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 1vl6_1_D DATA FIRST_RESID 0 DATA SEQUENCE HVDALEVHRF LKGKIRTALP VEKVDRETLS LLYTPGVADV ARACAEDPEK DATA SEQUENCE TYVYTSRWNT VAVVSDGSAV LGLGNIGPYG ALPVXEGKAF LFKAFADIDA DATA SEQUENCE FPICLSESEE EKIISIVKSL EPSFGGINLE DIGAPKCFRI LQRLSEEXNI DATA SEQUENCE PVFHDDQQGT AVVVSAAFLN ALKLTEKKIE EVKVVVNGIG AAGYNIVKFL DATA SEQUENCE LDLGVKNVVA VDRKGILNEN DPETCLNEYH LEIARITNPE RLSGDLETAL DATA SEQUENCE EGADFFIGVS RGNILKPEWI KKXSRKPVIF ALANPVPEID PELAREAGAF DATA SEQUENCE IVATGRSDHP NQVNNLLAFP GIXKGAVEKR SKITKNXLLS AVEAIARSCE DATA SEQUENCE PEPERIIPEA FDXKVHLNVY TAVKGSA 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 0 H HA 0.000 nan 4.556 nan 0.000 0.296 0 H C 0.000 175.318 175.328 -0.016 0.000 0.993 0 H CA 0.000 56.039 56.048 -0.014 0.000 1.023 0 H CB 0.000 29.755 29.762 -0.012 0.000 1.292 1 V N 1.790 121.693 119.914 -0.019 0.000 2.304 1 V HA 0.290 4.413 4.120 0.005 0.000 0.262 1 V C -0.049 176.040 176.094 -0.009 0.000 1.061 1 V CA -0.522 61.766 62.300 -0.021 0.000 0.872 1 V CB 0.941 32.746 31.823 -0.030 0.000 1.077 1 V HN 0.771 nan 8.190 nan 0.000 0.480 2 D N 3.407 123.807 120.400 0.000 0.000 2.264 2 D HA 0.424 5.067 4.640 0.005 0.000 0.249 2 D C 1.071 177.391 176.300 0.034 0.000 1.070 2 D CA 0.192 54.199 54.000 0.011 0.000 0.912 2 D CB 2.441 43.247 40.800 0.010 0.000 1.193 2 D HN 0.446 nan 8.370 nan 0.000 0.427 3 A N 3.842 126.684 122.820 0.036 0.000 1.908 3 A HA -0.169 4.154 4.320 0.005 0.000 0.218 3 A C 2.325 179.976 177.584 0.113 0.000 1.181 3 A CA 1.199 53.287 52.037 0.084 0.000 0.627 3 A CB -0.506 18.506 19.000 0.021 0.000 0.818 3 A HN 0.704 nan 8.150 nan 0.000 0.445 4 L N -0.873 120.361 121.223 0.019 0.000 2.005 4 L HA -0.200 4.143 4.340 0.005 0.000 0.207 4 L C 2.640 179.561 176.870 0.084 0.000 1.072 4 L CA 1.741 56.587 54.840 0.010 0.000 0.744 4 L CB -0.582 41.467 42.059 -0.016 0.000 0.895 4 L HN 0.452 nan 8.230 nan 0.000 0.433 5 E N -0.655 119.586 120.200 0.069 0.000 2.097 5 E HA -0.249 4.104 4.350 0.005 0.000 0.196 5 E C 2.256 178.929 176.600 0.121 0.000 1.000 5 E CA 1.477 57.924 56.400 0.078 0.000 0.804 5 E CB -0.171 29.554 29.700 0.041 0.000 0.740 5 E HN 0.236 nan 8.360 nan 0.000 0.454 6 V N 0.487 120.472 119.914 0.120 0.000 2.548 6 V HA -0.192 3.931 4.120 0.005 0.000 0.249 6 V C 1.679 177.857 176.094 0.140 0.000 1.055 6 V CA 1.744 64.111 62.300 0.111 0.000 1.065 6 V CB -0.319 31.524 31.823 0.034 0.000 0.681 6 V HN 0.256 nan 8.190 nan 0.000 0.462 7 H N -0.026 119.071 119.070 0.044 0.000 2.353 7 H HA -0.129 4.430 4.556 0.005 0.000 0.300 7 H C 2.369 177.728 175.328 0.052 0.000 1.090 7 H CA 2.081 58.150 56.048 0.033 0.000 1.327 7 H CB -0.190 29.576 29.762 0.007 0.000 1.383 7 H HN 0.306 nan 8.280 nan 0.000 0.508 8 R N -0.091 120.523 120.500 0.189 0.000 2.083 8 R HA -0.197 4.146 4.340 0.005 0.000 0.237 8 R C 2.025 178.395 176.300 0.117 0.000 1.137 8 R CA 1.819 57.994 56.100 0.124 0.000 0.951 8 R CB -0.611 29.754 30.300 0.107 0.000 0.851 8 R HN 0.361 nan 8.270 nan 0.000 0.434 9 F N 1.201 121.162 119.950 0.019 0.000 2.134 9 F HA -0.098 4.432 4.527 0.005 0.000 0.299 9 F C 1.768 177.564 175.800 -0.006 0.000 1.097 9 F CA 1.430 59.433 58.000 0.004 0.000 1.264 9 F CB -0.056 38.944 39.000 0.000 0.000 1.001 9 F HN 0.013 nan 8.300 nan 0.000 0.479 10 L N 0.122 121.425 121.223 0.133 0.000 2.395 10 L HA -0.100 4.243 4.340 0.005 0.000 0.218 10 L C 0.762 177.592 176.870 -0.067 0.000 1.130 10 L CA 0.628 55.474 54.840 0.010 0.000 0.826 10 L CB -0.710 41.365 42.059 0.027 0.000 0.941 10 L HN -0.168 nan 8.230 nan 0.000 0.451 11 K N 0.233 120.608 120.400 -0.041 0.000 3.278 11 K HA -0.053 4.270 4.320 0.005 0.000 0.270 11 K C 0.317 176.906 176.600 -0.018 0.000 0.955 11 K CA 0.575 56.845 56.287 -0.028 0.000 0.723 11 K CB -2.960 29.503 32.500 -0.062 0.000 1.382 11 K HN 0.956 nan 8.250 nan 0.000 0.461 12 G N -0.817 107.976 108.800 -0.011 0.000 2.650 12 G HA2 -0.097 3.866 3.960 0.005 0.000 0.686 12 G HA3 -0.097 3.866 3.960 0.005 0.000 0.686 12 G C 0.055 174.933 174.900 -0.038 0.000 1.205 12 G CA -0.234 44.857 45.100 -0.016 0.000 0.781 12 G HN 0.311 nan 8.290 nan 0.000 0.648 13 K N -0.155 120.224 120.400 -0.035 0.000 2.358 13 K HA 0.324 4.647 4.320 0.005 0.000 0.197 13 K C 0.930 177.586 176.600 0.093 0.000 1.025 13 K CA 0.199 56.486 56.287 0.000 0.000 1.104 13 K CB 0.711 33.178 32.500 -0.055 0.000 0.855 13 K HN 0.466 nan 8.250 nan 0.000 0.531 14 I N 3.105 123.697 120.570 0.037 0.000 2.312 14 I HA 0.204 4.377 4.170 0.005 0.000 0.290 14 I C -0.122 176.018 176.117 0.038 0.000 1.008 14 I CA -0.515 60.802 61.300 0.029 0.000 1.226 14 I CB 0.823 38.784 38.000 -0.066 0.000 1.371 14 I HN 0.017 nan 8.210 nan 0.000 0.468 15 R N 3.700 124.235 120.500 0.058 0.000 2.668 15 R HA 0.559 4.902 4.340 0.005 0.000 0.279 15 R C 0.069 176.412 176.300 0.072 0.000 0.976 15 R CA -0.586 55.546 56.100 0.054 0.000 0.978 15 R CB 2.178 32.505 30.300 0.045 0.000 1.133 15 R HN 0.641 nan 8.270 nan 0.000 0.484 16 T N -2.013 112.583 114.554 0.070 0.000 2.936 16 T HA 0.824 5.177 4.350 0.005 0.000 0.282 16 T C -0.286 174.437 174.700 0.038 0.000 1.003 16 T CA -0.765 61.373 62.100 0.063 0.000 1.005 16 T CB 1.876 70.785 68.868 0.068 0.000 1.097 16 T HN 0.682 nan 8.240 nan 0.000 0.532 17 A N 1.016 123.853 122.820 0.029 0.000 2.566 17 A HA 0.639 4.962 4.320 0.005 0.000 0.297 17 A C -1.071 176.523 177.584 0.017 0.000 1.059 17 A CA -0.962 51.088 52.037 0.021 0.000 0.691 17 A CB 1.067 20.080 19.000 0.022 0.000 1.282 17 A HN 0.911 nan 8.150 nan 0.000 0.401 18 L N 2.959 124.190 121.223 0.014 0.000 2.334 18 L HA 0.403 4.746 4.340 0.005 0.000 0.277 18 L C -0.675 176.206 176.870 0.019 0.000 1.075 18 L CA -1.658 53.190 54.840 0.012 0.000 0.804 18 L CB 1.322 43.385 42.059 0.007 0.000 1.174 18 L HN 0.748 nan 8.230 nan 0.000 0.438 19 P HA -0.051 nan 4.420 nan 0.000 0.218 19 P C 0.050 177.363 177.300 0.022 0.000 1.149 19 P CA 0.971 64.088 63.100 0.029 0.000 0.817 19 P CB 0.190 31.911 31.700 0.035 0.000 0.785 20 V N -1.284 118.640 119.914 0.017 0.000 2.960 20 V HA 0.334 4.457 4.120 0.005 0.000 0.315 20 V C 1.352 177.452 176.094 0.010 0.000 1.087 20 V CA -0.735 61.573 62.300 0.014 0.000 0.982 20 V CB 2.187 34.018 31.823 0.014 0.000 1.039 20 V HN -0.175 nan 8.190 nan 0.000 0.437 21 E N 0.370 120.575 120.200 0.009 0.000 2.052 21 E HA 0.048 4.401 4.350 0.005 0.000 0.192 21 E C 0.770 177.372 176.600 0.004 0.000 0.958 21 E CA 0.263 56.667 56.400 0.006 0.000 0.835 21 E CB 0.300 30.004 29.700 0.006 0.000 0.811 21 E HN 0.403 nan 8.360 nan 0.000 0.462 22 K N 0.509 120.912 120.400 0.005 0.000 2.326 22 K HA 0.213 4.536 4.320 0.005 0.000 0.275 22 K C -0.919 175.683 176.600 0.003 0.000 1.018 22 K CA -0.097 56.192 56.287 0.003 0.000 0.962 22 K CB 1.059 33.562 32.500 0.004 0.000 0.953 22 K HN 0.040 nan 8.250 nan 0.000 0.475 23 V N 5.170 125.085 119.914 0.001 0.000 2.409 23 V HA 0.353 4.476 4.120 0.005 0.000 0.290 23 V C -0.598 175.497 176.094 0.002 0.000 1.017 23 V CA -0.922 61.379 62.300 0.000 0.000 0.841 23 V CB 1.411 33.230 31.823 -0.006 0.000 1.003 23 V HN 1.067 nan 8.190 nan 0.000 0.426 24 D N 3.032 123.435 120.400 0.006 0.000 2.585 24 D HA 0.358 5.001 4.640 0.005 0.000 0.254 24 D C 1.097 177.404 176.300 0.011 0.000 1.067 24 D CA -0.838 53.166 54.000 0.007 0.000 1.090 24 D CB 1.367 42.171 40.800 0.006 0.000 1.408 24 D HN -0.101 nan 8.370 nan 0.000 0.554 25 R N -0.509 119.997 120.500 0.011 0.000 2.113 25 R HA -0.184 4.159 4.340 0.005 0.000 0.244 25 R C 2.038 178.348 176.300 0.017 0.000 1.142 25 R CA 2.486 58.595 56.100 0.015 0.000 0.953 25 R CB -1.209 29.098 30.300 0.011 0.000 0.860 25 R HN 0.758 nan 8.270 nan 0.000 0.438 26 E N -1.282 118.926 120.200 0.013 0.000 2.051 26 E HA -0.162 4.191 4.350 0.005 0.000 0.192 26 E C 2.006 178.617 176.600 0.017 0.000 0.991 26 E CA 1.844 58.252 56.400 0.013 0.000 0.799 26 E CB -0.241 29.465 29.700 0.009 0.000 0.748 26 E HN 0.519 nan 8.360 nan 0.000 0.449 27 T N 1.717 116.281 114.554 0.018 0.000 2.684 27 T HA -0.176 4.177 4.350 0.005 0.000 0.267 27 T C 1.889 176.610 174.700 0.035 0.000 1.036 27 T CA 1.343 63.457 62.100 0.022 0.000 1.148 27 T CB -0.228 68.650 68.868 0.017 0.000 0.863 27 T HN 0.172 nan 8.240 nan 0.000 0.436 28 L N 1.519 122.767 121.223 0.041 0.000 2.083 28 L HA -0.102 4.240 4.340 0.005 0.000 0.209 28 L C 2.958 179.880 176.870 0.087 0.000 1.083 28 L CA 1.527 56.413 54.840 0.076 0.000 0.752 28 L CB -0.908 41.196 42.059 0.075 0.000 0.899 28 L HN 0.415 nan 8.230 nan 0.000 0.433 29 S N -0.040 115.689 115.700 0.048 0.000 2.419 29 S HA -0.147 4.326 4.470 0.005 0.000 0.233 29 S C 1.879 176.487 174.600 0.013 0.000 1.016 29 S CA 0.923 59.138 58.200 0.025 0.000 0.974 29 S CB -0.456 62.750 63.200 0.011 0.000 0.786 29 S HN 0.369 nan 8.310 nan 0.000 0.492 30 L N 0.101 121.337 121.223 0.021 0.000 2.084 30 L HA 0.220 4.563 4.340 0.005 0.000 0.202 30 L C 2.396 179.279 176.870 0.022 0.000 1.074 30 L CA 0.920 55.767 54.840 0.011 0.000 0.757 30 L CB -0.306 41.761 42.059 0.013 0.000 0.918 30 L HN 0.290 nan 8.230 nan 0.000 0.444 31 L N -2.426 118.829 121.223 0.053 0.000 2.509 31 L HA 0.019 4.362 4.340 0.005 0.000 0.222 31 L C 0.846 177.809 176.870 0.156 0.000 1.123 31 L CA 0.182 55.067 54.840 0.075 0.000 0.856 31 L CB 0.005 42.103 42.059 0.066 0.000 0.985 31 L HN 0.212 nan 8.230 nan 0.000 0.456 32 Y N 0.211 120.498 120.300 -0.022 0.000 3.323 32 Y HA 0.283 4.836 4.550 0.005 0.000 0.285 32 Y C 0.510 176.395 175.900 -0.026 0.000 1.897 32 Y CA -1.359 56.726 58.100 -0.024 0.000 0.959 32 Y CB 0.457 38.905 38.460 -0.020 0.000 1.453 32 Y HN -0.116 nan 8.280 nan 0.000 0.602 33 T N 1.582 115.940 114.554 -0.328 0.000 2.907 33 T HA 0.281 4.634 4.350 0.005 0.000 0.298 33 T C -2.156 172.497 174.700 -0.078 0.000 1.017 33 T CA -1.293 60.649 62.100 -0.263 0.000 1.118 33 T CB 1.325 70.011 68.868 -0.303 0.000 0.948 33 T HN 0.465 nan 8.240 nan 0.000 0.531 34 P HA 0.179 nan 4.420 nan 0.000 0.252 34 P C 1.686 178.926 177.300 -0.101 0.000 1.218 34 P CA 0.148 63.187 63.100 -0.102 0.000 0.807 34 P CB -0.220 31.439 31.700 -0.068 0.000 1.072 35 G N 1.011 109.766 108.800 -0.076 0.000 2.442 35 G HA2 -0.234 3.729 3.960 0.005 0.000 0.219 35 G HA3 -0.234 3.729 3.960 0.005 0.000 0.219 35 G C 1.566 176.408 174.900 -0.096 0.000 1.141 35 G CA 0.563 45.620 45.100 -0.071 0.000 0.763 35 G HN 0.261 nan 8.290 nan 0.000 0.554 36 V N 1.180 121.028 119.914 -0.109 0.000 2.720 36 V HA 0.014 4.137 4.120 0.005 0.000 0.256 36 V C 3.071 179.084 176.094 -0.135 0.000 1.082 36 V CA 1.963 64.193 62.300 -0.116 0.000 1.101 36 V CB -0.523 31.236 31.823 -0.107 0.000 0.693 36 V HN 0.456 nan 8.190 nan 0.000 0.479 37 A N -0.280 122.456 122.820 -0.141 0.000 1.908 37 A HA -0.262 4.061 4.320 0.005 0.000 0.218 37 A C 1.965 179.485 177.584 -0.107 0.000 1.181 37 A CA 2.088 54.053 52.037 -0.120 0.000 0.627 37 A CB -0.695 18.239 19.000 -0.108 0.000 0.818 37 A HN 0.597 nan 8.150 nan 0.000 0.445 38 D N -0.325 120.008 120.400 -0.112 0.000 2.149 38 D HA -0.109 4.534 4.640 0.005 0.000 0.198 38 D C 1.998 178.199 176.300 -0.165 0.000 0.990 38 D CA 1.525 55.453 54.000 -0.120 0.000 0.839 38 D CB -0.339 40.388 40.800 -0.122 0.000 0.948 38 D HN 0.266 nan 8.370 nan 0.000 0.460 39 V N 1.087 120.879 119.914 -0.204 0.000 2.548 39 V HA -0.119 4.004 4.120 0.005 0.000 0.249 39 V C 2.462 178.465 176.094 -0.150 0.000 1.055 39 V CA 1.381 63.510 62.300 -0.284 0.000 1.065 39 V CB -0.584 31.073 31.823 -0.277 0.000 0.681 39 V HN 0.150 nan 8.190 nan 0.000 0.462 40 A N 0.210 122.968 122.820 -0.103 0.000 1.855 40 A HA -0.215 4.108 4.320 0.005 0.000 0.215 40 A C 2.387 179.944 177.584 -0.044 0.000 1.191 40 A CA 1.809 53.809 52.037 -0.061 0.000 0.613 40 A CB -0.513 18.447 19.000 -0.067 0.000 0.829 40 A HN 0.443 nan 8.150 nan 0.000 0.442 41 R N -0.613 119.854 120.500 -0.055 0.000 2.096 41 R HA -0.183 4.160 4.340 0.005 0.000 0.240 41 R C 2.486 178.777 176.300 -0.016 0.000 1.139 41 R CA 1.513 57.592 56.100 -0.035 0.000 0.952 41 R CB -0.501 29.774 30.300 -0.042 0.000 0.854 41 R HN 0.532 nan 8.270 nan 0.000 0.436 42 A N 0.159 122.963 122.820 -0.027 0.000 1.908 42 A HA -0.202 4.121 4.320 0.005 0.000 0.218 42 A C 2.381 180.012 177.584 0.079 0.000 1.181 42 A CA 1.667 53.719 52.037 0.025 0.000 0.627 42 A CB -0.766 18.230 19.000 -0.006 0.000 0.818 42 A HN 0.515 nan 8.150 nan 0.000 0.445 43 C N -1.243 118.098 119.300 0.069 0.000 2.450 43 C HA 0.226 4.689 4.460 0.005 0.000 0.279 43 C C 3.267 178.288 174.990 0.052 0.000 1.335 43 C CA 0.352 59.423 59.018 0.089 0.000 1.749 43 C CB -1.242 26.548 27.740 