047 0.000 2.606 436 A HA 0.848 5.168 4.320 -0.001 0.000 0.293 436 A C -1.634 175.956 177.584 0.010 0.000 1.082 436 A CA -0.590 51.389 52.037 -0.096 0.000 0.685 436 A CB 1.476 20.350 19.000 -0.210 0.000 1.284 436 A HN 0.669 nan 8.150 nan 0.000 0.408 437 A N -0.142 122.673 122.820 -0.008 0.000 2.539 437 A HA 0.873 5.192 4.320 -0.001 0.000 0.296 437 A C -0.350 177.289 177.584 0.092 0.000 1.073 437 A CA 0.022 52.124 52.037 0.109 0.000 0.700 437 A CB 1.486 20.576 19.000 0.149 0.000 1.296 437 A HN 2.437 nan 8.150 nan 0.000 0.405 438 A N 1.097 124.043 122.820 0.209 0.000 2.540 438 A HA 0.694 5.013 4.320 -0.001 0.000 0.340 438 A C 0.347 178.024 177.584 0.155 0.000 1.424 438 A CA 0.308 52.457 52.037 0.186 0.000 0.940 438 A CB -0.503 18.661 19.000 0.273 0.000 1.149 438 A HN 2.062 nan 8.150 nan 0.000 0.505 439 A N 2.068 124.941 122.820 0.088 0.000 2.269 439 A HA 0.708 5.027 4.320 -0.001 0.000 0.319 439 A C 0.344 177.942 177.584 0.022 0.000 1.110 439 A CA -0.711 51.361 52.037 0.059 0.000 0.847 439 A CB 0.326 19.347 19.000 0.034 0.000 1.161 439 A HN 1.018 nan 8.150 nan 0.000 0.497 440 I N 0.622 121.188 120.570 -0.008 0.000 2.845 440 I HA 0.253 4.422 4.170 -0.001 0.000 0.296 440 I C 1.347 177.454 176.117 -0.017 0.000 1.216 440 I CA 2.089 63.364 61.300 -0.041 0.000 1.438 440 I CB 0.342 38.289 38.000 -0.089 0.000 1.342 440 I HN 1.269 nan 8.210 nan 0.000 0.577 441 G N 5.546 114.335 108.800 -0.018 0.000 2.176 441 G HA2 -0.316 3.643 3.960 -0.001 0.000 0.253 441 G HA3 -0.316 3.643 3.960 -0.001 0.000 0.253 441 G C 0.417 175.322 174.900 0.009 0.000 0.979 441 G CA 0.193 45.293 45.100 -0.000 0.000 0.641 441 G HN 0.622 nan 8.290 nan 0.000 0.530 442 M N 0.500 120.108 119.600 0.014 0.000 2.249 442 M HA 0.473 4.952 4.480 -0.001 0.000 0.340 442 M C 0.437 176.753 176.300 0.027 0.000 1.166 442 M CA 0.618 55.934 55.300 0.026 0.000 1.115 442 M CB 0.341 32.966 32.600 0.042 0.000 1.606 442 M HN 0.174 nan 8.290 nan 0.000 0.448 443 K N 2.990 123.409 120.400 0.031 0.000 2.221 443 K HA 0.369 4.689 4.320 -0.001 0.000 0.243 443 K C 0.866 177.492 176.600 0.043 0.000 0.968 443 K CA -0.807 55.494 56.287 0.023 0.000 0.846 443 K CB 1.267 33.777 32.500 0.017 0.000 1.141 443 K HN 0.623 nan 8.250 nan 0.000 0.434 444 M N 0.649 120.251 119.600 0.004 0.000 2.108 444 M HA -0.287 4.192 4.480 -0.001 0.000 0.257 444 M C 2.015 178.375 176.300 0.099 0.000 1.071 444 M CA 1.846 57.148 55.300 0.003 0.000 1.093 444 M CB -0.790 31.739 32.600 -0.117 0.000 1.345 444 M HN 0.752 nan 8.290 nan 0.000 0.403 445 Q N 0.209 120.046 119.800 0.062 0.000 2.135 445 Q HA -0.206 4.134 4.340 -0.001 0.000 0.204 445 Q C 1.463 177.520 176.000 0.095 0.000 0.981 445 Q CA 1.629 57.475 55.803 0.072 0.000 0.856 445 Q CB 0.031 28.795 28.738 0.043 0.000 0.902 445 Q HN 0.474 nan 8.270 nan 0.000 0.425 446 D N -0.334 120.120 120.400 0.089 0.000 2.104 446 D HA -0.161 4.478 4.640 -0.001 0.000 0.194 446 D C 1.985 178.380 176.300 0.158 0.000 0.994 446 D CA 1.556 55.612 54.000 0.093 0.000 0.830 446 D CB -0.097 40.736 