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 3n51_1_A DATA FIRST_RESID 45 DATA SEQUENCE AIFSDRYKGQ RVLGKGSFGE VILCKDKITG QECAVKVISK RQVKQKTDKE DATA SEQUENCE SLLREVQLLK QLDHPNIMKL YEFFEDKGYF YLVGEVYTGG ELFDEIISRK DATA SEQUENCE RFSEVDAARI IRQVLSGITY MHKNKIVHRD LKPENLLLES KSKDANIRII DATA SEQUENCE DFGLSTHFEA SKKMKDKIGT AYYIAPEVLH GTYDEKCDVW STGVILYILL DATA SEQUENCE SGCPPFNGAN EYDILKKVEK GKYTFELPQW KKVSESAKDL IRKMLTYVPS DATA SEQUENCE MRISARDALD HEWIQTYTKE QISVDVPSLD NAILNIRQFQ GTQKLAQAAL DATA SEQUENCE LYMGSKLTSQ DETKELTAIF HKMDKNGDGQ LDRAELIEGY KELMXXXXXX DATA SEQUENCE XXXXXXXXXE HEVDQVLDAV DFDKNGYIEY SEFVTVAMDR KTLLSRERLE DATA SEQUENCE RAFRMFDSDN SGKISSTELA TIFGVSDVDS ETWKSVLSEV DKNNDGEVDF DATA SEQUENCE DEFQQMLLKL CGN 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 45 A HA 0.000 nan 4.320 nan 0.000 0.244 45 A C 0.000 177.778 177.584 0.323 0.000 1.274 45 A CA 0.000 52.157 52.037 0.201 0.000 0.836 45 A CB 0.000 19.113 19.000 0.187 0.000 0.831 46 I N 0.368 121.084 120.570 0.244 0.000 2.530 46 I HA 0.686 4.856 4.170 0.001 0.000 0.297 46 I C 0.727 176.767 176.117 -0.127 0.000 1.011 46 I CA -0.819 60.569 61.300 0.146 0.000 1.107 46 I CB 1.655 39.686 38.000 0.051 0.000 1.285 46 I HN 0.719 nan 8.210 nan 0.000 0.436 47 F N 4.808 124.371 119.950 -0.645 0.000 2.091 47 F HA -0.256 4.271 4.527 0.001 0.000 0.299 47 F C 2.552 177.995 175.800 -0.595 0.000 1.103 47 F CA 2.632 59.914 58.000 -1.197 0.000 1.228 47 F CB -0.106 38.039 39.000 -1.426 0.000 0.984 47 F HN 0.726 nan 8.300 nan 0.000 0.477 48 S N -0.750 114.703 115.700 -0.413 0.000 2.447 48 S HA -0.163 4.307 4.470 0.001 0.000 0.233 48 S C 1.645 176.057 174.600 -0.315 0.000 1.006 48 S CA 1.179 59.172 58.200 -0.345 0.000 0.957 48 S CB -0.694 62.435 63.200 -0.118 0.000 0.773 48 S HN 0.442 nan 8.310 nan 0.000 0.507 49 D N 1.654 121.896 120.400 -0.263 0.000 2.178 49 D HA -0.036 4.604 4.640 0.001 0.000 0.201 49 D C 2.055 178.184 176.300 -0.286 0.000 0.980 49 D CA 1.025 54.902 54.000 -0.204 0.000 0.842 49 D CB -0.186 40.544 40.800 -0.117 0.000 0.948 49 D HN 0.547 nan 8.370 nan 0.000 0.472 50 R N -1.530 118.706 120.500 -0.439 0.000 2.195 50 R HA 0.055 4.395 4.340 0.001 0.000 0.197 50 R C -0.192 175.595 176.300 -0.854 0.000 0.990 50 R CA 0.283 56.017 56.100 -0.611 0.000 1.048 50 R CB 0.419 30.326 30.300 -0.655 0.000 0.997 50 R HN 0.035 nan 8.270 nan 0.000 0.502 51 Y N 0.913 120.808 120.300 -0.676 0.000 2.462 51 Y HA 0.312 4.862 4.550 0.001 0.000 0.346 51 Y C -0.865 174.717 175.900 -0.530 0.000 0.976 51 Y CA -1.132 56.578 58.100 -0.651 0.000 1.044 51 Y CB 1.720 39.576 38.460 -1.005 0.000 1.230 51 Y HN -0.109 nan 8.280 nan 0.000 0.455 52 K N 0.974 121.299 120.400 -0.126 0.000 2.244 52 K HA 0.770 5.090 4.320 0.001 0.000 0.260 52 K C 0.095 176.705 176.600 0.016 0.000 0.951 52 K CA -1.015 55.230 56.287 -0.069 0.000 0.826 52 K CB 1.753 34.216 32.500 -0.061 0.000 1.108 52 K HN 0.758 nan 8.250 nan 0.000 0.433 53 G N 2.009 110.843 108.800 0.056 0.000 2.380 53 G HA2 0.003 3.964 3.960 0.001 0.000 0.242 53 G HA3 0.003 3.964 3.960 0.001 0.000 0.242 53 G C -0.145 174.774 174.900 0.033 0.000 1.298 53 G CA -0.263 44.881 45.100 0.073 0.000 0.878 53 G HN 0.837 nan 8.290 nan 0.000 0.542 54 Q N 0.507 120.326 119.800 0.030 0.000 2.619 54 Q HA 0.158 4.498 4.340 0.001 0.000 0.230 54 Q C 0.973 176.976 176.000 0.006 0.000 0.871 54 Q CA 0.372 56.182 55.803 0.011 0.000 0.934 54 Q CB 0.672 29.418 28.738 0.013 0.000 1.183 54 Q HN 0.798 nan 8.270 nan 0.000 0.631 55 R N -0.901 119.607 120.500 0.013 0.000 2.692 55 R HA 0.503 4.843 4.340 0.001 0.000 0.269 55 R C -1.192 175.117 176.300 0.015 0.000 1.030 55 R CA -0.693 55.413 56.100 0.010 0.000 0.882 55 R CB 1.039 31.343 30.300 0.006 0.000 1.250 55 R HN -0.174 nan 8.270 nan 0.000 0.465 56 V N 2.935 122.857 119.914 0.013 0.000 2.686 56 V HA 0.125 4.245 4.120 0.001 0.000 0.295 56 V C 1.070 177.174 176.094 0.016 0.000 1.055 56 V CA -0.215 62.092 62.300 0.013 0.000 1.050 56 V CB 1.125 32.956 31.823 0.012 0.000 0.984 56 V HN 0.689 nan 8.190 nan 0.000 0.482 57 L N 3.002 124.234 121.223 0.015 0.000 2.638 57 L HA 0.552 4.893 4.340 0.001 0.000 0.232 57 L C 0.951 177.834 176.870 0.021 0.000 1.099 57 L CA 0.756 55.607 54.840 0.020 0.000 0.883 57 L CB 0.335 42.406 42.059 0.019 0.000 1.136 57 L HN 0.973 nan 8.230 nan 0.000 0.492 58 G N 0.308 109.117 108.800 0.016 0.000 2.361 58 G HA2 -0.052 3.908 3.960 0.001 0.000 0.331 58 G HA3 -0.052 3.908 3.960 0.001 0.000 0.331 58 G C -1.595 173.310 174.900 0.008 0.000 1.324 58 G CA -0.878 44.232 45.100 0.015 0.000 0.984 58 G HN -0.124 nan 8.290 nan 0.000 0.586 59 K N -0.049 120.354 120.400 0.006 0.000 2.183 59 K HA 0.641 4.962 4.320 0.001 0.000 0.274 59 K C 0.726 177.321 176.600 -0.008 0.000 1.009 59 K CA 0.206 56.491 56.287 -0.003 0.000 0.888 59 K CB 1.123 33.620 32.500 -0.005 0.000 1.078 59 K HN 0.943 nan 8.250 nan 0.000 0.459 60 G N 0.913 109.706 108.800 -0.012 0.000 3.075 60 G HA2 0.228 4.188 3.960 0.001 0.000 0.253 60 G HA3 0.228 4.188 3.960 0.001 0.000 0.253 60 G C -0.981 173.882 174.900 -0.062 0.000 1.353 60 G CA -0.644 44.444 45.100 -0.019 0.000 1.051 60 G HN 0.559 nan 8.290 nan 0.000 0.553 61 S N -0.360 115.282 115.700 -0.095 0.000 2.533 61 S HA 0.330 4.800 4.470 0.001 0.000 0.282 61 S C -0.023 174.458 174.600 -0.198 0.000 1.304 61 S CA 0.219 58.233 58.200 -0.310 0.000 1.063 61 S CB -0.133 62.830 63.200 -0.395 0.000 0.881 61 S HN 0.650 nan 8.310 nan 0.000 0.493 62 F N -0.056 119.871 119.950 -0.037 0.000 2.656 62 F HA -0.194 4.334 4.527 0.001 0.000 0.381 62 F C 0.910 176.652 175.800 -0.097 0.000 0.603 62 F CA 0.984 58.933 58.000 -0.085 0.000 1.335 62 F CB -1.795 37.095 39.000 -0.184 0.000 1.836 62 F HN 0.973 nan 8.300 nan 0.000 0.290 63 G N -0.494 108.332 108.800 0.044 0.000 2.343 63 G HA2 0.371 4.331 3.960 0.001 0.000 0.289 63 G HA3 0.371 4.331 3.960 0.001 0.000 0.289 63 G C -1.547 173.348 174.900 -0.009 0.000 1.295 63 G CA -0.491 44.617 45.100 0.013 0.000 0.869 63 G HN 0.272 nan 8.290 nan 0.000 0.522 64 E N -0.789 119.395 120.200 -0.027 0.000 2.283 64 E HA 0.538 4.889 4.350 0.001 0.000 0.278 64 E C -0.454 176.125 176.600 -0.036 0.000 1.027 64 E CA -0.540 55.842 56.400 -0.030 0.000 0.843 64 E CB 1.429 31.105 29.700 -0.040 0.000 1.062 64 E HN 0.377 nan 8.360 nan 0.000 0.401 65 V N 5.879 125.783 119.914 -0.017 0.000 2.417 65 V HA 0.382 4.502 4.120 0.001 0.000 0.291 65 V C -0.434 175.658 176.094 -0.005 0.000 1.024 65 V CA -0.650 61.644 62.300 -0.011 0.000 0.861 65 V CB 1.116 32.942 31.823 0.005 0.000 0.985 65 V HN 0.561 nan 8.190 nan 0.000 0.436 66 I N 5.002 125.570 120.570 -0.003 0.000 2.465 66 I HA 0.416 4.586 4.170 0.001 0.000 0.291 66 I C -0.416 175.717 176.117 0.027 0.000 1.014 66 I CA -0.547 60.762 61.300 0.014 0.000 1.093 66 I CB 1.858 39.870 38.000 0.021 0.000 1.267 66 I HN 0.480 nan 8.210 nan 0.000 0.431 67 L N 7.489 128.728 121.223 0.028 0.000 2.361 67 L HA 0.454 4.794 4.340 0.001 0.000 0.278 67 L C -0.057 176.843 176.870 0.051 0.000 1.113 67 L CA 0.356 55.215 54.840 0.032 0.000 0.849 67 L CB -0.172 41.902 42.059 0.025 0.000 1.155 67 L HN 0.931 nan 8.230 nan 0.000 0.452 68 C N 2.899 122.239 119.300 0.066 0.000 2.973 68 C HA 0.823 5.283 4.460 0.001 0.000 0.329 68 C C -0.475 174.582 174.990 0.111 0.000 1.327 68 C CA -1.367 57.707 59.018 0.094 0.000 1.632 68 C CB 1.504 29.329 27.740 0.141 0.000 2.098 68 C HN 0.937 nan 8.230 nan 0.000 0.469 69 K N 0.723 121.198 120.400 0.125 0.000 2.443 69 K HA 0.293 4.613 4.320 0.001 0.000 0.252 69 K C -1.002 175.650 176.600 0.087 0.000 0.933 69 K CA -0.149 56.200 56.287 0.104 0.000 0.792 69 K CB 1.358 33.878 32.500 0.033 0.000 1.185 69 K HN 0.941 nan 8.250 nan 0.000 0.425 70 D N 3.549 123.981 120.400 0.053 0.000 2.487 70 D HA -0.029 4.612 4.640 0.001 0.000 0.243 70 D C 0.296 176.486 176.300 -0.182 0.000 1.154 70 D CA 0.628 54.508 54.000 -0.199 0.000 0.876 70 D CB 1.018 41.725 40.800 -0.156 0.000 1.161 70 D HN 0.545 nan 8.370 nan 0.000 0.478 71 K N 3.213 123.460 120.400 -0.256 0.000 2.362 71 K HA -0.044 4.277 4.320 0.001 0.000 0.200 71 K C 1.502 178.021 176.600 -0.136 0.000 1.046 71 K CA 0.642 56.823 56.287 -0.176 0.000 0.952 71 K CB 0.531 32.913 32.500 -0.196 0.000 0.753 71 K HN 0.550 nan 8.250 nan 0.000 0.466 72 I N -0.250 120.232 120.570 -0.147 0.000 2.962 72 I HA -0.148 4.022 4.170 0.001 0.000 0.246 72 I C 2.334 178.401 176.117 -0.084 0.000 1.091 72 I CA 0.955 62.191 61.300 -0.108 0.000 1.469 72 I CB -0.104 37.829 38.000 -0.111 0.000 1.324 72 I HN 0.107 nan 8.210 nan 0.000 0.461 73 T N -1.668 112.834 114.554 -0.088 0.000 3.088 73 T HA 0.171 4.521 4.350 0.001 0.000 0.259 73 T C 1.619 176.292 174.700 -0.046 0.000 1.122 73 T CA 0.655 62.718 62.100 -0.062 0.000 1.095 73 T CB 0.290 69.121 68.868 -0.063 0.000 0.930 73 T HN 0.577 nan 8.240 nan 0.000 0.508 74 G N 0.917 109.689 108.800 -0.048 0.000 2.184 74 G HA2 -0.317 3.643 3.960 0.001 0.000 0.264 74 G HA3 -0.317 3.643 3.960 0.001 0.000 0.264 74 G C 0.021 174.918 174.900 -0.004 0.000 0.975 74 G CA 0.317 45.402 45.100 -0.026 0.000 0.642 74 G HN 0.882 nan 8.290 nan 0.000 0.536 75 Q N 1.432 121.230 119.800 -0.003 0.000 2.255 75 Q HA 0.419 4.759 4.340 0.001 0.000 0.280 75 Q C 0.485 176.524 176.000 0.065 0.000 1.068 75 Q CA 0.464 56.280 55.803 0.021 0.000 0.911 75 Q CB 0.172 28.911 28.738 0.001 0.000 1.157 75 Q HN 0.579 nan 8.270 nan 0.000 0.380 76 E N 2.408 122.645 120.200 0.062 0.000 2.373 76 E HA 0.279 4.629 4.350 0.001 0.000 0.267 76 E C -0.868 175.793 176.600 0.103 0.000 1.032 76 E CA -0.195 56.250 56.400 0.075 0.000 0.889 76 E CB 0.642 30.372 29.700 0.049 0.000 0.984 76 E HN 0.668 nan 8.360 nan 0.000 0.425 77 C N 1.680 121.041 119.300 0.101 0.000 3.241 77 C HA 0.737 5.198 4.460 0.001 0.000 0.312 77 C C -0.354 174.654 174.990 0.030 0.000 1.350 77 C CA -0.867 58.212 59.018 0.103 0.000 1.415 77 C CB 1.381 29.199 27.740 0.130 0.000 1.770 77 C HN 0.810 nan 8.230 nan 0.000 0.466 78 A N 0.870 123.685 122.820 -0.009 0.000 2.312 78 A HA 0.841 5.162 4.320 0.001 0.000 0.326 78 A C -0.977 176.601 177.584 -0.012 0.000 1.172 78 A CA -0.283 51.742 52.037 -0.020 0.000 0.821 78 A CB 0.658 19.627 19.000 -0.051 0.000 1.166 78 A HN 0.812 nan 8.150 nan 0.000 0.493 79 V N 2.339 122.252 119.914 -0.001 0.000 2.531 79 V HA 0.397 4.518 4.120 0.001 0.000 0.301 79 V C -0.036 176.040 176.094 -0.030 0.000 1.034 79 V CA -0.709 61.586 62.300 -0.009 0.000 0.865 79 V CB 1.742 33.561 31.823 -0.006 0.000 0.995 79 V HN 0.934 nan 8.190 nan 0.000 0.424 80 K N 3.678 124.063 120.400 -0.024 0.000 2.234 80 K HA 0.655 4.975 4.320 0.001 0.000 0.277 80 K C -1.212 175.330 176.600 -0.096 0.000 1.038 80 K CA -0.413 55.851 56.287 -0.037 0.000 0.888 80 K CB 1.537 34.036 32.500 -0.000 0.000 1.091 80 K HN 0.502 nan 8.250 nan 0.000 0.467 81 V N 6.855 126.679 119.914 -0.150 0.000 2.350 81 V HA 0.341 4.461 4.120 0.001 0.000 0.276 81 V C -0.082 175.920 176.094 -0.154 0.000 1.028 81 V CA -0.664 61.467 62.300 -0.282 0.000 0.860 81 V CB 1.013 32.601 31.823 -0.392 0.000 0.990 81 V HN 0.706 nan 8.190 nan 0.000 0.453 82 I N 3.929 124.430 120.570 -0.114 0.000 2.328 82 I HA 0.270 4.440 4.170 0.001 0.000 0.287 82 I C 0.558 176.724 176.117 0.083 0.000 1.012 82 I CA -0.099 61.185 61.300 -0.027 0.000 1.195 82 I CB 1.715 39.619 38.000 -0.160 0.000 1.350 82 I HN 0.590 nan 8.210 nan 0.000 0.464 83 S N 5.951 121.722 115.700 0.117 0.000 2.465 83 S HA 0.129 4.600 4.470 0.001 0.000 0.280 83 S C 1.245 175.800 174.600 -0.074 0.000 1.232 83 S CA -0.308 57.887 58.200 -0.008 0.000 1.066 83 S CB 0.390 63.618 63.200 0.046 0.000 0.929 83 S HN 0.594 nan 8.310 nan 0.000 0.494 84 K N 3.782 124.063 120.400 -0.199 0.000 2.152 84 K HA -0.150 4.170 4.320 0.001 0.000 0.206 84 K C 2.259 178.827 176.600 -0.054 0.000 1.048 84 K CA 1.169 57.404 56.287 -0.087 0.000 0.933 84 K CB -0.054 32.315 32.500 -0.218 0.000 0.721 84 K HN 0.633 nan 8.250 nan 0.000 0.447 85 R N 1.362 121.785 120.500 -0.130 0.000 2.061 85 R HA -0.150 4.190 4.340 0.001 0.000 0.230 85 R C 2.356 178.645 176.300 -0.019 0.000 1.140 85 R CA 1.591 57.643 56.100 -0.079 0.000 0.940 85 R CB -0.119 30.108 30.300 -0.121 0.000 0.839 85 R HN 0.172 nan 8.270 nan 0.000 0.429 86 Q N 0.284 120.077 119.800 -0.012 0.000 2.224 86 Q HA -0.019 4.322 4.340 0.001 0.000 0.203 86 Q C -0.525 175.516 176.000 0.069 0.000 0.970 86 Q CA 0.837 56.657 55.803 0.029 0.000 0.865 86 Q CB 0.499 29.258 28.738 0.035 0.000 0.922 86 Q HN 0.186 nan 8.270 nan 0.000 0.445 87 V N 2.267 122.238 119.914 0.094 0.000 2.350 87 V HA 0.215 4.336 4.120 0.001 0.000 0.285 87 V C -0.439 175.779 176.094 0.206 0.000 1.014 87 V CA -0.826 61.575 62.300 0.169 0.000 0.831 87 V CB 1.360 33.297 31.823 0.190 0.000 1.000 87 V HN 0.091 nan 8.190 nan 0.000 0.433 88 K N 4.029 124.541 120.400 0.187 0.000 2.382 88 K HA 0.224 4.544 4.320 0.001 0.000 0.275 88 K C 0.123 176.859 176.600 0.227 0.000 1.009 88 K CA 0.260 56.650 56.287 0.171 0.000 0.970 88 K CB 0.525 33.096 32.500 0.118 0.000 0.934 88 K HN 0.703 nan 8.250 nan 0.000 0.479 89 Q N 2.635 122.540 119.800 0.176 0.000 2.230 89 Q HA 0.144 4.485 4.340 0.001 0.000 0.248 89 Q C 0.330 176.320 176.000 -0.016 0.000 0.915 89 Q CA -0.445 55.390 55.803 0.054 0.000 0.900 89 Q CB 1.541 30.305 28.738 0.042 0.000 1.229 89 Q HN 0.543 nan 8.270 nan 0.000 0.439 90 K N 0.096 120.429 120.400 -0.112 0.000 2.211 90 K HA 0.021 4.341 4.320 0.001 0.000 0.201 90 K C 0.762 177.309 176.600 -0.088 0.000 1.052 90 K CA 0.966 57.202 56.287 -0.086 0.000 0.973 90 K CB 0.526 32.954 32.500 -0.121 0.000 0.766 90 K HN 0.740 nan 8.250 nan 0.000 0.466 91 T N -0.314 114.174 114.554 -0.110 0.000 2.883 91 T HA 0.188 4.538 4.350 0.001 0.000 0.284 91 T C -0.559 174.115 174.700 -0.044 0.000 1.041 91 T CA -1.212 60.844 62.100 -0.073 0.000 1.007 91 T CB 1.477 70.310 68.868 -0.060 0.000 1.220 91 T HN 0.001 nan 8.240 nan 0.000 0.552 92 D N -0.071 120.312 120.400 -0.028 0.000 2.357 92 D HA 0.125 4.765 4.640 0.001 0.000 0.242 92 D C 0.887 177.172 176.300 -0.024 0.000 1.153 92 D CA -0.673 53.319 54.000 -0.014 0.000 0.918 92 D CB 1.159 41.952 40.800 -0.011 0.000 1.181 92 D HN 0.735 nan 8.370 nan 0.000 0.435 93 K N 0.337 120.739 120.400 0.003 0.000 2.147 93 K HA -0.187 4.134 4.320 0.001 0.000 0.205 93 K C 1.579 178.150 176.600 -0.048 0.000 1.049 93 K CA 1.243 57.533 56.287 0.005 0.000 0.936 93 K CB 0.080 32.633 32.500 0.087 0.000 0.722 93 K HN 0.451 nan 8.250 nan 0.000 0.446 94 E N -0.391 119.790 120.200 -0.033 0.000 2.110 94 E HA -0.161 4.189 4.350 0.001 0.000 0.193 94 E C 1.950 178.506 176.600 -0.074 0.000 0.988 94 E CA 1.259 57.632 56.400 -0.045 0.000 0.804 94 E CB -0.006 29.679 29.700 -0.024 0.000 0.745 94 E HN 0.197 nan 8.360 nan 0.000 0.458 95 S N 0.409 116.072 115.700 -0.062 0.000 2.371 95 S HA -0.113 4.357 4.470 0.001 0.000 0.224 95 S C 1.934 176.453 174.600 -0.134 0.000 1.029 95 S CA 0.641 58.819 58.200 -0.037 0.000 0.978 95 S CB -0.127 63.090 63.200 0.029 0.000 0.833 95 S HN 0.203 nan 8.310 nan 0.000 0.466 96 L N 1.853 122.904 121.223 -0.286 0.000 1.989 96 L HA 0.036 4.377 4.340 0.001 0.000 0.211 96 L C 2.166 178.693 176.870 -0.572 0.000 1.071 96 L CA 1.805 56.240 54.840 -0.675 0.000 0.749 96 L CB -0.785 40.904 42.059 -0.616 0.000 0.890 96 L HN 0.392 nan 8.230 nan 0.000 0.431 97 L N -0.853 120.129 121.223 -0.401 0.000 2.079 97 L HA -0.232 4.109 4.340 0.001 0.000 0.210 97 L C 2.815 179.520 176.870 -0.275 0.000 1.081 97 L CA 1.580 56.194 54.840 -0.376 0.000 0.752 97 L CB -0.460 41.482 42.059 -0.195 0.000 0.896 97 L HN 0.304 nan 8.230 nan 0.000 0.433 98 R N 0.204 120.586 120.500 -0.196 0.000 2.066 98 R HA -0.216 4.124 4.340 0.001 0.000 0.232 98 R C 2.271 178.490 176.300 -0.136 0.000 1.131 98 R CA 1.684 57.706 56.100 -0.129 0.000 0.955 98 R CB -0.072 30.179 30.300 -0.081 0.000 0.851 98 R HN 0.289 nan 8.270 nan 0.000 0.432 99 E N -0.530 119.566 120.200 -0.173 0.000 2.077 99 E HA -0.157 4.194 4.350 0.001 0.000 0.193 99 E C 1.755 178.256 176.600 -0.165 0.000 0.989 99 E CA 1.425 57.744 56.400 -0.135 0.000 0.800 99 E CB 0.074 29.716 29.700 -0.098 0.000 0.746 99 E HN 0.152 nan 8.360 nan 0.000 0.452 100 V N 0.892 120.637 119.914 -0.281 0.000 2.287 100 V HA -0.289 3.831 4.120 0.001 0.000 0.248 100 V C 2.533 178.549 176.094 -0.130 0.000 1.053 100 V CA 2.173 64.326 62.300 -0.244 0.000 1.027 100 V CB -0.651 30.890 31.823 -0.469 0.000 0.646 100 V HN 0.369 nan 8.190 nan 0.000 0.447 101 Q N -0.150 119.571 119.800 -0.132 0.000 2.124 101 Q HA -0.211 4.130 4.340 0.001 0.000 0.202 101 Q C 1.925 177.907 176.000 -0.030 0.000 0.977 101 Q CA 1.974 57.739 55.803 -0.063 0.000 0.850 101 Q CB -0.566 28.134 28.738 -0.063 0.000 0.901 101 Q HN 0.533 nan 8.270 nan 0.000 0.429 102 L N -0.312 120.887 121.223 -0.041 0.000 2.017 102 L HA -0.084 4.257 4.340 0.001 0.000 0.208 102 L C 2.024 178.895 176.870 0.002 0.000 1.073 102 L CA 1.726 56.555 54.840 -0.019 0.000 0.745 102 L CB -0.759 41.283 42.059 -0.028 0.000 0.894 102 L HN 0.403 nan 8.230 nan 0.000 0.432 103 L N -0.544 120.678 121.223 -0.002 0.000 2.042 103 L HA -0.278 4.062 4.340 0.001 0.000 0.210 103 L C 2.573 179.475 176.870 0.053 0.000 1.076 103 L CA 1.650 56.507 54.840 0.028 0.000 0.749 103 L CB -0.578 41.496 42.059 0.024 0.000 0.893 103 L HN 0.277 nan 8.230 nan 0.000 0.432 104 K N -0.298 120.132 120.400 0.049 0.000 2.211 104 K HA -0.215 4.105 4.320 0.001 0.000 0.204 104 K C 1.985 178.639 176.600 0.090 0.000 1.047 104 K CA 1.279 57.615 56.287 0.081 0.000 0.935 104 K CB -0.080 32.468 32.500 0.081 0.000 0.728 104 K HN 0.429 nan 8.250 nan 0.000 0.452 105 Q N 0.063 119.906 119.800 0.071 0.000 2.424 105 Q HA 0.121 4.462 4.340 0.001 0.000 0.204 105 Q C 0.053 176.117 176.000 0.107 0.000 0.933 105 Q CA 0.135 55.984 55.803 0.078 0.000 0.929 105 Q CB 0.312 29.082 28.738 0.053 0.000 1.037 105 Q HN 0.212 nan 8.270 nan 0.000 0.511 106 L N 0.688 121.987 121.223 0.126 0.000 2.379 106 L HA 0.396 4.736 4.340 0.001 0.000 0.269 106 L C -0.559 176.436 176.870 0.208 0.000 1.084 106 L CA -0.647 54.324 54.840 0.218 0.000 0.802 106 L CB 1.024 43.215 42.059 0.221 0.000 1.175 106 L HN -0.051 nan 8.230 nan 0.000 0.448 107 D N 0.735 121.268 120.400 0.222 0.000 2.891 107 D HA 0.353 4.993 4.640 0.001 0.000 0.224 107 D C -1.395 174.778 176.300 -0.212 0.000 1.321 107 D CA -0.250 53.775 54.000 0.041 0.000 0.929 107 D CB 1.120 41.945 40.800 0.041 0.000 1.551 107 D HN 0.446 nan 8.370 nan 0.000 0.574 108 H N 4.028 122.915 119.070 -0.305 0.000 3.086 108 H HA 0.278 4.834 4.556 0.000 0.000 0.353 108 H C -2.362 172.848 175.328 -0.196 0.000 1.134 108 H CA -1.321 54.466 56.048 -0.434 0.000 1.248 108 H CB 2.738 32.059 29.762 -0.735 0.000 1.878 108 H HN 0.185 nan 8.280 nan 0.000 0.527 109 P HA 0.002 nan 4.420 nan 0.000 0.230 109 P C -0.014 177.277 177.300 -0.014 0.000 1.158 109 P CA 0.806 63.815 63.100 -0.151 0.000 0.769 109 P CB 0.358 31.933 31.700 -0.208 0.000 0.807 110 N N -0.724 118.106 118.700 0.217 0.000 2.214 110 N HA 0.132 4.873 4.740 0.001 0.000 0.214 110 N C -0.212 175.367 175.510 0.115 0.000 1.132 110 N CA -0.217 52.923 53.050 0.151 0.000 0.856 110 N CB 0.381 38.978 38.487 0.183 0.000 1.020 110 N HN 0.024 nan 8.380 nan 0.000 0.509 111 I N 1.373 122.018 120.570 0.125 0.000 2.436 111 I HA 0.222 4.392 4.170 0.001 0.000 0.289 111 I C 0.096 176.292 176.117 0.133 0.000 1.010 111 I CA -0.866 60.502 61.300 0.114 0.000 1.098 111 I CB 1.380 39.424 38.000 0.073 0.000 1.266 111 I HN 0.162 nan 8.210 nan 0.000 0.434 112 M N 5.133 124.849 119.600 0.193 0.000 2.261 112 M HA -0.052 4.429 4.480 0.001 0.000 0.350 112 M C 0.053 176.454 176.300 0.168 0.000 1.343 112 M CA 0.290 55.773 55.300 0.303 0.000 1.003 112 M CB 0.296 33.093 32.600 0.329 0.000 1.848 112 M HN 0.457 nan 8.290 nan 0.000 0.456 113 K N 4.819 125.286 120.400 0.112 0.000 2.312 113 K HA 0.317 4.637 4.320 0.001 0.000 0.287 113 K C -1.387 175.040 176.600 -0.288 0.000 1.062 113 K CA -0.367 55.873 56.287 -0.077 0.000 0.934 113 K CB 0.628 33.060 32.500 -0.114 0.000 1.027 113 K HN 0.654 nan 8.250 nan 0.000 0.478 114 L N 5.986 127.119 121.223 -0.150 0.000 2.292 114 L HA 0.282 4.622 4.340 0.001 0.000 0.284 114 L C -0.419 176.423 176.870 -0.046 0.000 1.065 114 L CA 0.224 54.994 54.840 -0.118 0.000 0.806 114 L CB 0.665 42.737 42.059 0.022 0.000 1.175 114 L HN 0.751 nan 8.230 nan 0.000 0.431 115 Y N 1.743 122.115 120.300 0.119 0.000 2.464 115 Y HA 0.393 4.944 4.550 0.001 0.000 0.288 115 Y C 0.624 176.613 175.900 0.148 0.000 1.133 115 Y CA -0.309 57.868 58.100 0.130 0.000 1.223 115 Y CB 0.330 38.877 38.460 0.145 0.000 1.187 115 Y HN 0.534 nan 8.280 nan 0.000 0.539 116 E N -1.333 119.071 120.200 0.340 0.000 2.423 116 E HA 0.335 4.686 4.350 0.001 0.000 0.280 116 E C -2.067 174.724 176.600 0.319 0.000 1.030 116 E CA -0.883 55.686 56.400 0.282 0.000 0.812 116 E CB 2.910 32.834 29.700 0.373 0.000 1.313 116 E HN -0.136 nan 8.360 nan 0.000 0.456 117 F N 1.918 121.864 119.950 -0.007 0.000 2.561 117 F HA 0.618 5.146 4.527 0.001 0.000 0.313 117 F C -1.987 173.761 175.800 -0.087 0.000 1.126 117 F CA -0.428 57.617 58.000 0.075 0.000 0.918 117 F CB 0.871 39.898 39.000 0.045 0.000 1.199 117 F HN 0.369 nan 8.300 nan 0.000 0.444 118 F N 3.265 122.991 119.950 -0.373 0.000 2.593 118 F HA 0.584 5.111 4.527 0.001 0.000 0.320 118 F C -0.594 174.988 175.800 -0.364 0.000 1.060 118 F CA -0.855 56.998 58.000 -0.245 0.000 0.940 118 F CB 2.227 41.267 39.000 0.067 0.000 1.268 118 F HN 0.484 nan 8.300 nan 0.000 0.475 119 E N 1.208 121.461 120.200 0.088 0.000 2.308 119 E HA 0.361 4.711 4.350 0.001 0.000 0.275 119 E C -2.042 174.652 176.600 0.158 0.000 0.890 119 E CA -0.720 55.715 56.400 0.059 0.000 0.754 119 E CB 2.123 31.850 29.700 0.045 0.000 1.207 119 E HN 0.690 nan 8.360 nan 0.000 0.426 120 D N 2.308 122.794 120.400 0.142 0.000 2.727 120 D HA 0.166 4.806 4.640 0.001 0.000 0.264 120 D C 0.738 177.025 176.300 -0.022 0.000 1.101 120 D CA -0.685 53.383 54.000 0.113 0.000 1.122 120 D CB 0.495 41.423 40.800 0.214 0.000 1.390 120 D HN 0.378 nan 8.370 nan 0.000 0.606 121 K N -1.085 119.308 120.400 -0.012 0.000 2.152 121 K HA -0.074 4.246 4.320 0.001 0.000 0.206 121 K C 1.489 177.983 176.600 -0.177 0.000 1.048 121 K CA 1.712 57.955 56.287 -0.073 0.000 0.933 121 K CB -0.503 31.976 32.500 -0.036 0.000 0.721 121 K HN 0.563 nan 8.250 nan 0.000 0.447 122 G N -1.392 107.268 108.800 -0.232 0.000 2.944 122 G HA2 0.118 4.079 3.960 0.001 0.000 0.220 122 G HA3 0.118 4.079 3.960 0.001 0.000 0.220 122 G C -0.422 173.921 174.900 -0.928 0.000 1.100 122 G CA -0.119 44.645 45.100 -0.561 0.000 0.780 122 G HN 0.127 nan 8.290 nan 0.000 0.539 123 Y N -1.350 118.748 120.300 -0.337 0.000 2.597 123 Y HA 0.640 5.190 4.550 0.001 0.000 0.340 123 Y C -1.100 174.383 175.900 -0.695 0.000 1.097 123 Y CA -1.656 56.123 58.100 -0.535 0.000 1.037 123 Y CB 1.465 39.478 38.460 -0.745 0.000 1.305 123 Y HN -0.105 nan 8.280 nan 0.000 0.463 124 F N 1.138 120.954 119.950 -0.224 0.000 2.450 124 F HA 0.561 5.088 4.527 0.001 0.000 0.332 124 F C -1.001 174.522 175.800 -0.462 0.000 1.093 124 F CA -1.221 56.643 58.000 -0.227 0.000 1.003 124 F CB 1.025 40.043 39.000 0.031 0.000 1.151 124 F HN 0.255 nan 8.300 nan 0.000 0.474 125 Y N 3.324 123.618 120.300 -0.010 0.000 2.326 125 Y HA 0.559 5.110 4.550 0.001 0.000 0.331 125 Y C -0.677 175.251 175.900 0.047 0.000 0.962 125 Y CA -0.848 57.173 58.100 -0.133 0.000 1.167 125 Y CB 1.199 39.405 38.460 -0.423 0.000 1.148 125 Y HN 0.297 nan 8.280 nan 0.000 0.463 126 L N 5.029 126.357 121.223 0.174 0.000 2.276 126 L HA 0.570 4.910 4.340 0.001 0.000 0.286 126 L C -0.772 176.195 176.870 0.162 0.000 1.024 126 L CA -0.972 54.002 54.840 0.223 0.000 0.826 126 L CB 1.079 43.239 42.059 0.169 0.000 1.211 126 L HN 0.362 nan 8.230 nan 0.000 0.422 127 V N 2.689 122.732 119.914 0.215 0.000 2.394 127 V HA 0.809 4.929 4.120 0.001 0.000 0.282 127 V C 0.591 176.752 176.094 0.111 0.000 1.031 127 V CA -0.248 62.140 62.300 0.145 0.000 0.881 127 V CB 1.152 33.073 31.823 0.163 0.000 0.982 127 V HN 0.906 nan 8.190 nan 0.000 0.451 128 G N 3.017 111.817 108.800 -0.000 0.000 2.921 128 G HA2 0.549 4.509 3.960 0.001 0.000 0.291 128 G HA3 0.549 4.509 3.960 0.001 0.000 0.291 128 G C -1.139 173.589 174.900 -0.285 0.000 1.370 128 G CA -0.639 44.301 45.100 -0.266 0.000 0.847 128 G HN 0.613 nan 8.290 nan 0.000 0.532 129 E N -0.593 119.282 120.200 -0.542 0.000 2.360 129 E HA 0.327 4.677 4.350 0.001 0.000 0.269 129 E C -0.425 175.790 176.600 -0.643 0.000 1.022 129 E CA -0.302 55.850 56.400 -0.413 0.000 0.887 129 E CB 1.362 30.816 29.700 -0.411 0.000 0.990 129 E HN 0.285 nan 8.360 nan 0.000 0.426 130 V N 6.203 125.850 119.914 -0.446 0.000 2.465 130 V HA 0.265 4.386 4.120 0.001 0.000 0.279 130 V C -1.373 174.433 176.094 -0.479 0.000 1.045 130 V CA -0.289 61.776 62.300 -0.392 0.000 0.938 130 V CB 0.368 32.119 31.823 -0.120 0.000 0.986 130 V HN 0.558 nan 8.190 nan 0.000 0.467 131 Y N 3.495 123.825 120.300 0.049 0.000 2.393 131 Y HA 0.487 5.037 4.550 0.001 0.000 0.341 131 Y C 1.144 177.070 175.900 0.043 0.000 0.988 131 Y CA -0.684 57.444 58.100 0.047 0.000 1.078 131 Y CB 2.099 40.586 38.460 0.045 0.000 1.203 131 Y HN 0.691 nan 8.280 nan 0.000 0.453 132 T N -3.344 111.327 114.554 0.196 0.000 3.044 132 T HA 0.188 4.539 4.350 0.001 0.000 0.260 132 T C 1.492 176.251 174.700 0.099 0.000 1.019 132 T CA 0.393 62.563 62.100 0.116 0.000 0.921 132 T CB 0.046 68.967 68.868 0.088 0.000 1.053 132 T HN 0.783 nan 8.240 nan 0.000 0.533 133 G N 0.854 109.721 108.800 0.111 0.000 2.920 133 G HA2 0.487 4.447 3.960 0.001 0.000 0.208 133 G HA3 0.487 4.447 3.960 0.001 0.000 0.208 133 G C 0.982 175.925 174.900 0.072 0.000 1.159 133 G CA 0.015 45.163 45.100 0.080 0.000 0.784 133 G HN 1.022 nan 8.290 nan 0.000 0.535 134 G N 0.008 108.857 108.800 0.081 0.000 2.750 134 G HA2 -0.205 3.756 3.960 0.001 0.000 0.228 134 G HA3 -0.205 3.756 3.960 0.001 0.000 0.228 134 G C -0.332 174.608 174.900 0.066 0.000 1.367 134 G CA -0.431 44.711 45.100 0.069 0.000 0.871 134 G HN 0.473 nan 8.290 nan 0.000 0.560 135 E N -0.235 119.999 120.200 0.057 0.000 2.354 135 E HA 0.325 4.676 4.350 0.001 0.000 0.269 135 E C 1.565 178.216 176.600 0.085 0.000 1.036 135 E CA -0.223 56.206 56.400 0.049 0.000 0.876 135 E CB 1.358 31.072 29.700 0.023 0.000 1.009 135 E HN 0.619 nan 8.360 nan 0.000 0.416 136 L N 3.488 124.770 121.223 0.098 0.000 1.997 136 L HA -0.250 4.090 4.340 0.001 0.000 0.216 136 L C 1.597 178.632 176.870 0.275 0.000 1.074 136 L CA 1.932 56.877 54.840 0.175 0.000 0.763 136 L CB -0.333 41.852 42.059 0.210 0.000 0.890 136 L HN 0.582 nan 8.230 nan 0.000 0.434 137 F N 0.330 120.278 119.950 -0.003 0.000 2.171 137 F HA -0.164 4.363 4.527 0.001 0.000 0.300 137 F C 2.380 178.163 175.800 -0.027 0.000 1.090 137 F CA 1.272 59.262 58.000 -0.018 0.000 1.293 137 F CB -1.076 37.932 39.000 0.013 0.000 1.013 137 F HN 0.241 nan 8.300 nan 0.000 0.486 138 D N -0.215 120.289 120.400 0.174 0.000 2.263 138 D HA -0.155 4.486 4.640 0.001 0.000 0.208 138 D C 2.271 178.599 176.300 0.047 0.000 0.971 138 D CA 0.756 54.805 54.000 0.083 0.000 0.867 138 D CB -0.150 40.690 40.800 0.066 0.000 0.929 138 D HN 0.339 nan 8.370 nan 0.000 0.492 139 E N 0.733 120.967 120.200 0.057 0.000 2.060 139 E HA -0.045 4.305 4.350 0.001 0.000 0.189 139 E C 2.345 178.942 176.600 -0.005 0.000 0.974 139 E CA 0.134 56.555 56.400 0.035 0.000 0.808 139 E CB -0.032 29.701 29.700 0.056 0.000 0.768 139 E HN 0.257 nan 8.360 nan 0.000 0.453 140 I N 2.047 122.592 120.570 -0.042 0.000 2.264 140 I HA -0.281 3.890 4.170 0.001 0.000 0.248 140 I C 2.598 178.591 176.117 -0.207 0.000 1.111 140 I CA 1.132 62.325 61.300 -0.178 0.000 1.382 140 I CB -0.435 37.325 38.000 -0.400 0.000 1.060 140 I HN 0.216 nan 8.210 nan 0.000 0.418 141 I N -1.111 119.365 120.570 -0.157 0.000 2.916 141 I HA -0.162 4.008 4.170 0.001 0.000 0.267 141 I C 2.294 178.359 176.117 -0.086 0.000 1.263 141 I CA 1.478 62.699 61.300 -0.132 0.000 1.471 141 I CB -0.460 37.489 38.000 -0.086 0.000 1.089 141 I HN 0.167 nan 8.210 nan 0.000 0.468 142 S N 0.213 115.878 115.700 -0.058 0.000 2.548 142 S HA 0.224 4.695 4.470 0.001 0.000 0.215 142 S C 1.036 175.620 174.600 -0.027 0.000 0.976 142 S CA -0.554 57.625 58.200 -0.035 0.000 0.908 142 S CB -0.208 62.983 63.200 -0.015 0.000 0.781 142 S HN 0.437 nan 8.310 nan 0.000 0.519 143 R N 1.231 121.712 120.500 -0.032 0.000 2.539 143 R HA 0.346 4.686 4.340 0.001 0.000 0.275 143 R C 0.723 177.019 176.300 -0.007 0.000 1.077 143 R CA -0.143 55.957 56.100 0.000 0.000 1.097 143 R CB 0.544 30.871 30.300 0.045 0.000 1.018 143 R HN 0.277 nan 8.270 nan 0.000 0.483 144 K N 1.532 121.937 120.400 0.008 0.000 2.242 144 K HA -0.012 4.308 4.320 0.001 0.000 0.200 144 K C 0.557 177.168 176.600 0.018 0.000 1.050 144 K CA 0.729 57.016 56.287 0.001 0.000 0.981 144 K CB 0.317 32.816 32.500 -0.002 0.000 0.795 144 K HN 0.474 nan 8.250 nan 0.000 0.477 145 R N -0.334 120.193 120.500 0.045 0.000 2.740 145 R HA 0.488 4.828 4.340 0.001 0.000 0.282 145 R C -1.474 174.923 176.300 0.160 0.000 0.969 145 R CA -0.712 55.428 56.100 0.067 0.000 0.918 145 R CB 1.049 31.366 30.300 0.029 0.000 1.175 145 R HN -0.126 nan 8.270 nan 0.000 0.464 146 F N 1.992 121.914 119.950 -0.047 0.000 2.651 146 F HA 0.407 4.935 4.527 0.001 0.000 0.329 146 F C -1.215 174.561 175.800 -0.040 0.000 1.186 146 F CA -0.077 57.894 58.000 -0.048 0.000 1.046 146 F CB 2.103 41.059 39.000 -0.073 0.000 1.296 146 F HN 0.944 nan 8.300 nan 0.000 0.497 147 S N 3.194 118.636 115.700 -0.430 0.000 2.798 147 S HA 0.484 4.954 4.470 0.001 0.000 0.312 147 S C 0.662 175.060 174.600 -0.337 0.000 1.122 147 S CA -0.565 57.483 58.200 -0.254 0.000 0.949 147 S CB 1.688 64.809 63.200 -0.133 0.000 1.235 147 S HN 0.711 nan 8.310 nan 0.000 0.552 148 E N -0.042 120.095 120.200 -0.105 0.000 2.153 148 E HA -0.089 4.261 4.350 0.001 0.000 0.194 148 E C 1.907 178.463 176.600 -0.074 0.000 0.988 148 E CA 1.147 57.534 56.400 -0.022 0.000 0.811 148 E CB -0.429 29.259 29.700 -0.020 0.000 0.746 148 E HN 0.443 nan 8.360 nan 0.000 0.466 149 V N 2.173 122.076 119.914 -0.020 0.000 2.343 149 V HA -0.254 3.866 4.120 0.001 0.000 0.247 149 V C 1.760 177.740 176.094 -0.191 0.000 1.051 149 V CA 1.920 64.182 62.300 -0.063 0.000 1.036 149 V CB -0.426 31.367 31.823 -0.050 0.000 0.654 149 V HN 0.221 nan 8.190 nan 0.000 0.451 150 D N 0.527 120.732 120.400 -0.326 0.000 2.097 150 D HA -0.109 4.531 4.640 0.001 0.000 0.197 150 D C 2.285 178.392 176.300 -0.321 0.000 0.984 150 D CA 1.621 55.379 54.000 -0.403 0.000 0.826 150 D CB -0.324 40.029 40.800 -0.745 0.000 0.973 150 D HN 0.438 nan 8.370 nan 0.000 0.460 151 A N 1.493 124.077 122.820 -0.394 0.000 1.883 151 A HA -0.135 4.186 4.320 0.001 0.000 0.217 151 A C 2.371 180.041 177.584 0.142 0.000 1.186 151 A CA 2.552 54.626 52.037 0.062 0.000 0.624 151 A CB -0.787 18.343 19.000 0.217 0.000 0.822 151 A HN 0.255 nan 8.150 nan 0.000 0.444 152 A N -0.406 122.355 122.820 -0.099 0.000 1.902 152 A HA -0.169 4.152 4.320 0.001 0.000 0.217 152 A C 2.262 179.757 177.584 -0.149 0.000 1.181 152 A CA 1.517 53.300 52.037 -0.423 0.000 0.623 152 A CB -0.483 17.943 19.000 -0.957 0.000 0.818 152 A HN 0.556 nan 8.150 nan 0.000 0.443 153 R N -0.679 119.755 120.500 -0.109 0.000 2.081 153 R HA -0.065 4.276 4.340 0.001 0.000 0.235 153 R C 2.041 178.354 176.300 0.022 0.000 1.131 153 R CA 1.537 57.609 56.100 -0.047 0.000 0.960 153 R CB -0.566 29.704 30.300 -0.050 0.000 0.856 153 R HN 0.570 nan 8.270 nan 0.000 0.436 154 I N 0.779 121.389 120.570 0.065 0.000 2.127 154 I HA -0.309 3.862 4.170 0.001 0.000 0.241 154 I C 2.221 178.415 176.117 0.128 0.000 1.075 154 I CA 1.214 62.587 61.300 0.121 0.000 1.334 154 I CB -0.210 37.908 38.000 0.198 0.000 1.040 154 I HN 0.116 nan 8.210 nan 0.000 0.405 155 I N 0.403 121.069 120.570 