0.083 0.000 1.963 43 C HN 0.703 nan 8.230 nan 0.000 0.501 44 A N 1.157 123.993 122.820 0.027 0.000 1.873 44 A HA -0.148 4.175 4.320 0.005 0.000 0.215 44 A C 2.101 179.701 177.584 0.025 0.000 1.186 44 A CA 2.047 54.095 52.037 0.018 0.000 0.616 44 A CB -0.727 18.275 19.000 0.004 0.000 0.823 44 A HN 0.517 nan 8.150 nan 0.000 0.442 45 E N -0.895 119.321 120.200 0.027 0.000 2.160 45 E HA -0.100 4.253 4.350 0.005 0.000 0.195 45 E C 0.031 176.655 176.600 0.040 0.000 0.991 45 E CA 1.130 57.547 56.400 0.029 0.000 0.810 45 E CB -0.196 29.520 29.700 0.028 0.000 0.742 45 E HN 0.699 nan 8.360 nan 0.000 0.466 46 D N -2.215 118.219 120.400 0.056 0.000 2.319 46 D HA 0.214 4.857 4.640 0.005 0.000 0.237 46 D C -2.568 173.782 176.300 0.083 0.000 1.353 46 D CA -2.122 51.917 54.000 0.065 0.000 0.992 46 D CB 1.482 42.322 40.800 0.068 0.000 1.368 46 D HN -0.169 nan 8.370 nan 0.000 0.564 47 P HA -0.144 nan 4.420 nan 0.000 0.217 47 P C 1.222 178.603 177.300 0.136 0.000 1.148 47 P CA 0.856 64.008 63.100 0.087 0.000 0.828 47 P CB 0.418 32.164 31.700 0.078 0.000 0.783 48 E N -0.453 119.837 120.200 0.150 0.000 2.273 48 E HA -0.200 4.153 4.350 0.005 0.000 0.198 48 E C 1.739 178.473 176.600 0.224 0.000 1.002 48 E CA 1.030 57.562 56.400 0.220 0.000 0.828 48 E CB -0.940 28.825 29.700 0.108 0.000 0.747 48 E HN 0.508 nan 8.360 nan 0.000 0.491 49 K N -0.046 120.439 120.400 0.142 0.000 2.439 49 K HA -0.066 4.257 4.320 0.005 0.000 0.197 49 K C 2.425 179.100 176.600 0.124 0.000 1.041 49 K CA 1.273 57.618 56.287 0.098 0.000 0.970 49 K CB -0.184 32.420 32.500 0.172 0.000 0.773 49 K HN 0.459 nan 8.250 nan 0.000 0.479 50 T N -1.632 113.001 114.554 0.133 0.000 2.849 50 T HA -0.205 4.148 4.350 0.005 0.000 0.270 50 T C 1.633 176.355 174.700 0.038 0.000 1.066 50 T CA 1.067 63.203 62.100 0.059 0.000 1.130 50 T CB -0.435 68.399 68.868 -0.057 0.000 0.864 50 T HN 0.201 nan 8.240 nan 0.000 0.481 51 Y N 0.597 120.936 120.300 0.065 0.000 2.509 51 Y HA 0.183 4.736 4.550 0.005 0.000 0.293 51 Y C 2.524 178.430 175.900 0.009 0.000 1.133 51 Y CA 0.195 58.360 58.100 0.108 0.000 1.283 51 Y CB -0.030 38.479 38.460 0.082 0.000 1.001 51 Y HN 0.137 nan 8.280 nan 0.000 0.555 52 V N -2.406 117.500 119.914 -0.014 0.000 2.795 52 V HA -0.150 3.973 4.120 0.005 0.000 0.243 52 V C 0.795 176.730 176.094 -0.265 0.000 1.069 52 V CA 1.260 63.384 62.300 -0.295 0.000 1.089 52 V CB -0.221 31.212 31.823 -0.650 0.000 0.756 52 V HN 0.253 nan 8.190 nan 0.000 0.471 53 Y N 0.517 120.859 120.300 0.070 0.000 2.444 53 Y HA 0.288 4.841 4.550 0.005 0.000 0.249 53 Y C 1.325 177.264 175.900 0.065 0.000 1.134 53 Y CA 0.003 58.134 58.100 0.052 0.000 1.261 53 Y CB -0.111 38.368 38.460 0.032 0.000 1.143 53 Y HN 0.385 nan 8.280 nan 0.000 0.523 54 T N -4.711 109.973 114.554 0.216 0.000 2.762 54 T HA 0.330 4.683 4.350 0.005 0.000 0.272 54 T C 0.937 175.761 174.700 0.207 0.000 0.982 54 T CA -0.502 61.686 62.100 0.146 0.000 1.013 54 T CB 1.386 70.280 68.868 0.043 0.000 1.309 54 T HN -0.156 nan 8.240 nan 0.000 0.572 55 S N -0.729 115.010 115.700 0.065 0.000 2.603 55 S HA 0.110 4.583 4.470 0.005 0.000 0.220 55 S C 1.779 176.214 174.600 -0.275 0.000 0.967 55 S CA -0.192 57.968 58.200 -0.067 0.000 0.920 55 S CB -0.456 62.664 63.200 -0.133 0.000 0.773 55 S HN 0.681 nan 8.310 nan 0.000 0.529 56 R N 1.491 121.886 120.500 -0.174 0.000 2.200 56 R HA -0.123 4.220 4.340 0.005 0.000 0.234 56 R C 2.076 178.202 176.300 -0.290 0.000 1.127 56 R CA 1.641 57.566 56.100 -0.292 0.000 0.989 56 R CB -0.216 29.853 30.300 -0.385 0.000 0.869 56 R HN 0.770 nan 8.270 nan 0.000 0.459 57 W N -0.668 120.565 121.300 -0.111 0.000 2.611 57 W HA 0.003 4.665 4.660 0.004 0.000 0.251 57 W C 0.152 176.735 176.519 0.106 0.000 1.265 57 W CA 0.402 57.821 57.345 0.125 0.000 1.295 57 W CB -0.340 29.243 29.460 0.204 0.000 1.129 57 W HN 0.109 nan 8.180 nan 0.000 0.630 58 N N 0.851 118.997 118.700 -0.924 0.000 2.232 58 N HA 0.006 4.749 4.740 0.005 0.000 0.240 58 N C -0.671 174.542 175.510 -0.496 0.000 1.307 58 N CA 0.407 52.903 53.050 -0.924 0.000 0.859 58 N CB 0.285 37.661 38.487 -1.852 0.000 1.260 58 N HN 0.007 nan 8.380 nan 0.000 0.501 59 T N -1.709 112.656 114.554 -0.315 0.000 2.859 59 T HA 0.730 5.083 4.350 0.005 0.000 0.281 59 T C -0.380 174.328 174.700 0.014 0.000 1.005 59 T CA -0.596 61.428 62.100 -0.127 0.000 1.025 59 T CB 1.861 70.667 68.868 -0.103 0.000 0.977 59 T HN -0.185 nan 8.240 nan 0.000 0.458 60 V N 1.912 121.819 119.914 -0.013 0.000 2.638 60 V HA 0.739 4.862 4.120 0.005 0.000 0.306 60 V C 0.137 176.067 176.094 -0.273 0.000 1.052 60 V CA -1.149 61.042 62.300 -0.182 0.000 0.885 60 V CB 1.777 33.303 31.823 -0.495 0.000 0.999 60 V HN 1.313 nan 8.190 nan 0.000 0.424 61 A N 4.363 126.786 122.820 -0.661 0.000 2.289 61 A HA 0.714 5.037 4.320 0.005 0.000 0.298 61 A C -0.432 176.930 177.584 -0.370 0.000 1.208 61 A CA -0.357 51.190 52.037 -0.817 0.000 0.845 61 A CB 0.798 18.921 19.000 -1.461 0.000 1.125 61 A HN 0.745 nan 8.150 nan 0.000 0.517 62 V N 4.457 124.254 119.914 -0.194 0.000 2.334 62 V HA 0.256 4.379 4.120 0.005 0.000 0.267 62 V C -0.120 175.913 176.094 -0.101 0.000 1.040 62 V CA -0.324 61.921 62.300 -0.091 0.000 0.866 62 V CB 0.819 32.640 31.823 -0.003 0.000 1.019 62 V HN 0.585 nan 8.190 nan 0.000 0.468 63 V N 4.405 124.251 119.914 -0.113 0.000 2.398 63 V HA 0.670 4.793 4.120 0.005 0.000 0.286 63 V C 0.151 176.180 176.094 -0.109 0.000 1.026 63 V CA 0.075 62.305 62.300 -0.117 0.000 0.868 63 V CB 1.686 33.428 31.823 -0.135 0.000 0.982 63 V HN 0.848 nan 8.190 nan 0.000 0.443 64 S N 1.854 117.494 115.700 -0.100 0.000 2.556 64 S HA 0.445 4.918 4.470 0.005 0.000 0.271 64 S C -0.127 174.413 174.600 -0.100 0.000 1.135 64 S CA -0.463 57.675 58.200 -0.103 0.000 0.858 64 S CB 1.947 65.096 63.200 -0.086 0.000 1.114 64 S HN 0.935 nan 8.310 nan 0.000 0.468 65 D N 1.012 121.353 120.400 -0.098 0.000 2.398 65 D HA 0.209 4.852 4.640 0.005 0.000 0.210 65 D C 1.140 177.394 176.300 -0.076 0.000 1.094 65 D CA 0.658 54.606 54.000 -0.088 0.000 0.839 65 D CB -0.263 40.489 40.800 -0.079 0.000 0.963 65 D HN 1.103 nan 8.370 nan 0.000 0.506 66 G N 1.063 109.820 108.800 -0.072 0.000 2.198 66 G HA2 -0.352 3.611 3.960 0.005 0.000 0.260 66 G HA3 -0.352 3.611 3.960 0.005 0.000 0.260 66 G C 0.998 175.873 174.900 -0.042 0.000 1.025 66 G CA 0.862 45.931 45.100 -0.052 0.000 0.769 66 G HN 0.622 nan 8.290 nan 0.000 0.507 67 S N -1.748 113.920 115.700 -0.053 0.000 2.522 67 S HA 0.556 5.029 4.470 0.005 0.000 0.227 67 S C 1.167 175.742 174.600 -0.042 0.000 0.986 67 S CA 1.153 59.326 58.200 -0.046 0.000 0.929 67 S CB 0.545 63.711 63.200 -0.057 0.000 0.769 67 S HN 1.999 nan 8.310 nan 0.000 0.529 68 A N 1.001 123.796 122.820 -0.043 0.000 3.307 68 A HA 0.586 4.909 4.320 0.005 0.000 0.289 68 A C -0.559 177.008 177.584 -0.028 0.000 1.138 68 A CA -0.542 51.474 52.037 -0.034 0.000 0.860 68 A CB 0.529 19.505 19.000 -0.040 0.000 1.318 68 A HN 0.203 nan 8.150 nan 0.000 0.551 69 V N 3.811 123.711 119.914 -0.023 0.000 2.455 69 V HA 0.317 4.440 4.120 0.005 0.000 0.273 69 V C 1.334 177.418 176.094 -0.016 0.000 1.045 69 V CA 0.261 62.548 62.300 -0.021 0.000 0.976 69 V CB -0.101 31.711 31.823 -0.019 0.000 0.993 69 V HN 0.907 nan 8.190 nan 0.000 0.475 70 L N 4.116 125.329 121.223 -0.017 0.000 6.032 70 L HA -0.300 4.043 4.340 0.005 0.000 0.053 70 L C 1.830 178.694 176.870 -0.009 0.000 2.286 70 L CA 1.475 56.308 54.840 -0.012 0.000 1.682 70 L CB -1.502 40.552 42.059 -0.008 0.000 2.737 70 L HN 0.751 nan 8.230 nan 0.000 0.986 71 G N -0.837 107.961 108.800 -0.004 0.000 3.042 71 G HA2 0.374 4.337 3.960 0.005 0.000 0.212 71 G HA3 0.374 4.337 3.960 0.005 0.000 0.212 71 G C 1.058 175.957 174.900 -0.001 0.000 1.166 71 G CA 0.325 45.425 45.100 0.000 0.000 0.767 71 G HN 0.333 nan 8.290 nan 0.000 0.546 72 L N -0.299 120.921 121.223 -0.004 0.000 2.477 72 L HA 0.319 4.662 4.340 0.005 0.000 0.220 72 L C 1.724 178.592 176.870 -0.004 0.000 1.106 72 L CA 0.451 55.289 54.840 -0.004 0.000 0.851 72 L CB -0.272 41.783 42.059 -0.006 0.000 0.994 72 L HN 0.354 nan 8.230 nan 0.000 0.462 73 G N 0.960 109.756 108.800 -0.007 0.000 2.484 73 G HA2 -0.313 3.650 3.960 0.005 0.000 0.225 73 G HA3 -0.313 3.650 3.960 0.005 0.000 0.225 73 G C -0.235 174.658 174.900 -0.011 0.000 1.250 73 G CA -0.090 45.005 45.100 -0.008 0.000 0.926 73 G HN 0.230 nan 8.290 nan 0.000 0.581 74 N N 1.834 120.529 118.700 -0.009 0.000 3.034 74 N HA 0.351 5.094 4.740 0.005 0.000 0.265 74 N C 1.569 177.078 175.510 -0.002 0.000 1.166 74 N CA 0.200 53.244 53.050 -0.010 0.000 1.081 74 N CB -0.510 37.971 38.487 -0.010 0.000 1.378 74 N HN 0.863 nan 8.380 nan 0.000 0.520 75 I N -1.237 119.333 120.570 -0.000 0.000 3.603 75 I HA 0.427 4.600 4.170 0.005 0.000 0.297 75 I C 0.849 176.981 176.117 0.026 0.000 1.269 75 I CA -0.035 61.272 61.300 0.012 0.000 1.361 75 I CB -0.237 37.769 38.000 0.009 0.000 1.063 75 I HN 0.308 nan 8.210 nan 0.000 0.448 76 G N 2.247 111.054 108.800 0.012 0.000 2.655 76 G HA2 -0.147 3.816 3.960 0.005 0.000 0.680 76 G HA3 -0.147 3.816 3.960 0.005 0.000 0.680 76 G C -2.401 172.492 174.900 -0.012 0.000 1.302 76 G CA -0.201 44.908 45.100 0.015 0.000 0.872 76 G HN 0.049 nan 8.290 nan 0.000 0.540 77 P HA -0.040 nan 4.420 nan 0.000 0.219 77 P C 1.299 178.468 177.300 -0.218 0.000 1.150 77 P CA 1.651 64.634 63.100 -0.194 0.000 0.814 77 P CB -0.014 31.485 31.700 -0.334 0.000 0.787 78 Y N 0.682 120.974 120.300 -0.015 0.000 2.220 78 Y HA 0.037 4.590 4.550 0.005 0.000 0.291 78 Y C 2.968 178.857 175.900 -0.019 0.000 1.129 78 Y CA 1.671 59.762 58.100 -0.014 0.000 1.161 78 Y CB -1.607 36.847 38.460 -0.011 0.000 0.997 78 Y HN -0.037 nan 8.280 nan 0.000 0.522 79 G N -0.352 108.522 108.800 0.124 0.000 2.422 79 G HA2 -0.215 3.748 3.960 0.005 0.000 0.218 79 G HA3 -0.215 3.748 3.960 0.005 0.000 0.218 79 G C 1.865 176.774 174.900 0.014 0.000 1.146 79 G CA 0.916 46.047 45.100 0.051 0.000 0.769 79 G HN 0.459 nan 8.290 nan 0.000 0.547 80 A N 0.231 123.049 122.820 -0.004 0.000 2.015 80 A HA 0.149 4.472 4.320 0.005 0.000 0.219 80 A C 2.277 179.844 177.584 -0.028 0.000 1.163 80 A CA 1.396 53.417 52.037 -0.027 0.000 0.646 80 A CB -0.304 18.667 19.000 -0.050 0.000 0.806 80 A HN 0.384 nan 8.150 nan 0.000 0.448 81 L N 0.620 121.828 121.223 -0.025 0.000 2.012 81 L HA -0.064 4.279 4.340 0.005 0.000 0.210 81 L C -0.783 176.082 176.870 -0.007 0.000 1.073 81 L CA 2.456 57.279 54.840 -0.028 0.000 0.748 81 L CB -1.182 40.868 42.059 -0.015 0.000 0.891 81 L HN 0.193 nan 8.230 nan 0.000 0.431 82 P HA -0.049 nan 4.420 nan 0.000 0.221 82 P C 0.831 178.159 177.300 0.045 0.000 1.150 82 P CA 0.653 63.780 63.100 0.046 0.000 0.800 82 P CB -0.070 31.641 31.700 0.017 0.000 0.787 86 G N 1.918 110.764 108.800 0.078 0.000 2.418 86 G HA2 -0.311 3.652 3.960 0.005 0.000 0.217 86 G HA3 -0.311 3.652 3.960 0.005 0.000 0.217 86 G C 1.510 176.518 174.900 0.179 0.000 1.158 86 G CA 1.555 46.716 45.100 0.101 0.000 0.771 86 G HN 0.011 nan 8.290 nan 0.000 0.545 87 K N 0.610 121.076 120.400 0.110 0.000 2.057 87 K HA 0.074 4.397 4.320 0.005 0.000 0.207 87 K C 2.786 179.525 176.600 0.232 0.000 1.049 87 K CA 1.383 57.722 56.287 0.086 0.000 0.931 87 K CB -0.400 32.093 32.500 -0.012 0.000 0.714 87 K HN 0.206 nan 8.250 nan 0.000 0.440 88 A N 0.204 123.169 122.820 0.241 0.000 1.908 88 A HA -0.182 4.141 4.320 0.005 0.000 0.218 88 A C 2.094 179.857 177.584 0.299 0.000 1.181 88 A CA 1.626 53.831 52.037 0.281 0.000 0.627 88 A CB -0.921 18.154 19.000 0.125 0.000 0.818 88 A HN 0.510 nan 8.150 nan 0.000 0.445 89 F N 0.763 120.783 119.950 0.116 0.000 2.095 89 F HA -0.187 4.343 4.527 0.005 0.000 0.298 89 F C 1.896 177.782 175.800 0.143 0.000 1.104 89 F CA 1.886 59.944 58.000 0.098 0.000 1.232 89 F CB -0.263 38.774 39.000 0.061 0.000 0.987 89 F HN 0.154 nan 8.300 nan 0.000 0.475 90 L N -1.168 120.304 121.223 0.414 0.000 2.046 90 L HA -0.229 4.114 4.340 0.005 0.000 0.208 90 L C 2.462 179.495 176.870 0.271 0.000 1.077 90 L CA 1.213 56.274 54.840 0.368 0.000 0.747 90 L CB -0.956 41.340 42.059 0.396 0.000 0.896 90 L HN 0.116 nan 8.230 nan 0.000 0.432 91 F N 0.810 120.914 119.950 0.258 0.000 2.095 91 F HA -0.256 4.274 4.527 0.005 0.000 0.298 91 F C 2.653 178.474 175.800 0.036 0.000 1.104 91 F CA 1.724 59.838 58.000 0.190 0.000 1.232 91 F CB -0.372 38.711 39.000 0.137 0.000 0.987 91 F HN -0.052 nan 8.300 nan 0.000 0.475 92 K N 0.461 120.955 120.400 0.156 0.000 2.057 92 K HA -0.052 4.271 4.320 0.005 0.000 0.206 92 K C 2.035 178.539 176.600 -0.160 0.000 1.050 92 K CA 1.437 57.707 56.287 -0.028 0.000 