40.800 0.056 0.000 0.959 446 D HN 0.182 nan 8.370 nan 0.000 0.452 447 V N 1.718 121.750 119.914 0.196 0.000 2.307 447 V HA -0.197 3.922 4.120 -0.001 0.000 0.245 447 V C 1.987 178.225 176.094 0.239 0.000 1.045 447 V CA 1.684 64.139 62.300 0.259 0.000 1.024 447 V CB -0.394 31.606 31.823 0.295 0.000 0.651 447 V HN 0.029 nan 8.190 nan 0.000 0.449 448 D N 0.122 120.651 120.400 0.216 0.000 2.097 448 D HA -0.089 4.550 4.640 -0.001 0.000 0.197 448 D C 2.187 178.547 176.300 0.100 0.000 0.984 448 D CA 1.150 55.241 54.000 0.151 0.000 0.826 448 D CB -0.229 40.663 40.800 0.153 0.000 0.973 448 D HN 0.316 nan 8.370 nan 0.000 0.460 449 L N -0.033 121.258 121.223 0.113 0.000 2.046 449 L HA -0.150 4.189 4.340 -0.001 0.000 0.208 449 L C 2.383 179.323 176.870 0.117 0.000 1.077 449 L CA 0.682 55.577 54.840 0.092 0.000 0.747 449 L CB -0.410 41.700 42.059 0.086 0.000 0.896 449 L HN -0.019 nan 8.230 nan 0.000 0.432 450 F N 1.026 120.984 119.950 0.012 0.000 2.069 450 F HA -0.289 4.237 4.527 -0.001 0.000 0.298 450 F C 2.382 178.176 175.800 -0.009 0.000 1.113 450 F CA 1.563 59.564 58.000 0.002 0.000 1.214 450 F CB -0.292 38.710 39.000 0.004 0.000 0.978 450 F HN -0.119 nan 8.300 nan 0.000 0.474 451 I N 1.027 121.440 120.570 -0.262 0.000 2.163 451 I HA -0.320 3.849 4.170 -0.001 0.000 0.243 451 I C 2.516 178.497 176.117 -0.226 0.000 1.085 451 I CA 1.816 62.905 61.300 -0.352 0.000 1.347 451 I CB -1.499 36.400 38.000 -0.168 0.000 1.044 451 I HN 0.285 nan 8.210 nan 0.000 0.408 452 K N 1.254 121.592 120.400 -0.104 0.000 2.032 452 K HA -0.205 4.114 4.320 -0.001 0.000 0.209 452 K C 2.308 178.864 176.600 -0.073 0.000 1.048 452 K CA 1.630 57.881 56.287 -0.060 0.000 0.927 452 K CB -0.039 32.452 32.500 -0.016 0.000 0.712 452 K HN 0.207 nan 8.250 nan 0.000 0.441 453 R N 0.297 120.752 120.500 -0.074 0.000 2.092 453 R HA -0.094 4.245 4.340 -0.001 0.000 0.231 453 R C 2.414 178.649 176.300 -0.108 0.000 1.119 453 R CA 1.061 57.127 56.100 -0.057 0.000 0.970 453 R CB -0.343 29.957 30.300 -0.000 0.000 0.864 453 R HN 0.185 nan 8.270 nan 0.000 0.440 454 L N 1.329 122.412 121.223 -0.234 0.000 2.046 454 L HA -0.181 4.159 4.340 -0.001 0.000 0.208 454 L C 1.670 178.390 176.870 -0.251 0.000 1.077 454 L CA 2.063 56.723 54.840 -0.300 0.000 0.747 454 L CB -0.621 41.073 42.059 -0.608 0.000 0.896 454 L HN 0.085 nan 8.230 nan 0.000 0.432 455 D N -0.614 119.668 120.400 -0.197 0.000 2.116 455 D HA -0.260 4.379 4.640 -0.001 0.000 0.193 455 D C 2.138 178.427 176.300 -0.018 0.000 0.998 455 D CA 1.835 55.803 54.000 -0.052 0.000 0.836 455 D CB 0.008 40.828 40.800 0.032 0.000 0.951 455 D HN 0.347 nan 8.370 nan 0.000 0.449 456 K N -0.621 119.757 120.400 -0.035 0.000 2.026 456 K HA -0.100 4.219 4.320 -0.001 0.000 0.208 456 K C 2.460 179.044 176.600 -0.027 0.000 1.048 456 K CA 1.309 57.586 56.287 -0.016 0.000 0.929 456 K CB -0.284 32.206 32.500 -0.018 0.000 0.713 456 K HN 0.283 nan 8.250 nan 0.000 0.439 457 C N 0.976 120.243 119.300 -0.054 0.000 2.432 457 C HA -0.080 4.380 4.460 -0.001 