0.160 0.000 2.439 155 I HA -0.222 3.949 4.170 0.001 0.000 0.251 155 I C 2.588 178.790 176.117 0.142 0.000 1.139 155 I CA 1.260 62.669 61.300 0.182 0.000 1.438 155 I CB -1.205 36.969 38.000 0.290 0.000 1.085 155 I HN 0.306 nan 8.210 nan 0.000 0.427 156 R N 0.980 121.541 120.500 0.101 0.000 2.120 156 R HA -0.183 4.157 4.340 0.001 0.000 0.234 156 R C 2.137 178.485 176.300 0.079 0.000 1.123 156 R CA 1.345 57.492 56.100 0.078 0.000 0.975 156 R CB 0.003 30.322 30.300 0.032 0.000 0.866 156 R HN 0.426 nan 8.270 nan 0.000 0.446 157 Q N -0.448 119.397 119.800 0.076 0.000 2.123 157 Q HA -0.082 4.258 4.340 0.001 0.000 0.199 157 Q C 2.130 178.183 176.000 0.088 0.000 0.966 157 Q CA 1.514 57.366 55.803 0.080 0.000 0.845 157 Q CB 0.252 29.028 28.738 0.064 0.000 0.907 157 Q HN 0.221 nan 8.270 nan 0.000 0.439 158 V N 1.126 121.093 119.914 0.088 0.000 2.307 158 V HA -0.248 3.873 4.120 0.001 0.000 0.245 158 V C 2.193 178.331 176.094 0.074 0.000 1.045 158 V CA 1.473 63.824 62.300 0.085 0.000 1.024 158 V CB -0.505 31.370 31.823 0.086 0.000 0.651 158 V HN 0.332 nan 8.190 nan 0.000 0.449 159 L N -0.025 121.245 121.223 0.078 0.000 2.083 159 L HA -0.168 4.172 4.340 0.001 0.000 0.209 159 L C 2.731 179.620 176.870 0.031 0.000 1.083 159 L CA 1.748 56.625 54.840 0.062 0.000 0.752 159 L CB -0.635 41.479 42.059 0.091 0.000 0.899 159 L HN 0.390 nan 8.230 nan 0.000 0.433 160 S N 0.062 115.795 115.700 0.055 0.000 2.356 160 S HA -0.148 4.323 4.470 0.001 0.000 0.223 160 S C 2.042 176.556 174.600 -0.143 0.000 1.032 160 S CA 1.508 59.746 58.200 0.064 0.000 1.005 160 S CB -0.461 62.845 63.200 0.176 0.000 0.867 160 S HN 0.517 nan 8.310 nan 0.000 0.449 161 G N 1.340 110.033 108.800 -0.178 0.000 2.421 161 G HA2 -0.122 3.838 3.960 0.001 0.000 0.216 161 G HA3 -0.122 3.838 3.960 0.001 0.000 0.216 161 G C 1.432 176.147 174.900 -0.308 0.000 1.171 161 G CA 0.966 45.813 45.100 -0.422 0.000 0.775 161 G HN 0.570 nan 8.290 nan 0.000 0.543 162 I N 0.779 121.275 120.570 -0.122 0.000 2.179 162 I HA -0.171 4.000 4.170 0.001 0.000 0.242 162 I C 3.015 178.899 176.117 -0.388 0.000 1.088 162 I CA 1.479 62.678 61.300 -0.168 0.000 1.357 162 I CB -0.502 37.456 38.000 -0.070 0.000 1.051 162 I HN 0.094 nan 8.210 nan 0.000 0.409 163 T N -0.056 114.375 114.554 -0.206 0.000 2.684 163 T HA -0.282 4.068 4.350 0.001 0.000 0.267 163 T C 1.791 176.455 174.700 -0.059 0.000 1.036 163 T CA 1.774 63.815 62.100 -0.098 0.000 1.148 163 T CB -0.507 68.364 68.868 0.006 0.000 0.863 163 T HN 0.373 nan 8.240 nan 0.000 0.436 164 Y N 1.342 121.498 120.300 -0.240 0.000 2.181 164 Y HA -0.135 4.415 4.550 0.000 0.000 0.288 164 Y C 2.228 178.006 175.900 -0.203 0.000 1.146 164 Y CA 1.238 59.214 58.100 -0.207 0.000 1.164 164 Y CB -0.284 37.970 38.460 -0.343 0.000 0.982 164 Y HN 0.054 nan 8.280 nan 0.000 0.515 165 M N -0.755 118.645 119.600 -0.332 0.000 2.200 165 M HA -0.174 4.306 4.480 0.001 0.000 0.265 165 M C 2.010 178.245 176.300 -0.109 0.000 1.066 165 M CA 1.647 56.696 55.300 -0.419 0.000 1.127 165 M CB -1.506 30.514 32.600 -0.966 0.000 1.379 165 M HN 0.493 nan 8.290 nan 0.000 0.420 166 H N -0.222 118.778 119.070 -0.116 0.000 2.423 166 H HA -0.068 4.488 4.556 0.001 0.000 0.297 166 H C 2.030 177.318 175.328 -0.067 0.000 1.075 166 H CA 0.737 56.772 56.048 -0.022 0.000 1.342 166 H CB 0.190 29.979 29.762 0.045 0.000 1.395 166 H HN 0.364 nan 8.280 nan 0.000 0.530 167 K N 0.600 121.004 120.400 0.007 0.000 2.103 167 K HA -0.108 4.213 4.320 0.001 0.000 0.207 167 K C 1.178 177.711 176.600 -0.112 0.000 1.048 167 K CA 0.993 57.242 56.287 -0.063 0.000 0.930 167 K CB 0.070 32.502 32.500 -0.114 0.000 0.716 167 K HN 0.341 nan 8.250 nan 0.000 0.444 168 N N 0.817 119.407 118.700 -0.184 0.000 2.314 168 N HA 0.019 4.760 4.740 0.001 0.000 0.200 168 N C -0.660 174.803 175.510 -0.079 0.000 1.135 168 N CA 0.266 53.217 53.050 -0.165 0.000 0.835 168 N CB 0.614 38.940 38.487 -0.267 0.000 0.989 168 N HN 0.112 nan 8.380 nan 0.000 0.478 169 K N 0.324 120.702 120.400 -0.037 0.000 3.129 169 K HA -0.163 4.157 4.320 0.001 0.000 0.273 169 K C -0.546 176.066 176.600 0.019 0.000 1.123 169 K CA 0.632 56.910 56.287 -0.015 0.000 0.800 169 K CB -1.727 30.755 32.500 -0.030 0.000 1.238 169 K HN 0.301 nan 8.250 nan 0.000 0.492 170 I N 0.999 121.610 120.570 0.068 0.000 2.354 170 I HA 0.275 4.446 4.170 0.001 0.000 0.292 170 I C 0.419 176.756 176.117 0.368 0.000 0.989 170 I CA -1.163 60.233 61.300 0.160 0.000 1.188 170 I CB 1.737 39.806 38.000 0.114 0.000 1.342 170 I HN -0.223 nan 8.210 nan 0.000 0.457 171 V N 5.098 125.215 119.914 0.338 0.000 2.667 171 V HA 0.235 4.356 4.120 0.001 0.000 0.308 171 V C 0.643 176.911 176.094 0.290 0.000 1.048 171 V CA -0.468 62.050 62.300 0.364 0.000 0.928 171 V CB 1.858 33.789 31.823 0.180 0.000 1.004 171 V HN 0.731 nan 8.190 nan 0.000 0.444 172 H N 3.402 122.434 119.070 -0.063 0.000 2.337 172 H HA 0.151 4.708 4.556 0.001 0.000 0.311 172 H C 1.940 177.178 175.328 -0.151 0.000 1.054 172 H CA 1.674 57.463 56.048 -0.431 0.000 1.385 172 H CB 0.444 29.578 29.762 -1.047 0.000 1.437 172 H HN 0.725 nan 8.280 nan 0.000 0.553 173 R N -0.720 119.853 120.500 0.123 0.000 3.331 173 R HA -0.142 4.199 4.340 0.001 0.000 0.316 173 R C -0.557 175.755 176.300 0.020 0.000 0.631 173 R CA 1.745 57.849 56.100 0.007 0.000 1.595 173 R CB -1.526 28.724 30.300 -0.083 0.000 1.609 173 R HN 0.369 nan 8.270 nan 0.000 0.455 174 D N 1.096 121.619 120.400 0.207 0.000 2.643 174 D HA 0.152 4.792 4.640 0.001 0.000 0.244 174 D C -0.363 175.833 176.300 -0.173 0.000 1.257 174 D CA -0.249 53.804 54.000 0.089 0.000 0.831 174 D CB 0.251 41.154 40.800 0.172 0.000 1.043 174 D HN 0.056 nan 8.370 nan 0.000 0.488 175 L N 2.269 123.216 121.223 -0.460 0.000 2.462 175 L HA 0.094 4.434 4.340 0.001 0.000 0.272 175 L C 0.354 176.993 176.870 -0.385 0.000 1.166 175 L CA 0.725 55.169 54.840 -0.660 0.000 0.880 175 L CB -0.068 41.679 42.059 -0.520 0.000 1.142 175 L HN 0.076 nan 8.230 nan 0.000 0.473 176 K N 2.964 123.082 120.400 -0.470 0.000 2.578 176 K HA 0.494 4.814 4.320 0.001 0.000 0.287 176 K C -2.737 173.490 176.600 -0.622 0.000 1.010 176 K CA -1.552 54.293 56.287 -0.737 0.000 0.889 176 K CB 0.723 32.849 32.500 -0.622 0.000 1.514 176 K HN 0.009 nan 8.250 nan 0.000 0.424 177 P HA -0.231 nan 4.420 nan 0.000 0.216 177 P C 0.937 177.976 177.300 -0.435 0.000 1.150 177 P CA 1.425 64.075 63.100 -0.751 0.000 0.843 177 P CB 0.178 31.070 31.700 -1.347 0.000 0.787 178 E N -0.831 119.172 120.200 -0.330 0.000 2.265 178 E HA -0.174 4.177 4.350 0.001 0.000 0.196 178 E C 0.898 177.435 176.600 -0.106 0.000 0.996 178 E CA 0.721 57.020 56.400 -0.168 0.000 0.832 178 E CB -0.301 29.329 29.700 -0.118 0.000 0.756 178 E HN 0.138 nan 8.360 nan 0.000 0.491 179 N N 0.039 118.659 118.700 -0.133 0.000 2.270 179 N HA 0.092 4.832 4.740 0.001 0.000 0.198 179 N C -0.709 174.784 175.510 -0.029 0.000 1.117 179 N CA 0.274 53.296 53.050 -0.047 0.000 0.845 179 N CB 0.492 38.946 38.487 -0.056 0.000 0.980 179 N HN 0.137 nan 8.380 nan 0.000 0.486 180 L N 1.566 122.749 121.223 -0.067 0.000 2.301 180 L HA 0.432 4.773 4.340 0.001 0.000 0.278 180 L C -0.247 176.624 176.870 0.001 0.000 1.022 180 L CA -0.320 54.503 54.840 -0.027 0.000 0.854 180 L CB 1.084 43.117 42.059 -0.043 0.000 1.226 180 L HN -0.226 nan 8.230 nan 0.000 0.429 181 L N 3.648 124.883 121.223 0.020 0.000 2.360 181 L HA 0.558 4.898 4.340 0.001 0.000 0.271 181 L C -0.177 176.688 176.870 -0.009 0.000 1.057 181 L CA -0.710 54.153 54.840 0.038 0.000 0.803 181 L CB 1.891 44.019 42.059 0.114 0.000 1.207 181 L HN 0.446 nan 8.230 nan 0.000 0.445 182 L N 1.239 122.476 121.223 0.024 0.000 2.334 182 L HA 0.272 4.612 4.340 0.001 0.000 0.275 182 L C 1.094 177.975 176.870 0.019 0.000 1.036 182 L CA -0.393 54.451 54.840 0.006 0.000 0.807 182 L CB 1.723 43.806 42.059 0.040 0.000 1.231 182 L HN 0.643 nan 8.230 nan 0.000 0.438 183 E N 0.585 120.773 120.200 -0.019 0.000 2.274 183 E HA -0.056 4.294 4.350 0.001 0.000 0.194 183 E C 0.119 176.772 176.600 0.088 0.000 0.996 183 E CA 0.607 57.043 56.400 0.061 0.000 0.840 183 E CB 0.288 30.003 29.700 0.024 0.000 0.772 183 E HN 0.618 nan 8.360 nan 0.000 0.491 184 S N -0.178 115.557 115.700 0.058 0.000 2.550 184 S HA 0.272 4.742 4.470 0.001 0.000 0.270 184 S C -0.782 173.847 174.600 0.049 0.000 1.145 184 S CA -1.098 57.136 58.200 0.058 0.000 0.852 184 S CB 1.830 65.059 63.200 0.049 0.000 1.119 184 S HN -0.016 nan 8.310 nan 0.000 0.465 185 K N 1.718 122.146 120.400 0.048 0.000 2.081 185 K HA 0.328 4.648 4.320 0.001 0.000 0.230 185 K C -0.439 176.184 176.600 0.038 0.000 1.199 185 K CA 0.127 56.441 56.287 0.044 0.000 1.130 185 K CB -0.550 31.975 32.500 0.041 0.000 1.386 185 K HN 0.622 nan 8.250 nan 0.000 0.280 186 S N 1.617 117.342 115.700 0.040 0.000 2.537 186 S HA 0.170 4.640 4.470 0.001 0.000 0.271 186 S C 0.376 175.002 174.600 0.044 0.000 1.148 186 S CA -0.947 57.275 58.200 0.036 0.000 0.868 186 S CB 1.104 64.323 63.200 0.031 0.000 1.115 186 S HN 0.618 nan 8.310 nan 0.000 0.461 187 K N 1.492 121.920 120.400 0.046 0.000 2.362 187 K HA 0.037 4.357 4.320 0.001 0.000 0.200 187 K C 0.140 176.766 176.600 0.044 0.000 1.046 187 K CA 1.382 57.705 56.287 0.059 0.000 0.952 187 K CB -0.181 32.359 32.500 0.067 0.000 0.753 187 K HN 0.467 nan 8.250 nan 0.000 0.466 188 D N 1.322 121.740 120.400 0.029 0.000 2.349 188 D HA 0.080 4.720 4.640 0.001 0.000 0.215 188 D C 0.456 176.766 176.300 0.016 0.000 1.016 188 D CA 0.325 54.336 54.000 0.018 0.000 0.870 188 D CB 0.269 41.076 40.800 0.011 0.000 0.917 188 D HN 0.383 nan 8.370 nan 0.000 0.524 189 A N 0.900 123.733 122.820 0.023 0.000 2.386 189 A HA 0.201 4.521 4.320 0.001 0.000 0.248 189 A C 0.505 178.093 177.584 0.006 0.000 1.082 189 A CA -0.372 51.675 52.037 0.016 0.000 0.789 189 A CB 0.322 19.336 19.000 0.023 0.000 1.025 189 A HN -0.068 nan 8.150 nan 0.000 0.490 190 N N 0.166 118.859 118.700 -0.013 0.000 2.518 190 N HA 0.274 5.014 4.740 0.001 0.000 0.266 190 N C -0.396 175.080 175.510 -0.057 0.000 1.196 190 N CA 0.176 53.206 53.050 -0.033 0.000 0.947 190 N CB 0.414 38.870 38.487 -0.052 0.000 1.098 190 N HN 0.526 nan 8.380 nan 0.000 0.450 191 I N 2.287 122.834 120.570 -0.038 0.000 2.365 191 I HA 0.240 4.410 4.170 0.001 0.000 0.291 191 I C 0.564 176.625 176.117 -0.092 0.000 1.004 191 I CA -0.454 60.821 61.300 -0.043 0.000 1.311 191 I CB 0.678 38.688 38.000 0.016 0.000 1.401 191 I HN 0.098 nan 8.210 nan 0.000 0.491 192 R N 6.906 127.308 120.500 -0.163 0.000 2.393 192 R HA 0.542 4.883 4.340 0.001 0.000 0.315 192 R C -0.780 175.508 176.300 -0.019 0.000 0.952 192 R CA -0.851 55.137 56.100 -0.188 0.000 0.842 192 R CB 1.876 31.803 30.300 -0.622 0.000 1.163 192 R HN 0.574 nan 8.270 nan 0.000 0.450 193 I N 5.443 126.066 120.570 0.088 0.000 2.416 193 I HA 0.215 4.385 4.170 0.001 0.000 0.288 193 I C 1.041 177.315 176.117 0.261 0.000 1.051 193 I CA -0.251 61.161 61.300 0.187 0.000 1.375 193 I CB 0.515 38.709 38.000 0.322 0.000 1.407 193 I HN 0.455 nan 8.210 nan 0.000 0.516 194 I N 2.315 123.030 120.570 0.242 0.000 2.607 194 I HA 0.550 4.720 4.170 0.001 0.000 0.305 194 I C -0.165 176.133 176.117 0.302 0.000 0.995 194 I CA -0.481 60.971 61.300 0.254 0.000 1.148 194 I CB 1.591 39.710 38.000 0.198 0.000 1.323 194 I HN 0.530 nan 8.210 nan 0.000 0.461 195 D N 1.217 121.737 120.400 0.200 0.000 3.006 195 D HA -0.213 4.427 4.640 0.001 0.000 0.205 195 D C -0.257 175.857 176.300 -0.309 0.000 1.075 195 D CA 0.898 54.928 54.000 0.050 0.000 1.000 195 D CB -1.511 39.357 40.800 0.114 0.000 1.097 195 D HN 0.516 nan 8.370 nan 0.000 0.426 196 F N 0.828 120.647 119.950 -0.217 0.000 2.623 196 F HA 0.294 4.821 4.527 0.000 0.000 0.383 196 F C 2.086 177.822 175.800 -0.107 0.000 1.077 196 F CA 2.376 60.254 58.000 -0.204 0.000 1.268 196 F CB 0.517 39.551 39.000 0.057 0.000 1.053 196 F HN 0.207 nan 8.300 nan 0.000 0.571 197 G N 3.308 112.182 108.800 0.123 0.000 2.234 197 G HA2 -0.330 3.630 3.960 0.001 0.000 0.260 197 G HA3 -0.330 3.630 3.960 0.001 0.000 0.260 197 G C 1.164 176.136 174.900 0.120 0.000 0.987 197 G CA 0.463 45.652 45.100 0.148 0.000 0.625 197 G HN 0.624 nan 8.290 nan 0.000 0.532 198 L N 1.564 122.824 121.223 0.062 0.000 2.093 198 L HA -0.067 4.274 4.340 0.001 0.000 0.208 198 L C 3.153 180.022 176.870 -0.001 0.000 1.085 198 L CA 2.194 57.084 54.840 0.083 0.000 0.755 198 L CB -0.651 41.445 42.059 0.061 0.000 0.904 198 L HN 0.567 nan 8.230 nan 0.000 0.435 199 S N -1.727 114.007 115.700 0.055 0.000 2.447 199 S HA -0.141 4.329 4.470 0.001 0.000 0.233 199 S C 1.820 176.417 174.600 -0.006 0.000 1.006 199 S CA 1.393 59.657 58.200 0.107 0.000 0.957 199 S CB -0.663 62.633 63.200 0.160 0.000 0.773 199 S HN 0.350 nan 8.310 nan 0.000 0.507 200 T N 1.284 115.776 114.554 -0.103 0.000 2.915 200 T HA -0.044 4.307 4.350 0.001 0.000 0.269 200 T C 1.236 175.592 174.700 -0.574 0.000 1.071 200 T CA 1.372 63.280 62.100 -0.321 0.000 1.132 200 T CB -0.316 68.282 68.868 -0.451 0.000 0.878 200 T HN 0.659 nan 8.240 nan 0.000 0.479 201 H N -1.608 117.269 119.070 -0.321 0.000 3.046 201 H HA 0.323 4.880 4.556 0.001 0.000 0.262 201 H C -0.525 174.259 175.328 -0.908 0.000 1.044 201 H CA -0.015 55.645 56.048 -0.647 0.000 1.209 201 H CB 0.670 29.886 29.762 -0.909 0.000 1.507 201 H HN 0.294 nan 8.280 nan 0.000 0.507 202 F N 1.411 121.236 119.950 -0.208 0.000 2.556 202 F HA 0.293 4.820 4.527 0.001 0.000 0.314 202 F C 0.269 176.023 175.800 -0.078 0.000 1.106 202 F CA -0.987 56.852 58.000 -0.269 0.000 0.911 202 F CB 1.964 40.517 39.000 -0.744 0.000 1.190 202 F HN -0.207 nan 8.300 nan 0.000 0.448 203 E N 1.679 122.033 120.200 0.256 0.000 2.289 203 E HA 0.551 4.901 4.350 0.001 0.000 0.278 203 E C -0.376 176.469 176.600 0.410 0.000 1.032 203 E CA -0.617 55.939 56.400 0.261 0.000 0.854 203 E CB 1.332 31.132 29.700 0.166 0.000 1.046 203 E HN 0.680 nan 8.360 nan 0.000 0.409 204 A N 2.740 125.773 122.820 0.355 0.000 2.425 204 A HA 0.204 4.524 4.320 0.001 0.000 0.249 204 A C 0.288 177.942 177.584 0.117 0.000 1.084 204 A CA -0.489 51.687 52.037 0.231 0.000 0.781 204 A CB 0.311 19.372 19.000 0.102 0.000 1.019 204 A HN 0.639 nan 8.150 nan 0.000 0.490 205 S N 1.473 117.200 115.700 0.044 0.000 2.592 205 S HA 0.307 4.777 4.470 0.001 0.000 0.271 205 S C 0.264 174.870 174.600 0.011 0.000 1.326 205 S CA -0.398 57.821 58.200 0.032 0.000 1.024 205 S CB 0.980 64.186 63.200 0.010 0.000 0.921 205 S HN 0.613 nan 8.310 nan 0.000 0.527 206 K N 0.285 120.696 120.400 0.018 0.000 2.372 206 K HA 0.151 4.472 4.320 0.001 0.000 0.200 206 K C -0.186 176.419 176.600 0.009 0.000 1.022 206 K CA -0.041 56.253 56.287 0.013 0.000 1.125 206 K CB 0.184 32.695 32.500 0.018 0.000 0.855 206 K HN 0.512 nan 8.250 nan 0.000 0.524 207 K N 0.911 121.314 120.400 0.005 0.000 2.368 207 K HA 0.046 4.366 4.320 0.001 0.000 0.282 207 K C 0.823 177.425 176.600 0.004 0.000 1.035 207 K CA -0.262 56.028 56.287 0.006 0.000 0.973 207 K CB 0.782 33.284 32.500 0.004 0.000 0.957 207 K HN -0.093 nan 8.250 nan 0.000 0.474 208 M N 4.176 123.784 119.600 0.013 0.000 2.159 208 M HA -0.177 4.303 4.480 0.001 0.000 0.263 208 M C 1.610 177.919 176.300 0.015 0.000 1.063 208 M CA 1.797 57.108 55.300 0.017 0.000 1.110 208 M CB -0.249 32.371 32.600 0.033 0.000 1.374 208 M HN 0.564 nan 8.290 nan 0.000 0.411 209 K N -1.250 119.159 120.400 0.016 0.000 2.160 209 K HA -0.188 4.132 4.320 0.001 0.000 0.206 209 K C 0.995 177.592 176.600 -0.004 0.000 1.047 209 K CA 1.900 58.195 56.287 0.013 0.000 0.930 209 K CB -0.696 31.813 32.500 0.015 0.000 0.720 209 K HN 0.326 nan 8.250 nan 0.000 0.450 210 D N 1.247 121.636 120.400 -0.019 0.000 2.333 210 D HA -0.043 4.597 4.640 0.001 0.000 0.208 210 D C 0.823 177.089 176.300 -0.057 0.000 0.984 210 D CA 0.938 54.908 54.000 -0.050 0.000 0.873 210 D CB 0.296 41.055 40.800 -0.069 0.000 0.935 210 D HN 0.602 nan 8.370 nan 0.000 0.521 211 K N 0.250 120.632 120.400 -0.030 0.000 2.646 211 K HA 0.185 4.505 4.320 0.001 0.000 0.206 211 K C 0.094 176.695 176.600 0.002 0.000 1.069 211 K CA -0.459 55.814 56.287 -0.024 0.000 1.067 211 K CB 0.847 33.331 32.500 -0.027 0.000 0.807 211 K HN -0.173 nan 8.250 nan 0.000 0.482 212 I N 2.317 122.896 120.570 0.016 0.000 2.533 212 I HA 0.050 4.221 4.170 0.001 0.000 0.284 212 I C 1.369 177.544 176.117 0.097 0.000 1.109 212 I CA 1.506 62.831 61.300 0.042 0.000 1.412 212 I CB 0.159 38.181 38.000 0.037 0.000 1.396 212 I HN 0.779 nan 8.210 nan 0.000 0.543 213 G N 4.735 113.621 108.800 0.142 0.000 2.234 213 G HA2 -0.380 3.581 3.960 0.001 0.000 0.260 213 G HA3 -0.380 3.581 3.960 0.001 0.000 0.260 213 G C 1.063 176.157 174.900 0.323 0.000 0.987 213 G CA 0.895 46.218 45.100 0.372 0.000 0.625 213 G HN 0.658 nan 8.290 nan 0.000 0.532 214 T N -1.256 113.381 114.554 0.138 0.000 2.759 214 T HA 0.194 4.545 4.350 0.001 0.000 0.269 214 T C 2.513 177.246 174.700 0.055 0.000 1.042 214 T CA 2.299 64.481 62.100 0.137 0.000 1.140 214 T CB -0.519 68.370 68.868 0.036 0.000 0.864 214 T HN 1.508 nan 8.240 nan 0.000 0.455 215 A N 0.604 123.336 122.820 -0.147 0.000 1.972 215 A HA 0.034 4.354 4.320 0.001 0.000 0.219 215 A C 2.077 179.521 177.584 -0.233 0.000 1.169 215 A CA 1.186 53.086 52.037 -0.230 0.000 0.635 215 A CB -1.092 17.714 19.000 -0.323 0.000 0.810 215 A HN 0.645 nan 8.150 nan 0.000 0.446 216 Y N -1.874 118.333 120.300 -0.155 0.000 2.293 216 Y HA -0.165 4.385 4.550 0.001 0.000 0.291 216 Y C 1.774 177.444 175.900 -0.384 0.000 1.137 216 Y CA 1.510 59.382 58.100 -0.380 0.000 1.202 216 Y CB -0.540 37.461 38.460 -0.765 0.000 0.990 216 Y HN 0.478 nan 8.280 nan 0.000 0.537 217 Y N -1.400 119.052 120.300 0.254 0.000 2.442 217 Y HA 0.248 4.798 4.550 0.000 0.000 0.250 217 Y C 0.769 176.785 175.900 0.192 0.000 1.113 217 Y CA -1.184 57.047 58.100 0.219 0.000 1.273 217 Y CB 0.240 38.779 38.460 0.132 0.000 1.138 217 Y HN -0.078 nan 8.280 nan 0.000 0.522 218 I N 1.528 122.194 120.570 0.159 0.000 2.529 218 I HA 0.368 4.539 4.170 0.001 0.000 0.284 218 I C 0.423 176.390 176.117 -0.250 0.000 1.082 218 I CA -0.567 60.714 61.300 -0.031 0.000 1.406 218 I CB 0.578 38.509 38.000 -0.115 0.000 1.405 218 I HN 0.127 nan 8.210 nan 0.000 0.548 219 A N 8.884 131.440 122.820 -0.439 0.000 2.425 219 A HA 0.367 4.688 4.320 0.001 0.000 0.249 219 A C -1.786 175.250 177.584 -0.914 0.000 1.084 219 A CA -1.143 50.280 52.037 -1.024 0.000 0.781 219 A CB -0.127 18.487 19.000 -0.645 0.000 1.019 219 A HN 0.672 nan 8.150 nan 0.000 0.490 220 P HA -0.193 nan 4.420 nan 0.000 0.216 220 P C 1.221 178.118 177.300 -0.671 0.000 1.150 220 P CA 1.575 64.153 63.100 -0.870 0.000 0.837 220 P CB 0.088 31.211 31.700 -0.962 0.000 0.786 221 E N 0.011 119.866 120.200 -0.576 0.000 2.274 221 E HA -0.070 4.281 4.350 0.001 0.000 0.194 221 E C 1.728 178.227 176.600 -0.167 0.000 0.996 221 E CA 0.944 57.176 56.400 -0.281 0.000 0.840 221 E CB -1.210 28.366 29.700 -0.207 0.000 0.772 221 E HN 0.091 nan 8.360 nan 0.000 0.491 222 V N 1.903 121.641 119.914 -0.295 0.000 2.358 222 V HA -0.211 3.909 4.120 0.001 0.000 0.246 222 V C 2.646 178.604 176.094 -0.226 0.000 1.047 222 V CA 1.275 63.387 62.300 -0.314 0.000 1.035 222 V CB -0.542 30.975 31.823 -0.511 0.000 0.658 222 V HN 0.206 nan 8.190 nan 0.000 0.452 223 L N -0.477 120.556 121.223 -0.317 0.000 2.079 223 L HA -0.240 4.101 4.340 0.001 0.000 0.210 223 L C 2.316 179.095 176.870 -0.151 0.000 1.081 223 L CA 2.004 56.671 54.840 -0.288 0.000 0.752 223 L CB -0.745 41.038 42.059 -0.460 0.000 0.896 223 L HN 0.474 nan 8.230 nan 0.000 0.433 224 H N -1.660 117.370 119.070 -0.068 0.000 2.563 224 H HA 0.116 4.672 4.556 0.001 0.000 0.264 224 H C 1.692 177.021 175.328 0.003 0.000 0.957 224 H CA 0.283 56.313 56.048 -0.029 0.000 1.173 224 H CB 0.619 30.359 29.762 -0.037 0.000 1.420 224 H HN 0.464 nan 8.280 nan 0.000 0.551 225 G N 0.465 109.350 108.800 0.142 0.000 2.339 225 G HA2 -0.248 3.713 3.960 0.001 0.000 0.209 225 G HA3 -0.248 3.713 3.960 0.001 0.000 0.209 225 G C 0.467 175.454 174.900 0.144 0.000 1.015 225 G CA 0.064 45.253 45.100 0.149 0.000 0.635 225 G HN 0.289 nan 8.290 nan 0.000 0.499 226 T N 2.150 116.762 114.554 0.097 0.000 2.762 226 T HA 0.616 4.966 4.350 0.001 0.000 0.303 226 T C -0.532 174.208 174.700 0.068 0.000 0.977 226 T CA 0.347 62.454 62.100 0.010 0.000 0.961 226 T CB 0.325 69.188 68.868 -0.009 0.000 0.944 226 T HN 0.842 nan 8.240 nan 0.000 0.481 227 Y N 1.086 121.347 120.300 -0.066 0.000 2.588 227 Y HA 0.783 5.333 4.550 0.000 0.000 0.343 227 Y C -0.817 175.042 175.900 -0.069 0.000 1.065 227 Y CA -1.560 56.492 58.100 -0.080 0.000 1.038 227 Y CB 1.373 39.778 38.460 -0.093 0.000 1.297 227 Y HN 0.544 nan 8.280 nan 0.000 0.467 228 D N -0.928 119.519 120.400 0.079 0.000 2.867 228 D HA 0.152 4.792 4.640 0.001 0.000 0.308 228 D C 0.769 177.090 176.300 0.035 0.000 1.202 228 D CA -0.311 53.684 54.000 -0.009 0.000 1.035 228 D CB 0.034 40.799 40.800 -0.058 0.000 1.427 228 D HN 0.599 nan 8.370 nan 0.000 0.570 229 E N 0.390 120.529 120.200 -0.101 0.000 2.267 229 E HA -0.222 4.129 4.350 0.001 0.000 0.197 229 E C 0.994 177.544 176.600 -0.083 0.000 0.998 229 E CA 1.008 57.232 56.400 -0.294 0.000 0.830 229 E CB -0.297 28.897 29.700 -0.844 0.000 0.751 229 E HN 0.331 nan 8.360 nan 0.000 0.491 230 K N 0.937 121.345 120.400 0.014 0.000 2.281 230 K HA -0.106 4.214 4.320 0.001 0.000 0.203 230 K C 2.389 179.075 176.600 0.144 0.000 1.046 230 K CA 1.184 57.535 56.287 0.106 0.000 0.938 230 K CB -1.042 31.506 32.500 0.080 0.000 0.737 230 K HN 0.544 nan 8.250 nan 0.000 0.458 231 C N 0.699 120.061 119.300 0.104 0.000 2.410 231 C HA -0.054 4.406 4.460 0.001 0.000 0.281 231 C C 1.826 176.912 174.990 0.160 0.000 1.318 231 C CA 0.428 59.493 59.018 0.078 0.000 1.776 231 C CB -0.630 27.096 27.740 -0.023 0.000 1.942 231 C HN 0.292 nan 8.230 nan 0.000 0.508 232 D N 1.213 121.736 120.400 0.206 0.000 2.224 232 D HA -0.020 4.621 4.640 0.001 0.000 0.205 232 D C 2.393 178.824 176.300 0.218 0.000 0.965 232 D CA 1.052 55.184 54.000 0.219 0.000 0.852 232 D CB -0.150 40.863 40.800 0.354 0.000 0.947 232 D HN 0.489 nan 8.370 nan 0.000 0.494 233 V N 0.896 120.963 119.914 0.254 0.000 2.358 233 V HA -0.171 3.950 4.120 0.001 0.000 0.246 233 V C 2.195 178.403 176.094 0.190 0.000 1.047 233 V CA 1.087 63.507 62.300 0.200 0.000 1.035 233 V CB -0.438 31.504 31.823 0.198 0.000 0.658 233 V HN 0.372 nan 8.190 nan 0.000 0.452 234 W N 1.440 122.766 121.300 0.043 0.000 2.333 234 W HA -0.217 4.443 4.660 0.001 0.000 0.316 234 W C 2.525 179.069 176.519 0.041 0.000 1.215 234 W CA 2.248 59.604 57.345 0.018 0.000 1.278 234 W CB -0.613 28.828 29.460 -0.033 0.000 1.154 234 W HN 0.341 nan 8.180 nan 0.000 0.486 235 S N 0.602 116.523 115.700 0.367 0.000 2.370 235 S HA -0.212 4.258 4.470 0.001 0.000 0.226 235 S C 1.662 176.342 174.600 0.133 0.000 1.033 235 S CA 2.353 60.714 58.200 0.268 0.000 1.011 235 S CB -0.900 62.402 63.200 0.171 0.000 0.852 235 S HN 0.296 nan 8.310 nan 0.000 0.457 236 T N 1.547 116.154 114.554 0.088 0.000 2.788 236 T HA -0.039 4.311 4.350 0.001 0.000 0.268 236 T C 2.077 176.806 174.700 0.048 0.000 1.044 236 T CA 1.274 63.415 62.100 0.067 0.000 1.139 236 T CB -0.784 68.129 68.868 0.076 0.000 0.867 236 T HN 0.564 nan 8.240 nan 0.000 0.454 237 G N 0.962 109.746 108.800 -0.027 0.000 2.422 237 G HA2 -0.145 3.815 3.960 0.001 0.000 0.218 237 G HA3 -0.145 3.815 3.960 0.001 0.000 0.218 237 G C 1.676 176.502 174.900 -0.124 0.000 1.146 237 G CA 0.672 45.703 45.100 -0.115 0.000 0.769 237 G HN 0.436 nan 8.290 nan 0.000 0.547 238 V N 1.169 120.997 119.914 -0.143 0.000 2.358 238 V HA -0.129 3.992 4.120 0.001 0.000 0.246 238 V C 2.776 178.968 176.094 0.165 0.000 1.047 238 V CA 1.419 63.688 62.300 -0.052 0.000 1.035 238 V CB -0.346 31.513 31.823 0.060 0.000 0.658 238 V HN 0.395 nan 8.190 nan 0.000 0.452 239 I N -0.426 120.285 120.570 0.235 0.000 2.226 239 I HA -0.242 3.928 4.170 0.001 0.000 0.245 239 I C 2.401 178.668 176.117 0.250 0.000 1.100 239 I CA 1.334 62.804 61.300 0.283 0.000 1.374 239 I CB -0.377 37.727 38.000 0.174 0.000 1.057 239 I HN 0.329 nan 8.210 nan 0.000 0.413 240 L N 0.358 121.688 121.223 0.178 0.000 2.027 240 L HA -0.258 4.083 4.340 0.001 0.000 0.206 240 L C 2.484 179.453 176.870 0.166 0.000 1.074 240 L CA 1.856 56.788 54.840 0.152 0.000 0.745 240 L CB -1.124 40.977 42.059 0.071 0.000 0.898 240 L HN 0.211 nan 8.230 nan 0.000 0.433 241 Y N 0.007 120.347 120.300 0.067 0.000 2.102 241 Y HA -0.323 4.227 4.550 0.001 0.000 0.280 241 Y C 2.394 178.347 175.900 0.089 0.000 1.178 241 Y CA 2.390 60.597 58.100 0.177 0.000 1.146 241 Y CB -0.177 38.297 38.460 0.024 0.000 0.968 241 Y HN 0.253 nan 8.280 nan 0.000 0.504 242 I N -0.464 120.263 120.570 0.261 0.000 2.315 242 I HA -0.323 3.847 4.170 0.001 0.000 0.248 242 I C 2.172 178.245 176.117 -0.073 0.000 1.117 242 I CA 1.043 62.380 61.300 0.060 0.000 1.404 242 I CB -0.354 37.691 38.000 0.075 0.000 1.071 242 I HN 0.268 nan 8.210 nan 0.000 0.419 243 L N 0.030 121.261 121.223 0.014 0.000 2.131 243 L HA -0.199 4.141 4.340 0.001 0.000 0.210 243 L C 2.275 179.147 176.870 0.003 0.000 1.092 243 L CA 1.318 56.158 54.840 0.000 0.000 0.759 243 L CB -0.330 41.858 42.059 0.215 0.000 0.903 243 L HN 0.296 nan 8.230 nan 0.000 0.435 244 L N -1.472 119.675 121.223 -0.127 0.000 2.477 244 L HA 0.009 4.349 4.340 0.001 0.000 0.220 244 L C 2.196 178.646 176.870 -0.699 0.000 1.106 244 L CA 0.764 55.407 54.840 -0.328 0.000 0.851 244 L CB 0.042 41.881 42.059 -0.367 0.000 0.994 244 L HN 0.307 nan 8.230 nan 0.000 0.462 245 S N -2.363 112.914 115.700 -0.704 0.000 2.631 245 S HA 0.241 4.712 4.470 0.001 0.000 0.246 245 S C 1.469 175.827 174.600 -0.402 0.000 1.068 245 S CA 0.472 58.207 58.200 -0.775 0.000 0.995 245 S CB 1.094 63.700 63.200 -0.991 0.000 0.944 245 S HN 0.335 nan 8.310 nan 0.000 0.529 246 G N 0.541 109.156 108.800 -0.309 0.000 2.184 246 G HA2 -0.243 3.718 3.960 0.001 0.000 0.264 246 G HA3 -0.243 3.718 3.960 0.001 0.000 0.264 246 G C 0.087 174.832 174.900 -0.258 0.000 0.975 246 G CA 0.083 45.026 45.100 -0.261 0.000 0.642 246 G HN 0.781 nan 8.290 nan 0.000 0.536 247 C N 0.988 120.164 119.300 -0.206 0.000 2.547 247 C HA 0.660 5.120 4.460 0.001 0.000 0.313 247 C C -2.233 172.674 174.990 -0.138 0.000 1.191 247 C CA -1.511 57.397 59.018 -0.183 0.000 1.474 247 C CB 2.116 29.841 27.740 -0.026 0.000 2.081 247 C HN 0.267 nan 8.230 nan 0.000 0.476 248 P HA 0.165 nan 4.420 nan 0.000 0.271 248 P C -1.835 175.261 177.300 -0.339 0.000 1.216 248 P CA -0.814 62.070 63.100 -0.360 0.000 0.776 248 P CB 0.340 31.759 31.700 -0.469 0.000 0.881 249 P HA -0.088 nan 4.420 nan 0.000 0.217 249 P C -0.236 176.470 177.300 -0.990 0.000 1.150 249 P CA 1.446 63.719 63.100 -1.377 0.000 0.832 249 P CB 0.050 30.419 31.700 -2.219 0.000 0.787 250 F N 0.279 120.100 119.950 -0.215 0.000 2.347 250 F HA 0.489 5.016 4.527 0.001 0.000 0.366 250 F C 0.655 176.482 175.800 0.046 0.000 1.107 250 F CA -0.922 57.046 58.000 -0.053 0.000 1.058 250 F CB 0.430 39.425 39.000 -0.009 0.000 1.236 250 F HN -0.181 nan 8.300 nan 0.000 0.456 251 N N 1.289 120.093 118.700 0.173 0.000 2.405 251 N HA 0.856 5.597 4.740 0.001 0.000 0.285 251 N C -0.625 174.984 175.510 0.164 0.000 1.262 251 N CA -0.538 52.636 53.050 0.208 0.000 0.773 251 N CB 2.499 41.064 38.487 0.130 0.000 1.490 251 N HN 0.769 nan 8.380 nan 0.000 0.486 252 G N -1.152 107.759 108.800 0.185 0.000 2.368 252 G HA2 0.496 4.457 3.960 0.001 0.000 0.293 252 G HA3 0.496 4.457 3.960 0.001 0.000 0.293 252 G C -0.612 174.375 174.900 0.146 0.000 1.467 252 G CA 0.047 45.225 45.100 0.130 0.000 0.804 252 G HN 0.574 nan 8.290 nan 0.000 0.535 253 A N -0.396 122.501 122.820 0.128 0.000 2.208 253 A HA 0.486 4.806 4.320 0.001 0.000 0.209 253 A C 0.883 178.553 177.584 0.143 0.000 1.161 253 A CA 1.677 53.800 52.037 0.143 0.000 0.782 253 A CB -0.687 18.398 19.000 0.142 0.000 0.816 253 A HN 1.741 nan 8.150 nan 0.000 0.477 254 N N -3.263 115.507 118.700 0.117 0.000 3.227 254 N HA 0.070 4.810 4.740 0.001 0.000 0.241 254 N C 0.088 175.632 175.510 0.058 0.000 1.480 254 N CA -0.100 53.013 53.050 0.105 0.000 0.886 254 N CB 0.155 38.722 38.487 0.132 0.000 1.406 254 N HN -0.056 nan 8.380 nan 0.000 0.514 255 E N -0.902 119.325 120.200 0.046 0.000 2.058 255 E HA -0.278 4.072 4.350 0.001 0.000 0.194 255 E C 0.818 177.443 176.600 0.042 0.000 0.997 255 E CA 1.389 57.790 56.400 0.002 0.000 0.801 255 E CB -0.201 29.510 29.700 0.018 0.000 0.746 255 E HN 0.544 nan 8.360 nan 0.000 0.450 256 Y N 2.001 122.291 120.300 -0.017 0.000 2.165 256 Y HA -0.240 4.311 4.550 0.001 0.000 0.286 256 Y C 1.854 177.752 175.900 -0.004 0.000 1.155 256 Y CA 2.131 60.224 58.100 -0.011 0.000 1.164 256 Y CB -0.298 38.164 38.460 0.004 0.000 0.978 256 Y HN 0.121 nan 8.280 nan 0.000 0.513 257 D N -0.070 120.333 120.400 0.005 0.000 2.117 257 D HA -0.190 4.450 4.640 0.001 0.000 0.197 257 D C 2.322 178.571 176.300 -0.085 0.000 0.987 257 D CA 1.828 55.796 54.000 -0.053 0.000 0.829 257 D CB -0.387 40.444 40.800 0.052 0.000 0.961 257 D HN 0.434 nan 8.370 nan 0.000 0.460 258 I N 0.436 120.967 120.570 -0.064 0.000 2.163 258 I HA -0.220 3.951 4.170 0.001 0.000 0.240 258 I C 2.413 178.462 176.117 -0.113 0.000 1.081 258 I CA 0.693 61.959 61.300 -0.058 0.000 1.353 258 I CB -0.211 37.699 38.000 -0.151 0.000 1.054 258 I HN -0.034 nan 8.210 nan 0.000 0.407 259 L N 0.603 121.717 121.223 -0.181 0.000 2.079 259 L HA -0.249 4.091 4.340 0.001 0.000 0.210 259 L C 2.608 179.316 176.870 -0.270 0.000 1.081 259 L CA 1.455 56.162 54.840 -0.222 0.000 0.752 259 L CB -0.629 41.315 42.059 -0.192 0.000 0.896 259 L HN 0.271 nan 8.230 nan 0.000 0.433 260 K N 0.451 120.635 120.400 -0.360 0.000 2.097 260 K HA -0.167 4.153 4.320 0.001 0.000 0.205 260 K C 2.117 178.627 176.600 -0.151 0.000 1.050 260 K CA 1.171 57.260 56.287 -0.329 0.000 0.938 260 K CB 0.152 32.383 32.500 -0.448 0.000 0.718 260 K HN 0.228 nan 8.250 nan 0.000 0.442 261 K N 0.086 120.437 120.400 -0.082 0.000 2.103 261 K HA -0.057 4.263 4.320 0.001 0.000 0.204 261 K C 2.004 178.598 176.600 -0.010 0.000 1.052 261 K CA 0.976 57.295 56.287 0.054 0.000 0.945 261 K CB 0.072 32.676 32.500 0.174 0.000 0.722 261 K HN -0.012 nan 8.250 nan 0.000 0.443 262 V N 1.876 121.659 119.914 -0.218 0.000 2.295 262 V HA -0.238 3.882 4.120 0.001 0.000 0.246 262 V C 2.355 178.236 176.094 -0.355 0.000 1.049 262 V CA 1.749 63.704 62.300 -0.575 0.000 1.024 262 V CB -0.374 31.173 31.823 -0.459 0.000 0.648 262 V HN 0.395 nan 8.190 nan 0.000 0.447 263 E N 0.236 120.299 120.200 -0.229 0.000 2.077 263 E HA -0.293 4.057 4.350 0.001 0.000 0.193 263 E C 2.321 178.950 176.600 0.048 0.000 0.989 263 E CA 1.579 57.913 56.400 -0.110 0.000 0.800 263 E CB -0.061 29.573 29.700 -0.110 0.000 0.746 263 E HN 0.551 nan 8.360 nan 0.000 0.452 264 K N -0.724 119.672 120.400 -0.007 0.000 2.211 264 K HA -0.111 4.210 4.320 0.001 0.000 0.203 264 K C 1.212 177.813 176.600 0.003 0.000 1.050 264 K CA 1.089 57.364 56.287 -0.020 0.000 0.945 264 K CB -0.093 32.408 32.500 0.003 0.000 0.732 264 K HN 0.309 nan 8.250 nan 0.000 0.451 265 G N 1.300 110.189 108.800 0.147 0.000 2.162 265 G HA2 -0.294 3.667 3.960 0.001 0.000 0.260 265 G HA3 -0.294 3.667 3.960 0.001 0.000 0.260 265 G C -0.321 174.935 174.900 0.594 0.000 0.976 265 G CA 0.525 45.870 45.100 0.408 0.000 0.655 265 G HN 0.332 nan 8.290 nan 0.000 0.533 266 K N -0.039 120.624 120.400 0.438 0.000 2.183 266 K HA 0.635 4.956 4.320 0.001 0.000 0.274 266 K C -0.181 176.600 176.600 0.301 0.000 1.009 266 K CA -0.673 55.773 56.287 0.265 0.000 0.888 266 K CB 0.867 33.410 32.500 0.071 0.000 1.078 266 K HN 0.555 nan 8.250 nan 0.000 0.459 267 Y N -1.493 118.735 120.300 -0.119 0.000 2.638 267 Y HA 0.576 5.127 4.550 0.001 0.000 0.335 267 Y C -0.738 174.897 175.900 -0.442 0.000 1.155 267 Y CA -1.147 56.700 58.100 -0.421 0.000 1.046 