0.935 92 K CB -0.637 31.802 32.500 -0.102 0.000 0.715 92 K HN 0.130 nan 8.250 nan 0.000 0.439 93 A N -1.015 121.621 122.820 -0.307 0.000 1.929 93 A HA 0.037 4.360 4.320 0.005 0.000 0.216 93 A C 1.767 179.033 177.584 -0.531 0.000 1.176 93 A CA 1.079 52.807 52.037 -0.515 0.000 0.628 93 A CB -0.464 18.071 19.000 -0.775 0.000 0.816 93 A HN 0.326 nan 8.150 nan 0.000 0.444 94 F N -1.801 117.997 119.950 -0.254 0.000 2.717 94 F HA 0.407 4.937 4.527 0.005 0.000 0.295 94 F C 1.985 177.617 175.800 -0.280 0.000 1.117 94 F CA 0.718 58.499 58.000 -0.365 0.000 1.361 94 F CB 0.545 39.159 39.000 -0.643 0.000 1.112 94 F HN 0.239 nan 8.300 nan 0.000 0.594 95 A N -1.358 121.468 122.820 0.011 0.000 2.600 95 A HA 0.266 4.589 4.320 0.005 0.000 0.252 95 A C 0.595 178.185 177.584 0.011 0.000 1.200 95 A CA 0.388 52.443 52.037 0.030 0.000 0.981 95 A CB 0.060 19.145 19.000 0.142 0.000 1.207 95 A HN 0.125 nan 8.150 nan 0.000 0.577 96 D N -0.718 119.674 120.400 -0.013 0.000 3.012 96 D HA -0.151 4.492 4.640 0.005 0.000 0.222 96 D C -0.293 175.991 176.300 -0.027 0.000 1.167 96 D CA 0.819 54.802 54.000 -0.028 0.000 0.854 96 D CB -1.639 39.146 40.800 -0.024 0.000 1.107 96 D HN 0.535 nan 8.370 nan 0.000 0.421 97 I N 0.787 121.365 120.570 0.014 0.000 2.428 97 I HA 0.117 4.290 4.170 0.005 0.000 0.289 97 I C 0.437 176.520 176.117 -0.055 0.000 1.019 97 I CA -0.497 60.774 61.300 -0.049 0.000 1.351 97 I CB 0.882 38.874 38.000 -0.013 0.000 1.412 97 I HN -0.114 nan 8.210 nan 0.000 0.513 98 D N 6.853 127.176 120.400 -0.127 0.000 2.402 98 D HA 0.349 4.992 4.640 0.005 0.000 0.235 98 D C -0.022 176.260 176.300 -0.031 0.000 1.226 98 D CA 0.123 54.085 54.000 -0.062 0.000 0.918 98 D CB 1.024 41.769 40.800 -0.093 0.000 1.043 98 D HN 0.507 nan 8.370 nan 0.000 0.506 99 A N 2.371 125.195 122.820 0.008 0.000 2.312 99 A HA 0.700 5.023 4.320 0.005 0.000 0.328 99 A C -0.965 176.711 177.584 0.153 0.000 1.158 99 A CA -0.632 51.398 52.037 -0.012 0.000 0.821 99 A CB 0.900 19.848 19.000 -0.088 0.000 1.170 99 A HN 0.413 nan 8.150 nan 0.000 0.490 100 F N 2.898 122.845 119.950 -0.005 0.000 2.557 100 F HA 0.558 5.088 4.527 0.005 0.000 0.316 100 F C -2.524 173.276 175.800 -0.000 0.000 1.141 100 F CA -2.211 55.817 58.000 0.048 0.000 0.922 100 F CB 2.793 41.881 39.000 0.148 0.000 1.194 100 F HN 0.328 nan 8.300 nan 0.000 0.443 101 P HA 0.322 nan 4.420 nan 0.000 0.282 101 P C -0.672 176.617 177.300 -0.018 0.000 1.262 101 P CA 0.194 63.208 63.100 -0.145 0.000 0.773 101 P CB 1.123 32.699 31.700 -0.207 0.000 0.879 102 I N 4.146 124.718 120.570 0.003 0.000 2.502 102 I HA 0.193 4.366 4.170 0.005 0.000 0.276 102 I C -0.475 175.616 176.117 -0.043 0.000 1.057 102 I CA -0.318 60.998 61.300 0.025 0.000 1.163 102 I CB 0.609 38.623 38.000 0.025 0.000 1.288 102 I HN 0.235 nan 8.210 nan 0.000 0.479 103 C N 6.784 126.047 119.300 -0.062 0.000 2.255 103 C HA 0.529 4.992 4.460 0.005 0.000 0.326 103 C C 0.285 175.199 174.990 -0.127 0.000 1.258 103 C CA -0.684 58.270 59.018 -0.107 0.000 1.676 103 C CB -0.039 27.618 27.740 -0.138 0.000 2.314 103 C HN 0.511 nan 8.230 nan 0.000 0.509 104 L N 3.739 124.893 121.223 -0.115 0.000 2.309 104 L HA 0.385 4.728 4.340 0.005 0.000 0.282 104 L C 0.901 177.702 176.870 -0.115 0.000 1.036 104 L CA 0.064 54.845 54.840 -0.098 0.000 0.806 104 L CB 1.691 43.708 42.059 -0.071 0.000 1.220 104 L HN 0.767 nan 8.230 nan 0.000 0.429 105 S N 0.202 115.841 115.700 -0.101 0.000 2.699 105 S HA 0.247 4.720 4.470 0.005 0.000 0.251 105 S C -0.165 174.413 174.600 -0.036 0.000 1.179 105 S CA -0.526 57.629 58.200 -0.076 0.000 1.200 105 S CB -0.338 62.831 63.200 -0.051 0.000 0.848 105 S HN 0.623 nan 8.310 nan 0.000 0.472 106 E N 0.924 121.100 120.200 -0.041 0.000 2.275 106 E HA 0.552 4.905 4.350 0.005 0.000 0.270 106 E C 0.162 176.741 176.600 -0.036 0.000 0.882 106 E CA -0.424 55.959 56.400 -0.028 0.000 0.758 106 E CB 1.791 31.477 29.700 -0.024 0.000 1.195 106 E HN 0.141 nan 8.360 nan 0.000 0.419 107 S N 1.301 116.984 115.700 -0.029 0.000 2.687 107 S HA 0.156 4.629 4.470 0.005 0.000 0.247 107 S C -0.063 174.519 174.600 -0.029 0.000 1.050 107 S CA -0.400 57.780 58.200 -0.035 0.000 1.063 107 S CB 0.230 63.412 63.200 -0.031 0.000 1.039 107 S HN 0.237 nan 8.310 nan 0.000 0.580 108 E N 1.904 122.092 120.200 -0.020 0.000 2.376 108 E HA 0.188 4.541 4.350 0.005 0.000 0.266 108 E C 0.708 177.296 176.600 -0.020 0.000 1.009 108 E CA 0.076 56.467 56.400 -0.015 0.000 0.902 108 E CB 0.759 30.455 29.700 -0.007 0.000 0.972 108 E HN 0.581 nan 8.360 nan 0.000 0.439 109 E N 2.050 122.239 120.200 -0.019 0.000 2.048 109 E HA -0.252 4.101 4.350 0.005 0.000 0.202 109 E C 1.975 178.565 176.600 -0.016 0.000 1.021 109 E CA 1.885 58.272 56.400 -0.022 0.000 0.825 109 E CB -0.025 29.670 29.700 -0.007 0.000 0.756 109 E HN 0.447 nan 8.360 nan 0.000 0.454 110 E N 0.466 120.663 120.200 -0.006 0.000 2.118 110 E HA -0.179 4.174 4.350 0.005 0.000 0.195 110 E C 1.975 178.572 176.600 -0.005 0.000 0.992 110 E CA 1.033 57.432 56.400 -0.001 0.000 0.804 110 E CB -0.138 29.564 29.700 0.004 0.000 0.741 110 E HN 0.242 nan 8.360 nan 0.000 0.458 111 K N 0.293 120.689 120.400 -0.008 0.000 2.025 111 K HA -0.023 4.300 4.320 0.005 0.000 0.207 111 K C 2.336 178.927 176.600 -0.015 0.000 1.049 111 K CA 0.795 57.077 56.287 -0.009 0.000 0.933 111 K CB -0.150 32.344 32.500 -0.008 0.000 0.714 111 K HN 0.052 nan 8.250 nan 0.000 0.438 112 I N 1.097 121.652 120.570 -0.025 0.000 2.118 112 I HA -0.339 3.834 4.170 0.005 0.000 0.241 112 I C 2.208 178.307 176.117 -0.030 0.000 1.070 112 I CA 1.449 62.727 61.300 -0.036 0.000 1.327 112 I CB -0.357 37.610 38.000 -0.056 0.000 1.034 112 I HN 0.135 nan 8.210 nan 0.000 0.405 113 I N 0.625 121.180 120.570 -0.024 0.000 2.163 113 I HA -0.336 3.837 4.170 0.005 0.000 0.243 113 I C 2.751 178.865 176.117 -0.006 0.000 1.085 113 I CA 2.016 63.306 61.300 -0.016 0.000 1.347 113 I CB -0.420 37.575 38.000 -0.007 0.000 1.044 113 I HN 0.354 nan 8.210 nan 0.000 0.408 114 S N 0.678 116.377 115.700 -0.003 0.000 2.428 114 S HA -0.061 4.412 4.470 0.005 0.000 0.230 114 S C 1.951 176.554 174.600 0.004 0.000 1.014 114 S CA 0.661 58.864 58.200 0.004 0.000 0.957 114 S CB -0.726 62.476 63.200 0.005 0.000 0.784 114 S HN 0.395 nan 8.310 nan 0.000 0.499 115 I N 1.482 122.051 120.570 -0.001 0.000 2.202 115 I HA -0.115 4.058 4.170 0.005 0.000 0.242 115 I C 2.417 178.537 176.117 0.006 0.000 1.091 115 I CA 0.993 62.294 61.300 0.002 0.000 1.368 115 I CB -0.393 37.603 38.000 -0.006 0.000 1.058 115 I HN 0.196 nan 8.210 nan 0.000 0.410 116 V N 0.697 120.607 119.914 -0.006 0.000 2.427 116 V HA -0.245 3.878 4.120 0.005 0.000 0.248 116 V C 2.355 178.459 176.094 0.016 0.000 1.051 116 V CA 1.649 63.945 62.300 -0.007 0.000 1.048 116 V CB -0.747 31.056 31.823 -0.033 0.000 0.666 116 V HN 0.370 nan 8.190 nan 0.000 0.456 117 K N 1.152 121.562 120.400 0.016 0.000 2.113 117 K HA -0.197 4.126 4.320 0.005 0.000 0.208 117 K C 2.352 178.974 176.600 0.036 0.000 1.047 117 K CA 1.845 58.148 56.287 0.027 0.000 0.928 117 K CB -0.410 32.103 32.500 0.022 0.000 0.716 117 K HN 0.636 nan 8.250 nan 0.000 0.446 118 S N 0.923 116.642 115.700 0.032 0.000 2.474 118 S HA -0.054 4.419 4.470 0.005 0.000 0.235 118 S C 1.754 176.383 174.600 0.048 0.000 0.997 118 S CA 0.713 58.932 58.200 0.033 0.000 0.949 118 S CB -0.319 62.896 63.200 0.024 0.000 0.766 118 S HN 0.222 nan 8.310 nan 0.000 0.517 119 L N 0.955 122.225 121.223 0.078 0.000 2.558 119 L HA 0.208 4.551 4.340 0.005 0.000 0.225 119 L C 2.585 179.558 176.870 0.171 0.000 1.128 119 L CA 0.654 55.583 54.840 0.149 0.000 0.868 119 L CB -0.491 41.710 42.059 0.236 0.000 1.006 119 L HN 0.423 nan 8.230 nan 0.000 0.454 120 E N 1.573 121.838 120.200 0.108 0.000 2.097 120 E HA -0.229 4.124 4.350 0.005 0.000 0.196 120 E C -0.658 175.978 176.600 0.061 0.000 1.000 120 E CA 1.584 58.044 56.400 0.101 0.000 0.804 120 E CB -0.484 29.258 29.700 0.071 0.000 0.740 120 E HN 0.298 nan 8.360 nan 0.000 0.454 121 P HA -0.064 nan 4.420 nan 0.000 0.221 121 P C 0.782 178.006 177.300 -0.126 0.000 1.145 121 P CA 1.202 64.276 63.100 -0.043 0.000 0.795 121 P CB 0.159 31.835 31.700 -0.040 0.000 0.775 122 S N -2.220 113.375 115.700 -0.175 0.000 2.548 122 S HA 0.193 4.666 4.470 0.005 0.000 0.215 122 S C 0.223 174.347 174.600 -0.794 0.000 0.976 122 S CA 0.339 58.240 58.200 -0.498 0.000 0.908 122 S CB -0.259 62.560 63.200 -0.635 0.000 0.781 122 S HN 0.019 nan 8.310 nan 0.000 0.519 123 F N -0.872 119.004 119.950 -0.123 0.000 2.613 123 F HA 0.564 5.095 4.527 0.005 0.000 0.310 123 F C 1.063 176.783 175.800 -0.133 0.000 1.085 123 F CA -1.133 56.789 58.000 -0.130 0.000 0.945 123 F CB 1.123 40.069 39.000 -0.090 0.000 1.298 123 F HN -0.092 nan 8.300 nan 0.000 0.455 124 G N 0.084 108.922 108.800 0.062 0.000 2.838 124 G HA2 0.464 4.427 3.960 0.005 0.000 0.210 124 G HA3 0.464 4.427 3.960 0.005 0.000 0.210 124 G C 0.232 175.203 174.900 0.119 0.000 1.153 124 G CA 0.426 45.560 45.100 0.058 0.000 0.778 124 G HN 0.989 nan 8.290 nan 0.000 0.539 125 G N -0.542 108.306 108.800 0.081 0.000 2.632 125 G HA2 0.470 4.433 3.960 0.005 0.000 0.292 125 G HA3 0.470 4.433 3.960 0.005 0.000 0.292 125 G C -1.794 173.078 174.900 -0.047 0.000 1.465 125 G CA -0.647 44.474 45.100 0.036 0.000 0.824 125 G HN -0.026 nan 8.290 nan 0.000 0.509 126 I N 1.347 121.899 120.570 -0.029 0.000 2.436 126 I HA 0.363 4.536 4.170 0.005 0.000 0.289 126 I C -0.459 175.658 176.117 0.001 0.000 1.010 126 I CA -0.822 60.426 61.300 -0.088 0.000 1.098 126 I CB 1.667 39.633 38.000 -0.057 0.000 1.266 126 I HN 0.615 nan 8.210 nan 0.000 0.434 127 N N 7.552 126.235 118.700 -0.028 0.000 2.546 127 N HA 0.380 5.123 4.740 0.005 0.000 0.238 127 N C -0.927 174.597 175.510 0.023 0.000 0.984 127 N CA -0.520 52.593 53.050 0.103 0.000 0.935 127 N CB 0.994 39.591 38.487 0.182 0.000 1.122 127 N HN 0.488 nan 8.380 nan 0.000 0.510 128 L N 2.145 123.371 121.223 0.004 0.000 2.416 128 L HA 0.239 4.582 4.340 0.005 0.000 0.272 128 L C 0.153 177.002 176.870 -0.034 0.000 1.161 128 L CA 0.251 55.021 54.840 -0.116 0.000 0.845 128 L CB 0.700 42.585 42.059 -0.290 0.000 1.119 128 L HN 0.622 nan 8.230 nan 0.000 0.464 129 E N 1.733 121.883 120.200 -0.083 0.000 2.321 129 E HA 0.222 4.575 4.350 0.005 0.000 0.281 129 E C -1.368 175.208 176.600 -0.040 0.000 0.910 129 E CA -0.486 55.914 56.400 -0.000 0.000 0.770 129 E CB 1.117 30.803 29.700 -0.024 0.000 1.225 129 E HN 0.521 nan 8.360 nan 0.000 0.417 130 D N 2.499 122.913 120.400 0.023 0.000 2.716 130 D HA -0.177 4.466 4.640 0.005 0.000 0.239 130 D C -0.792 175.473 176.300 -0.059 0.000 1.125 130 D CA 1.106 55.099 54.000 -0.012 0.000 0.681 130 D CB -1.181 39.600 40.800 -0.030 0.000 1.070 130 D HN 0.442 nan 8.370 nan 0.000 0.432 131 I N 0.243 120.755 120.570 -0.096 0.000 2.378 131 I HA 0.414 4.587 4.170 0.005 0.000 0.291 131 I C 1.581 177.616 176.117 -0.137 0.000 0.992 131 I CA -0.840 60.364 61.300 -0.161 0.000 1.154 131 I CB 1.781 39.607 38.000 -0.290 0.000 1.315 131 I HN 0.073 nan 8.210 nan 0.000 0.448 132 G N 4.209 112.938 108.800 -0.119 0.000 2.614 132 G HA2 0.430 4.393 3.960 0.005 0.000 0.239 132 G HA3 0.430 4.393 3.960 0.005 0.000 0.239 132 G C -0.085 174.702 174.900 -0.188 0.000 1.240 132 G CA -0.273 44.756 45.100 -0.117 0.000 0.842 132 G HN 0.760 nan 8.290 nan 0.000 0.584 133 A N 1.895 124.588 122.820 -0.211 0.000 2.293 133 A HA 0.709 5.032 4.320 0.005 0.000 0.302 133 A C -0.772 176.727 177.584 -0.141 0.000 1.119 133 A CA -1.203 50.642 52.037 -0.320 0.000 0.823 133 A CB 1.125 19.900 19.000 -0.376 0.000 1.097 133 A HN 0.562 nan 8.150 nan 0.000 0.491 134 P HA 0.034 nan 4.420 nan 0.000 0.255 134 P C 0.801 177.981 177.300 -0.200 0.000 1.248 134 P CA 0.283 63.285 63.100 -0.163 0.000 0.807 134 P CB 0.145 31.872 31.700 0.046 0.000 1.150 135 K N 0.700 121.017 120.400 -0.139 0.000 2.152 135 K HA -0.162 4.161 4.320 0.005 0.000 0.206 135 K C 1.882 178.381 176.600 -0.168 0.000 1.048 135 K CA 1.829 58.056 56.287 -0.100 0.000 0.933 135 K CB -1.521 30.934 32.500 -0.075 0.000 0.721 135 K HN 0.266 nan 8.250 nan 0.000 0.447 136 C N -0.360 118.759 119.300 -0.302 0.000 2.437 136 C HA 0.114 4.577 4.460 0.005 0.000 0.283 136 C C 2.112 176.927 174.990 -0.291 0.000 1.424 136 C CA -0.513 58.306 59.018 -0.333 0.000 1.782 136 C CB -1.427 26.091 27.740 -0.370 0.000 1.833 136 C HN 0.293 nan 8.230 nan 0.000 0.532 137 F N 1.728 121.532 119.950 -0.244 0.000 2.084 137 F HA 0.062 4.592 4.527 0.005 0.000 0.296 137 F C 2.941 178.677 175.800 -0.106 0.000 1.111 137 F CA 1.712 59.546 58.000 -0.275 0.000 