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 1p6c_1_B DATA FIRST_RESID 35 DATA SEQUENCE DRINTVRGPI TISEAGFTLT HEHICGSSAG FLRAWPEFFG SRKALAEKAV DATA SEQUENCE RGLRRARAAG VRTIVDVSTF DIGRDVSLLA EVSRAADVHI VAATGLWFDP DATA SEQUENCE PLSMRLRSVE ELTQFFLREI QYGIEDTGIR AGIIXVATTG KATPFQELVL DATA SEQUENCE KAAARASLAT GVPVTTHTAA SQRDGEQQAA IFESEGLSPS RVCIGHSDDT DATA SEQUENCE DDLSYLTALA ARGYLIGLDG IPWSAIGLED NASASALLGI RSWQTRALLI DATA SEQUENCE KALIDQGYMK QILVSNDWTF GFSSYVTNIM DVMDRVNPDG MAFIPLRVIP DATA SEQUENCE FLREKGVPQE TLAGITVTNP ARFLSPTLRA 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 35 D HA 0.000 nan 4.640 nan 0.000 0.175 35 D C 0.000 176.276 176.300 -0.039 0.000 2.045 35 D CA 0.000 53.980 54.000 -0.034 0.000 0.868 35 D CB 0.000 40.784 40.800 -0.027 0.000 0.688 36 R N 0.572 121.044 120.500 -0.047 0.000 2.599 36 R HA 0.718 5.058 4.340 0.001 0.000 0.295 36 R C -0.686 175.574 176.300 -0.067 0.000 0.963 36 R CA -0.557 55.510 56.100 -0.055 0.000 0.883 36 R CB 2.458 32.728 30.300 -0.051 0.000 1.171 36 R HN 0.024 nan 8.270 nan 0.000 0.450 37 I N 2.372 122.895 120.570 -0.078 0.000 2.392 37 I HA 0.219 4.390 4.170 0.001 0.000 0.295 37 I C -0.195 175.866 176.117 -0.093 0.000 0.985 37 I CA -0.846 60.402 61.300 -0.087 0.000 1.221 37 I CB 1.471 39.420 38.000 -0.086 0.000 1.366 37 I HN 0.395 nan 8.210 nan 0.000 0.467 38 N N 4.501 123.150 118.700 -0.085 0.000 2.442 38 N HA 0.213 4.954 4.740 0.001 0.000 0.265 38 N C -0.191 175.275 175.510 -0.073 0.000 1.138 38 N CA -0.038 52.966 53.050 -0.077 0.000 0.956 38 N CB 1.158 39.602 38.487 -0.071 0.000 1.067 38 N HN 0.682 nan 8.380 nan 0.000 0.474 39 T N -3.048 111.465 114.554 -0.069 0.000 2.926 39 T HA 0.323 4.673 4.350 0.001 0.000 0.289 39 T C 1.352 176.037 174.700 -0.025 0.000 1.054 39 T CA -0.849 61.223 62.100 -0.047 0.000 1.015 39 T CB 0.832 69.662 68.868 -0.062 0.000 1.167 39 T HN 0.102 nan 8.240 nan 0.000 0.526 40 V N -1.025 118.888 119.914 -0.001 0.000 3.241 40 V HA 0.196 4.316 4.120 0.001 0.000 0.269 40 V C 1.824 177.921 176.094 0.005 0.000 1.151 40 V CA 0.820 63.121 62.300 0.001 0.000 1.158 40 V CB -1.305 30.525 31.823 0.012 0.000 0.764 40 V HN 0.844 nan 8.190 nan 0.000 0.508 41 R N 0.552 121.059 120.500 0.013 0.000 2.397 41 R HA 0.537 4.877 4.340 0.001 0.000 0.241 41 R C 0.853 177.149 176.300 -0.006 0.000 0.914 41 R CA 0.531 56.641 56.100 0.016 0.000 1.071 41 R CB 0.936 31.267 30.300 0.052 0.000 1.116 41 R HN 0.714 nan 8.270 nan 0.000 0.524 42 G N 1.238 110.022 108.800 -0.026 0.000 2.353 42 G HA2 -0.120 3.841 3.960 0.001 0.000 0.615 42 G HA3 -0.120 3.841 3.960 0.001 0.000 0.615 42 G C -3.082 171.779 174.900 -0.064 0.000 1.280 42 G CA -1.282 43.794 45.100 -0.040 0.000 1.000 42 G HN -0.166 nan 8.290 nan 0.000 0.516 43 P HA 0.581 nan 4.420 nan 0.000 0.275 43 P C -0.038 177.200 177.300 -0.103 0.000 1.228 43 P CA -0.184 62.868 63.100 -0.079 0.000 0.786 43 P CB 0.933 32.597 31.700 -0.061 0.000 0.927 44 I N -1.677 118.813 120.570 -0.133 0.000 2.828 44 I HA 0.613 4.784 4.170 0.001 0.000 0.302 44 I C -0.033 176.021 176.117 -0.105 0.000 1.101 44 I CA -1.027 60.177 61.300 -0.159 0.000 1.031 44 I CB 2.398 40.203 38.000 -0.325 0.000 1.231 44 I HN 0.235 nan 8.210 nan 0.000 0.427 45 T N 1.633 116.142 114.554 -0.075 0.000 2.904 45 T HA 0.345 4.695 4.350 0.001 0.000 0.290 45 T C 1.425 176.100 174.700 -0.042 0.000 