267 Y CB 1.441 39.358 38.460 -0.905 0.000 1.303 267 Y HN 0.570 nan 8.280 nan 0.000 0.460 268 T N -1.757 112.490 114.554 -0.512 0.000 2.865 268 T HA 0.551 4.902 4.350 0.001 0.000 0.294 268 T C -1.123 173.195 174.700 -0.638 0.000 1.119 268 T CA -0.723 61.018 62.100 -0.598 0.000 1.007 268 T CB 1.267 69.964 68.868 -0.285 0.000 1.225 268 T HN 0.529 nan 8.240 nan 0.000 0.515 269 F N 0.551 120.284 119.950 -0.363 0.000 2.819 269 F HA 0.394 4.922 4.527 0.001 0.000 0.294 269 F C 2.055 177.754 175.800 -0.168 0.000 1.166 269 F CA -0.864 56.730 58.000 -0.676 0.000 1.374 269 F CB -0.156 38.309 39.000 -0.890 0.000 0.956 269 F HN 0.846 nan 8.300 nan 0.000 0.509 270 E N 0.918 121.152 120.200 0.057 0.000 2.160 270 E HA -0.161 4.189 4.350 0.001 0.000 0.195 270 E C 0.749 177.455 176.600 0.178 0.000 0.991 270 E CA 0.535 56.993 56.400 0.096 0.000 0.810 270 E CB 0.130 29.855 29.700 0.042 0.000 0.742 270 E HN 0.382 nan 8.360 nan 0.000 0.466 271 L N 1.173 122.578 121.223 0.303 0.000 2.483 271 L HA 0.011 4.351 4.340 0.001 0.000 0.275 271 L C -1.447 175.538 176.870 0.191 0.000 1.220 271 L CA -1.220 53.762 54.840 0.236 0.000 0.833 271 L CB 0.106 42.303 42.059 0.231 0.000 1.102 271 L HN 0.025 nan 8.230 nan 0.000 0.490 272 P HA -0.210 nan 4.420 nan 0.000 0.215 272 P C 1.103 178.412 177.300 0.015 0.000 1.153 272 P CA 1.003 64.131 63.100 0.046 0.000 0.853 272 P CB -0.052 31.654 31.700 0.010 0.000 0.788 273 Q N -1.299 118.461 119.800 -0.067 0.000 2.500 273 Q HA -0.147 4.193 4.340 0.001 0.000 0.213 273 Q C 1.433 177.286 176.000 -0.246 0.000 0.974 273 Q CA 1.106 56.802 55.803 -0.178 0.000 0.918 273 Q CB -1.215 27.361 28.738 -0.270 0.000 0.980 273 Q HN 0.385 nan 8.270 nan 0.000 0.505 274 W N 1.391 122.651 121.300 -0.067 0.000 2.699 274 W HA 0.051 4.711 4.660 0.000 0.000 0.249 274 W C 1.887 178.349 176.519 -0.096 0.000 1.280 274 W CA 0.040 57.329 57.345 -0.094 0.000 1.345 274 W CB 0.416 29.856 29.460 -0.035 0.000 1.128 274 W HN -0.000 nan 8.180 nan 0.000 0.642 275 K N 0.710 121.180 120.400 0.118 0.000 2.148 275 K HA -0.084 4.236 4.320 0.001 0.000 0.204 275 K C 1.347 177.960 176.600 0.022 0.000 1.050 275 K CA 1.066 57.388 56.287 0.058 0.000 0.942 275 K CB -0.440 32.082 32.500 0.037 0.000 0.724 275 K HN 0.248 nan 8.250 nan 0.000 0.446 276 K N 1.088 121.481 120.400 -0.012 0.000 2.505 276 K HA 0.075 4.396 4.320 0.001 0.000 0.192 276 K C 0.106 176.691 176.600 -0.025 0.000 1.025 276 K CA 0.117 56.388 56.287 -0.026 0.000 1.086 276 K CB 0.316 32.784 32.500 -0.053 0.000 0.840 276 K HN -0.126 nan 8.250 nan 0.000 0.514 277 V N 1.793 121.701 119.914 -0.010 0.000 2.513 277 V HA 0.078 4.199 4.120 0.001 0.000 0.299 277 V C 0.369 176.457 176.094 -0.009 0.000 1.035 277 V CA -1.041 61.251 62.300 -0.013 0.000 0.889 277 V CB 1.745 33.577 31.823 0.015 0.000 0.988 277 V HN 0.247 nan 8.190 nan 0.000 0.440 278 S N 2.138 117.832 115.700 -0.010 0.000 2.568 278 S HA 0.068 4.538 4.470 0.001 0.000 0.282 278 S C 0.962 175.515 174.600 -0.079 0.000 1.338 278 S CA 0.051 58.261 58.200 0.017 0.000 1.045 278 S CB 0.974 64.256 63.200 0.136 0.000 0.873 278 S HN 0.788 nan 8.310 nan 0.000 0.516 279 E N 2.007 122.175 120.200 -0.054 0.000 2.160 279 E HA -0.112 4.239 4.350 0.001 0.000 0.195 279 E C 2.043 178.585 176.600 -0.097 0.000 0.991 279 E CA 1.569 57.904 56.400 -0.107 0.000 0.810 279 E CB -0.593 29.077 29.700 -0.050 0.000 0.742 279 E HN 0.728 nan 8.360 nan 0.000 0.466 280 S N -0.746 114.959 115.700 0.009 0.000 2.348 280 S HA -0.178 4.292 4.470 0.001 0.000 0.221 280 S C 2.043 176.593 174.600 -0.084 0.000 1.033 280 S CA 1.479 59.746 58.200 0.113 0.000 1.010 280 S CB -0.546 62.841 63.200 0.312 0.000 0.891 280 S HN 0.433 nan 8.310 nan 0.000 0.442 281 A N 1.619 124.133 122.820 -0.511 0.000 1.892 281 A HA -0.194 4.126 4.320 0.001 0.000 0.218 281 A C 2.123 179.294 177.584 -0.689 0.000 1.188 281 A CA 1.978 53.281 52.037 -1.223 0.000 0.631 281 A CB -0.706 17.572 19.000 -1.204 0.000 0.822 281 A HN 0.665 nan 8.150 nan 0.000 0.447 282 K N -0.819 119.255 120.400 -0.545 0.000 2.057 282 K HA -0.193 4.128 4.320 0.001 0.000 0.207 282 K C 1.854 178.257 176.600 -0.329 0.000 1.049 282 K CA 1.537 57.417 56.287 -0.678 0.000 0.931 282 K CB -0.300 31.566 32.500 -1.057 0.000 0.714 282 K HN 0.631 nan 8.250 nan 0.000 0.440 283 D N 1.068 121.346 120.400 -0.204 0.000 2.104 283 D HA -0.193 4.448 4.640 0.001 0.000 0.194 283 D C 1.838 178.072 176.300 -0.110 0.000 0.994 283 D CA 0.777 54.747 54.000 -0.049 0.000 0.830 283 D CB 0.035 40.891 40.800 0.094 0.000 0.959 283 D HN 0.008 nan 8.370 nan 0.000 0.452 284 L N 0.338 121.358 121.223 -0.338 0.000 2.046 284 L HA -0.011 4.330 4.340 0.001 0.000 0.208 284 L C 2.068 178.786 176.870 -0.254 0.000 1.077 284 L CA 1.435 55.942 54.840 -0.555 0.000 0.747 284 L CB -0.522 41.100 42.059 -0.728 0.000 0.896 284 L HN 0.235 nan 8.230 nan 0.000 0.432 285 I N -0.802 119.650 120.570 -0.197 0.000 2.286 285 I HA -0.308 3.862 4.170 0.001 0.000 0.248 285 I C 2.600 178.738 176.117 0.035 0.000 1.115 285 I CA 1.160 62.426 61.300 -0.058 0.000 1.392 285 I CB -0.316 37.733 38.000 0.081 0.000 1.065 285 I HN 0.262 nan 8.210 nan 0.000 0.418 286 R N 0.726 121.296 120.500 0.116 0.000 2.092 286 R HA -0.143 4.198 4.340 0.001 0.000 0.231 286 R C 2.276 178.643 176.300 0.111 0.000 1.119 286 R CA 1.236 57.447 56.100 0.184 0.000 0.970 286 R CB -0.162 30.236 30.300 0.164 0.000 0.864 286 R HN 0.338 nan 8.270 nan 0.000 0.440 287 K N 0.099 120.527 120.400 0.048 0.000 2.103 287 K HA -0.027 4.294 4.320 0.001 0.000 0.204 287 K C 2.060 178.690 176.600 0.049 0.000 1.052 287 K CA 1.289 57.608 56.287 0.054 0.000 0.945 287 K CB 0.045 32.565 32.500 0.034 0.000 0.722 287 K HN 0.128 nan 8.250 nan 0.000 0.443 288 M N 0.344 119.940 119.600 -0.007 0.000 2.319 288 M HA -0.056 4.424 4.480 0.001 0.000 0.265 288 M C 1.246 177.512 176.300 -0.056 0.000 1.068 288 M CA 1.194 56.488 55.300 -0.011 0.000 1.118 288 M CB 0.092 32.661 32.600 -0.052 0.000 1.395 288 M HN 0.056 nan 8.290 nan 0.000 0.435 289 L N 0.048 121.180 121.223 -0.152 0.000 2.791 289 L HA 0.155 4.496 4.340 0.001 0.000 0.239 289 L C 0.124 177.080 176.870 0.144 0.000 1.203 289 L CA -0.368 54.250 54.840 -0.370 0.000 1.002 289 L CB -0.480 41.112 42.059 -0.778 0.000 1.295 289 L HN 0.042 nan 8.230 nan 0.000 0.504 290 T N -0.778 113.919 114.554 0.239 0.000 2.888 290 T HA -0.062 4.288 4.350 0.001 0.000 0.301 290 T C 0.758 175.708 174.700 0.417 0.000 1.001 290 T CA 0.199 62.485 62.100 0.309 0.000 1.147 290 T CB 1.086 70.079 68.868 0.207 0.000 0.931 290 T HN 0.142 nan 8.240 nan 0.000 0.541 291 Y N 4.045 124.523 120.300 0.297 0.000 2.133 291 Y HA 0.039 4.590 4.550 0.000 0.000 0.287 291 Y C 1.181 177.152 175.900 0.119 0.000 1.134 291 Y CA 1.091 59.336 58.100 0.243 0.000 1.133 291 Y CB 0.130 38.691 38.460 0.167 0.000 0.987 291 Y HN 0.363 nan 8.280 nan 0.000 0.502 292 V N 3.307 123.359 119.914 0.230 0.000 2.470 292 V HA 0.036 4.157 4.120 0.001 0.000 0.276 292 V C -1.504 174.631 176.094 0.068 0.000 1.040 292 V CA -0.931 61.440 62.300 0.117 0.000 1.008 292 V CB 0.981 32.894 31.823 0.151 0.000 0.990 292 V HN 0.213 nan 8.190 nan 0.000 0.477 293 P HA -0.127 nan 4.420 nan 0.000 0.218 293 P C 1.797 179.130 177.300 0.056 0.000 1.149 293 P CA 1.456 64.575 63.100 0.031 0.000 0.817 293 P CB 0.149 31.846 31.700 -0.004 0.000 0.785 294 S N -1.539 114.190 115.700 0.049 0.000 2.447 294 S HA -0.094 4.377 4.470 0.001 0.000 0.233 294 S C 1.779 176.418 174.600 0.065 0.000 1.006 294 S CA 1.046 59.276 58.200 0.050 0.000 0.957 294 S CB -1.190 62.033 63.200 0.040 0.000 0.773 294 S HN 0.089 nan 8.310 nan 0.000 0.507 295 M N 0.392 120.040 119.600 0.080 0.000 2.514 295 M HA 0.211 4.691 4.480 0.001 0.000 0.258 295 M C 1.249 177.613 176.300 0.106 0.000 1.119 295 M CA 0.137 55.493 55.300 0.092 0.000 1.111 295 M CB -0.037 32.625 32.600 0.103 0.000 1.390 295 M HN 0.192 nan 8.290 nan 0.000 0.475 296 R N 2.084 122.653 120.500 0.115 0.000 2.491 296 R HA 0.254 4.594 4.340 0.001 0.000 0.283 296 R C -0.301 176.068 176.300 0.115 0.000 1.072 296 R CA -0.164 56.014 56.100 0.130 0.000 1.048 296 R CB 0.614 31.007 30.300 0.154 0.000 0.983 296 R HN 0.187 nan 8.270 nan 0.000 0.450 297 I N 3.053 123.691 120.570 0.112 0.000 2.872 297 I HA -0.099 4.071 4.170 0.001 0.000 0.291 297 I C 0.342 176.531 176.117 0.121 0.000 1.216 297 I CA 0.529 61.894 61.300 0.109 0.000 1.424 297 I CB 0.763 38.824 38.000 0.101 0.000 1.351 297 I HN 0.833 nan 8.210 nan 0.000 0.592 298 S N 5.613 121.386 115.700 0.122 0.000 2.614 298 S HA 0.363 4.833 4.470 0.001 0.000 0.265 298 S C 1.039 175.726 174.600 0.145 0.000 1.303 298 S CA -0.219 58.066 58.200 0.142 0.000 1.000 298 S CB 1.615 64.892 63.200 0.128 0.000 0.935 298 S HN 0.804 nan 8.310 nan 0.000 0.551 299 A N 1.484 124.407 122.820 0.171 0.000 1.940 299 A HA -0.112 4.208 4.320 0.001 0.000 0.219 299 A C 2.243 179.889 177.584 0.103 0.000 1.176 299 A CA 1.852 53.962 52.037 0.121 0.000 0.631 299 A CB -0.914 18.119 19.000 0.055 0.000 0.814 299 A HN 0.886 nan 8.150 nan 0.000 0.446 300 R N 0.427 120.992 120.500 0.109 0.000 2.070 300 R HA -0.128 4.212 4.340 0.001 0.000 0.233 300 R C 1.274 177.637 176.300 0.105 0.000 1.137 300 R CA 2.163 58.322 56.100 0.097 0.000 0.945 300 R CB -0.664 29.692 30.300 0.093 0.000 0.845 300 R HN 0.454 nan 8.270 nan 0.000 0.430 301 D N -0.178 120.289 120.400 0.112 0.000 2.264 301 D HA -0.021 4.619 4.640 0.001 0.000 0.208 301 D C 1.531 177.923 176.300 0.153 0.000 0.966 301 D CA 1.314 55.388 54.000 0.123 0.000 0.864 301 D CB -0.153 40.718 40.800 0.118 0.000 0.933 301 D HN 0.406 nan 8.370 nan 0.000 0.499 302 A N 0.504 123.410 122.820 0.143 0.000 1.929 302 A HA -0.052 4.269 4.320 0.001 0.000 0.216 302 A C 2.272 179.969 177.584 0.188 0.000 1.176 302 A CA 0.499 52.630 52.037 0.157 0.000 0.628 302 A CB -0.667 18.402 19.000 0.115 0.000 0.816 302 A HN 0.190 nan 8.150 nan 0.000 0.444 303 L N -0.314 120.998 121.223 0.148 0.000 2.081 303 L HA -0.216 4.125 4.340 0.001 0.000 0.212 303 L C 1.452 178.405 176.870 0.138 0.000 1.080 303 L CA 1.468 56.388 54.840 0.134 0.000 0.754 303 L CB -0.403 41.718 42.059 0.103 0.000 0.893 303 L HN 0.331 nan 8.230 nan 0.000 0.433 304 D N -2.058 118.426 120.400 0.140 0.000 2.363 304 D HA -0.077 4.563 4.640 0.001 0.000 0.220 304 D C 0.852 177.238 176.300 0.144 0.000 0.994 304 D CA 0.321 54.392 54.000 0.118 0.000 0.890 304 D CB -0.141 40.718 40.800 0.097 0.000 0.906 304 D HN 0.292 nan 8.370 nan 0.000 0.530 305 H N 1.546 120.685 119.070 0.116 0.000 2.897 305 H HA -0.045 4.512 4.556 0.001 0.000 0.347 305 H C 1.349 176.771 175.328 0.156 0.000 1.068 305 H CA 0.582 56.716 56.048 0.142 0.000 1.426 305 H CB 1.009 30.880 29.762 0.182 0.000 1.410 305 H HN 0.089 nan 8.280 nan 0.000 0.597 306 E N 3.750 123.736 120.200 -0.357 0.000 2.108 306 E HA -0.284 4.067 4.350 0.001 0.000 0.203 306 E C 1.693 178.380 176.600 0.144 0.000 1.022 306 E CA 1.937 58.257 56.400 -0.132 0.000 0.823 306 E CB -0.213 29.356 29.700 -0.217 0.000 0.744 306 E HN 0.780 nan 8.360 nan 0.000 0.456 307 W N 1.027 122.436 121.300 0.182 0.000 2.335 307 W HA -0.217 4.443 4.660 -0.000 0.000 0.311 307 W C 1.979 178.668 176.519 0.282 0.000 1.213 307 W CA 1.437 58.967 57.345 0.309 0.000 1.274 307 W CB -0.284 29.353 29.460 0.294 0.000 1.148 307 W HN 0.139 nan 8.180 nan 0.000 0.498 308 I N 0.558 121.288 120.570 0.267 0.000 2.202 308 I HA -0.300 3.870 4.170 0.001 0.000 0.242 308 I C 2.456 178.556 176.117 -0.028 0.000 1.091 308 I CA 1.520 62.833 61.300 0.022 0.000 1.368 308 I CB -1.641 36.455 38.000 0.160 0.000 1.058 308 I HN 0.153 nan 8.210 nan 0.000 0.410 309 Q N 0.278 120.099 119.800 0.035 0.000 2.045 309 Q HA -0.200 4.140 4.340 0.001 0.000 0.206 309 Q C 2.192 178.162 176.000 -0.051 0.000 0.991 309 Q CA 2.325 58.125 55.803 -0.004 0.000 0.851 309 Q CB -0.968 27.774 28.738 0.006 0.000 0.911 309 Q HN 0.479 nan 8.270 nan 0.000 0.418 310 T N 0.178 114.707 114.554 -0.041 0.000 2.777 310 T HA -0.106 4.244 4.350 0.001 0.000 0.266 310 T C 1.483 176.011 174.700 -0.285 0.000 1.040 310 T CA 1.169 63.191 62.100 -0.130 0.000 1.141 310 T CB -0.285 68.544 68.868 -0.065 0.000 0.868 310 T HN 0.303 nan 8.240 nan 0.000 0.444 311 Y N 1.231 121.323 120.300 -0.347 0.000 2.482 311 Y HA 0.116 4.666 4.550 0.000 0.000 0.270 311 Y C 2.405 178.097 175.900 -0.347 0.000 1.152 311 Y CA 0.411 58.259 58.100 -0.420 0.000 1.292 311 Y CB 0.182 38.186 38.460 -0.760 0.000 1.070 311 Y HN 0.252 nan 8.280 nan 0.000 0.528 312 T N -3.156 111.297 114.554 -0.169 0.000 3.134 312 T HA 0.200 4.550 4.350 0.001 0.000 0.260 312 T C 0.209 174.848 174.700 -0.101 0.000 1.027 312 T CA -0.521 61.500 62.100 -0.131 0.000 0.913 312 T CB -0.245 68.557 68.868 -0.111 0.000 1.046 312 T HN -0.055 nan 8.240 nan 0.000 0.553 313 K N 2.111 122.442 120.400 -0.116 0.000 2.472 313 K HA 0.097 4.418 4.320 0.001 0.000 0.280 313 K C 0.956 177.504 176.600 -0.086 0.000 1.028 313 K CA -0.014 56.215 56.287 -0.097 0.000 1.045 313 K CB 0.826 33.256 32.500 -0.116 0.000 0.902 313 K HN 0.363 nan 8.250 nan 0.000 0.478 314 E N 1.763 121.924 120.200 -0.065 0.000 2.086 314 E HA -0.235 4.116 4.350 0.001 0.000 0.205 314 E C 0.072 176.635 176.600 -0.061 0.000 1.027 314 E CA 1.312 57.678 56.400 -0.056 0.000 0.830 314 E CB 0.132 29.805 29.700 -0.044 0.000 0.751 314 E HN 0.431 nan 8.360 nan 0.000 0.456 315 Q N 0.749 120.511 119.800 -0.064 0.000 2.323 315 Q HA 0.182 4.522 4.340 0.001 0.000 0.257 315 Q C -0.298 175.650 176.000 -0.087 0.000 1.022 315 Q CA 0.231 55.994 55.803 -0.066 0.000 0.919 315 Q CB 0.568 29.271 28.738 -0.059 0.000 1.220 315 Q HN 0.289 nan 8.270 nan 0.000 0.427 316 I N 2.297 122.815 120.570 -0.086 0.000 2.483 316 I HA -0.094 4.076 4.170 0.001 0.000 0.291 316 I C 1.099 177.152 176.117 -0.107 0.000 1.112 316 I CA 0.330 61.565 61.300 -0.107 0.000 1.350 316 I CB 0.153 38.099 38.000 -0.090 0.000 1.419 316 I HN 0.539 nan 8.210 nan 0.000 0.523 317 S N 4.435 120.053 115.700 -0.136 0.000 2.539 317 S HA 0.236 4.706 4.470 0.001 0.000 0.221 317 S C 0.322 174.839 174.600 -0.137 0.000 0.987 317 S CA -0.444 57.684 58.200 -0.121 0.000 0.929 317 S CB 0.105 63.234 63.200 -0.117 0.000 0.832 317 S HN 0.325 nan 8.310 nan 0.000 0.492 318 V N 1.674 121.478 119.914 -0.183 0.000 3.019 318 V HA 0.428 4.549 4.120 0.001 0.000 0.317 318 V C -0.384 175.645 176.094 -0.110 0.000 1.094 318 V CA -1.258 60.927 62.300 -0.192 0.000 1.000 318 V CB 1.206 32.786 31.823 -0.405 0.000 1.060 318 V HN 0.183 nan 8.190 nan 0.000 0.443 319 D N 1.739 122.107 120.400 -0.054 0.000 2.455 319 D HA 0.233 4.874 4.640 0.001 0.000 0.241 319 D C 0.105 176.419 176.300 0.023 0.000 1.138 319 D CA 0.375 54.370 54.000 -0.009 0.000 0.877 319 D CB 1.543 42.351 40.800 0.014 0.000 1.187 319 D HN 0.552 nan 8.370 nan 0.000 0.451 320 V N 0.061 119.979 119.914 0.007 0.000 2.468 320 V HA 0.274 4.394 4.120 0.001 0.000 0.256 320 V C -2.415 173.678 176.094 -0.001 0.000 0.998 320 V CA -1.484 60.822 62.300 0.010 0.000 1.114 320 V CB 0.496 32.308 31.823 -0.019 0.000 1.378 320 V HN 0.306 nan 8.190 nan 0.000 0.573 321 P HA 0.156 nan 4.420 nan 0.000 0.267 321 P C 0.357 177.652 177.300 -0.010 0.000 1.205 321 P CA 0.771 63.869 63.100 -0.003 0.000 0.765 321 P CB 1.317 33.017 31.700 0.000 0.000 0.828 322 S N 3.105 118.800 115.700 -0.010 0.000 2.525 322 S HA 0.075 4.545 4.470 0.001 0.000 0.285 322 S C 0.540 175.137 174.600 -0.004 0.000 1.283 322 S CA -0.543 57.657 58.200 -0.001 0.000 1.072 322 S CB -0.494 62.709 63.200 0.006 0.000 0.867 322 S HN 0.304 nan 8.310 nan 0.000 0.492 323 L N 5.773 127.003 121.223 0.012 0.000 2.384 323 L HA 0.195 4.535 4.340 0.001 0.000 0.258 323 L C 0.908 177.763 176.870 -0.026 0.000 1.266 323 L CA -0.482 54.347 54.840 -0.018 0.000 1.162 323 L CB -0.130 41.924 42.059 -0.007 0.000 1.375 323 L HN 0.675 nan 8.230 nan 0.000 0.420 324 D N 0.655 121.031 120.400 -0.040 0.000 2.117 324 D HA -0.181 4.459 4.640 0.001 0.000 