1.224 137 F CB -0.758 37.803 39.000 -0.733 0.000 0.991 137 F HN 0.083 nan 8.300 nan 0.000 0.471 138 R N 0.053 120.626 120.500 0.121 0.000 2.075 138 R HA -0.106 4.237 4.340 0.005 0.000 0.232 138 R C 2.243 178.571 176.300 0.046 0.000 1.126 138 R CA 1.449 57.614 56.100 0.108 0.000 0.963 138 R CB -0.578 29.785 30.300 0.104 0.000 0.858 138 R HN 0.282 nan 8.270 nan 0.000 0.435 139 I N 0.435 120.998 120.570 -0.010 0.000 2.179 139 I HA -0.290 3.883 4.170 0.005 0.000 0.242 139 I C 2.277 178.378 176.117 -0.026 0.000 1.088 139 I CA 0.843 62.119 61.300 -0.040 0.000 1.357 139 I CB -0.255 37.682 38.000 -0.104 0.000 1.051 139 I HN 0.144 nan 8.210 nan 0.000 0.409 140 L N 0.549 121.757 121.223 -0.025 0.000 2.012 140 L HA -0.272 4.071 4.340 0.005 0.000 0.210 140 L C 2.518 179.425 176.870 0.061 0.000 1.073 140 L CA 1.927 56.778 54.840 0.018 0.000 0.748 140 L CB -0.901 41.194 42.059 0.060 0.000 0.891 140 L HN 0.286 nan 8.230 nan 0.000 0.431 141 Q N -1.017 118.835 119.800 0.087 0.000 2.061 141 Q HA -0.225 4.118 4.340 0.005 0.000 0.204 141 Q C 2.333 178.375 176.000 0.069 0.000 0.984 141 Q CA 1.576 57.436 55.803 0.095 0.000 0.846 141 Q CB -0.044 28.763 28.738 0.115 0.000 0.902 141 Q HN 0.451 nan 8.270 nan 0.000 0.421 142 R N 0.098 120.631 120.500 0.055 0.000 2.066 142 R HA -0.085 4.258 4.340 0.005 0.000 0.232 142 R C 2.424 178.746 176.300 0.037 0.000 1.131 142 R CA 1.028 57.154 56.100 0.042 0.000 0.955 142 R CB -0.681 29.638 30.300 0.032 0.000 0.851 142 R HN 0.369 nan 8.270 nan 0.000 0.432 143 L N 0.881 122.122 121.223 0.030 0.000 2.056 143 L HA -0.148 4.195 4.340 0.005 0.000 0.207 143 L C 2.505 179.402 176.870 0.046 0.000 1.078 143 L CA 1.539 56.397 54.840 0.029 0.000 0.749 143 L CB -0.561 41.505 42.059 0.012 0.000 0.901 143 L HN 0.215 nan 8.230 nan 0.000 0.433 144 S N -0.213 115.522 115.700 0.058 0.000 2.383 144 S HA -0.175 4.298 4.470 0.005 0.000 0.227 144 S C 2.156 176.795 174.600 0.065 0.000 1.026 144 S CA 1.285 59.529 58.200 0.073 0.000 0.981 144 S CB -0.685 62.569 63.200 0.091 0.000 0.818 144 S HN 0.565 nan 8.310 nan 0.000 0.472 145 E N 2.034 122.268 120.200 0.058 0.000 2.107 145 E HA 0.018 4.371 4.350 0.005 0.000 0.191 145 E C 1.043 177.670 176.600 0.045 0.000 0.982 145 E CA 1.054 57.485 56.400 0.051 0.000 0.809 145 E CB -0.456 29.273 29.700 0.048 0.000 0.756 145 E HN 0.850 nan 8.360 nan 0.000 0.459 149 I N -2.671 117.966 120.570 0.112 0.000 2.846 149 I HA 0.768 4.941 4.170 0.005 0.000 0.307 149 I C -2.556 173.627 176.117 0.109 0.000 1.053 149 I CA -2.419 58.960 61.300 0.132 0.000 1.050 149 I CB 1.696 39.781 38.000 0.142 0.000 1.239 149 I HN -0.270 nan 8.210 nan 0.000 0.439 150 P HA 0.139 nan 4.420 nan 0.000 0.268 150 P C -0.766 176.608 177.300 0.123 0.000 1.205 150 P CA -0.059 63.112 63.100 0.118 0.000 0.771 150 P CB 1.408 33.179 31.700 0.118 0.000 0.858 151 V N 4.184 124.185 119.914 0.146 0.000 2.487 151 V HA 0.467 4.590 4.120 0.005 0.000 0.298 151 V C -0.544 175.700 176.094 0.251 0.000 1.028 151 V CA -0.419 61.971 62.300 0.150 0.000 0.860 151 V CB 1.364 33.244 31.823 0.096 0.000 0.991 151 V HN 0.475 nan 8.190 nan 0.000 0.427 152 F N 3.741 123.740 119.950 0.082 0.000 2.547 152 F HA 0.526 5.056 4.527 0.004 0.000 0.316 152 F C -0.472 175.416 175.800 0.146 0.000 1.121 152 F CA -0.492 57.581 58.000 0.122 0.000 0.911 152 F CB 1.615 40.700 39.000 0.142 0.000 1.179 152 F HN 0.636 nan 8.300 nan 0.000 0.443 153 H N 6.547 125.318 119.070 -0.499 0.000 2.673 153 H HA 0.192 4.751 4.556 0.005 0.000 0.293 153 H C 0.370 175.291 175.328 -0.678 0.000 1.065 153 H CA -0.605 55.186 56.048 -0.428 0.000 1.236 153 H CB 0.856 30.454 29.762 -0.272 0.000 1.389 153 H HN 0.787 nan 8.280 nan 0.000 0.481 154 D N 3.794 123.945 120.400 -0.414 0.000 2.177 154 D HA -0.211 4.432 4.640 0.005 0.000 0.189 154 D C 0.725 176.757 176.300 -0.446 0.000 1.002 154 D CA 2.058 55.850 54.000 -0.346 0.000 0.845 154 D CB 0.190 40.923 40.800 -0.111 0.000 0.960 154 D HN 0.747 nan 8.370 nan 0.000 0.447 155 D N 0.112 120.179 120.400 -0.554 0.000 2.263 155 D HA -0.111 4.532 4.640 0.005 0.000 0.208 155 D C 2.000 177.982 176.300 -0.529 0.000 0.971 155 D CA 0.744 54.462 54.000 -0.471 0.000 0.867 155 D CB -0.202 40.380 40.800 -0.364 0.000 0.929 155 D HN 0.420 nan 8.370 nan 0.000 0.492 156 Q N -0.060 119.287 119.800 -0.755 0.000 2.019 156 Q HA 0.050 4.393 4.340 0.005 0.000 0.195 156 Q C 2.152 177.959 176.000 -0.322 0.000 0.981 156 Q CA 0.603 56.155 55.803 -0.418 0.000 0.832 156 Q CB -0.043 28.512 28.738 -0.305 0.000 0.902 156 Q HN 0.235 nan 8.270 nan 0.000 0.461 157 Q N -0.034 119.528 119.800 -0.398 0.000 2.137 157 Q HA -0.014 4.329 4.340 0.005 0.000 0.198 157 Q C 2.019 177.910 176.000 -0.182 0.000 0.960 157 Q CA 1.030 56.673 55.803 -0.267 0.000 0.847 157 Q CB -0.094 28.491 28.738 -0.254 0.000 0.915 157 Q HN 0.427 nan 8.270 nan 0.000 0.448 158 G N 0.609 109.286 108.800 -0.204 0.000 2.433 158 G HA2 -0.256 3.707 3.960 0.005 0.000 0.216 158 G HA3 -0.256 3.707 3.960 0.005 0.000 0.216 158 G C 1.410 176.292 174.900 -0.029 0.000 1.186 158 G CA 1.405 46.581 45.100 0.125 0.000 0.779 158 G HN 0.261 nan 8.290 nan 0.000 0.543 159 T N 1.844 116.322 114.554 -0.127 0.000 2.720 159 T HA -0.029 4.324 4.350 0.005 0.000 0.268 159 T C 2.784 177.362 174.700 -0.203 0.000 1.037 159 T CA 1.636 63.655 62.100 -0.135 0.000 1.144 159 T CB -0.422 68.361 68.868 -0.142 0.000 0.864 159 T HN 0.383 nan 8.240 nan 0.000 0.444 160 A N 0.990 123.599 122.820 -0.351 0.000 1.902 160 A HA -0.045 4.277 4.320 0.005 0.000 0.217 160 A C 2.616 179.808 177.584 -0.653 0.000 1.181 160 A CA 1.363 53.013 52.037 -0.645 0.000 0.623 160 A CB -1.069 17.237 19.000 -1.157 0.000 0.818 160 A HN 0.348 nan 8.150 nan 0.000 0.443 161 V N -0.365 119.282 119.914 -0.445 0.000 2.261 161 V HA -0.241 3.882 4.120 0.005 0.000 0.246 161 V C 2.582 178.655 176.094 -0.035 0.000 1.047 161 V CA 2.173 64.402 62.300 -0.118 0.000 1.015 161 V CB -0.720 31.143 31.823 0.067 0.000 0.642 161 V HN 0.385 nan 8.190 nan 0.000 0.446 162 V N -0.563 119.324 119.914 -0.045 0.000 2.453 162 V HA -0.165 3.958 4.120 0.005 0.000 0.247 162 V C 2.375 178.460 176.094 -0.015 0.000 1.048 162 V CA 1.474 63.758 62.300 -0.026 0.000 1.049 162 V CB -0.280 31.518 31.823 -0.041 0.000 0.672 162 V HN 0.400 nan 8.190 nan 0.000 0.457 163 V N -0.022 119.876 119.914 -0.026 0.000 2.343 163 V HA -0.241 3.882 4.120 0.005 0.000 0.247 163 V C 2.565 178.773 176.094 0.191 0.000 1.051 163 V CA 2.343 64.684 62.300 0.069 0.000 1.036 163 V CB -0.664 31.188 31.823 0.048 0.000 0.654 163 V HN 0.556 nan 8.190 nan 0.000 0.451 164 S N 0.137 115.903 115.700 0.110 0.000 2.368 164 S HA -0.140 4.333 4.470 0.005 0.000 0.224 164 S C 2.235 176.989 174.600 0.257 0.000 1.029 164 S CA 1.389 59.711 58.200 0.203 0.000 0.988 164 S CB -0.470 62.865 63.200 0.225 0.000 0.838 164 S HN 0.651 nan 8.310 nan 0.000 0.462 165 A N 1.657 124.578 122.820 0.168 0.000 1.902 165 A HA 0.099 4.422 4.320 0.005 0.000 0.217 165 A C 2.364 180.038 177.584 0.150 0.000 1.181 165 A CA 1.732 53.850 52.037 0.136 0.000 0.623 165 A CB -1.142 17.902 19.000 0.074 0.000 0.818 165 A HN 0.509 nan 8.150 nan 0.000 0.443 166 A N -0.954 121.955 122.820 0.148 0.000 1.883 166 A HA -0.086 4.237 4.320 0.005 0.000 0.217 166 A C 2.076 179.923 177.584 0.438 0.000 1.186 166 A CA 1.714 53.849 52.037 0.163 0.000 0.624 166 A CB -0.789 18.146 19.000 -0.108 0.000 0.822 166 A HN 0.790 nan 8.150 nan 0.000 0.444 167 F N 0.650 120.853 119.950 0.421 0.000 2.095 167 F HA -0.163 4.368 4.527 0.008 0.000 0.298 167 F C 1.898 177.793 175.800 0.158 0.000 1.104 167 F CA 1.850 60.025 58.000 0.292 0.000 1.232 167 F CB -0.344 38.680 39.000 0.039 0.000 0.987 167 F HN 0.145 nan 8.300 nan 0.000 0.475 168 L N 0.307 121.595 121.223 0.108 0.000 2.042 168 L HA -0.282 4.061 4.340 0.005 0.000 0.210 168 L C 2.237 179.083 176.870 -0.040 0.000 1.076 168 L CA 1.508 56.334 54.840 -0.024 0.000 0.749 168 L CB -0.885 41.241 42.059 0.112 0.000 0.893 168 L HN 0.221 nan 8.230 nan 0.000 0.432 169 N N 0.070 118.797 118.700 0.045 0.000 2.171 169 N HA -0.097 4.646 4.740 0.005 0.000 0.184 169 N C 1.888 177.440 175.510 0.070 0.000 1.021 169 N CA 1.420 54.502 53.050 0.053 0.000 0.854 169 N CB -0.344 38.180 38.487 0.061 0.000 0.994 169 N HN 0.277 nan 8.380 nan 0.000 0.426 170 A N 1.068 123.967 122.820 0.132 0.000 1.908 170 A HA -0.120 4.203 4.320 0.005 0.000 0.218 170 A C 2.226 179.900 177.584 0.151 0.000 1.181 170 A CA 1.119 53.266 52.037 0.184 0.000 0.627 170 A CB -0.805 18.415 19.000 0.367 0.000 0.818 170 A HN 0.256 nan 8.150 nan 0.000 0.445 171 L N 0.002 121.236 121.223 0.019 0.000 2.046 171 L HA -0.159 4.184 4.340 0.005 0.000 0.208 171 L C 2.323 179.209 176.870 0.027 0.000 1.077 171 L CA 2.652 57.492 54.840 0.000 0.000 0.747 171 L CB -0.506 41.287 42.059 -0.443 0.000 0.896 171 L HN 0.478 nan 8.230 nan 0.000 0.432 172 K N -0.514 119.892 120.400 0.010 0.000 2.032 172 K HA -0.201 4.122 4.320 0.005 0.000 0.209 172 K C 2.098 178.739 176.600 0.069 0.000 1.048 172 K CA 2.059 58.366 56.287 0.033 0.000 0.927 172 K CB -0.315 32.203 32.500 0.029 0.000 0.712 172 K HN 0.427 nan 8.250 nan 0.000 0.441 173 L N 0.283 121.572 121.223 0.110 0.000 2.083 173 L HA -0.167 4.176 4.340 0.005 0.000 0.209 173 L C 2.513 179.513 176.870 0.216 0.000 1.083 173 L CA 1.419 56.368 54.840 0.182 0.000 0.752 173 L CB -0.588 41.602 42.059 0.218 0.000 0.899 173 L HN 0.293 nan 8.230 nan 0.000 0.433 174 T N -1.162 113.505 114.554 0.189 0.000 2.881 174 T HA -0.172 4.181 4.350 0.005 0.000 0.270 174 T C 0.874 175.563 174.700 -0.019 0.000 1.068 174 T CA 0.978 63.103 62.100 0.043 0.000 1.131 174 T CB -0.079 68.827 68.868 0.064 0.000 0.871 174 T HN 0.396 nan 8.240 nan 0.000 0.479 175 E N -0.327 119.886 120.200 0.021 0.000 3.070 175 E HA -0.151 4.201 4.350 0.005 0.000 0.285 175 E C -0.271 176.334 176.600 0.008 0.000 0.972 175 E CA 0.481 56.885 56.400 0.007 0.000 0.915 175 E CB -0.711 28.980 29.700 -0.015 0.000 1.466 175 E HN 0.484 nan 8.360 nan 0.000 0.432 176 K N 0.473 120.890 120.400 0.028 0.000 2.123 176 K HA 0.394 4.717 4.320 0.005 0.000 0.248 176 K C -0.099 176.530 176.600 0.048 0.000 0.969 176 K CA -0.696 55.617 56.287 0.042 0.000 0.882 176 K CB 1.043 33.590 32.500 0.078 0.000 1.080 176 K HN -0.097 nan 8.250 nan 0.000 0.441 177 K N 1.820 122.249 120.400 0.048 0.000 2.276 177 K HA 0.128 4.451 4.320 0.005 0.000 0.283 177 K C 0.992 177.629 176.600 0.063 0.000 1.044 177 K CA -0.103 56.210 56.287 0.044 0.000 0.944 177 K CB 0.980 33.501 32.500 0.035 0.000 1.012 177 K HN 0.561 nan 8.250 nan 0.000 0.472 178 I N 2.966 123.574 120.570 0.063 0.000 2.286 178 I HA -0.269 3.904 4.170 0.005 0.000 0.248 178 I C 2.142 178.306 176.117 0.079 0.000 1.115 178 I CA 1.488 62.845 61.300 0.095 0.000 1.392 178 I CB 0.138 38.203 38.000 0.109 0.000 1.065 178 I HN 0.684 nan 8.210 nan 0.000 0.418 179 E N 0.468 120.699 120.200 0.051 0.000 2.333 179 E HA -0.256 4.097 4.350 0.005 0.000 0.198 179 E C 1.264 177.887 176.600 0.038 0.000 1.007 179 E CA 1.202 57.622 56.400 0.034 0.000 0.845 179 E CB -0.332 29.381 29.700 0.022 0.000 0.766 179 E HN 0.668 nan 8.360 nan 0.000 0.507 180 E N 0.868 121.099 120.200 0.052 0.000 2.473 180 E HA 0.070 4.423 4.350 0.005 0.000 0.204 180 E C 0.706 177.351 176.600 0.074 0.000 0.994 180 E CA 0.136 56.568 56.400 0.052 0.000 0.945 180 E CB 1.092 30.818 29.700 0.045 0.000 0.990 180 E HN 0.172 nan 8.360 nan 0.000 0.493 181 V N 0.339 120.317 119.914 0.107 0.000 2.732 181 V HA 0.275 4.398 4.120 0.005 0.000 0.297 181 V C -0.114 176.059 176.094 0.132 0.000 1.060 181 V CA -0.797 61.600 62.300 0.162 0.000 1.038 181 V CB 1.312 33.302 31.823 0.279 0.000 1.003 181 V HN -0.039 nan 8.190 nan 0.000 0.481 182 K N 3.239 123.732 120.400 0.154 0.000 2.263 182 K HA 0.655 4.978 4.320 0.005 0.000 0.272 182 K C -1.413 175.291 176.600 0.173 0.000 1.033 182 K CA -0.552 55.806 56.287 0.119 0.000 0.884 182 K CB 1.480 34.038 32.500 0.096 0.000 1.107 182 K HN 0.719 nan 8.250 nan 0.000 0.460 183 V N 5.271 125.244 119.914 0.098 0.000 2.409 183 V HA 0.271 4.394 4.120 0.005 0.000 0.291 183 V C -0.602 175.516 176.094 0.041 0.000 1.020 183 V CA -0.968 61.381 62.300 0.082 0.000 0.848 183 V CB 1.702 33.456 31.823 -0.114 0.000 0.990 183 V HN 0.530 nan 8.190 nan 0.000 0.430 184 V N 6.211 126.182 119.914 0.095 0.000 2.383 184 V HA 0.405 4.528 4.120 0.005 0.000 0.275 184 V C -0.043 176.039 176.094 -0.020 0.000 1.036 184 V CA -0.385 61.968 62.300 0.088 0.000 0.889 184 V CB 1.750 33.704 31.823 0.219 0.000 0.985 184 V HN 0.608 nan 8.190 nan 0.000 0.459 185 V N 4.921 