0.000 0.277 457 C C 2.542 177.491 174.990 -0.068 0.000 1.249 457 C CA 0.520 59.507 59.018 -0.052 0.000 1.725 457 C CB -0.858 26.852 27.740 -0.050 0.000 2.028 457 C HN 0.420 nan 8.230 nan 0.000 0.477 458 L N 1.179 122.325 121.223 -0.129 0.000 2.012 458 L HA -0.184 4.155 4.340 -0.001 0.000 0.210 458 L C 2.406 179.261 176.870 -0.024 0.000 1.073 458 L CA 1.491 56.238 54.840 -0.154 0.000 0.748 458 L CB -0.795 40.985 42.059 -0.466 0.000 0.891 458 L HN 0.406 nan 8.230 nan 0.000 0.431 459 N N 0.275 119.004 118.700 0.048 0.000 2.104 459 N HA -0.171 4.568 4.740 -0.001 0.000 0.190 459 N C 1.856 177.376 175.510 0.017 0.000 1.024 459 N CA 1.428 54.520 53.050 0.070 0.000 0.853 459 N CB -0.280 38.252 38.487 0.074 0.000 1.008 459 N HN 0.341 nan 8.380 nan 0.000 0.424 460 I N 0.263 120.832 120.570 -0.002 0.000 2.142 460 I HA -0.216 3.953 4.170 -0.001 0.000 0.240 460 I C 2.099 178.201 176.117 -0.024 0.000 1.078 460 I CA 0.774 62.067 61.300 -0.012 0.000 1.343 460 I CB -0.332 37.660 38.000 -0.013 0.000 1.046 460 I HN -0.093 nan 8.210 nan 0.000 0.405 461 V N 0.825 120.718 119.914 -0.034 0.000 2.287 461 V HA -0.267 3.852 4.120 -0.001 0.000 0.248 461 V C 2.647 178.700 176.094 -0.069 0.000 1.053 461 V CA 1.725 63.993 62.300 -0.053 0.000 1.027 461 V CB -0.792 30.994 31.823 -0.062 0.000 0.646 461 V HN 0.364 nan 8.190 nan 0.000 0.447 462 R N 0.155 120.626 120.500 -0.049 0.000 2.096 462 R HA -0.132 4.208 4.340 -0.001 0.000 0.235 462 R C 2.264 178.538 176.300 -0.043 0.000 1.127 462 R CA 1.454 57.525 56.100 -0.049 0.000 0.968 462 R CB -0.659 29.641 30.300 -0.000 0.000 0.861 462 R HN 0.535 nan 8.270 nan 0.000 0.440 463 K N 1.226 121.611 120.400 -0.025 0.000 2.057 463 K HA -0.157 4.163 4.320 -0.001 0.000 0.207 463 K C 1.801 178.383 176.600 -0.029 0.000 1.049 463 K CA 1.568 57.843 56.287 -0.021 0.000 0.931 463 K CB 0.076 32.569 32.500 -0.012 0.000 0.714 463 K HN 0.202 nan 8.250 nan 0.000 0.440 464 E N 0.362 120.540 120.200 -0.037 0.000 2.058 464 E HA -0.235 4.115 4.350 -0.001 0.000 0.194 464 E C 2.166 178.733 176.600 -0.054 0.000 0.997 464 E CA 1.480 57.857 56.400 -0.039 0.000 0.801 464 E CB -0.008 29.668 29.700 -0.040 0.000 0.746 464 E HN 0.417 nan 8.360 nan 0.000 0.450 465 Q N -0.334 119.407 119.800 -0.099 0.000 2.291 465 Q HA -0.071 4.268 4.340 -0.001 0.000 0.205 465 Q C 1.798 177.754 176.000 -0.074 0.000 0.970 465 Q CA 1.142 56.855 55.803 -0.150 0.000 0.876 465 Q CB 0.199 28.716 28.738 -0.367 0.000 0.935 465 Q HN 0.169 nan 8.270 nan 0.000 0.455 466 T N -0.058 114.468 114.554 -0.046 0.000 3.010 466 T HA 0.075 4.424 4.350 -0.001 0.000 0.252 466 T C 0.794 175.492 174.700 -0.003 0.000 1.047 466 T CA 0.258 62.351 62.100 -0.013 0.000 1.140 466 T CB 0.349 69.210 68.868 -0.010 0.000 0.885 466 T HN 0.043 nan 8.240 nan 0.000 0.464 467 R N 0.000 120.495 120.500 -0.008 0.000 2.786 467 R HA 0.000 4.339 4.340 -0.001 0.000 0.208 467 R CA 0.000 56.098 56.100 -0.003 0.000 0.921 467 R CB 0.000 30.297 30.300 -0.005 0.000 0.687 467 R HN 0.000 nan 8.270 nan 0.000 0.535