0.198 324 D C 1.742 177.997 176.300 -0.074 0.000 0.982 324 D CA 1.147 55.120 54.000 -0.046 0.000 0.828 324 D CB 0.227 41.004 40.800 -0.040 0.000 0.967 324 D HN 0.528 nan 8.370 nan 0.000 0.464 325 N N 0.657 119.304 118.700 -0.089 0.000 2.188 325 N HA -0.126 4.615 4.740 0.001 0.000 0.184 325 N C 1.783 177.210 175.510 -0.139 0.000 1.018 325 N CA 0.982 53.968 53.050 -0.107 0.000 0.858 325 N CB 0.193 38.616 38.487 -0.106 0.000 0.989 325 N HN -0.008 nan 8.380 nan 0.000 0.426 326 A N 1.384 124.104 122.820 -0.166 0.000 1.908 326 A HA -0.113 4.208 4.320 0.001 0.000 0.218 326 A C 2.179 179.642 177.584 -0.203 0.000 1.181 326 A CA 1.010 52.923 52.037 -0.207 0.000 0.627 326 A CB -0.576 18.294 19.000 -0.217 0.000 0.818 326 A HN 0.346 nan 8.150 nan 0.000 0.445 327 I N -0.399 120.071 120.570 -0.166 0.000 2.202 327 I HA -0.238 3.932 4.170 0.001 0.000 0.242 327 I C 2.350 178.369 176.117 -0.165 0.000 1.091 327 I CA 1.012 62.195 61.300 -0.196 0.000 1.368 327 I CB -0.377 37.544 38.000 -0.131 0.000 1.058 327 I HN 0.270 nan 8.210 nan 0.000 0.410 328 L N 0.514 121.660 121.223 -0.129 0.000 2.042 328 L HA -0.236 4.105 4.340 0.001 0.000 0.210 328 L C 2.334 179.134 176.870 -0.117 0.000 1.076 328 L CA 1.323 56.093 54.840 -0.117 0.000 0.749 328 L CB -0.788 41.211 42.059 -0.101 0.000 0.893 328 L HN 0.358 nan 8.230 nan 0.000 0.432 329 N N 0.163 118.790 118.700 -0.122 0.000 2.171 329 N HA -0.139 4.601 4.740 0.001 0.000 0.184 329 N C 1.928 177.392 175.510 -0.077 0.000 1.021 329 N CA 1.203 54.192 53.050 -0.101 0.000 0.854 329 N CB -0.096 38.316 38.487 -0.126 0.000 0.994 329 N HN 0.309 nan 8.380 nan 0.000 0.426 330 I N 1.293 121.778 120.570 -0.141 0.000 2.286 330 I HA -0.219 3.952 4.170 0.001 0.000 0.248 330 I C 2.332 178.423 176.117 -0.043 0.000 1.115 330 I CA 0.961 62.186 61.300 -0.126 0.000 1.392 330 I CB 0.106 37.894 38.000 -0.354 0.000 1.065 330 I HN 0.054 nan 8.210 nan 0.000 0.418 331 R N -0.078 120.362 120.500 -0.101 0.000 2.091 331 R HA -0.263 4.077 4.340 0.001 0.000 0.238 331 R C 2.290 178.549 176.300 -0.067 0.000 1.136 331 R CA 1.959 58.007 56.100 -0.088 0.000 0.959 331 R CB -0.439 29.791 30.300 -0.116 0.000 0.856 331 R HN 0.495 nan 8.270 nan 0.000 0.437 332 Q N -0.090 119.667 119.800 -0.072 0.000 2.124 332 Q HA -0.210 4.130 4.340 0.001 0.000 0.202 332 Q C 1.813 177.839 176.000 0.043 0.000 0.977 332 Q CA 1.563 57.316 55.803 -0.083 0.000 0.850 332 Q CB -0.121 28.565 28.738 -0.087 0.000 0.901 332 Q HN 0.291 nan 8.270 nan 0.000 0.429 333 F N 1.025 120.941 119.950 -0.057 0.000 2.084 333 F HA -0.143 4.385 4.527 0.001 0.000 0.296 333 F C 2.354 178.179 175.800 0.041 0.000 1.111 333 F CA 1.867 59.858 58.000 -0.016 0.000 1.224 333 F CB -0.437 38.538 39.000 -0.040 0.000 0.991 333 F HN 0.134 nan 8.300 nan 0.000 0.471 334 Q N 0.518 120.323 119.800 0.008 0.000 2.050 334 Q HA -0.035 4.306 4.340 0.001 0.000 0.202 334 Q C 2.415 178.381 176.000 -0.058 0.000 0.980 334 Q CA 2.133 57.909 55.803 -0.044 0.000 0.840 334 Q CB -1.193 27.594 28.738 0.082 0.000 0.898 334 Q HN 0.467 nan 8.270 nan 0.000 0.424 335 G N -1.106 107.689 108.800 -0.008 0.000 2.440 335 G HA2 -0.268 3.693 3.960 0.001 0.000 0.218 335 G HA3 -0.268 3.693 3.960 0.001 0.000 0.218 335 G C 1.416 176.415 174.900 0.165 0.000 1.154 335 G CA 1.385 46.525 45.100 0.066 0.000 0.767 335 G HN 0.460 nan 8.290 nan 0.000 0.552 336 T N 1.005 115.657 114.554 0.164 0.000 2.708 336 T HA -0.106 4.244 4.350 0.001 0.000 0.266 336 T C 2.480 177.131 174.700 -0.081 0.000 1.037 336 T CA 1.382 63.540 62.100 0.098 0.000 1.146 336 T CB -0.195 68.749 68.868 0.126 0.000 0.865 336 T HN 0.173 nan 8.240 nan 0.000 0.435 337 Q N 1.035 120.725 119.800 -0.182 0.000 2.135 337 Q HA -0.041 4.299 4.340 0.001 0.000 0.204 337 Q C 2.350 178.298 176.000 -0.086 0.000 0.981 337 Q CA 1.100 56.797 55.803 -0.177 0.000 0.856 337 Q CB -0.254 28.287 28.738 -0.328 0.000 0.902 337 Q HN 0.389 nan 8.270 nan 0.000 0.425 338 K N 0.490 120.852 120.400 -0.063 0.000 2.103 338 K HA -0.048 4.272 4.320 0.001 0.000 0.204 338 K C 2.133 178.726 176.600 -0.013 0.000 1.052 338 K CA 0.323 56.598 56.287 -0.021 0.000 0.945 338 K CB -0.420 32.080 32.500 -0.000 0.000 0.722 338 K HN 0.128 nan 8.250 nan 0.000 0.443 339 L N 1.254 122.451 121.223 -0.044 0.000 2.056 339 L HA -0.034 4.307 4.340 0.001 0.000 0.207 339 L C 2.175 179.010 176.870 -0.058 0.000 1.078 339 L CA 1.788 56.582 54.840 -0.077 0.000 0.749 339 L CB -0.863 41.033 42.059 -0.272 0.000 0.901 339 L HN 0.119 nan 8.230 nan 0.000 0.433 340 A N -0.898 121.864 122.820 -0.097 0.000 1.883 340 A HA -0.317 4.004 4.320 0.001 0.000 0.217 340 A C 2.325 179.914 177.584 0.009 0.000 1.186 340 A CA 1.990 53.994 52.037 -0.055 0.000 0.624 340 A CB -0.792 18.175 19.000 -0.056 0.000 0.822 340 A HN 0.667 nan 8.150 nan 0.000 0.444 341 Q N -0.523 119.282 119.800 0.009 0.000 2.050 341 Q HA -0.136 4.205 4.340 0.001 0.000 0.202 341 Q C 2.172 178.204 176.000 0.053 0.000 0.980 341 Q CA 1.849 57.669 55.803 0.028 0.000 0.840 341 Q CB -0.399 28.349 28.738 0.016 0.000 0.898 341 Q HN 0.578 nan 8.270 nan 0.000 0.424 342 A N 0.817 123.674 122.820 0.061 0.000 1.908 342 A HA -0.147 4.173 4.320 0.001 0.000 0.218 342 A C 2.303 179.971 177.584 0.140 0.000 1.181 342 A CA 1.792 53.888 52.037 0.098 0.000 0.627 342 A CB -1.072 17.986 19.000 0.098 0.000 0.818 342 A HN 0.599 nan 8.150 nan 0.000 0.445 343 A N -0.112 122.786 122.820 0.131 0.000 1.858 343 A HA -0.078 4.242 4.320 0.001 0.000 0.216 343 A C 2.181 179.853 177.584 0.148 0.000 1.190 343 A CA 1.563 53.682 52.037 0.137 0.000 0.617 343 A CB -0.691 18.370 19.000 0.102 0.000 0.827 343 A HN 0.480 nan 8.150 nan 0.000 0.443 344 L N -0.709 120.579 121.223 0.108 0.000 2.042 344 L HA -0.194 4.146 4.340 0.001 0.000 0.210 344 L C 2.572 179.490 176.870 0.081 0.000 1.076 344 L CA 1.142 56.035 54.840 0.088 0.000 0.749 344 L CB -0.595 41.503 42.059 0.065 0.000 0.893 344 L HN 0.375 nan 8.230 nan 0.000 0.432 345 L N -1.614 119.664 121.223 0.092 0.000 2.141 345 L HA -0.247 4.094 4.340 0.001 0.000 0.209 345 L C 2.611 179.545 176.870 0.107 0.000 1.094 345 L CA 1.102 55.992 54.840 0.083 0.000 0.763 345 L CB -0.578 41.531 42.059 0.082 0.000 0.908 345 L HN 0.231 nan 8.230 nan 0.000 0.437 346 Y N 0.458 120.775 120.300 0.027 0.000 2.200 346 Y HA -0.231 4.319 4.550 0.001 0.000 0.290 346 Y C 2.521 178.422 175.900 0.002 0.000 1.137 346 Y CA 1.523 59.635 58.100 0.021 0.000 1.163 346 Y CB -0.123 38.352 38.460 0.024 0.000 0.988 346 Y HN 0.027 nan 8.280 nan 0.000 0.518 347 M N -0.429 119.143 119.600 -0.047 0.000 2.099 347 M HA -0.112 4.368 4.480 0.001 0.000 0.262 347 M C 2.473 178.697 176.300 -0.128 0.000 1.067 347 M CA 1.647 56.864 55.300 -0.138 0.000 1.124 347 M CB -0.948 31.646 32.600 -0.009 0.000 1.353 347 M HN 0.443 nan 8.290 nan 0.000 0.410 348 G N -0.219 108.548 108.800 -0.056 0.000 2.469 348 G HA2 -0.221 3.739 3.960 0.001 0.000 0.219 348 G HA3 -0.221 3.739 3.960 0.001 0.000 0.219 348 G C 1.597 176.457 174.900 -0.067 0.000 1.150 348 G CA 1.393 46.467 45.100 -0.043 0.000 0.763 348 G HN 0.447 nan 8.290 nan 0.000 0.561 349 S N 0.267 115.915 115.700 -0.087 0.000 2.383 349 S HA -0.040 4.430 4.470 0.001 0.000 0.227 349 S C 2.173 176.691 174.600 -0.136 0.000 1.026 349 S CA 1.469 59.619 58.200 -0.084 0.000 0.981 349 S CB -0.113 63.056 63.200 -0.051 0.000 0.818 349 S HN 0.360 nan 8.310 nan 0.000 0.472 350 K N 1.717 121.966 120.400 -0.252 0.000 2.148 350 K HA 0.135 4.455 4.320 0.001 0.000 0.204 350 K C 1.720 178.236 176.600 -0.140 0.000 1.050 350 K CA 0.942 57.081 56.287 -0.246 0.000 0.942 350 K CB -0.465 31.799 32.500 -0.394 0.000 0.724 350 K HN 0.295 nan 8.250 nan 0.000 0.446 351 L N -0.249 120.905 121.223 -0.116 0.000 2.005 351 L HA -0.154 4.187 4.340 0.001 0.000 0.207 351 L C 2.156 178.994 176.870 -0.052 0.000 1.072 351 L CA 1.693 56.490 54.840 -0.072 0.000 0.744 351 L CB -0.734 41.291 42.059 -0.057 0.000 0.895 351 L HN 0.186 nan 8.230 nan 0.000 0.433 352 T N -0.710 113.817 114.554 -0.046 0.000 2.699 352 T HA -0.225 4.125 4.350 0.001 0.000 0.268 352 T C 2.070 176.756 174.700 -0.025 0.000 1.036 352 T CA 1.845 63.928 62.100 -0.027 0.000 1.147 352 T CB -0.313 68.545 68.868 -0.016 0.000 0.862 352 T HN 0.529 nan 8.240 nan 0.000 0.446 353 S N 1.013 116.694 115.700 -0.033 0.000 2.423 353 S HA -0.112 4.359 4.470 0.001 0.000 0.231 353 S C 2.027 176.611 174.600 -0.027 0.000 1.014 353 S CA 0.899 59.085 58.200 -0.023 0.000 0.965 353 S CB -0.381 62.803 63.200 -0.026 0.000 0.785 353 S HN 0.524 nan 8.310 nan 0.000 0.495 354 Q N 0.885 120.663 119.800 -0.037 0.000 2.046 354 Q HA -0.104 4.236 4.340 0.001 0.000 0.200 354 Q C 1.722 177.705 176.000 -0.028 0.000 0.975 354 Q CA 1.803 57.587 55.803 -0.032 0.000 0.836 354 Q CB -0.190 28.525 28.738 -0.038 0.000 0.896 354 Q HN 0.576 nan 8.270 nan 0.000 0.428 355 D N 0.722 121.104 120.400 -0.029 0.000 2.087 355 D HA -0.184 4.456 4.640 0.001 0.000 0.192 355 D C 1.640 177.919 176.300 -0.035 0.000 0.993 355 D CA 1.320 55.302 54.000 -0.029 0.000 0.828 355 D CB -0.264 40.522 40.800 -0.025 0.000 0.968 355 D HN 0.299 nan 8.370 nan 0.000 0.448 356 E N -0.092 120.088 120.200 -0.033 0.000 2.160 356 E HA -0.138 4.212 4.350 0.001 0.000 0.195 356 E C 2.039 178.601 176.600 -0.064 0.000 0.991 356 E CA 1.118 57.490 56.400 -0.047 0.000 0.810 356 E CB -0.098 29.586 29.700 -0.026 0.000 0.742 356 E HN 0.165 nan 8.360 nan 0.000 0.466 357 T N 0.872 115.403 114.554 -0.038 0.000 2.684 357 T HA -0.169 4.182 4.350 0.001 0.000 0.267 357 T C 1.680 176.366 174.700 -0.024 0.000 1.036 357 T CA 1.433 63.520 62.100 -0.023 0.000 1.148 357 T CB -0.040 68.827 68.868 -0.001 0.000 0.863 357 T HN 0.093 nan 8.240 nan 0.000 0.436 358 K N 0.622 121.005 120.400 -0.028 0.000 2.002 358 K HA -0.071 4.249 4.320 0.001 0.000 0.209 358 K C 2.499 179.067 176.600 -0.053 0.000 1.048 358 K CA 1.139 57.408 56.287 -0.029 0.000 0.930 358 K CB -0.056 32.427 32.500 -0.029 0.000 0.714 358 K HN 0.220 nan 8.250 nan 0.000 0.438 359 E N 0.927 121.083 120.200 -0.073 0.000 2.058 359 E HA -0.208 4.142 4.350 0.001 0.000 0.194 359 E C 2.071 178.567 176.600 -0.174 0.000 0.997 359 E CA 0.945 57.282 56.400 -0.103 0.000 0.801 359 E CB -0.321 29.321 29.700 -0.097 0.000 0.746 359 E HN 0.124 nan 8.360 nan 0.000 0.450 360 L N 1.262 122.353 121.223 -0.219 0.000 2.012 360 L HA -0.149 4.192 4.340 0.001 0.000 0.210 360 L C 2.216 178.856 176.870 -0.384 0.000 1.073 360 L CA 2.013 56.609 54.840 -0.406 0.000 0.748 360 L CB -1.077 40.773 42.059 -0.350 0.000 0.891 360 L HN 0.057 nan 8.230 nan 0.000 0.431 361 T N -0.131 114.369 114.554 -0.090 0.000 2.788 361 T HA -0.150 4.200 4.350 0.001 0.000 0.268 361 T C 1.914 176.625 174.700 0.017 0.000 1.044 361 T CA 1.282 63.436 62.100 0.091 0.000 1.139 361 T CB -0.548 68.418 68.868 0.164 0.000 0.867 361 T HN 0.521 nan 8.240 nan 0.000 0.454 362 A N 1.213 124.005 122.820 -0.046 0.000 1.877 362 A HA -0.046 4.275 4.320 0.001 0.000 0.216 362 A C 2.276 179.831 177.584 -0.050 0.000 1.186 362 A CA 1.316 53.336 52.037 -0.029 0.000 0.620 362 A CB -0.831 18.139 19.000 -0.050 0.000 0.822 362 A HN 0.493 nan 8.150 nan 0.000 0.443 363 I N -1.459 119.005 120.570 -0.177 0.000 2.099 363 I HA -0.291 3.880 4.170 0.001 0.000 0.239 363 I C 2.392 178.383 176.117 -0.210 0.000 1.066 363 I CA 1.762 62.925 61.300 -0.229 0.000 1.324 363 I CB -0.499 37.279 38.000 -0.371 0.000 1.037 363 I HN 0.392 nan 8.210 nan 0.000 0.401 364 F N -0.365 119.399 119.950 -0.309 0.000 2.161 364 F HA -0.315 4.212 4.527 0.001 0.000 0.300 364 F C 2.687 178.127 175.800 -0.601 0.000 1.089 364 F CA 1.468 59.102 58.000 -0.610 0.000 1.282 364 F CB -0.588 37.699 39.000 -1.187 0.000 1.010 364 F HN 0.183 nan 8.300 nan 0.000 0.485 365 H N 0.818 119.719 119.070 -0.281 0.000 2.290 365 H HA -0.150 4.406 4.556 0.001 0.000 0.298 365 H C 2.146 177.458 175.328 -0.027 0.000 1.087 365 H CA 2.041 58.057 56.048 -0.054 0.000 1.291 365 H CB -0.095 29.696 29.762 0.048 0.000 1.369 365 H HN 0.023 nan 8.280 nan 0.000 0.492 366 K N -0.269 120.130 120.400 -0.002 0.000 2.020 366 K HA -0.207 4.113 4.320 0.001 0.000 0.212 366 K C 2.309 178.863 176.600 -0.078 0.000 1.050 366 K CA 2.042 58.304 56.287 -0.042 0.000 0.929 366 K CB -0.206 32.287 32.500 -0.011 0.000 0.714 366 K HN 0.408 nan 8.250 nan 0.000 0.443 367 M N 0.836 120.398 119.600 -0.063 0.000 2.279 367 M HA -0.129 4.351 4.480 0.001 0.000 0.264 367 M C 0.616 176.880 176.300 -0.062 0.000 1.062 367 M CA 0.826 56.099 55.300 -0.045 0.000 1.099 367 M CB -0.257 32.341 32.600 -0.003 0.000 1.394 367 M HN -0.039 nan 8.290 nan 0.000 0.426 368 D N 1.214 121.557 120.400 -0.095 0.000 2.600 368 D HA 0.054 4.694 4.640 0.001 0.000 0.226 368 D C 0.636 176.875 176.300 -0.102 0.000 1.119 368 D CA 0.338 54.300 54.000 -0.064 0.000 1.051 368 D CB 0.296 41.113 40.800 0.028 0.000 1.106 368 D HN 0.120 nan 8.370 nan 0.000 0.491 369 K N 0.652 121.007 120.400 -0.075 0.000 2.148 369 K HA -0.069 4.252 4.320 0.001 0.000 0.204 369 K C 1.506 178.069 176.600 -0.061 0.000 1.050 369 K CA 0.950 57.195 56.287 -0.070 0.000 0.942 369 K CB 0.077 32.547 32.500 -0.050 0.000 0.724 369 K HN 0.297 nan 8.250 nan 0.000 0.446 370 N N -0.046 118.618 118.700 -0.059 0.000 2.166 370 N HA -0.094 4.647 4.740 0.001 0.000 0.186 370 N C 1.076 176.558 175.510 -0.046 0.000 1.019 370 N CA 1.210 54.225 53.050 -0.057 0.000 0.856 370 N CB -0.053 38.388 38.487 -0.077 0.000 0.993 370 N HN 0.326 nan 8.380 nan 0.000 0.426 371 G N 1.018 109.793 108.800 -0.042 0.000 2.153 371 G HA2 -0.278 3.682 3.960 0.001 0.000 0.252 371 G HA3 -0.278 3.682 3.960 0.001 0.000 0.252 371 G C 0.302 175.201 174.900 -0.002 0.000 0.994 371 G CA 0.762 45.850 45.100 -0.020 0.000 0.698 371 G HN 0.622 nan 8.290 nan 0.000 0.521 372 D N -0.739 119.651 120.400 -0.018 0.000 2.339 372 D HA 0.369 5.010 4.640 0.001 0.000 0.217 372 D C 1.839 178.115 176.300 -0.041 0.000 1.050 372 D CA 0.574 54.552 54.000 -0.036 0.000 0.856 372 D CB -0.554 40.206 40.800 -0.067 0.000 0.922 372 D HN 1.484 nan 8.370 nan 0.000 0.518 373 G N -0.078 108.721 108.800 -0.002 0.000 2.166 373 G HA2 -0.311 3.650 3.960 0.001 0.000 0.260 373 G HA3 -0.311 3.650 3.960 0.001 0.000 0.260 373 G C -0.082 174.753 174.900 -0.109 0.000 0.986 373 G CA 0.331 45.362 45.100 -0.116 0.000 0.683 373 G HN 0.496 nan 8.290 nan 0.000 0.527 374 Q N -0.779 119.021 119.800 -0.001 0.000 2.337 374 Q HA 0.793 5.133 4.340 0.001 0.000 0.266 374 Q C -0.178 175.847 176.000 0.042 0.000 1.023 374 Q CA -0.615 55.198 55.803 0.016 0.000 0.829 374 Q CB 2.255 30.992 28.738 -0.002 0.000 1.306 374 Q HN 0.341 nan 8.270 nan 0.000 0.449 375 L N 0.988 122.246 121.223 0.058 0.000 2.327 375 L HA 0.479 4.819 4.340 0.001 0.000 0.258 375 L C -0.548 176.389 176.870 0.112 0.000 1.024 375 L CA -1.115 53.744 54.840 0.031 0.000 0.825 375 L CB 1.939 43.914 42.059 -0.140 0.000 1.386 375 L HN 0.705 nan 8.230 nan 0.000 0.417 376 D N -0.586 119.886 120.400 0.120 0.000 2.432 376 D HA 0.186 4.826 4.640 0.001 0.000 0.258 376 D C 0.841 177.106 176.300 -0.059 0.000 1.146 376 D CA -0.683 53.342 54.000 0.042 0.000 1.015 376 D CB 0.842 41.671 40.800 0.049 0.000 1.107 376 D HN 0.456 nan 8.370 nan 0.000 0.529 377 R N -0.028 120.428 120.500 -0.073 0.000 2.113 377 R HA -0.241 4.099 4.340 0.001 0.000 0.244 377 R C 1.981 178.250 176.300 -0.052 0.000 1.142 377 R CA 2.116 58.175 56.100 -0.069 0.000 0.953 377 R CB -0.741 29.528 30.300 -0.051 0.000 0.860 377 R HN 0.568 nan 8.270 nan 0.000 0.438 378 A N 0.824 123.626 122.820 -0.030 0.000 1.865 378 A HA -0.228 4.092 4.320 0.001 0.000 0.217 378 A C 1.990 179.572 177.584 -0.004 0.000 1.191 378 A CA 1.900 53.932 52.037 -0.009 0.000 0.623 378 A CB -0.599 18.401 19.000 -0.000 0.000 0.826 378 A HN 0.578 nan 8.150 nan 0.000 0.444 379 E N -0.358 119.832 120.200 -0.016 0.000 2.077 379 E HA -0.138 4.212 4.350 0.001 0.000 0.193 379 E C 1.969 178.569 176.600 -0.001 0.000 0.989 379 E CA 1.142 57.537 56.400 -0.008 0.000 0.800 379 E CB -0.290 29.396 29.700 -0.024 0.000 0.746 379 E HN 0.640 nan 8.360 nan 0.000 0.452 380 L N 0.596 121.741 121.223 -0.130 0.000 2.046 380 L HA -0.194 4.147 4.340 0.001 0.000 0.208 380 L C 2.400 179.300 176.870 0.051 0.000 1.077 380 L CA 0.934 55.636 54.840 -0.230 0.000 0.747 380 L CB -0.353 41.314 42.059 -0.653 0.000 0.896 380 L HN 0.163 nan 8.230 nan 0.000 0.432 381 I N -0.539 120.058 120.570 0.044 0.000 2.179 381 I HA -0.280 3.891 4.170 0.001 0.000 0.242 381 I C 2.727 178.924 176.117 0.134 0.000 1.088 381 I CA 1.360 62.726 61.300 0.111 0.000 1.357 381 I CB -0.310 37.727 38.000 0.062 0.000 1.051 381 I HN 0.336 nan 8.210 nan 0.000 0.409 382 E N 1.007 121.264 120.200 0.095 0.000 2.077 382 E HA -0.193 4.158 4.350 0.001 0.000 0.193 382 E C 2.242 178.895 176.600 0.087 0.000 0.989 382 E CA 1.368 57.816 56.400 0.079 0.000 0.800 382 E CB -0.192 29.538 29.700 0.050 0.000 0.746 382 E HN 0.536 nan 8.360 nan 0.000 0.452 383 G N -0.161 108.716 108.800 0.128 0.000 2.440 383 G HA2 -0.297 3.663 3.960 0.001 0.000 0.218 383 G HA3 -0.297 3.663 3.960 0.001 0.000 0.218 383 G C 1.442 176.299 174.900 -0.071 0.000 1.154 383 G CA 0.898 46.001 45.100 0.005 0.000 0.767 383 G HN 0.365 nan 8.290 nan 0.000 0.552 384 Y N 0.904 121.221 120.300 0.029 0.000 2.263 384 Y HA 0.008 4.558 4.550 0.001 0.000 0.292 384 Y C 2.992 178.911 175.900 0.031 0.000 1.130 384 Y CA 1.305 59.441 58.100 0.060 0.000 1.179 384 Y CB 0.140 38.717 38.460 0.195 0.000 0.998 384 Y HN 0.108 nan 8.280 nan 0.000 0.532 385 K N -0.165 120.373 120.400 0.230 0.000 2.032 385 K HA -0.268 4.052 4.320 0.001 0.000 0.209 385 K C 1.906 178.553 176.600 0.079 0.000 1.048 385 K CA 1.765 58.130 56.287 0.130 0.000 0.927 385 K CB -0.207 32.346 32.500 0.087 0.000 0.712 385 K HN 0.147 nan 8.250 nan 0.000 0.441 386 E N 1.571 121.794 120.200 0.038 0.000 2.118 386 E HA -0.189 4.161 4.350 0.001 0.000 0.195 386 E C 1.807 178.393 176.600 -0.024 0.000 0.992 386 E CA 0.855 57.251 56.400 -0.007 0.000 0.804 386 E CB -0.284 29.390 29.700 -0.043 0.000 0.741 386 E HN 0.134 nan 8.360 nan 0.000 0.458 387 L N -0.280 120.917 121.223 -0.042 0.000 1.990 387 L HA -0.111 4.229 4.340 0.001 0.000 0.213 387 L C 1.026 177.899 176.870 0.005 0.000 1.072 387 L CA 1.586 56.392 54.840 -0.057 0.000 0.755 387 L CB -0.432 41.567 42.059 -0.100 0.000 0.889 387 L HN 0.182 nan 8.230 nan 0.000 0.432 405 H N 1.054 120.121 119.070 -0.005 0.000 2.421 405 H HA -0.020 4.537 4.556 0.001 0.000 0.298 405 H C 1.842 177.169 175.328 -0.001 0.000 1.087 405 H CA 2.213 58.260 56.048 -0.002 0.000 1.330 405 H CB 0.292 30.049 29.762 -0.009 0.000 1.388 405 H HN 0.135 nan 8.280 nan 0.000 0.526 406 E N 0.010 120.227 120.200 0.028 0.000 2.072 406 E HA -0.099 4.252 4.350 0.001 0.000 0.191 406 E C 2.302 178.892 176.600 -0.016 0.000 0.985 406 E CA 1.183 57.556 56.400 -0.044 0.000 0.801 406 E CB -0.368 29.269 29.700 -0.105 0.000 0.750 406 E HN 0.368 nan 8.360 nan 0.000 0.452 407 V N 1.445 121.409 119.914 0.083 0.000 2.287 407 V HA -0.272 3.848 4.120 0.001 0.000 0.248 407 V C 1.715 177.906 176.094 0.162 0.000 1.053 407 V CA 2.234 64.711 62.300 0.295 0.000 1.027 407 V CB -0.557 31.422 31.823 0.261 0.000 0.646 407 V HN 0.306 nan 8.190 nan 0.000 0.447 408 D N -0.792 119.613 120.400 0.009 0.000 2.178 408 D HA -0.135 4.505 4.640 0.001 0.000 0.201 408 D C 2.363 178.607 176.300 -0.095 0.000 0.980 408 D CA 0.845 54.812 54.000 -0.055 0.000 0.842 408 D CB -0.175 40.559 40.800 -0.108 0.000 0.948 408 D HN 0.399 nan 8.370 nan 0.000 0.472 409 Q N 0.246 119.945 119.800 -0.168 0.000 2.167 409 Q HA -0.051 4.289 4.340 0.001 0.000 0.202 409 Q C 2.465 178.441 176.000 -0.040 0.000 0.970 409 Q CA 0.438 56.164 55.803 -0.127 0.000 0.855 409 Q CB -0.233 28.408 28.738 -0.161 0.000 0.911 409 Q HN 0.247 nan 8.270 nan 0.000 0.438 410 V N 1.183 121.087 119.914 -0.016 0.000 2.283 410 V HA -0.219 3.901 4.120 0.001 0.000 0.243 410 V C 2.432 178.564 176.094 0.064 0.000 1.039 410 V CA 1.292 63.579 62.300 -0.021 0.000 1.016 410 V CB -0.677 31.049 31.823 -0.162 0.000 0.650 410 V HN 0.250 nan 8.190 nan 0.000 0.449 411 L N 0.158 121.458 121.223 0.128 0.000 2.127 411 L HA -0.206 4.135 4.340 0.001 0.000 0.211 411 L C 2.505 179.411 176.870 0.059 0.000 1.089 411 L CA 1.739 56.644 54.840 0.108 0.000 0.757 411 L CB -0.862 41.245 42.059 0.080 0.000 0.899 411 L HN 0.415 nan 8.230 nan 0.000 0.434 412 D N 0.668 121.090 120.400 0.037 0.000 2.126 412 D HA -0.247 4.394 4.640 0.001 0.000 0.190 412 D C 2.076 178.466 176.300 0.150 0.000 1.001 412 D CA 1.962 56.007 54.000 0.076 0.000 0.841 412 D CB 0.261 41.095 40.800 0.057 0.000 0.949 412 D HN 0.318 nan 8.370 nan 0.000 0.446 413 A N 0.054 122.931 122.820 0.094 0.000 1.872 413 A HA -0.044 4.276 4.320 0.001 0.000 0.214 413 A C 2.706 180.341 177.584 0.085 0.000 1.187 413 A CA 1.530 53.616 52.037 0.081 0.000 0.614 413 A CB -0.682 18.343 19.000 0.041 0.000 0.826 413 A HN 0.209 nan 8.150 nan 0.000 0.442 414 V N 0.161 120.125 119.914 0.083 0.000 2.244 414 V HA -0.081 4.040 4.120 0.001 0.000 0.244 414 V C 0.782 176.928 176.094 0.087 0.000 1.042 414 V CA 2.026 64.378 62.300 0.085 0.000 1.006 414 V CB -0.482 31.410 31.823 0.114 0.000 0.641 414 V HN 0.616 nan 8.190 nan 0.000 0.446 415 D N -1.758 118.694 120.400 0.088 0.000 2.389 415 D HA 0.196 4.837 4.640 0.001 0.000 0.256 415 D C 0.257 176.613 176.300 0.093 0.000 1.239 415 D CA -0.642 53.408 54.000 0.083 0.000 0.925 415 D CB 0.948 41.774 40.800 0.044 0.000 1.145 415 D HN 0.065 nan 8.370 nan 0.000 0.542 416 F N 2.900 122.853 119.950 0.005 0.000 2.095 416 F HA -0.158 4.370 4.527 0.001 0.000 0.298 416 F C 1.458 177.255 175.800 -0.005 0.000 1.104 416 F CA 1.646 59.646 58.000 0.001 0.000 1.232 416 F CB 0.369 39.369 39.000 0.001 0.000 0.987 416 F HN 0.297 nan 8.300 nan 0.000 0.475 417 D N 0.384 120.827 120.400 0.072 0.000 2.269 417 D HA -0.169 4.471 4.640 0.001 0.000 0.208 417 D C 1.020 177.261 176.300 -0.098 0.000 0.963 417 D CA 1.019 55.005 54.000 -0.024 0.000 0.864 417 D CB -0.282 40.556 40.800 0.063 0.000 0.936 417 D HN 0.244 nan 8.370 nan 0.000 0.505 418 K N 0.656 121.007 120.400 -0.080 0.000 3.150 418 K HA -0.207 4.113 4.320 0.001 0.000 0.267 418 K C 0.251 176.796 176.600 -0.092 0.000 1.028 418 K CA 0.063 56.296 56.287 -0.091 0.000 0.753 418 K CB -0.991 31.437 32.500 -0.120 0.000 1.288 418 K HN 0.029 nan 8.250 nan 0.000 0.473 419 N N -0.484 118.179 118.700 -0.061 0.000 2.244 419 N HA -0.054 4.686 4.740 0.001 0.000 0.183 419 N C 1.164 176.609 175.510 -0.108 0.000 1.016 419 N CA 1.627 54.642 53.050 -0.059 0.000 0.866 419 N CB 0.198 38.674 38.487 -0.019 0.000 0.980 419 N HN 0.659 nan 8.380 nan 0.000 0.430 420 G N -1.900 106.815 108.800 -0.141 0.000 3.319 420 G HA2 0.344 4.305 3.960 0.001 0.000 0.158 420 G HA3 0.344 4.305 3.960 0.001 0.000 0.158 420 G C -1.301 173.358 174.900 -0.402 0.000 1.205 420 G CA -0.458 44.464 45.100 -0.296 0.000 1.252 420 G HN 0.041 nan 8.290 nan 0.000 0.668 421 Y N 0.072 120.361 120.300 -0.018 0.000 2.432 421 Y HA 0.684 5.234 4.550 0.001 0.000 0.322 421 Y C 0.412 176.297 175.900 -0.024 0.000 1.246 421 Y CA -0.809 57.275 58.100 -0.028 0.000 1.268 421 Y CB 1.412 39.855 38.460 -0.028 0.000 1.276 421 Y HN 0.046 nan 8.280 nan 0.000 0.499 422 I N 1.554 122.194 120.570 0.117 0.000 2.378 422 I HA 0.151 4.321 4.170 0.001 0.000 0.291 422 I C -0.216 175.923 176.117 0.036 0.000 0.992 422 I CA -1.265 60.069 61.300 0.057 0.000 1.154 422 I CB 1.463 39.480 38.000 0.028 0.000 1.315 422 I HN 0.579 nan 8.210 nan 0.000 0.448 423 E N 5.822 126.035 120.200 0.021 0.000 2.406 423 E HA -0.115 4.236 4.350 0.001 0.000 0.247 423 E C 0.666 177.248 176.600 -0.030 0.000 1.160 423 E CA 0.134 56.505 56.400 -0.047 0.000 0.950 423 E CB 0.224 29.899 29.700 -0.042 0.000 0.993 423 E HN 0.532 nan 8.360 nan 0.000 0.472 424 Y N 2.595 122.849 120.300 -0.077 0.000 2.333 424 Y HA -0.248 4.302 4.550 0.001 0.000 0.290 424 Y C 2.020 177.974 175.900 0.090 0.000 1.144 424 Y CA 1.249 59.245 58.100 -0.173 0.000 1.228 424 Y CB -0.749 37.402 38.460 -0.514 0.000 0.985 424 Y HN 0.381 nan 8.280 nan 0.000 0.542 425 S N 0.308 115.933 115.700 -0.125 0.000 2.368 425 S HA -0.257 4.214 4.470 0.001 0.000 0.225 425 S C 1.676 176.344 174.600 0.113 0.000 1.030 425 S CA 1.406 59.626 58.200 0.032 0.000 0.999 425 S CB -0.755 62.367 63.200 -0.131 0.000 0.844 425 S HN 0.711 nan 8.310 nan 0.000 0.459 426 E N 0.223 120.467 120.200 0.074 0.000 2.153 426 E HA -0.056 4.294 4.350 0.001 0.000 0.194 426 E C 1.712 178.398 176.600 0.144 0.000 0.988 426 E CA 1.142 57.595 56.400 0.087 0.000 0.811 426 E CB -0.292 29.446 29.700 0.064 0.000 0.746 426 E HN 0.714 nan 8.360 nan 0.000 0.466 427 F N 1.052 121.049 119.950 0.078 0.000 2.163 427 F HA -0.184 4.344 4.527 0.001 0.000 0.297 427 F C 2.067 177.979 175.800 0.188 0.000 1.094 427 F CA 0.868 58.940 58.000 0.120 0.000 1.290 427 F CB -0.049 38.998 39.000 0.079 0.000 1.017 427 F HN -0.219 nan 8.300 nan 0.000 0.483 428 V N 0.402 120.575 119.914 0.432 0.000 2.255 428 V HA -0.366 3.754 4.120 0.001 0.000 0.247 428 V C 2.323 178.466 176.094 0.082 0.000 1.051 428 V CA 2.493 64.979 62.300 0.309 0.000 1.018 428 V CB -1.353 30.681 31.823 0.352 0.000 0.641 428 V HN 0.453 nan 8.190 nan 0.000 0.445 429 T N 0.275 114.873 114.554 0.072 0.000 2.607 429 T HA -0.231 4.120 4.350 0.001 0.000 0.267 429 T C 1.917 176.604 174.700 -0.022 0.000 1.049 429 T CA 2.019 64.135 62.100 0.026 0.000 1.162 429 T CB -0.512 68.375 68.868 0.031 0.000 0.863 429 T HN 0.275 nan 8.240 nan 0.000 0.424 430 V N 1.919 121.793 119.914 -0.065 0.000 2.287 430 V HA -0.206 3.915 4.120 0.001 0.000 0.248 430 V C 2.943 178.952 176.094 -0.142 0.000 1.053 430 V CA 1.742 63.981 62.300 -0.102 0.000 1.027 430 V CB -1.452 30.295 31.823 -0.127 0.000 0.646 430 V HN 0.590 nan 8.190 nan 0.000 0.447 431 A N -0.125 122.527 122.820 -0.280 0.000 1.884 431 A HA -0.285 4.035 4.320 0.001 0.000 0.219 431 A C 2.223 179.820 177.584 0.023 0.000 1.197 431 A CA 2.686 54.630 52.037 -0.154 0.000 0.637 431 A CB -0.472 18.436 19.000 -0.154 0.000 0.827 431 A HN 0.463 nan 8.150 nan 0.000 0.450 432 M N -1.647 117.959 119.600 0.011 0.000 2.325 432 M HA -0.010 4.470 4.480 0.001 0.000 0.265 432 M C 1.597 177.912 176.300 0.025 0.000 1.094 432 M CA 1.500 56.821 55.300 0.035 0.000 1.161 432 M CB -1.495 31.116 32.600 0.018 0.000 1.358 432 M HN 0.459 nan 8.290 nan 0.000 0.446 433 D N 0.216 120.623 120.400 0.011 0.000 2.371 433 D HA -0.053 4.587 4.640 0.001 0.000 0.221 433 D C 2.057 178.370 176.300 0.022 0.000 0.986 433 D CA 0.768 54.778 54.000 0.018 0.000 0.899 433 D CB 0.388 41.196 40.800 0.013 0.000 0.902 433 D HN 0.228 nan 8.370 nan 0.000 0.530 434 R N -0.473 120.036 120.500 0.015 0.000 2.087 434 R HA 0.106 4.446 4.340 0.001 0.000 0.213 434 R C 2.086 178.409 176.300 0.038 0.000 1.137 434 R CA 0.396 56.509 56.100 0.022 0.000 1.022 434 R CB -0.109 30.194 30.300 0.004 0.000 0.920 434 R HN -0.034 nan 8.270 nan 0.000 0.451 435 K N 1.295 121.722 120.400 0.044 0.000 2.228 435 K HA -0.148 4.173 4.320 0.001 0.000 0.205 435 K C 1.256 177.890 176.600 0.057 0.000 1.045 435 K CA 1.934 58.255 56.287 0.058 0.000 0.931 435 K CB -0.087 32.467 32.500 0.089 0.000 0.727 435 K HN 0.265 nan 8.250 nan 0.000 0.458 436 T N -0.723 113.864 114.554 0.055 0.000 3.160 436 T HA -0.036 4.315 4.350 0.001 0.000 0.257 436 T C 1.527 176.280 174.700 0.089 0.000 1.147 436 T CA 0.227 62.365 62.100 0.063 0.000 1.064 436 T CB -0.028 68.871 68.868 0.052 0.000 0.949 436 T HN 0.101 nan 8.240 nan 0.000 0.526 437 L N 1.016 122.284 121.223 0.075 0.000 1.970 437 L HA 0.032 4.372 4.340 0.001 0.000 0.212 437 L C 2.282 179.201 176.870 0.082 0.000 1.071 437 L CA 1.566 56.452 54.840 0.076 0.000 0.751 437 L CB -1.193 40.900 42.059 0.056 0.000 0.889 437 L HN 0.315 nan 8.230 nan 0.000 0.432 438 L N -0.614 120.651 121.223 0.070 0.000 2.051 438 L HA -0.266 4.075 4.340 0.001 0.000 0.214 438 L C 2.749 179.671 176.870 0.086 0.000 1.076 438 L CA 2.414 57.293 54.840 0.066 0.000 0.758 438 L CB -1.072 41.020 42.059 0.055 0.000 0.890 438 L HN 0.657 nan 8.230 nan 0.000 0.433 439 S N -1.259 114.508 115.700 0.112 0.000 2.387 439 S HA -0.145 4.326 4.470 0.001 0.000 0.226 439 S C 2.105 176.842 174.600 0.229 0.000 1.026 439 S CA 0.769 59.068 58.200 0.164 0.000 0.972 439 S CB -0.540 62.762 63.200 0.170 0.000 0.814 439 S HN 0.534 nan 8.310 nan 0.000 0.477 440 R N 1.091 121.732 120.500 0.234 0.000 2.090 440 R HA 0.106 4.447 4.340 0.001 0.000 0.228 440 R C 2.400 178.774 176.300 0.124 0.000 1.110 440 R CA 1.473 57.707 56.100 0.223 0.000 0.973 440 R CB -0.179 30.257 30.300 0.226 0.000 0.869 440 R HN 0.613 nan 8.270 nan 0.000 0.440 441 E N 0.043 120.293 120.200 0.084 0.000 2.170 441 E HA -0.090 4.261 4.350 0.001 0.000 0.191 441 E C 1.998 178.608 176.600 0.017 0.000 0.981 441 E CA 0.261 56.676 56.400 0.025 0.000 0.830 441 E CB 0.075 29.789 29.700 0.024 0.000 0.775 441 E HN 0.178 nan 8.360 nan 0.000 0.470 442 R N 1.039 121.570 120.500 0.053 0.000 2.120 442 R HA -0.145 4.195 4.340 0.001 0.000 0.234 442 R C 2.344 178.682 176.300 0.064 0.000 1.123 442 R CA 0.790 56.922 56.100 0.053 0.000 0.975 442 R CB -0.120 30.221 30.300 0.068 0.000 0.866 442 R HN 0.126 nan 8.270 nan 0.000 0.446 443 L N 1.317 122.595 121.223 0.091 0.000 2.027 443 L HA -0.121 4.220 4.340 0.001 0.000 0.206 443 L C 2.229 179.179 176.870 0.133 0.000 1.074 443 L CA 2.052 56.971 54.840 0.132 0.000 0.745 443 L CB -0.506 41.598 42.059 0.074 0.000 0.898 443 L HN 0.243 nan 8.230 nan 0.000 0.433 444 E N -0.632 119.532 120.200 -0.060 0.000 2.058 444 E HA -0.267 4.084 4.350 0.001 0.000 0.194 444 E C 2.354 178.833 176.600 -0.202 0.000 0.997 444 E CA 1.320 57.418 56.400 -0.503 0.000 0.801 444 E CB -0.097 29.164 29.700 -0.731 0.000 0.746 444 E HN 0.422 nan 8.360 nan 0.000 0.450 445 R N -0.221 120.225 120.500 -0.091 0.000 2.105 445 R HA -0.163 4.177 4.340 0.001 0.000 0.239 445 R C 2.349 178.660 176.300 0.017 0.000 1.135 445 R CA 1.185 57.265 56.100 -0.032 0.000 0.967 445 R CB -0.308 29.984 30.300 -0.013 0.000 0.861 445 R HN 0.203 nan 8.270 nan 0.000 0.442 446 A N 0.397 123.248 122.820 0.051 0.000 1.929 446 A HA -0.154 4.167 4.320 0.001 0.000 0.216 446 A C 1.930 179.569 177.584 0.092 0.000 1.176 446 A CA 0.813 52.890 52.037 0.067 0.000 0.628 446 A CB -0.549 18.492 19.000 0.069 0.000 0.816 446 A HN 0.356 nan 8.150 nan 0.000 0.444 447 F N 0.727 120.659 119.950 -0.031 0.000 2.102 447 F HA -0.212 4.316 4.527 0.001 0.000 0.298 447 F C 2.454 178.248 175.800 -0.011 0.000 1.105 447 F CA 1.807 59.783 58.000 -0.040 0.000 1.239 447 F CB 0.010 39.028 39.000 0.030 0.000 0.991 447 F HN 0.055 nan 8.300 nan 0.000 0.474 448 R N -0.005 120.609 120.500 0.190 0.000 2.081 448 R HA -0.198 4.142 4.340 0.001 0.000 0.235 448 R C 2.164 178.463 176.300 -0.001 0.000 1.131 448 R CA 1.815 57.965 56.100 0.084 0.000 0.960 448 R CB -1.343 28.972 30.300 0.024 0.000 0.856 448 R HN 0.400 nan 8.270 nan 0.000 0.436 449 M N -0.256 119.346 119.600 0.005 0.000 2.086 449 M HA -0.124 4.356 4.480 0.001 0.000 0.261 449 M C 1.976 178.248 176.300 -0.046 0.000 1.067 449 M CA 1.490 56.780 55.300 -0.018 0.000 1.116 449 M CB -0.397 32.204 32.600 0.002 0.000 1.348 449 M HN 0.077 nan 8.290 nan 0.000 0.407 450 F N 0.648 120.485 119.950 -0.187 0.000 2.161 450 F HA -0.202 4.325 4.527 0.001 0.000 0.300 450 F C 0.931 176.564 175.800 -0.279 0.000 1.089 450 F CA 1.517 59.368 58.000 -0.248 0.000 1.282 450 F CB -0.322 38.471 39.000 -0.346 0.000 1.010 450 F HN 0.131 nan 8.300 nan 0.000 0.485 451 D N 0.129 120.398 120.400 -0.218 0.000 2.688 451 D HA 0.029 4.670 4.640 0.001 0.000 0.228 451 D C 1.413 177.596 176.300 -0.194 0.000 1.116 451 D CA 0.573 54.424 54.000 -0.248 0.000 1.023 451 D CB -0.118 40.554 40.800 -0.212 0.000 1.100 451 D HN 0.329 nan 8.370 nan 0.000 0.487 452 S N 0.976 116.522 115.700 -0.256 0.000 2.399 452 S HA -0.173 4.297 