124.805 119.914 -0.050 0.000 2.417 185 V HA 0.440 4.563 4.120 0.005 0.000 0.291 185 V C -0.144 175.920 176.094 -0.050 0.000 1.024 185 V CA -0.649 61.576 62.300 -0.124 0.000 0.861 185 V CB 1.805 33.571 31.823 -0.096 0.000 0.985 185 V HN 0.916 nan 8.190 nan 0.000 0.436 186 N N 2.882 121.523 118.700 -0.097 0.000 2.372 186 N HA 0.681 5.424 4.740 0.005 0.000 0.285 186 N C -0.219 175.330 175.510 0.064 0.000 1.008 186 N CA 0.677 53.765 53.050 0.064 0.000 0.880 186 N CB 1.712 40.356 38.487 0.263 0.000 1.239 186 N HN 1.110 nan 8.380 nan 0.000 0.484 187 G N 2.952 111.815 108.800 0.105 0.000 2.860 187 G HA2 -0.128 3.835 3.960 0.005 0.000 0.547 187 G HA3 -0.128 3.835 3.960 0.005 0.000 0.547 187 G C -0.386 174.594 174.900 0.134 0.000 1.103 187 G CA -0.567 44.602 45.100 0.115 0.000 1.126 187 G HN 0.604 nan 8.290 nan 0.000 0.490 188 I N 2.826 123.526 120.570 0.217 0.000 3.261 188 I HA 0.334 4.507 4.170 0.005 0.000 0.341 188 I C 1.570 177.853 176.117 0.276 0.000 1.355 188 I CA 0.178 61.632 61.300 0.257 0.000 1.070 188 I CB 0.098 38.291 38.000 0.322 0.000 1.742 188 I HN 0.561 nan 8.210 nan 0.000 0.498 189 G N 0.729 109.652 108.800 0.204 0.000 2.624 189 G HA2 0.343 4.306 3.960 0.005 0.000 0.217 189 G HA3 0.343 4.306 3.960 0.005 0.000 0.217 189 G C 1.249 176.251 174.900 0.170 0.000 1.506 189 G CA 0.424 45.615 45.100 0.152 0.000 1.072 189 G HN 0.370 nan 8.290 nan 0.000 0.568 190 A N -0.494 122.299 122.820 -0.044 0.000 1.873 190 A HA 0.051 4.374 4.320 0.005 0.000 0.218 190 A C 2.767 180.368 177.584 0.029 0.000 1.193 190 A CA 3.145 55.093 52.037 -0.148 0.000 0.629 190 A CB -1.145 17.655 19.000 -0.332 0.000 0.826 190 A HN 1.264 nan 8.150 nan 0.000 0.447 191 A N -0.767 122.035 122.820 -0.030 0.000 1.858 191 A HA 0.150 4.473 4.320 0.005 0.000 0.216 191 A C 2.480 180.078 177.584 0.022 0.000 1.190 191 A CA 2.034 54.047 52.037 -0.040 0.000 0.617 191 A CB -1.498 17.466 19.000 -0.059 0.000 0.827 191 A HN 0.787 nan 8.150 nan 0.000 0.443 192 G N -1.667 107.173 108.800 0.067 0.000 2.433 192 G HA2 -0.292 3.671 3.960 0.005 0.000 0.216 192 G HA3 -0.292 3.671 3.960 0.005 0.000 0.216 192 G C 1.528 176.487 174.900 0.098 0.000 1.186 192 G CA 1.302 46.442 45.100 0.067 0.000 0.779 192 G HN 0.544 nan 8.290 nan 0.000 0.543 193 Y N 2.118 122.450 120.300 0.054 0.000 2.062 193 Y HA -0.264 4.290 4.550 0.006 0.000 0.276 193 Y C 2.670 178.588 175.900 0.030 0.000 1.189 193 Y CA 2.460 60.568 58.100 0.014 0.000 1.130 193 Y CB -0.278 38.179 38.460 -0.006 0.000 0.959 193 Y HN 0.196 nan 8.280 nan 0.000 0.499 194 N N -0.074 118.696 118.700 0.118 0.000 2.300 194 N HA -0.101 4.642 4.740 0.005 0.000 0.179 194 N C 1.948 177.452 175.510 -0.009 0.000 1.016 194 N CA 1.421 54.498 53.050 0.046 0.000 0.876 194 N CB -0.113 38.422 38.487 0.080 0.000 0.979 194 N HN 0.430 nan 8.380 nan 0.000 0.432 195 I N 0.852 121.380 120.570 -0.071 0.000 2.179 195 I HA -0.225 3.948 4.170 0.005 0.000 0.242 195 I C 2.204 178.279 176.117 -0.070 0.000 1.088 195 I CA 0.838 62.080 61.300 -0.096 0.000 1.357 195 I CB -0.208 37.734 38.000 -0.098 0.000 1.051 195 I HN -0.126 nan 8.210 nan 0.000 0.409 196 V N 0.836 120.691 119.914 -0.099 0.000 2.332 196 V HA -0.311 3.812 4.120 0.005 0.000 0.248 196 V C 2.413 178.432 176.094 -0.124 0.000 1.055 196 V CA 1.852 64.076 62.300 -0.127 0.000 1.038 196 V CB -0.720 31.024 31.823 -0.131 0.000 0.651 196 V HN 0.390 nan 8.190 nan 0.000 0.450 197 K N -0.953 119.366 120.400 -0.135 0.000 2.057 197 K HA -0.136 4.187 4.320 0.005 0.000 0.207 197 K C 2.101 178.689 176.600 -0.021 0.000 1.049 197 K CA 1.537 57.752 56.287 -0.118 0.000 0.931 197 K CB -0.315 32.076 32.500 -0.182 0.000 0.714 197 K HN 0.342 nan 8.250 nan 0.000 0.440 198 F N 1.568 121.432 119.950 -0.144 0.000 2.102 198 F HA -0.159 4.371 4.527 0.004 0.000 0.298 198 F C 2.142 177.855 175.800 -0.145 0.000 1.105 198 F CA 1.140 59.074 58.000 -0.110 0.000 1.239 198 F CB -0.639 38.313 39.000 -0.080 0.000 0.991 198 F HN -0.074 nan 8.300 nan 0.000 0.474 199 L N -0.644 120.562 121.223 -0.029 0.000 2.012 199 L HA -0.272 4.071 4.340 0.005 0.000 0.210 199 L C 2.440 179.211 176.870 -0.164 0.000 1.073 199 L CA 1.294 56.003 54.840 -0.219 0.000 0.748 199 L CB -0.895 40.938 42.059 -0.376 0.000 0.891 199 L HN 0.174 nan 8.230 nan 0.000 0.431 200 L N -0.608 120.536 121.223 -0.131 0.000 2.046 200 L HA -0.223 4.120 4.340 0.005 0.000 0.208 200 L C 2.292 179.103 176.870 -0.099 0.000 1.077 200 L CA 1.090 55.865 54.840 -0.109 0.000 0.747 200 L CB -0.686 41.310 42.059 -0.105 0.000 0.896 200 L HN 0.276 nan 8.230 nan 0.000 0.432 201 D N 0.230 120.558 120.400 -0.121 0.000 2.149 201 D HA -0.168 4.475 4.640 0.005 0.000 0.198 201 D C 2.367 178.611 176.300 -0.093 0.000 0.990 201 D CA 1.202 55.124 54.000 -0.130 0.000 0.839 201 D CB -0.182 40.489 40.800 -0.215 0.000 0.948 201 D HN 0.284 nan 8.370 nan 0.000 0.460 202 L N -0.874 120.304 121.223 -0.074 0.000 2.141 202 L HA 0.018 4.361 4.340 0.005 0.000 0.209 202 L C 1.916 178.783 176.870 -0.004 0.000 1.094 202 L CA 1.348 56.175 54.840 -0.021 0.000 0.763 202 L CB -0.070 42.004 42.059 0.025 0.000 0.908 202 L HN 0.273 nan 8.230 nan 0.000 0.437 203 G N -1.748 107.039 108.800 -0.022 0.000 2.977 203 G HA2 -0.163 3.800 3.960 0.005 0.000 0.211 203 G HA3 -0.163 3.800 3.960 0.005 0.000 0.211 203 G C 0.134 175.029 174.900 -0.008 0.000 0.994 203 G CA -0.201 44.895 45.100 -0.006 0.000 0.795 203 G HN -0.029 nan 8.290 nan 0.000 0.518 204 V N 1.351 121.245 119.914 -0.034 0.000 2.617 204 V HA 0.238 4.361 4.120 0.005 0.000 0.304 204 V C 1.466 177.528 176.094 -0.054 0.000 1.040 204 V CA 1.505 63.773 62.300 -0.054 0.000 1.149 204 V CB 1.365 33.082 31.823 -0.177 0.000 0.914 204 V HN 0.368 nan 8.190 nan 0.000 0.487 205 K N 2.649 123.033 120.400 -0.027 0.000 2.370 205 K HA 0.168 4.491 4.320 0.005 0.000 0.194 205 K C 0.837 177.424 176.600 -0.022 0.000 1.070 205 K CA 0.083 56.356 56.287 -0.023 0.000 0.998 205 K CB 0.293 32.788 32.500 -0.008 0.000 0.911 205 K HN 0.620 nan 8.250 nan 0.000 0.533 206 N N 1.016 119.707 118.700 -0.016 0.000 2.976 206 N HA 0.119 4.862 4.740 0.005 0.000 0.255 206 N C -1.738 173.761 175.510 -0.020 0.000 1.312 206 N CA -0.219 52.826 53.050 -0.008 0.000 0.897 206 N CB 0.777 39.273 38.487 0.015 0.000 1.184 206 N HN -0.250 nan 8.380 nan 0.000 0.497 207 V N 2.369 122.258 119.914 -0.041 0.000 2.364 207 V HA 0.341 4.464 4.120 0.005 0.000 0.272 207 V C 0.165 176.243 176.094 -0.026 0.000 1.036 207 V CA -0.790 61.476 62.300 -0.056 0.000 0.880 207 V CB 1.381 33.151 31.823 -0.089 0.000 0.991 207 V HN 0.149 nan 8.190 nan 0.000 0.460 208 V N 4.925 124.836 119.914 -0.006 0.000 2.350 208 V HA 0.639 4.761 4.120 0.005 0.000 0.276 208 V C 0.647 176.752 176.094 0.018 0.000 1.028 208 V CA -0.474 61.833 62.300 0.012 0.000 0.860 208 V CB 1.267 33.106 31.823 0.027 0.000 0.990 208 V HN 0.938 nan 8.190 nan 0.000 0.453 209 A N 5.434 128.268 122.820 0.022 0.000 2.327 209 A HA 0.819 5.142 4.320 0.005 0.000 0.283 209 A C -0.434 177.187 177.584 0.061 0.000 1.127 209 A CA -0.359 51.703 52.037 0.041 0.000 0.810 209 A CB 0.926 19.959 19.000 0.055 0.000 1.066 209 A HN 0.721 nan 8.150 nan 0.000 0.492 210 V N 2.067 122.028 119.914 0.078 0.000 2.876 210 V HA 0.625 4.748 4.120 0.005 0.000 0.312 210 V C -0.601 175.549 176.094 0.092 0.000 1.085 210 V CA -0.525 61.824 62.300 0.082 0.000 0.945 210 V CB 2.074 33.957 31.823 0.101 0.000 1.017 210 V HN 1.088 nan 8.190 nan 0.000 0.428 211 D N 0.606 121.040 120.400 0.057 0.000 2.752 211 D HA 0.374 5.017 4.640 0.005 0.000 0.313 211 D C 1.061 177.369 176.300 0.014 0.000 1.225 211 D CA -0.133 53.890 54.000 0.039 0.000 0.976 211 D CB 1.753 42.535 40.800 -0.030 0.000 1.443 211 D HN 0.333 nan 8.370 nan 0.000 0.515 212 R N -0.586 119.918 120.500 0.007 0.000 2.303 212 R HA 0.045 4.388 4.340 0.005 0.000 0.225 212 R C 0.931 177.234 176.300 0.006 0.000 1.114 212 R CA 1.784 57.896 56.100 0.020 0.000 1.007 212 R CB -1.980 28.333 30.300 0.023 0.000 0.861 212 R HN 0.397 nan 8.270 nan 0.000 0.471 213 K N -0.121 120.267 120.400 -0.019 0.000 2.618 213 K HA 0.560 4.883 4.320 0.005 0.000 0.207 213 K C 0.904 177.497 176.600 -0.011 0.000 1.058 213 K CA 0.170 56.449 56.287 -0.014 0.000 1.086 213 K CB -0.214 32.272 32.500 -0.024 0.000 0.827 213 K HN 1.234 nan 8.250 nan 0.000 0.481 214 G N 0.031 108.831 108.800 0.000 0.000 2.631 214 G HA2 -0.092 3.871 3.960 0.005 0.000 0.504 214 G HA3 -0.092 3.871 3.960 0.005 0.000 0.504 214 G C -0.343 174.562 174.900 0.009 0.000 1.306 214 G CA -0.560 44.544 45.100 0.005 0.000 0.897 214 G HN 0.615 nan 8.290 nan 0.000 0.520 215 I N 1.026 121.602 120.570 0.011 0.000 2.821 215 I HA 0.013 4.186 4.170 0.005 0.000 0.294 215 I C 1.227 177.354 176.117 0.017 0.000 1.210 215 I CA 0.239 61.550 61.300 0.018 0.000 1.430 215 I CB 0.055 38.060 38.000 0.009 0.000 1.356 215 I HN 0.323 nan 8.210 nan 0.000 0.563 216 L N 7.223 128.465 121.223 0.031 0.000 2.410 216 L HA 0.264 4.607 4.340 0.005 0.000 0.273 216 L C 0.200 177.086 176.870 0.027 0.000 1.144 216 L CA 0.099 54.961 54.840 0.037 0.000 0.863 216 L CB -0.067 42.037 42.059 0.075 0.000 1.140 216 L HN 0.626 nan 8.230 nan 0.000 0.463 217 N N 1.898 120.610 118.700 0.020 0.000 2.503 217 N HA 0.098 4.841 4.740 0.005 0.000 0.287 217 N C 0.411 175.928 175.510 0.011 0.000 1.096 217 N CA -0.378 52.679 53.050 0.012 0.000 0.936 217 N CB 1.676 40.167 38.487 0.006 0.000 1.570 217 N HN 0.582 nan 8.380 nan 0.000 0.504 218 E N 1.579 121.785 120.200 0.010 0.000 2.147 218 E HA -0.214 4.139 4.350 0.005 0.000 0.199 218 E C 0.444 177.046 176.600 0.004 0.000 1.005 218 E CA 1.533 57.937 56.400 0.007 0.000 0.810 218 E CB 0.022 29.724 29.700 0.003 0.000 0.736 218 E HN 0.613 nan 8.360 nan 0.000 0.460 219 N N 0.842 119.543 118.700 0.002 0.000 2.463 219 N HA -0.063 4.680 4.740 0.005 0.000 0.181 219 N C -0.138 175.372 175.510 -0.001 0.000 1.078 219 N CA 0.665 53.715 53.050 -0.000 0.000 0.902 219 N CB 0.365 38.852 38.487 -0.001 0.000 0.970 219 N HN 0.185 nan 8.380 nan 0.000 0.451 220 D N -0.691 119.709 120.400 0.000 0.000 2.895 220 D HA 0.084 4.727 4.640 0.005 0.000 0.350 220 D C -2.247 174.053 176.300 -0.000 0.000 1.389 220 D CA -1.220 52.779 54.000 -0.001 0.000 0.812 220 D CB 0.048 40.847 40.800 -0.003 0.000 1.164 220 D HN 0.109 nan 8.370 nan 0.000 0.455 221 P HA -0.036 nan 4.420 nan 0.000 0.259 221 P C 0.897 178.198 177.300 0.001 0.000 1.307 221 P CA 0.230 63.332 63.100 0.004 0.000 0.768 221 P CB 0.181 31.885 31.700 0.007 0.000 1.199 222 E N 0.066 120.265 120.200 -0.002 0.000 2.394 222 E HA -0.155 4.198 4.350 0.005 0.000 0.202 222 E C 1.273 177.864 176.600 -0.017 0.000 1.029 222 E CA 1.622 58.018 56.400 -0.007 0.000 0.855 222 E CB -0.501 29.196 29.700 -0.006 0.000 0.770 222 E HN 0.483 nan 8.360 nan 0.000 0.527 223 T N -2.478 112.067 114.554 -0.016 0.000 3.194 223 T HA 0.045 4.398 4.350 0.005 0.000 0.251 223 T C 0.678 175.342 174.700 -0.059 0.000 1.132 223 T CA -0.121 61.961 62.100 -0.029 0.000 1.028 223 T CB -0.169 68.694 68.868 -0.009 0.000 0.976 223 T HN -0.016 nan 8.240 nan 0.000 0.535 224 C N 2.001 121.277 119.300 -0.041 0.000 2.521 224 C HA 0.518 4.981 4.460 0.005 0.000 0.291 224 C C 1.765 176.753 174.990 -0.002 0.000 1.074 224 C CA -1.144 57.864 59.018 -0.017 0.000 1.495 224 C CB -1.034 26.738 27.740 0.053 0.000 1.862 224 C HN 0.596 nan 8.230 nan 0.000 0.418 225 L N 1.941 123.114 121.223 -0.083 0.000 1.990 225 L HA -0.119 4.224 4.340 0.005 0.000 0.213 225 L C 1.250 178.221 176.870 0.168 0.000 1.072 225 L CA 1.627 56.487 54.840 0.033 0.000 0.755 225 L CB -0.163 41.911 42.059 0.025 0.000 0.889 225 L HN 0.648 nan 8.230 nan 0.000 0.432 226 N N -1.466 117.455 118.700 0.368 0.000 2.545 226 N HA 0.073 4.816 4.740 0.005 0.000 0.289 226 N C 0.597 176.207 175.510 0.166 0.000 1.279 226 N CA -0.268 52.962 53.050 0.301 0.000 0.824 226 N CB 1.282 40.002 38.487 0.389 0.000 1.395 226 N HN 0.095 nan 8.380 nan 0.000 0.526 227 E N -0.326 119.881 120.200 0.010 0.000 2.204 227 E HA -0.159 4.194 4.350 0.005 0.000 0.194 227 E C 0.569 177.009 176.600 -0.267 0.000 0.989 227 E CA 1.439 57.731 56.400 -0.181 0.000 0.824 227 E CB -0.245 29.240 29.700 -0.360 0.000 0.756 227 E HN 0.579 nan 8.360 nan 0.000 0.477 228 Y N 0.650 120.849 120.300 -0.169 0.000 2.314 228 Y HA -0.037 4.516 4.550 0.005 0.000 0.293 228 Y C 1.952 177.744 175.900 -0.180 0.000 1.129 228 Y CA 1.542 59.440 58.100 -0.337 0.000 1.201 228 Y CB -0.264 37.706 38.460 -0.816 0.000 0.999 228 Y HN 0.204 nan 8.280 nan 0.000 0.541 229 H N -1.009 118.140 119.070 0.132 0.000 2.389 229 H HA -0.115 4.444 4.556 0.005 