4.470 0.001 0.000 0.231 452 S C 1.262 175.784 174.600 -0.129 0.000 1.022 452 S CA 0.651 58.740 58.200 -0.185 0.000 0.983 452 S CB 0.086 63.156 63.200 -0.216 0.000 0.803 452 S HN 0.255 nan 8.310 nan 0.000 0.480 453 D N 1.672 121.996 120.400 -0.126 0.000 2.340 453 D HA 0.176 4.817 4.640 0.001 0.000 0.220 453 D C -0.158 176.109 176.300 -0.055 0.000 1.039 453 D CA 0.080 54.031 54.000 -0.083 0.000 0.866 453 D CB -0.488 40.264 40.800 -0.079 0.000 0.913 453 D HN 0.295 nan 8.370 nan 0.000 0.523 454 N N -0.509 118.160 118.700 -0.052 0.000 2.740 454 N HA -0.197 4.544 4.740 0.001 0.000 0.248 454 N C 1.018 176.529 175.510 0.002 0.000 1.062 454 N CA 0.952 53.991 53.050 -0.018 0.000 0.704 454 N CB -1.763 36.716 38.487 -0.014 0.000 0.968 454 N HN 0.232 nan 8.380 nan 0.000 0.547 455 S N -1.947 113.751 115.700 -0.003 0.000 2.461 455 S HA 0.208 4.679 4.470 0.001 0.000 0.228 455 S C 1.768 176.406 174.600 0.064 0.000 1.005 455 S CA 1.095 59.306 58.200 0.019 0.000 0.942 455 S CB 0.190 63.392 63.200 0.003 0.000 0.776 455 S HN 1.284 nan 8.310 nan 0.000 0.514 456 G N 0.777 109.640 108.800 0.105 0.000 2.179 456 G HA2 -0.225 3.735 3.960 0.001 0.000 0.260 456 G HA3 -0.225 3.735 3.960 0.001 0.000 0.260 456 G C -0.076 175.005 174.900 0.302 0.000 0.977 456 G CA 0.478 45.705 45.100 0.211 0.000 0.641 456 G HN 0.634 nan 8.290 nan 0.000 0.533 457 K N -0.595 119.923 120.400 0.197 0.000 2.477 457 K HA 0.714 5.034 4.320 0.001 0.000 0.255 457 K C -0.727 175.911 176.600 0.063 0.000 0.952 457 K CA -0.960 55.445 56.287 0.196 0.000 0.826 457 K CB 2.282 34.858 32.500 0.126 0.000 1.331 457 K HN 0.116 nan 8.250 nan 0.000 0.437 458 I N 1.894 122.502 120.570 0.063 0.000 2.406 458 I HA 0.114 4.285 4.170 0.001 0.000 0.290 458 I C 0.566 176.698 176.117 0.025 0.000 0.999 458 I CA -0.562 60.717 61.300 -0.034 0.000 1.124 458 I CB 1.954 39.816 38.000 -0.230 0.000 1.289 458 I HN 0.677 nan 8.210 nan 0.000 0.441 459 S N 3.444 119.167 115.700 0.039 0.000 2.589 459 S HA 0.115 4.585 4.470 0.001 0.000 0.265 459 S C 1.134 175.778 174.600 0.073 0.000 1.342 459 S CA -0.421 57.816 58.200 0.063 0.000 1.005 459 S CB 1.548 64.784 63.200 0.060 0.000 0.909 459 S HN 0.624 nan 8.310 nan 0.000 0.555 460 S N 0.844 116.621 115.700 0.128 0.000 2.382 460 S HA -0.088 4.382 4.470 0.001 0.000 0.228 460 S C 1.917 176.640 174.600 0.204 0.000 1.027 460 S CA 1.722 60.051 58.200 0.214 0.000 0.991 460 S CB -1.042 62.317 63.200 0.265 0.000 0.823 460 S HN 0.865 nan 8.310 nan 0.000 0.469 461 T N 1.914 116.558 114.554 0.150 0.000 2.720 461 T HA -0.123 4.227 4.350 0.001 0.000 0.268 461 T C 1.628 176.382 174.700 0.091 0.000 1.037 461 T CA 1.514 63.693 62.100 0.131 0.000 1.144 461 T CB -0.329 68.599 68.868 0.099 0.000 0.864 461 T HN 0.547 nan 8.240 nan 0.000 0.444 462 E N 0.546 120.780 120.200 0.056 0.000 2.106 462 E HA 0.009 4.359 4.350 0.001 0.000 0.192 462 E C 2.259 178.760 176.600 -0.165 0.000 0.984 462 E CA 0.626 57.043 56.400 0.029 0.000 0.806 462 E CB -0.242 29.539 29.700 0.134 0.000 0.750 462 E HN 0.404 nan 8.360 nan 0.000 0.458 463 L N 0.687 121.775 121.223 -0.224 0.000 2.046 463 L HA -0.206 4.134 4.340 0.001 0.000 0.208 463 L C 2.602 179.208 176.870 -0.441 0.000 1.077 463 L CA 1.037 55.588 54.840 -0.482 0.000 0.747 463 L CB -0.494 41.249 42.059 -0.525 0.000 0.896 463 L HN 0.159 nan 8.230 nan 0.000 0.432 464 A N -0.370 122.406 122.820 -0.073 0.000 1.908 464 A HA -0.213 4.107 4.320 0.001 0.000 0.218 464 A C 2.359 180.031 177.584 0.146 0.000 1.181 464 A CA 2.421 54.615 52.037 0.262 0.000 0.627 464 A CB -0.904 18.329 19.000 0.388 0.000 0.818 464 A HN 0.415 nan 8.150 nan 0.000 0.445 465 T N 0.284 114.870 114.554 0.054 0.000 2.701 465 T HA -0.087 4.264 4.350 0.001 0.000 0.263 465 T C 1.832 176.511 174.700 -0.035 0.000 1.040 465 T CA 1.541 63.671 62.100 0.050 0.000 1.147 465 T CB -0.431 68.475 68.868 0.063 0.000 0.865 465 T HN 0.405 nan 8.240 nan 0.000 0.426 466 I N 0.198 120.636 120.570 -0.220 0.000 2.163 466 I HA -0.158 4.013 4.170 0.001 0.000 0.243 466 I C 2.047 177.995 176.117 -0.283 0.000 1.085 466 I CA 1.468 62.550 61.300 -0.363 0.000 1.347 466 I CB -0.370 37.215 38.000 -0.692 0.000 1.044 466 I HN 0.125 nan 8.210 nan 0.000 0.408 467 F N 0.738 120.583 119.950 -0.175 0.000 2.259 467 F HA -0.005 4.523 4.527 0.001 0.000 0.298 467 F C 2.458 178.279 175.800 0.035 0.000 1.088 467 F CA 1.033 58.961 58.000 -0.120 0.000 1.358 467 F CB -1.438 37.332 39.000 -0.384 0.000 1.040 467 F HN -0.004 nan 8.300 nan 0.000 0.505 468 G N 0.177 109.121 108.800 0.239 0.000 2.480 468 G HA2 -0.232 3.728 3.960 0.001 0.000 0.216 468 G HA3 -0.232 3.728 3.960 0.001 0.000 0.216 468 G C 1.890 176.879 174.900 0.148 0.000 1.200 468 G CA 1.349 46.573 45.100 0.207 0.000 0.782 468 G HN 0.214 nan 8.290 nan 0.000 0.554 469 V N 1.055 121.038 119.914 0.115 0.000 2.370 469 V HA -0.196 3.924 4.120 0.001 0.000 0.252 469 V C 2.857 178.999 176.094 0.079 0.000 1.068 469 V CA 2.254 64.610 62.300 0.093 0.000 1.061 469 V CB -0.436 31.437 31.823 0.083 0.000 0.656 469 V HN 0.347 nan 8.190 nan 0.000 0.455 470 S N -1.390 114.369 115.700 0.099 0.000 2.593 470 S HA 0.019 4.489 4.470 0.001 0.000 0.217 470 S C 0.973 175.656 174.600 0.138 0.000 0.966 470 S CA 0.620 58.891 58.200 0.118 0.000 0.914 470 S CB -0.403 62.891 63.200 0.157 0.000 0.776 470 S HN 0.785 nan 8.310 nan 0.000 0.523 471 D N 0.895 121.379 120.400 0.140 0.000 2.837 471 D HA -0.158 4.482 4.640 0.001 0.000 0.230 471 D C -0.682 175.703 176.300 0.141 0.000 1.152 471 D CA 0.308 54.383 54.000 0.126 0.000 0.736 471 D CB -1.609 39.240 40.800 0.082 0.000 1.084 471 D HN 0.183 nan 8.370 nan 0.000 0.429 472 V N 1.344 121.384 119.914 0.209 0.000 2.385 472 V HA 0.199 4.319 4.120 0.001 0.000 0.269 472 V C 0.799 177.026 176.094 0.222 0.000 1.043 472 V CA -0.426 61.980 62.300 0.176 0.000 0.906 472 V CB 1.273 33.177 31.823 0.136 0.000 0.995 472 V HN 0.290 nan 8.190 nan 0.000 0.467 473 D N 4.004 124.477 120.400 0.121 0.000 2.583 473 D HA -0.042 4.598 4.640 0.001 0.000 0.232 473 D C 1.402 177.734 176.300 0.053 0.000 1.128 473 D CA 0.745 54.793 54.000 0.081 0.000 0.859 473 D CB 1.049 41.854 40.800 0.007 0.000 1.169 473 D HN 0.604 nan 8.370 nan 0.000 0.481 474 S N 3.206 118.918 115.700 0.020 0.000 2.359 474 S HA -0.290 4.180 4.470 0.001 0.000 0.223 474 S C 1.737 175.953 174.600 -0.640 0.000 1.039 474 S CA 1.273 59.329 58.200 -0.240 0.000 1.042 474 S CB -0.383 62.777 63.200 -0.066 0.000 0.915 474 S HN 0.764 nan 8.310 nan 0.000 0.439 475 E N 0.660 120.656 120.200 -0.341 0.000 2.153 475 E HA -0.140 4.211 4.350 0.001 0.000 0.194 475 E C 1.825 178.244 176.600 -0.301 0.000 0.988 475 E CA 1.394 57.607 56.400 -0.311 0.000 0.811 475 E CB -0.148 29.449 29.700 -0.173 0.000 0.746 475 E HN 0.515 nan 8.360 nan 0.000 0.466 476 T N 1.084 115.498 114.554 -0.233 0.000 2.674 476 T HA -0.172 4.179 4.350 0.001 0.000 0.265 476 T C 1.500 176.101 174.700 -0.165 0.000 1.039 476 T CA 1.552 63.558 62.100 -0.156 0.000 1.150 476 T CB -0.533 68.284 68.868 -0.085 0.000 0.864 476 T HN 0.546 nan 8.240 nan 0.000 0.427 477 W N 2.080 123.225 121.300 -0.259 0.000 2.467 477 W HA 0.083 4.743 4.660 0.001 0.000 0.275 477 W C 1.448 177.857 176.519 -0.183 0.000 1.239 477 W CA 0.411 57.523 57.345 -0.388 0.000 1.266 477 W CB -0.582 28.329 29.460 -0.915 0.000 1.112 477 W HN 0.249 nan 8.180 nan 0.000 0.576 478 K N 1.189 121.272 120.400 -0.528 0.000 2.097 478 K HA -0.163 4.157 4.320 0.001 0.000 0.205 478 K C 2.565 179.075 176.600 -0.150 0.000 1.050 478 K CA 1.872 57.919 56.287 -0.401 0.000 0.938 478 K CB -0.434 31.672 32.500 -0.656 0.000 0.718 478 K HN 0.045 nan 8.250 nan 0.000 0.442 479 S N 0.826 116.431 115.700 -0.159 0.000 2.356 479 S HA -0.128 4.343 4.470 0.001 0.000 0.223 479 S C 2.077 176.656 174.600 -0.036 0.000 1.032 479 S CA 1.210 59.358 58.200 -0.087 0.000 1.005 479 S CB -0.257 62.889 63.200 -0.091 0.000 0.867 479 S HN 0.082 nan 8.310 nan 0.000 0.449 480 V N 1.919 121.820 119.914 -0.021 0.000 2.407 480 V HA -0.099 4.022 4.120 0.001 0.000 0.248 480 V C 2.488 178.611 176.094 0.048 0.000 1.055 480 V CA 1.738 64.042 62.300 0.008 0.000 1.049 480 V CB -0.759 31.064 31.823 -0.001 0.000 0.662 480 V HN 0.524 nan 8.190 nan 0.000 0.455 481 L N 0.277 121.561 121.223 0.102 0.000 2.042 481 L HA -0.152 4.188 4.340 0.001 0.000 0.210 481 L C 2.648 179.568 176.870 0.084 0.000 1.076 481 L CA 2.499 57.425 54.840 0.144 0.000 0.749 481 L CB -1.021 41.191 42.059 0.255 0.000 0.893 481 L HN 0.362 nan 8.230 nan 0.000 0.432 482 S N -0.913 114.815 115.700 0.047 0.000 2.382 482 S HA -0.218 4.252 4.470 0.001 0.000 0.228 482 S C 1.852 176.464 174.600 0.020 0.000 1.027 482 S CA 1.589 59.804 58.200 0.026 0.000 0.991 482 S CB -0.307 62.893 63.200 -0.001 0.000 0.823 482 S HN 0.667 nan 8.310 nan 0.000 0.469 483 E N -0.013 120.196 120.200 0.015 0.000 2.106 483 E HA -0.066 4.285 4.350 0.001 0.000 0.192 483 E C 2.147 178.757 176.600 0.015 0.000 0.984 483 E CA 1.278 57.683 56.400 0.009 0.000 0.806 483 E CB -0.155 29.546 29.700 0.001 0.000 0.750 483 E HN 0.384 nan 8.360 nan 0.000 0.458 484 V N 1.005 120.934 119.914 0.026 0.000 2.358 484 V HA -0.130 3.990 4.120 0.001 0.000 0.246 484 V C 0.700 176.812 176.094 0.030 0.000 1.047 484 V CA 1.335 63.651 62.300 0.026 0.000 1.035 484 V CB -0.020 31.825 31.823 0.036 0.000 0.658 484 V HN 0.208 nan 8.190 nan 0.000 0.452 485 D N -1.086 119.339 120.400 0.041 0.000 2.323 485 D HA 0.181 4.821 4.640 0.001 0.000 0.242 485 D C 0.932 177.256 176.300 0.040 0.000 1.347 485 D CA -0.354 53.671 54.000 0.041 0.000 0.988 485 D CB 0.930 41.763 40.800 0.054 0.000 1.314 485 D HN -0.152 nan 8.370 nan 0.000 0.564 486 K N 1.365 121.782 120.400 0.029 0.000 2.074 486 K HA -0.079 4.242 4.320 0.001 0.000 0.209 486 K C 0.702 177.320 176.600 0.030 0.000 1.048 486 K CA 0.862 57.164 56.287 0.025 0.000 0.926 486 K CB 0.060 32.571 32.500 0.017 0.000 0.713 486 K HN 0.376 nan 8.250 nan 0.000 0.444 487 N N 2.187 120.906 118.700 0.032 0.000 2.389 487 N HA -0.026 4.715 4.740 0.001 0.000 0.237 487 N C -0.212 175.325 175.510 0.045 0.000 1.148 487 N CA -0.104 52.967 53.050 0.034 0.000 0.854 487 N CB -0.415 38.090 38.487 0.029 0.000 1.115 487 N HN 0.367 nan 8.380 nan 0.000 0.492 488 N N 0.721 119.455 118.700 0.056 0.000 2.453 488 N HA -0.016 4.725 4.740 0.001 0.000 0.253 488 N C -0.257 175.295 175.510 0.071 0.000 1.252 488 N CA -0.200 52.894 53.050 0.072 0.000 0.917 488 N CB 0.615 39.160 38.487 0.096 0.000 1.117 488 N HN -0.026 nan 8.380 nan 0.000 0.442 489 D N 0.100 120.545 120.400 0.076 0.000 2.891 489 D HA 0.207 4.847 4.640 0.001 0.000 0.312 489 D C 0.658 177.007 176.300 0.083 0.000 1.354 489 D CA -0.577 53.464 54.000 0.069 0.000 0.838 489 D CB -0.547 40.288 40.800 0.058 0.000 1.117 489 D HN 0.940 nan 8.370 nan 0.000 0.473 490 G N 1.231 110.095 108.800 0.106 0.000 2.246 490 G HA2 -0.247 3.713 3.960 0.001 0.000 0.273 490 G HA3 -0.247 3.713 3.960 0.001 0.000 0.273 490 G C -0.259 174.718 174.900 0.128 0.000 1.055 490 G CA 0.494 45.672 45.100 0.130 0.000 0.851 490 G HN 0.758 nan 8.290 nan 0.000 0.500 491 E N -2.556 117.720 120.200 0.127 0.000 2.388 491 E HA 0.627 4.978 4.350 0.001 0.000 0.280 491 E C -0.618 176.064 176.600 0.136 0.000 1.019 491 E CA -0.857 55.616 56.400 0.121 0.000 0.806 491 E CB 1.999 31.756 29.700 0.096 0.000 1.246 491 E HN 1.199 nan 8.360 nan 0.000 0.443 492 V N -0.914 119.094 119.914 0.156 0.000 2.789 492 V HA 0.615 4.735 4.120 0.001 0.000 0.311 492 V C -0.640 175.586 176.094 0.220 0.000 1.073 492 V CA -0.825 61.581 62.300 0.177 0.000 0.921 492 V CB 1.562 33.518 31.823 0.221 0.000 1.009 492 V HN 0.886 nan 8.190 nan 0.000 0.426 493 D N 2.751 123.251 120.400 0.167 0.000 2.447 493 D HA 0.170 4.810 4.640 0.001 0.000 0.265 493 D C 0.878 177.171 176.300 -0.011 0.000 1.250 493 D CA -0.524 53.575 54.000 0.165 0.000 1.046 493 D CB 0.387 41.247 40.800 0.100 0.000 1.095 493 D HN 0.477 nan 8.370 nan 0.000 0.555 494 F N 0.094 119.757 119.950 -0.478 0.000 2.095 494 F HA -0.148 4.379 4.527 0.001 0.000 0.298 494 F C 1.831 177.426 175.800 -0.342 0.000 1.104 494 F CA 2.121 59.558 58.000 -0.938 0.000 1.232 494 F CB -0.502 37.928 39.000 -0.950 0.000 0.987 494 F HN 0.455 nan 8.300 nan 0.000 0.475 495 D N -0.333 119.816 120.400 -0.417 0.000 2.144 495 D HA -0.181 4.460 4.640 0.001 0.000 0.199 495 D C 2.003 178.132 176.300 -0.284 0.000 0.984 495 D CA 1.641 55.402 54.000 -0.398 0.000 0.834 495 D CB -0.124 40.594 40.800 -0.137 0.000 0.955 495 D HN 0.515 nan 8.370 nan 0.000 0.465 496 E N -0.987 119.130 120.200 -0.138 0.000 2.072 496 E HA -0.129 4.221 4.350 0.001 0.000 0.191 496 E C 1.738 178.333 176.600 -0.008 0.000 0.985 496 E CA 0.572 56.951 56.400 -0.035 0.000 0.801 496 E CB -0.223 29.505 29.700 0.048 0.000 0.750 496 E HN 0.318 nan 8.360 nan 0.000 0.452 497 F N 2.016 121.853 119.950 -0.188 0.000 2.069 497 F HA -0.269 4.258 4.527 0.001 0.000 0.298 497 F C 2.495 178.160 175.800 -0.225 0.000 1.113 497 F CA 2.101 60.015 58.000 -0.144 0.000 1.214 497 F CB -0.389 38.541 39.000 -0.116 0.000 0.978 497 F HN -0.061 nan 8.300 nan 0.000 0.474 498 Q N -0.125 119.353 119.800 -0.536 0.000 2.135 498 Q HA -0.269 4.071 4.340 0.001 0.000 0.204 498 Q C 2.197 178.030 176.000 -0.278 0.000 0.981 498 Q CA 2.041 57.486 55.803 -0.597 0.000 0.856 498 Q CB -0.227 28.020 28.738 -0.820 0.000 0.902 498 Q HN 0.614 nan 8.270 nan 0.000 0.425 499 Q N -0.372 119.304 119.800 -0.206 0.000 2.079 499 Q HA -0.158 4.183 4.340 0.001 0.000 0.200 499 Q C 2.170 178.130 176.000 -0.066 0.000 0.974 499 Q CA 1.695 57.442 55.803 -0.094 0.000 0.840 499 Q CB -0.073 28.626 28.738 -0.064 0.000 0.898 499 Q HN 0.494 nan 8.270 nan 0.000 0.430 500 M N 0.363 119.919 119.600 -0.075 0.000 2.065 500 M HA -0.220 4.261 4.480 0.001 0.000 0.259 500 M C 2.182 178.444 176.300 -0.064 0.000 1.069 500 M CA 1.570 56.849 55.300 -0.035 0.000 1.110 500 M CB -0.446 32.181 32.600 0.046 0.000 1.328 500 M HN 0.220 nan 8.290 nan 0.000 0.405 501 L N -0.046 121.089 121.223 -0.148 0.000 2.081 501 L HA -0.248 4.093 4.340 0.001 0.000 0.212 501 L C 2.410 179.301 176.870 0.034 0.000 1.080 501 L CA 1.238 56.050 54.840 -0.046 0.000 0.754 501 L CB -0.902 41.131 42.059 -0.043 0.000 0.893 501 L HN 0.378 nan 8.230 nan 0.000 0.433 502 L N -0.267 120.984 121.223 0.046 0.000 2.046 502 L HA -0.212 4.128 4.340 0.001 0.000 0.208 502 L C 2.631 179.491 176.870 -0.016 0.000 1.077 502 L CA 1.427 56.277 54.840 0.016 0.000 0.747 502 L CB -0.406 41.666 42.059 0.022 0.000 0.896 502 L HN 0.224 nan 8.230 nan 0.000 0.432 503 K N -0.053 120.337 120.400 -0.017 0.000 2.288 503 K HA -0.069 4.251 4.320 0.001 0.000 0.201 503 K C 1.853 178.438 176.600 -0.026 0.000 1.048 503 K CA 0.832 57.106 56.287 -0.021 0.000 0.956 503 K CB 0.002 32.492 32.500 -0.017 0.000 0.746 503 K HN 0.294 nan 8.250 nan 0.000 0.461 504 L N 0.469 121.676 121.223 -0.027 0.000 2.599 504 L HA -0.027 4.314 4.340 0.001 0.000 0.230 504 L C 1.224 178.081 176.870 -0.021 0.000 1.141 504 L CA 0.134 54.957 54.840 -0.029 0.000 0.877 504 L CB 0.094 42.133 42.059 -0.034 0.000 1.009 504 L HN 0.308 nan 8.230 nan 0.000 0.447 505 C N -2.486 116.797 119.300 -0.028 0.000 2.751 505 C HA 0.674 5.135 4.460 0.001 0.000 0.248 505 C C 1.367 176.333 174.990 -0.040 0.000 1.710 505 C CA -0.498 58.498 59.018 -0.036 0.000 1.676 505 C CB -0.657 27.050 27.740 -0.055 0.000 3.106 505 C HN 0.591 nan 8.230 nan 0.000 0.502 506 G N 2.091 110.871 108.800 -0.032 0.000 2.198 506 G HA2 -0.211 3.749 3.960 0.001 0.000 0.260 506 G HA3 -0.211 3.749 3.960 0.001 0.000 0.260 506 G C -0.264 174.618 174.900 -0.031 0.000 1.025 506 G CA 0.518 45.600 45.100 -0.030 0.000 0.769 506 G HN 0.723 nan 8.290 nan 0.000 0.507 507 N N 0.000 118.681 118.700 -0.032 0.000 1.763 507 N HA 0.000 4.740 4.740 0.001 0.000 0.220 507 N CA 0.000 53.032 53.050 -0.029 0.000 0.885 507 N CB 0.000 38.464 38.487 -0.039 0.000 1.341 507 N HN 0.000 nan 8.380 nan 0.000 0.667