0.000 0.299 229 H C 2.549 177.910 175.328 0.055 0.000 1.081 229 H CA 1.596 57.707 56.048 0.106 0.000 1.345 229 H CB -0.682 29.134 29.762 0.090 0.000 1.393 229 H HN 0.300 nan 8.280 nan 0.000 0.520 230 L N 0.958 122.252 121.223 0.117 0.000 1.978 230 L HA -0.259 4.084 4.340 0.005 0.000 0.218 230 L C 2.301 179.188 176.870 0.028 0.000 1.075 230 L CA 2.850 57.715 54.840 0.043 0.000 0.767 230 L CB -1.442 nan 42.059 nan 0.000 0.890 230 L HN 0.486 nan 8.230 nan 0.000 0.434 231 E N -0.734 119.473 120.200 0.011 0.000 2.085 231 E HA -0.203 4.150 4.350 0.005 0.000 0.194 231 E C 2.252 178.872 176.600 0.034 0.000 0.994 231 E CA 1.431 57.841 56.400 0.018 0.000 0.801 231 E CB -0.049 29.675 29.700 0.039 0.000 0.743 231 E HN 0.704 nan 8.360 nan 0.000 0.453 232 I N 0.919 121.532 120.570 0.071 0.000 2.361 232 I HA -0.204 3.969 4.170 0.005 0.000 0.251 232 I C 2.434 178.568 176.117 0.029 0.000 1.133 232 I CA 1.112 62.435 61.300 0.039 0.000 1.413 232 I CB -1.433 36.614 38.000 0.079 0.000 1.073 232 I HN 0.073 nan 8.210 nan 0.000 0.424 233 A N 0.343 123.190 122.820 0.045 0.000 2.016 233 A HA -0.130 4.193 4.320 0.005 0.000 0.217 233 A C 2.293 179.882 177.584 0.009 0.000 1.162 233 A CA 0.750 52.805 52.037 0.029 0.000 0.662 233 A CB -0.365 18.657 19.000 0.037 0.000 0.812 233 A HN 0.180 nan 8.150 nan 0.000 0.450 234 R N 0.117 120.619 120.500 0.004 0.000 2.152 234 R HA -0.053 4.290 4.340 0.005 0.000 0.232 234 R C 1.492 177.783 176.300 -0.015 0.000 1.117 234 R CA 1.574 57.670 56.100 -0.007 0.000 0.981 234 R CB -0.497 29.796 30.300 -0.012 0.000 0.870 234 R HN 0.796 nan 8.270 nan 0.000 0.451 235 I N -4.598 115.959 120.570 -0.021 0.000 3.947 235 I HA 0.355 4.528 4.170 0.005 0.000 0.327 235 I C -0.164 175.932 176.117 -0.035 0.000 1.519 235 I CA -0.229 61.051 61.300 -0.033 0.000 1.122 235 I CB 1.008 38.978 38.000 -0.050 0.000 1.146 235 I HN -0.225 nan 8.210 nan 0.000 0.442 236 T N 0.839 115.380 114.554 -0.023 0.000 2.858 236 T HA 0.345 4.698 4.350 0.005 0.000 0.285 236 T C -0.368 174.325 174.700 -0.011 0.000 1.052 236 T CA -0.353 61.734 62.100 -0.021 0.000 1.009 236 T CB 1.407 70.266 68.868 -0.014 0.000 1.241 236 T HN 0.393 nan 8.240 nan 0.000 0.542 237 N N 1.393 120.088 118.700 -0.008 0.000 2.642 237 N HA -0.111 4.632 4.740 0.005 0.000 0.269 237 N C -2.285 173.223 175.510 -0.004 0.000 1.073 237 N CA 0.185 53.234 53.050 -0.002 0.000 0.748 237 N CB -0.324 38.165 38.487 0.003 0.000 0.894 237 N HN 0.270 nan 8.380 nan 0.000 0.548 238 P HA -0.100 nan 4.420 nan 0.000 0.216 238 P C 0.614 177.913 177.300 -0.003 0.000 1.153 238 P CA 1.167 64.264 63.100 -0.005 0.000 0.848 238 P CB 0.107 31.804 31.700 -0.005 0.000 0.787 239 E N -0.774 119.426 120.200 -0.000 0.000 2.516 239 E HA -0.019 4.334 4.350 0.005 0.000 0.199 239 E C 0.060 176.659 176.600 -0.002 0.000 1.069 239 E CA -0.015 56.385 56.400 -0.000 0.000 0.876 239 E CB -0.501 29.200 29.700 0.002 0.000 0.843 239 E HN 0.060 nan 8.360 nan 0.000 0.530 240 R N 0.230 120.729 120.500 -0.002 0.000 3.422 240 R HA -0.191 4.152 4.340 0.005 0.000 0.267 240 R C -0.635 175.663 176.300 -0.003 0.000 1.074 240 R CA -0.029 56.070 56.100 -0.002 0.000 0.718 240 R CB -2.069 28.229 30.300 -0.003 0.000 1.157 240 R HN 0.184 nan 8.270 nan 0.000 0.440 241 L N 0.344 121.565 121.223 -0.003 0.000 2.473 241 L HA 0.232 4.575 4.340 0.005 0.000 0.268 241 L C 0.778 177.643 176.870 -0.007 0.000 1.215 241 L CA 0.496 55.332 54.840 -0.006 0.000 0.823 241 L CB 1.024 43.080 42.059 -0.005 0.000 1.099 241 L HN 0.323 nan 8.230 nan 0.000 0.483 242 S N 0.089 115.782 115.700 -0.013 0.000 2.543 242 S HA 0.914 5.387 4.470 0.005 0.000 0.271 242 S C -0.440 174.147 174.600 -0.023 0.000 1.148 242 S CA -0.194 57.998 58.200 -0.014 0.000 0.914 242 S CB 1.995 65.189 63.200 -0.011 0.000 1.096 242 S HN 1.227 nan 8.310 nan 0.000 0.471 243 G N 2.007 110.793 108.800 -0.024 0.000 2.302 243 G HA2 0.330 4.293 3.960 0.005 0.000 0.276 243 G HA3 0.330 4.293 3.960 0.005 0.000 0.276 243 G C -1.782 173.094 174.900 -0.040 0.000 1.316 243 G CA -0.092 44.986 45.100 -0.037 0.000 0.988 243 G HN 1.069 nan 8.290 nan 0.000 0.479 244 D N -0.590 119.771 120.400 -0.065 0.000 2.478 244 D HA 0.527 5.170 4.640 0.005 0.000 0.269 244 D C 1.800 178.047 176.300 -0.088 0.000 1.232 244 D CA -0.388 53.574 54.000 -0.064 0.000 1.059 244 D CB 0.465 41.218 40.800 -0.078 0.000 1.104 244 D HN 0.757 nan 8.370 nan 0.000 0.566 245 L N -0.350 120.838 121.223 -0.060 0.000 2.043 245 L HA -0.198 4.145 4.340 0.005 0.000 0.212 245 L C 2.084 178.813 176.870 -0.234 0.000 1.075 245 L CA 2.165 56.979 54.840 -0.043 0.000 0.752 245 L CB -0.872 41.240 42.059 0.088 0.000 0.891 245 L HN 0.705 nan 8.230 nan 0.000 0.432 246 E N -1.449 118.414 120.200 -0.563 0.000 2.051 246 E HA -0.227 4.126 4.350 0.005 0.000 0.192 246 E C 1.902 178.201 176.600 -0.503 0.000 0.991 246 E CA 1.808 57.615 56.400 -0.988 0.000 0.799 246 E CB -0.130 28.709 29.700 -1.435 0.000 0.748 246 E HN 0.588 nan 8.360 nan 0.000 0.449 247 T N 0.721 115.082 114.554 -0.321 0.000 2.720 247 T HA -0.168 4.185 4.350 0.005 0.000 0.268 247 T C 1.872 176.502 174.700 -0.116 0.000 1.037 247 T CA 1.384 63.374 62.100 -0.184 0.000 1.144 247 T CB -0.395 68.397 68.868 -0.127 0.000 0.864 247 T HN 0.368 nan 8.240 nan 0.000 0.444 248 A N 1.183 123.952 122.820 -0.086 0.000 1.948 248 A HA -0.050 4.273 4.320 0.005 0.000 0.220 248 A C 2.202 179.787 177.584 0.002 0.000 1.177 248 A CA 1.363 53.390 52.037 -0.018 0.000 0.636 248 A CB -0.844 18.171 19.000 0.026 0.000 0.815 248 A HN 0.520 nan 8.150 nan 0.000 0.449 249 L N -0.591 120.616 121.223 -0.026 0.000 2.478 249 L HA 0.017 4.360 4.340 0.005 0.000 0.223 249 L C 1.058 177.931 176.870 0.006 0.000 1.140 249 L CA -0.039 54.815 54.840 0.023 0.000 0.842 249 L CB -0.296 41.780 42.059 0.027 0.000 0.953 249 L HN 0.440 nan 8.230 nan 0.000 0.452 250 E N 0.633 120.811 120.200 -0.036 0.000 2.491 250 E HA 0.066 4.419 4.350 0.005 0.000 0.250 250 E C 1.180 177.782 176.600 0.004 0.000 1.061 250 E CA 0.715 57.100 56.400 -0.026 0.000 0.942 250 E CB 0.109 29.781 29.700 -0.046 0.000 0.957 250 E HN 0.334 nan 8.360 nan 0.000 0.480 251 G N 2.789 111.598 108.800 0.015 0.000 2.179 251 G HA2 -0.360 3.603 3.960 0.005 0.000 0.260 251 G HA3 -0.360 3.603 3.960 0.005 0.000 0.260 251 G C 0.390 175.317 174.900 0.045 0.000 0.977 251 G CA 0.075 45.189 45.100 0.024 0.000 0.641 251 G HN 0.866 nan 8.290 nan 0.000 0.533 252 A N 0.039 122.896 122.820 0.061 0.000 2.483 252 A HA 0.509 4.832 4.320 0.005 0.000 0.238 252 A C 1.152 178.797 177.584 0.101 0.000 1.070 252 A CA 0.986 53.084 52.037 0.101 0.000 0.770 252 A CB 0.281 19.359 19.000 0.131 0.000 1.008 252 A HN 0.279 nan 8.150 nan 0.000 0.497 253 D N -0.159 120.337 120.400 0.161 0.000 2.324 253 D HA 0.171 4.814 4.640 0.005 0.000 0.212 253 D C -0.666 175.616 176.300 -0.029 0.000 0.984 253 D CA 1.179 55.238 54.000 0.098 0.000 0.885 253 D CB 0.242 41.197 40.800 0.259 0.000 0.996 253 D HN 0.460 nan 8.370 nan 0.000 0.505 254 F N -0.037 119.963 119.950 0.084 0.000 2.578 254 F HA 0.374 4.903 4.527 0.003 0.000 0.311 254 F C -0.732 175.134 175.800 0.111 0.000 1.094 254 F CA -1.271 56.762 58.000 0.056 0.000 0.923 254 F CB 2.005 41.025 39.000 0.033 0.000 1.230 254 F HN -0.315 nan 8.300 nan 0.000 0.450 255 F N 4.397 124.427 119.950 0.133 0.000 2.493 255 F HA 0.789 5.318 4.527 0.004 0.000 0.329 255 F C -1.372 174.486 175.800 0.096 0.000 1.126 255 F CA -1.075 56.992 58.000 0.111 0.000 0.937 255 F CB 0.905 39.972 39.000 0.111 0.000 1.146 255 F HN 0.300 nan 8.300 nan 0.000 0.442 256 I N 5.804 125.964 120.570 -0.683 0.000 2.411 256 I HA 0.471 4.644 4.170 0.005 0.000 0.284 256 I C 0.042 175.628 176.117 -0.886 0.000 1.012 256 I CA -0.714 60.267 61.300 -0.532 0.000 1.119 256 I CB 1.733 39.615 38.000 -0.195 0.000 1.261 256 I HN 0.819 nan 8.210 nan 0.000 0.448 257 G N 5.237 113.576 108.800 -0.769 0.000 2.422 257 G HA2 0.576 4.539 3.960 0.005 0.000 0.317 257 G HA3 0.576 4.539 3.960 0.005 0.000 0.317 257 G C -0.693 174.181 174.900 -0.043 0.000 1.210 257 G CA -0.314 44.560 45.100 -0.376 0.000 0.930 257 G HN 0.344 nan 8.290 nan 0.000 0.468 258 V N 2.739 122.646 119.914 -0.011 0.000 2.384 258 V HA 0.411 4.534 4.120 0.005 0.000 0.257 258 V C 0.386 176.512 176.094 0.053 0.000 0.969 258 V CA 0.189 62.504 62.300 0.024 0.000 0.910 258 V CB -0.322 31.502 31.823 0.002 0.000 1.150 258 V HN 1.021 nan 8.190 nan 0.000 0.481 259 S N 3.288 119.039 115.700 0.085 0.000 4.020 259 S HA 0.620 5.093 4.470 0.005 0.000 0.201 259 S C -0.021 174.634 174.600 0.091 0.000 1.194 259 S CA -0.797 57.462 58.200 0.098 0.000 1.383 259 S CB 1.620 64.903 63.200 0.138 0.000 1.745 259 S HN 0.368 nan 8.310 nan 0.000 0.739 260 R N -0.030 120.533 120.500 0.105 0.000 2.902 260 R HA 0.723 5.066 4.340 0.005 0.000 0.258 260 R C 0.106 176.454 176.300 0.080 0.000 1.071 260 R CA -0.195 55.953 56.100 0.080 0.000 1.024 260 R CB 1.201 31.544 30.300 0.070 0.000 1.184 260 R HN 0.769 nan 8.270 nan 0.000 0.492 261 G N 0.354 109.187 108.800 0.055 0.000 2.444 261 G HA2 0.131 4.094 3.960 0.005 0.000 0.268 261 G HA3 0.131 4.094 3.960 0.005 0.000 0.268 261 G C -0.492 174.421 174.900 0.022 0.000 1.203 261 G CA -0.331 44.794 45.100 0.042 0.000 0.835 261 G HN 0.724 nan 8.290 nan 0.000 0.543 262 N N -0.516 118.185 118.700 0.002 0.000 2.705 262 N HA -0.186 4.557 4.740 0.005 0.000 0.255 262 N C 0.979 176.454 175.510 -0.057 0.000 1.008 262 N CA 1.216 54.243 53.050 -0.040 0.000 0.742 262 N CB -0.768 37.696 38.487 -0.038 0.000 0.906 262 N HN 0.823 nan 8.380 nan 0.000 0.541 263 I N -4.663 115.877 120.570 -0.051 0.000 4.323 263 I HA 0.181 4.354 4.170 0.005 0.000 0.328 263 I C 0.352 176.386 176.117 -0.138 0.000 1.310 263 I CA -0.147 61.130 61.300 -0.039 0.000 1.186 263 I CB 0.305 38.344 38.000 0.065 0.000 1.130 263 I HN -0.026 nan 8.210 nan 0.000 0.411 264 L N 3.909 124.999 121.223 -0.221 0.000 2.268 264 L HA 0.439 4.782 4.340 0.005 0.000 0.289 264 L C -0.008 176.480 176.870 -0.636 0.000 1.064 264 L CA -0.307 54.305 54.840 -0.380 0.000 0.824 264 L CB 0.241 42.071 42.059 -0.381 0.000 1.202 264 L HN 0.145 nan 8.230 nan 0.000 0.433 265 K N 7.475 127.071 120.400 -1.339 0.000 2.270 265 K HA 0.220 4.543 4.320 0.005 0.000 0.276 265 K C -1.535 174.625 176.600 -0.733 0.000 1.023 265 K CA -1.356 54.259 56.287 -1.120 0.000 0.955 265 K CB 0.689 32.295 32.500 -1.489 0.000 0.975 265 K HN 0.433 nan 8.250 nan 0.000 0.471 266 P HA -0.185 nan 4.420 nan 0.000 0.217 266 P C 0.533 177.749 177.300 -0.140 0.000 1.150 266 P CA 1.340 64.308 63.100 -0.219 0.000 0.832 266 P CB 0.295 31.903 31.700 -0.153 0.000 0.787 267 E N -1.017 119.098 120.200 -0.142 0.000 2.265 267 E HA -0.148 4.205 4.350 0.005 0.000 0.196 267 E C 1.838 178.543 176.600 0.175 0.000 0.996 267 E CA 0.758 57.165 56.400 0.010 0.000 0.832 267 E CB -0.584 29.140 29.700 0.040 0.000 0.756 267 E HN 0.421 nan 8.360 nan 0.000 0.491 268 W N 0.833 122.106 121.300 -0.044 0.000 2.392 268 W HA -0.019 4.643 4.660 0.004 0.000 0.279 268 W C 2.050 178.541 176.519 -0.046 0.000 1.225 268 W CA -0.022 57.294 57.345 -0.048 0.000 1.233 268 W CB -0.985 28.434 29.460 -0.068 0.000 1.122 268 W HN 0.050 nan 8.180 nan 0.000 0.561 269 I N 0.800 121.462 120.570 0.154 0.000 2.264 269 I HA -0.310 3.863 4.170 0.005 0.000 0.248 269 I C 1.932 178.088 176.117 0.066 0.000 1.111 269 I CA 1.520 62.867 61.300 0.078 0.000 1.382 269 I CB -0.823 37.193 38.000 0.027 0.000 1.060 269 I HN 0.011 nan 8.210 nan 0.000 0.418 270 K N 0.991 121.432 120.400 0.067 0.000 2.439 270 K HA -0.025 4.298 4.320 0.005 0.000 0.197 270 K C 0.672 177.300 176.600 0.048 0.000 1.041 270 K CA 0.585 56.901 56.287 0.048 0.000 0.970 270 K CB 0.043 32.568 32.500 0.041 0.000 0.773 270 K HN 0.437 nan 8.250 nan 0.000 0.479 274 R N 1.005 121.481 120.500 -0.041 0.000 2.734 274 R HA 0.470 4.813 4.340 0.005 0.000 0.266 274 R C 0.164 176.395 176.300 -0.115 0.000 1.044 274 R CA 0.467 56.525 56.100 -0.069 0.000 1.128 274 R CB -0.872 29.382 30.300 -0.076 0.000 1.010 274 R HN 0.874 nan 8.270 nan 0.000 0.461 275 K N -0.143 120.169 120.400 -0.146 0.000 3.451 275 K HA -0.156 4.167 4.320 0.005 0.000 0.273 275 K C -2.244 174.302 176.600 -0.091 0.000 0.944 275 K CA 0.607 56.757 56.287 -0.228 0.000 0.734 275 K CB -1.115 31.022 32.500 -0.604 0.000 1.437 275 K HN 0.505 nan 8.250 nan 0.000 0.454 276 P HA 0.174 nan 4.420 nan 0.000 0.279 276 P C -0.267 177.004 177.300 -0.049 0.000 1.239 276 P CA -0.320 62.740 63.100 -0.066 0.000 0.789 276 P CB 1.349 33.043 31.700 -0.009 0.000 0.933 277 V N 4.445 124.226 119.914 -0.221 0.000 2.513 277 V HA 0.397 4.520 4.120 0.005 0.000 0.299 277 V C 0.291 176.373 176.094 -0.019 0.000 1.035 277 V CA -0.581 61.605 62.300 -0.189 0.000 0.889 277 V CB 1.781 33.258 31.823 -0.577 0.000 0.988 277 V HN 0.409 nan 8.190 nan 0.000 0.440 278 I N 5.020 125.682 120.570 0.153 0.000 2.448 278 I HA 0.387 4.560 4.170 0.005 0.000 0.281 278 I C -1.140 175.283 176.117 0.509 0.000 1.027 278 I CA -0.205 61.284 61.300 0.315 0.000 1.111 278 I CB 1.444 39.575 38.000 0.218 0.000 1.236 278 I HN 0.390 nan 8.210 nan 0.000 0.452 279 F N 4.840 124.939 119.950 0.249 0.000 2.335 279 F HA 0.469 4.998 4.527 0.004 0.000 0.365 279 F C 0.822 176.721 175.800 0.164 0.000 1.122 279 F CA -1.549 56.542 58.000 0.151 0.000 1.151 279 F CB 1.290 40.351 39.000 0.102 0.000 1.282 279 F HN 0.466 nan 8.300 nan 0.000 0.513 280 A N 5.816 128.839 122.820 0.339 0.000 2.654 280 A HA 0.563 4.886 4.320 0.005 0.000 0.345 280 A C 0.378 178.064 177.584 0.169 0.000 1.368 280 A CA -0.321 51.897 52.037 0.302 0.000 0.895 280 A CB -0.289 18.860 19.000 0.249 0.000 1.143 280 A HN 0.780 nan 8.150 nan 0.000 0.490 281 L N 1.417 122.724 121.223 0.139 0.000 2.628 281 L HA 0.247 4.590 4.340 0.005 0.000 0.229 281 L C 1.372 178.282 176.870 0.066 0.000 1.137 281 L CA -0.085 54.799 54.840 0.074 0.000 0.909 281 L CB -0.300 41.785 42.059 0.044 0.000 1.137 281 L HN 0.673 nan 8.230 nan 0.000 0.470 282 A N 1.506 124.381 122.820 0.091 0.000 2.567 282 A HA 0.008 4.331 4.320 0.005 0.000 0.240 282 A C 0.089 177.706 177.584 0.056 0.000 1.053 282 A CA 0.318 52.400 52.037 0.074 0.000 0.755 282 A CB -0.258 18.797 19.000 0.092 0.000 0.978 282 A HN 0.454 nan 8.150 nan 0.000 0.507 283 N N 2.165 120.889 118.700 0.041 0.000 2.372 283 N HA 0.595 5.338 4.740 0.005 0.000 0.291 283 N C -1.349 174.179 175.510 0.029 0.000 1.024 283 N CA -1.499 51.571 53.050 0.033 0.000 0.873 283 N CB 1.562 40.062 38.487 0.020 0.000 1.206 283 N HN 0.331 nan 8.380 nan 0.000 0.486 284 P HA 0.167 nan 4.420 nan 0.000 0.259 284 P C -0.766 176.561 177.300 0.045 0.000 1.233 284 P CA 0.134 63.255 63.100 0.034 0.000 0.827 284 P CB 0.629 32.344 31.700 0.026 0.000 1.154 285 V N 3.574 123.514 119.914 0.043 0.000 2.383 285 V HA 0.283 4.406 4.120 0.005 0.000 0.275 285 V C -2.250 173.876 176.094 0.053 0.000 1.036 285 V CA -1.939 60.388 62.300 0.046 0.000 0.889 285 V CB 1.146 32.989 31.823 0.034 0.000 0.985 285 V HN 0.006 nan 8.190 nan 0.000 0.459 286 P HA 0.170 nan 4.420 nan 0.000 0.270 286 P C 0.538 177.878 177.300 0.066 0.000 1.223 286 P CA -0.248 62.893 63.100 0.068 0.000 0.785 286 P CB 0.916 32.645 31.700 0.048 0.000 0.923 287 E N 0.209 120.478 120.200 0.115 0.000 2.209 287 E HA -0.047 4.306 4.350 0.005 0.000 0.196 287 E C 0.749 177.351 176.600 0.003 0.000 0.993 287 E CA 1.112 57.574 56.400 0.105 0.000 0.819 287 E CB -0.191 29.655 29.700 0.243 0.000 0.745 287 E HN 0.385 nan 8.360 nan 0.000 0.477 288 I N -0.546 120.021 120.570 -0.005 0.000 2.827 288 I HA 0.153 4.326 4.170 0.005 0.000 0.298 288 I C -1.485 174.601 176.117 -0.052 0.000 1.235 288 I CA -1.204 60.057 61.300 -0.064 0.000 1.021 288 I CB 2.018 39.951 38.000 -0.111 0.000 1.259 288 I HN -0.239 nan 8.210 nan 0.000 0.427 289 D N 7.638 127.999 120.400 -0.066 0.000 2.458 289 D HA 0.185 4.828 4.640 0.005 0.000 0.243 289 D C -1.851 174.383 176.300 -0.111 0.000 1.146 289 D CA -1.205 52.750 54.000 -0.075 0.000 0.877 289 D CB 1.397 42.165 40.800 -0.053 0.000 1.176 289 D HN 0.234 nan 8.370 nan 0.000 0.461 290 P HA -0.164 nan 4.420 nan 0.000 0.215 290 P C 1.007 178.230 177.300 -0.128 0.000 1.153 290 P CA 0.996 63.967 63.100 -0.214 0.000 0.853 290 P CB 0.178 31.590 31.700 -0.479 0.000 0.788 291 E N -0.264 119.874 120.200 -0.104 0.000 2.051 291 E HA -0.177 4.176 4.350 0.005 0.000 0.192 291 E C 1.842 178.417 176.600 -0.041 0.000 0.991 291 E CA 0.860 57.232 56.400 -0.045 0.000 0.799 291 E CB -1.310 28.382 29.700 -0.013 0.000 0.748 291 E HN -0.024 nan 8.360 nan 0.000 0.449 292 L N 0.409 121.603 121.223 -0.049 0.000 2.043 292 L HA -0.124 4.219 4.340 0.005 0.000 0.212 292 L C 2.171 179.010 176.870 -0.052 0.000 1.075 292 L CA 2.448 57.257 54.840 -0.051 0.000 0.752 292 L CB -1.189 40.831 42.059 -0.065 0.000 0.891 292 L HN 0.189 nan 8.230 nan 0.000 0.432 293 A N -0.672 122.114 122.820 -0.056 0.000 1.902 293 A HA -0.232 4.091 4.320 0.005 0.000 0.217 293 A C 2.406 179.977 177.584 -0.021 0.000 1.181 293 A CA 1.772 53.784 52.037 -0.042 0.000 0.623 293 A CB -0.526 18.454 19.000 -0.033 0.000 0.818 293 A HN 0.453 nan 8.150 nan 0.000 0.443 294 R N -0.088 120.399 120.500 -0.021 0.000 2.080 294 R HA -0.116 4.227 4.340 0.005 0.000 0.236 294 R C 2.092 178.391 176.300 -0.002 0.000 1.137 294 R CA 1.694 57.790 56.100 -0.007 0.000 0.943 294 R CB -0.277 30.016 30.300 -0.011 0.000 0.846 294 R HN 0.508 nan 8.270 nan 0.000 0.431 295 E N -0.200 119.994 120.200 -0.011 0.000 2.204 295 E HA -0.126 4.227 4.350 0.005 0.000 0.195 295 E C 1.483 178.078 176.600 -0.008 0.000 0.990 295 E CA 1.290 57.684 56.400 -0.009 0.000 0.821 295 E CB -0.082 29.609 29.700 -0.015 0.000 0.750 295 E HN 0.395 nan 8.360 nan 0.000 0.477 296 A N -0.329 122.483 122.820 -0.013 0.000 2.275 296 A HA 0.375 4.698 4.320 0.005 0.000 0.212 296 A C 1.560 179.146 177.584 0.003 0.000 1.201 296 A CA 0.928 52.958 52.037 -0.012 0.000 0.843 296 A CB 0.196 19.178 19.000 -0.031 0.000 0.873 296 A HN 0.266 nan 8.150 nan 0.000 0.492 297 G N -2.170 106.638 108.800 0.013 0.000 2.205 297 G HA2 0.201 4.164 3.960 0.005 0.000 0.180 297 G HA3 0.201 4.164 3.960 0.005 0.000 0.180 297 G C 0.373 175.303 174.900 0.050 0.000 1.004 297 G CA -0.053 45.064 45.100 0.029 0.000 0.670 297 G HN 1.422 nan 8.290 nan 0.000 0.496 298 A N 0.010 122.856 122.820 0.044 0.000 2.511 298 A HA 0.564 4.887 4.320 0.005 0.000 0.242 298 A C 0.900 178.553 177.584 0.115 0.000 1.069 298 A CA 0.885 52.961 52.037 0.066 0.000 0.763 298 A CB 0.174 19.198 19.000 0.039 0.000 1.001 298 A HN 1.140 nan 8.150 nan 0.000 0.498 299 F N 2.468 122.399 119.950 -0.032 0.000 2.187 299 F HA 0.299 4.828 4.527 0.003 0.000 0.295 299 F C 0.461 176.254 175.800 -0.012 0.000 1.091 299 F CA 0.700 58.681 58.000 -0.033 0.000 1.308 299 F CB 0.103 39.064 39.000 -0.065 0.000 1.030 299 F HN 0.408 nan 8.300 nan 0.000 0.487 300 I N 0.697 121.161 120.570 -0.176 0.000 2.619 300 I HA 0.346 4.519 4.170 0.005 0.000 0.292 300 I C -1.467 174.654 176.117 0.007 0.000 1.100 300 I CA -0.931 60.243 61.300 -0.211 0.000 1.043 300 I CB 2.438 40.310 38.000 -0.213 0.000 1.239 300 I HN -0.449 nan 8.210 nan 0.000 0.420 301 V N 4.687 124.610 119.914 0.016 0.000 2.638 301 V HA 0.840 4.962 4.120 0.005 0.000 0.306 301 V C -0.316 175.814 176.094 0.059 0.000 1.052 301 V CA -0.433 61.912 62.300 0.075 0.000 0.885 301 V CB 1.728 33.556 31.823 0.009 0.000 0.999 301 V HN 0.823 nan 8.190 nan 0.000 0.424 302 A N 3.221 126.104 122.820 0.105 0.000 2.454 302 A HA 1.024 5.347 4.320 0.005 0.000 0.302 302 A C -0.212 177.368 177.584 -0.007 0.000 1.079 302 A CA -0.109 51.901 52.037 -0.044 0.000 0.731 302 A CB 2.273 21.065 19.000 -0.346 0.000 1.299 302 A HN 1.044 nan 8.150 nan 0.000 0.413 303 T N -2.397 112.141 114.554 -0.027 0.000 2.778 303 T HA 0.610 4.963 4.350 0.005 0.000 0.293 303 T C 0.812 175.513 174.700 0.001 0.000 1.144 303 T CA 0.186 62.296 62.100 0.017 0.000 1.010 303 T CB 1.162 70.063 68.868 0.054 0.000 1.325 303 T HN 1.362 nan 8.240 nan 0.000 0.515 304 G N -0.258 108.558 108.800 0.027 0.000 2.985 304 G HA2 0.219 4.182 3.960 0.005 0.000 0.209 304 G HA3 0.219 4.182 3.960 0.005 0.000 0.209 304 G C 0.494 175.416 174.900 0.037 0.000 1.165 304 G CA -0.341 44.770 45.100 0.018 0.000 0.776 304 G HN 0.681 nan 8.290 nan 0.000 0.541 305 R N 0.228 120.771 120.500 0.072 0.000 2.536 305 R HA 0.357 4.700 4.340 0.005 0.000 0.279 305 R C 1.443 177.773 176.300 0.050 0.000 1.001 305 R CA 0.207 56.350 56.100 0.072 0.000 1.027 305 R CB 1.354 31.726 30.300 0.120 0.000 1.096 305 R HN 0.169 nan 8.270 nan 0.000 0.502 306 S N 0.029 115.741 115.700 0.021 0.000 2.489 306 S HA -0.098 4.375 4.470 0.005 0.000 0.228 306 S C 0.999 175.569 174.600 -0.051 0.000 0.995 306 S CA 0.686 58.893 58.200 0.011 0.000 0.934 306 S CB -0.020 63.200 63.200 0.033 0.000 0.771 306 S HN 0.549 nan 8.310 nan 0.000 0.522 307 D N 1.524 121.846 120.400 -0.130 0.000 2.239 307 D HA -0.053 4.590 4.640 0.005 0.000 0.202 307 D C 0.515 176.508 176.300 -0.511 0.000 0.993 307 D CA 1.227 55.016 54.000 -0.351 0.000 0.874 307 D CB -0.034 40.425 40.800 -0.568 0.000 0.922 307 D HN 0.588 nan 8.370 nan 0.000 0.464 308 H N -2.068 117.002 119.070 0.001 0.000 2.894 308 H HA 0.369 4.928 4.556 0.005 0.000 0.368 308 H C -2.168 173.154 175.328 -0.010 0.000 1.181 308 H CA -1.791 54.255 56.048 -0.004 0.000 1.146 308 H CB 1.019 30.779 29.762 -0.003 0.000 1.839 308 H HN -0.185 nan 8.280 nan 0.000 0.557 309 P HA 0.014 nan 4.420 nan 0.000 0.270 309 P C -0.240 177.078 177.300 0.030 0.000 1.223 309 P CA -0.128 63.002 63.100 0.051 0.000 0.785 309 P CB 0.383 32.101 31.700 0.029 0.000 0.923 310 N N -0.672 118.023 118.700 -0.009 0.000 2.726 310 N HA -0.189 4.554 4.740 0.005 0.000 0.253 310 N C -0.361 175.107 175.510 -0.070 0.000 1.059 310 N CA 0.633 53.650 53.050 -0.055 0.000 0.701 310 N CB -1.385 37.059 38.487 -0.072 0.000 0.899 310 N HN 0.631 nan 8.380 nan 0.000 0.548 311 Q N 0.533 120.309 119.800 -0.040 0.000 2.307 311 Q HA 0.280 4.623 4.340 0.005 0.000 0.261 311 Q C -0.355 175.595 176.000 -0.083 0.000 1.051 311 Q CA -0.270 55.510 55.803 -0.038 0.000 0.911 311 Q CB 0.669 29.406 28.738 -0.002 0.000 1.227 311 Q HN 0.180 nan 8.270 nan 0.000 0.418 312 V N 5.582 125.423 119.914 -0.122 0.000 2.387 312 V HA 0.143 4.266 4.120 0.005 0.000 0.260 312 V C -0.013 176.035 176.094 -0.078 0.000 1.054 312 V CA -0.323 61.895 62.300 -0.137 0.000 0.967 312 V CB 0.374 32.071 31.823 -0.209 0.000 1.036 312 V HN 0.640 nan 8.190 nan 0.000 0.481 313 N N 4.512 123.172 118.700 -0.066 0.000 2.410 313 N HA 0.294 5.037 4.740 0.005 0.000 0.287 313 N C 0.755 176.241 175.510 -0.039 0.000 1.044 313 N CA -0.561 52.462 53.050 -0.045 0.000 0.881 313 N CB 1.422 39.878 38.487 -0.052 0.000 1.405 313 N HN 0.303 nan 8.380 nan 0.000 0.490 314 N N 2.023 120.729 118.700 0.010 0.000 2.242 314 N HA -0.184 4.559 4.740 0.005 0.000 0.191 314 N C 1.381 176.930 175.510 0.065 0.000 1.005 314 N CA 0.691 53.796 53.050 0.092 0.000 0.877 314 N CB -0.127 38.461 38.487 0.169 0.000 0.983 314 N HN 0.592 nan 8.380 nan 0.000 0.439 315 L N 0.791 121.970 121.223 -0.072 0.000 2.187 315 L HA -0.050 4.293 4.340 0.005 0.000 0.213 315 L C 1.720 178.301 176.870 -0.481 0.000 1.100 315 L CA 1.183 55.743 54.840 -0.465 0.000 0.765 315 L CB -0.406 41.383 42.059 -0.450 0.000 0.904 315 L HN 0.172 nan 8.230 nan 0.000 0.437 316 L N -1.320 119.760 121.223 -0.239 0.000 2.362 316 L HA -0.078 4.265 4.340 0.005 0.000 0.219 316 L C 2.283 179.065 176.870 -0.147 0.000 1.134 316 L CA 0.787 55.513 54.840 -0.190 0.000 0.807 316 L CB -0.643 41.317 42.059 -0.165 0.000 0.927 316 L HN 0.374 nan 8.230 nan 0.000 0.447 317 A N 0.009 122.753 122.820 -0.126 0.000 1.969 317 A HA 0.006 4.329 4.320 0.005 0.000 0.205 317 A C 1.923 179.474 177.584 -0.054 0.000 1.364 317 A CA 0.298 52.321 52.037 -0.023 0.000 0.756 317 A CB -0.536 18.529 19.000 0.109 0.000 0.988 317 A HN 0.337 nan 8.150 nan 0.000 0.490 318 F N 0.895 120.813 119.950 -0.052 0.000 2.171 318 F HA 0.068 4.598 4.527 0.006 0.000 0.300 318 F C -0.714 174.991 175.800 -0.158 0.000 1.090 318 F CA 1.114 59.014 58.000 -0.166 0.000 1.293 318 F CB -2.164 36.818 39.000 -0.030 0.000 1.013 318 F HN 0.105 nan 8.300 nan 0.000 0.486 319 P HA -0.061 nan 4.420 nan 0.000 0.214 319 P C 2.086 179.418 177.300 0.053 0.000 1.163 319 P CA 2.440 65.445 63.100 -0.159 0.000 0.883 319 P CB -0.477 30.963 31.700 -0.435 0.000 0.788 320 G N -0.601 108.227 108.800 0.046 0.000 2.402 320 G HA2 -0.116 3.847 3.960 0.005 0.000 0.216 320 G HA3 -0.116 3.847 3.960 0.005 0.000 0.216 320 G C 0.849 175.811 174.900 0.103 0.000 1.162 320 G CA 0.273 45.459 45.100 0.143 0.000 0.777 320 G HN 0.197 nan 8.290 nan 0.000 0.539 324 G N 1.061 110.015 108.800 0.256 0.000 2.433 324 G HA2 -0.202 3.761 3.960 0.005 0.000 0.216 324 G HA3 -0.202 3.761 3.960 0.005 0.000 0.216 324 G C 1.461 176.400 174.900 0.066 0.000 1.186 324 G CA 1.246 46.389 45.100 0.072 0.000 0.779 324 G HN 0.399 nan 8.290 nan 0.000 0.543 325 A N -0.122 122.736 122.820 0.064 0.000 1.930 325 A HA 0.126 4.449 4.320 0.005 0.000 0.217 325 A C 2.580 180.220 177.584 0.093 0.000 1.175 325 A CA 1.752 53.827 52.037 0.063 0.000 0.627 325 A CB -0.520 18.514 19.000 0.056 0.000 0.815 325 A HN 0.260 nan 8.150 nan 0.000 0.443 326 V N 0.077 120.063 119.914 0.120 0.000 2.453 326 V HA -0.211 3.912 4.120 0.005 0.000 0.247 326 V C 2.405 178.616 176.094 0.196 0.000 1.048 326 V CA 2.052 64.447 62.300 0.158 0.000 1.049 326 V CB -0.675 31.227 31.823 0.132 0.000 0.672 326 V HN 0.607 nan 8.190 nan 0.000 0.457 327 E N -0.093 120.223 120.200 0.193 0.000 2.077 327 E HA -0.235 4.118 4.350 0.005 0.000 0.193 327 E C 2.297 178.935 176.600 0.064 0.000 0.989 327 E CA 1.041 57.548 56.400 0.180 0.000 0.800 327 E CB -0.155 29.673 29.700 0.213 0.000 0.746 327 E HN 0.477 nan 8.360 nan 0.000 0.452 328 K N 0.298 120.723 120.400 0.043 0.000 2.152 328 K HA -0.128 4.195 4.320 0.005 0.000 0.206 328 K C 0.676 177.259 176.600 -0.029 0.000 1.048 328 K CA 0.906 57.190 56.287 -0.004 0.000 0.933 328 K CB 0.033 32.535 32.500 0.003 0.000 0.721 328 K HN 0.073 nan 8.250 nan 0.000 0.447 329 R N -0.739 119.762 120.500 0.003 0.000 3.977 329 R HA -0.160 4.183 4.340 0.005 0.000 0.428 329 R C 0.205 176.524 176.300 0.032 0.000 1.079 329 R CA 0.937 57.039 56.100 0.002 0.000 1.269 329 R CB -2.334 27.854 30.300 -0.188 0.000 1.856 329 R HN 0.310 nan 8.270 nan 0.000 0.551 330 S N 0.158 115.876 115.700 0.030 0.000 2.767 330 S HA 0.546 5.019 4.470 0.005 0.000 0.300 330 S C 0.042 174.678 174.600 0.060 0.000 1.123 330 S CA -1.184 57.040 58.200 0.039 0.000 0.992 330 S CB 1.883 65.096 63.200 0.021 0.000 1.138 330 S HN 0.130 nan 8.310 nan 0.000 0.550 331 K N 0.481 120.918 120.400 0.061 0.000 2.489 331 K HA 0.171 4.494 4.320 0.005 0.000 0.278 331 K C -0.330 176.319 176.600 0.081 0.000 1.000 331 K CA 0.157 56.489 56.287 0.075 0.000 1.012 331 K CB -0.016 32.523 32.500 0.066 0.000 0.903 331 K HN 0.460 nan 8.250 nan 0.000 0.485 332 I N 3.155 123.791 120.570 0.110 0.000 2.598 332 I HA -0.074 4.099 4.170 0.005 0.000 0.284 332 I C 0.989 177.173 176.117 0.110 0.000 1.140 332 I CA 0.450 61.826 61.300 0.127 0.000 1.420 332 I CB 0.291 38.412 38.000 0.201 0.000 1.387 332 I HN 0.726 nan 8.210 nan 0.000 0.553 333 T N 1.929 116.535 114.554 0.086 0.000 2.940 333 T HA 0.302 4.655 4.350 0.005 0.000 0.288 333 T C 0.769 175.501 174.700 0.054 0.000 1.045 333 T CA -0.962 61.174 62.100 0.061 0.000 1.018 333 T CB 2.076 70.965 68.868 0.035 0.000 1.151 333 T HN 0.609 nan 8.240 nan 0.000 0.529 334 K N 0.630 121.039 120.400 0.015 0.000 2.032 334 K HA -0.120 4.203 4.320 0.005 0.000 0.209 334 K C 0.928 177.508 176.600 -0.035 0.000 1.048 334 K CA 1.079 57.342 56.287 -0.040 0.000 0.927 334 K CB -0.284 32.167 32.500 -0.081 0.000 0.712 334 K HN 0.527 nan 8.250 nan 0.000 0.441 338 L N 0.241 121.514 121.223 0.083 0.000 2.156 338 L HA -0.040 4.303 4.340 0.005 0.000 0.208 338 L C 2.435 179.343 176.870 0.063 0.000 1.095 338 L CA 1.248 56.125 54.840 0.062 0.000 0.770 338 L CB -0.278 41.770 42.059 -0.018 0.000 0.914 338 L HN 0.198 nan 8.230 nan 0.000 0.439 339 S N 0.279 116.007 115.700 0.046 0.000 2.370 339 S HA -0.198 4.275 4.470 0.005 0.000 0.226 339 S C 2.237 176.865 174.600 0.046 0.000 1.033 339 S CA 1.275 59.495 58.200 0.033 0.000 1.011 339 S CB -0.292 62.915 63.200 0.013 0.000 0.852 339 S HN 0.513 nan 8.310 nan 0.000 0.457 340 A N 1.230 124.091 122.820 0.068 0.000 1.902 340 A HA -0.038 4.285 4.320 0.005 0.000 0.217 340 A C 2.356 179.987 177.584 0.079 0.000 1.181 340 A CA 1.483 53.562 52.037 0.070 0.000 0.623 340 A CB -0.974 18.082 19.000 0.094 0.000 0.818 340 A HN 0.328 nan 8.150 nan 0.000 0.443 341 V N 0.547 120.533 119.914 0.120 0.000 2.255 341 V HA -0.267 3.856 4.120 0.005 0.000 0.247 341 V C 2.583 178.729 176.094 0.086 0.000 1.051 341 V CA 2.294 64.669 62.300 0.126 0.000 1.018 341 V CB -0.762 31.174 31.823 0.189 0.000 0.641 341 V HN 0.560 nan 8.190 nan 0.000 0.445 342 E N 0.115 120.358 120.200 0.073 0.000 2.110 342 E HA -0.176 4.177 4.350 0.005 0.000 0.193 342 E C 2.324 178.945 176.600 0.036 0.000 0.988 342 E CA 1.441 57.873 56.400 0.052 0.000 0.804 342 E CB -0.448 29.277 29.700 0.041 0.000 0.745 342 E HN 0.600 nan 8.360 nan 0.000 0.458 343 A N 1.382 124.220 122.820 0.030 0.000 1.873 343 A HA -0.132 4.191 4.320 0.005 0.000 0.215 343 A C 2.328 179.915 177.584 0.004 0.000 1.186 343 A CA 1.021 53.067 52.037 0.015 0.000 0.616 343 A CB -0.644 18.364 19.000 0.013 0.000 0.823 343 A HN 0.142 nan 8.150 nan 0.000 0.442 344 I N -0.151 120.422 120.570 0.004 0.000 2.179 344 I HA -0.298 3.875 4.170 0.005 0.000 0.242 344 I C 2.979 179.094 176.117 -0.003 0.000 1.088 344 I CA 1.109 62.399 61.300 -0.016 0.000 1.357 344 I CB -0.348 37.642 38.000 -0.016 0.000 1.051 344 I HN 0.362 nan 8.210 nan 0.000 0.409 345 A N 1.696 124.529 122.820 0.022 0.000 1.902 345 A HA -0.224 4.099 4.320 0.005 0.000 0.217 345 A C 2.273 179.869 177.584 0.019 0.000 1.181 345 A CA 1.966 54.021 52.037 0.030 0.000 0.623 345 A CB -0.661 18.370 19.000 0.051 0.000 0.818 345 A HN 0.580 nan 8.150 nan 0.000 0.443 346 R N -1.023 119.487 120.500 0.016 0.000 2.313 346 R HA 0.237 4.580 4.340 0.005 0.000 0.199 346 R C 1.025 177.327 176.300 0.004 0.000 0.958 346 R CA 1.016 57.123 56.100 0.013 0.000 1.047 346 R CB -0.383 29.926 30.300 0.015 0.000 0.955 346 R HN 0.183 nan 8.270 nan 0.000 0.481 347 S N 0.562 116.259 115.700 -0.005 0.000 2.660 347 S HA 0.070 4.543 4.470 0.005 0.000 0.223 347 S C 0.438 175.030 174.600 -0.013 0.000 0.963 347 S CA 0.275 58.465 58.200 -0.016 0.000 0.932 347 S CB -0.492 62.684 63.200 -0.040 0.000 0.775 347 S HN 0.638 nan 8.310 nan 0.000 0.531 348 C N -0.542 118.755 119.300 -0.005 0.000 3.288 348 C HA 0.630 5.093 4.460 0.005 0.000 0.318 348 C C -1.336 173.657 174.990 0.006 0.000 1.356 348 C CA -1.202 57.815 59.018 -0.002 0.000 1.359 348 C CB 1.135 28.872 27.740 -0.006 0.000 1.688 348 C HN 0.018 nan 8.230 nan 0.000 0.467 349 E N 2.714 122.919 120.200 0.007 0.000 2.089 349 E HA 0.411 4.764 4.350 0.005 0.000 0.284 349 E C -2.353 174.254 176.600 0.011 0.000 1.023 349 E CA -1.725 54.682 56.400 0.011 0.000 0.819 349 E CB 1.118 30.825 29.700 0.012 0.000 1.076 349 E HN 0.529 nan 8.360 nan 0.000 0.396 350 P HA 0.019 nan 4.420 nan 0.000 0.268 350 P C -0.589 176.718 177.300 0.013 0.000 1.205 350 P CA 0.142 63.251 63.100 0.015 0.000 0.771 350 P CB 0.597 32.312 31.700 0.026 0.000 0.858 351 E N 2.880 123.079 120.200 -0.002 0.000 2.408 351 E HA 0.409 4.762 4.350 0.005 0.000 0.275 351 E C -2.542 174.025 176.600 -0.055 0.000 0.935 351 E CA -2.323 54.070 56.400 -0.011 0.000 0.775 351 E CB 0.546 30.243 29.700 -0.006 0.000 1.277 351 E HN -0.025 nan 8.360 nan 0.000 0.455 352 P HA -0.221 nan 4.420 nan 0.000 0.217 352 P C 0.570 177.775 177.300 -0.158 0.000 1.151 352 P CA 1.277 64.230 63.100 -0.245 0.000 0.849 352 P CB 0.208 31.685 31.700 -0.371 0.000 0.787 353 E N -1.609 118.536 120.200 -0.091 0.000 2.479 353 E HA 0.049 4.402 4.350 0.005 0.000 0.193 353 E C 0.729 177.307 176.600 -0.037 0.000 1.049 353 E CA 0.184 56.550 56.400 -0.056 0.000 0.870 353 E CB 0.286 29.965 29.700 -0.035 0.000 0.944 353 E HN 0.209 nan 8.360 nan 0.000 0.492 354 R N 1.295 121.772 120.500 -0.037 0.000 3.101 354 R HA 0.143 4.486 4.340 0.005 0.000 0.242 354 R C 0.694 176.982 176.300 -0.021 0.000 1.831 354 R CA 0.040 56.125 56.100 -0.025 0.000 1.321 354 R CB -0.113 30.178 30.300 -0.014 0.000 1.512 354 R HN 0.067 nan 8.270 nan 0.000 0.568 355 I N 1.226 121.782 120.570 -0.024 0.000 3.728 355 I HA 0.301 4.474 4.170 0.005 0.000 0.307 355 I C 0.112 176.226 176.117 -0.005 0.000 1.276 355 I CA 0.113 61.411 61.300 -0.003 0.000 1.285 355 I CB 0.160 38.173 38.000 0.022 0.000 1.038 355 I HN 0.268 nan 8.210 nan 0.000 0.445 356 I N -2.408 118.147 120.570 -0.026 0.000 3.102 356 I HA 0.676 4.849 4.170 0.005 0.000 0.310 356 I C -2.902 173.195 176.117 -0.033 0.000 1.246 356 I CA -2.430 58.852 61.300 -0.030 0.000 0.979 356 I CB 1.329 39.300 38.000 -0.048 0.000 1.267 356 I HN -0.304 nan 8.210 nan 0.000 0.451 357 P HA 0.279 nan 4.420 nan 0.000 0.273 357 P C -1.027 176.251 177.300 -0.036 0.000 1.250 357 P CA -0.098 62.980 63.100 -0.037 0.000 0.793 357 P CB 0.421 32.084 31.700 -0.062 0.000 1.011 358 E N -0.474 119.724 120.200 -0.003 0.000 2.314 358 E HA 0.407 4.760 4.350 0.005 0.000 0.262 358 E C 1.169 177.774 176.600 0.007 0.000 1.093 358 E CA -0.505 55.915 56.400 0.032 0.000 0.908 358 E CB 0.315 30.079 29.700 0.107 0.000 1.091 358 E HN 0.362 nan 8.360 nan 0.000 0.425 359 A N 1.109 123.927 122.820 -0.004 0.000 2.015 359 A HA -0.100 4.223 4.320 0.005 0.000 0.219 359 A C 1.236 178.789 177.584 -0.051 0.000 1.163 359 A CA 1.080 53.033 52.037 -0.140 0.000 0.646 359 A CB -0.440 18.361 19.000 -0.333 0.000 0.806 359 A HN 0.598 nan 8.150 nan 0.000 0.448 360 F N 0.303 120.341 119.950 0.146 0.000 2.811 360 F HA 0.101 4.630 4.527 0.004 0.000 0.301 360 F C 1.090 176.988 175.800 0.163 0.000 1.151 360 F CA -0.246 57.898 58.000 0.240 0.000 1.412 360 F CB -0.094 39.009 39.000 0.172 0.000 1.113 360 F HN 0.149 nan 8.300 nan 0.000 0.579 364 V N 2.416 122.239 119.914 -0.152 0.000 2.295 364 V HA -0.266 3.857 4.120 0.005 0.000 0.246 364 V C 2.053 178.004 176.094 -0.239 0.000 1.049 364 V CA 1.961 64.108 62.300 -0.255 0.000 1.024 364 V CB -0.625 30.932 31.823 -0.443 0.000 0.648 364 V HN 0.320 nan 8.190 nan 0.000 0.447 365 H N -0.509 118.555 119.070 -0.010 0.000 2.389 365 H HA -0.031 4.528 4.556 0.006 0.000 0.299 365 H C 2.380 177.745 175.328 0.061 0.000 1.081 365 H CA 1.439 57.484 56.048 -0.005 0.000 1.345 365 H CB -0.301 29.456 29.762 -0.008 0.000 1.393 365 H HN 0.326 nan 8.280 nan 0.000 0.520 366 L N 0.791 122.107 121.223 0.155 0.000 1.989 366 L HA -0.214 4.129 4.340 0.005 0.000 0.211 366 L C 2.191 179.165 176.870 0.174 0.000 1.071 366 L CA 1.170 56.105 54.840 0.159 0.000 0.749 366 L CB -0.251 41.870 42.059 0.103 0.000 0.890 366 L HN 0.243 nan 8.230 nan 0.000 0.431 367 N N -0.609 118.143 118.700 0.087 0.000 2.188 367 N HA -0.127 4.616 4.740 0.005 0.000 0.184 367 N C 1.803 177.347 175.510 0.055 0.000 1.018 367 N CA 1.092 54.178 53.050 0.060 0.000 0.858 367 N CB -0.432 38.068 38.487 0.020 0.000 0.989 367 N HN 0.134 nan 8.380 nan 0.000 0.426 368 V N 1.051 120.999 119.914 0.056 0.000 2.307 368 V HA -0.241 3.882 4.120 0.005 0.000 0.245 368 V C 2.110 178.248 176.094 0.074 0.000 1.045 368 V CA 1.395 63.725 62.300 0.050 0.000 1.024 368 V CB -0.792 31.053 31.823 0.038 0.000 0.651 368 V HN 0.240 nan 8.190 nan 0.000 0.449 369 Y N 1.652 121.970 120.300 0.030 0.000 2.081 369 Y HA -0.340 4.213 4.550 0.005 0.000 0.280 369 Y C 2.651 178.571 175.900 0.033 0.000 1.163 369 Y CA 2.538 60.661 58.100 0.038 0.000 1.135 369 Y CB -0.923 37.569 38.460 0.054 0.000 0.970 369 Y HN 0.205 nan 8.280 nan 0.000 0.498 370 T N 0.901 115.386 114.554 -0.115 0.000 2.746 370 T HA -0.195 4.158 4.350 0.005 0.000 0.267 370 T C 2.087 176.676 174.700 -0.185 0.000 1.039 370 T CA 1.607 63.580 62.100 -0.211 0.000 1.142 370 T CB -0.816 68.058 68.868 0.010 0.000 0.866 370 T HN 0.547 nan 8.240 nan 0.000 0.444 371 A N 0.730 123.496 122.820 -0.090 0.000 1.902 371 A HA -0.040 4.283 4.320 0.005 0.000 0.217 371 A C 2.563 180.102 177.584 -0.075 0.000 1.181 371 A CA 1.403 53.406 52.037 -0.057 0.000 0.623 371 A CB -0.897 18.094 19.000 -0.015 0.000 0.818 371 A HN 0.368 nan 8.150 nan 0.000 0.443 372 V N 0.078 119.936 119.914 -0.093 0.000 2.323 372 V HA -0.205 3.918 4.120 0.005 0.000 0.244 372 V C 2.667 178.684 176.094 -0.128 0.000 1.041 372 V CA 2.169 64.421 62.300 -0.079 0.000 1.025 372 V CB -0.821 30.974 31.823 -0.047 0.000 0.656 372 V HN 0.641 nan 8.190 nan 0.000 0.451 373 K N 0.808 121.050 120.400 -0.263 0.000 2.074 373 K HA -0.168 4.155 4.320 0.005 0.000 0.209 373 K C 2.023 178.532 176.600 -0.151 0.000 1.048 373 K CA 1.718 57.845 56.287 -0.267 0.000 0.926 373 K CB -1.134 31.040 32.500 -0.544 0.000 0.713 373 K HN 0.692 nan 8.250 nan 0.000 0.444 374 G N -0.495 108.224 108.800 -0.136 0.000 2.813 374 G HA2 0.064 4.027 3.960 0.005 0.000 0.209 374 G HA3 0.064 4.027 3.960 0.005 0.000 0.209 374 G C 0.478 175.347 174.900 -0.051 0.000 1.150 374 G CA 0.337 45.389 45.100 -0.080 0.000 0.785 374 G HN 0.457 nan 8.290 nan 0.000 0.535 375 S N -0.138 115.535 115.700 -0.046 0.000 2.541 375 S HA 0.722 5.195 4.470 0.005 0.000 0.283 375 S C 0.333 174.922 174.600 -0.018 0.000 1.196 375 S CA -0.332 57.852 58.200 -0.026 0.000 1.062 375 S CB 1.731 64.921 63.200 -0.017 0.000 1.009 375 S HN 0.509 nan 8.310 nan 0.000 0.502 376 A N 0.000 122.813 122.820 -0.012 0.000 2.254 376 A HA 0.000 4.323 4.320 0.005 0.000 0.244 376 A CA 0.000 52.033 52.037 -0.007 0.000 0.836 376 A CB 0.000 18.995 19.000 -0.008 0.000 0.831 376 A HN 0.000 nan 8.150 nan 0.000 0.486