1.018 45 T CA -0.779 61.293 62.100 -0.047 0.000 1.075 45 T CB 1.137 69.989 68.868 -0.027 0.000 0.986 45 T HN 0.534 nan 8.240 nan 0.000 0.523 46 I N 1.642 122.194 120.570 -0.030 0.000 2.248 46 I HA -0.198 3.973 4.170 0.001 0.000 0.248 46 I C 2.658 178.774 176.117 -0.001 0.000 1.107 46 I CA 1.634 62.923 61.300 -0.018 0.000 1.373 46 I CB -2.209 35.782 38.000 -0.015 0.000 1.055 46 I HN 0.828 nan 8.210 nan 0.000 0.418 47 S N 0.907 116.608 115.700 0.002 0.000 2.447 47 S HA -0.135 4.336 4.470 0.001 0.000 0.233 47 S C 1.575 176.195 174.600 0.034 0.000 1.006 47 S CA 0.777 58.986 58.200 0.016 0.000 0.957 47 S CB -0.500 62.708 63.200 0.013 0.000 0.773 47 S HN 0.594 nan 8.310 nan 0.000 0.507 48 E N 1.546 121.765 120.200 0.032 0.000 2.435 48 E HA 0.227 4.578 4.350 0.001 0.000 0.195 48 E C 2.116 178.790 176.600 0.123 0.000 1.029 48 E CA 0.441 56.887 56.400 0.077 0.000 0.865 48 E CB -0.245 29.490 29.700 0.058 0.000 0.833 48 E HN 0.639 nan 8.360 nan 0.000 0.510 49 A N 1.819 124.683 122.820 0.074 0.000 1.902 49 A HA 0.045 4.366 4.320 0.001 0.000 0.217 49 A C 1.657 179.335 177.584 0.157 0.000 1.181 49 A CA 1.304 53.409 52.037 0.114 0.000 0.623 49 A CB -1.118 17.916 19.000 0.057 0.000 0.818 49 A HN 0.338 nan 8.150 nan 0.000 0.443 50 G N -1.425 107.446 108.800 0.118 0.000 2.591 50 G HA2 -0.240 3.721 3.960 0.001 0.000 0.278 50 G HA3 -0.240 3.721 3.960 0.001 0.000 0.278 50 G C 0.022 175.030 174.900 0.180 0.000 1.293 50 G CA 0.027 45.207 45.100 0.133 0.000 0.930 50 G HN 1.096 nan 8.290 nan 0.000 0.562 51 F N 2.519 122.494 119.950 0.041 0.000 2.477 51 F HA 0.366 4.894 4.527 0.001 0.000 0.392 51 F C 1.185 177.016 175.800 0.051 0.000 1.028 51 F CA 0.845 58.868 58.000 0.039 0.000 1.069 51 F CB -0.287 38.730 39.000 0.027 0.000 0.970 51 F HN 0.449 nan 8.300 nan 0.000 0.540 52 T N 7.888 122.641 114.554 0.332 0.000 2.779 52 T HA 0.476 4.826 4.350 0.001 0.000 0.280 52 T C -0.181 174.679 174.700 0.267 0.000 0.987 52 T CA -0.634 61.623 62.100 0.262 0.000 0.966 52 T CB 1.088 70.043 68.868 0.145 0.000 0.933 52 T HN 0.345 nan 8.240 nan 0.000 0.442 53 L N 3.667 125.040 121.223 0.250 0.000 2.255 53 L HA 0.307 4.648 4.340 0.001 0.000 0.289 53 L C 1.713 178.671 176.870 0.148 0.000 1.046 53 L CA -0.562 54.403 54.840 0.209 0.000 0.816 53 L CB 1.088 43.260 42.059 0.187 0.000 1.197 53 L HN 0.861 nan 8.230 nan 0.000 0.427 54 T N -1.982 112.653 114.554 0.135 0.000 3.100 54 T HA -0.032 4.318 4.350 0.001 0.000 0.253 54 T C 0.487 175.257 174.700 0.116 0.000 1.118 54 T CA 0.398 62.571 62.100 0.122 0.000 1.058 54 T CB -0.280 68.660 68.868 0.121 0.000 0.953 54 T HN 0.586 nan 8.240 nan 0.000 0.515 55 H N 0.584 119.658 119.070 0.006 0.000 3.108 55 H HA 0.455 5.012 4.556 0.001 0.000 0.301 55 H C -0.982 174.308 175.328 -0.063 0.000 1.139 55 H CA -0.589 55.428 56.048 -0.052 0.000 1.552 55 H CB 0.603 30.336 29.762 -0.049 0.000 1.663 55 H HN 0.068 nan 8.280 nan 0.000 0.517 56 E N 2.497 122.656 120.200 -0.069 0.000 2.446 56 E HA 0.374 4.725 4.350 0.001 0.000 0.269 56 E C -0.933 175.444 176.600 -0.372 0.000 0.977 56 E CA -0.929 55.451 56.400 -0.034 0.000 0.854 56 E CB 2.208 31.937 29.700 0.048 0.000 1.545 56 E HN 0.600 nan 8.360 nan 0.000 0.448 57 H N 0.222 119.266 119.070 -0.044 0.000 3.029 57 H HA 0.276 4.833 4.556 0.001 0.000 0.358 57 H C 0.698 175.962 175.328 -0.108 0.000 1.129 57 H CA -0.534 55.448 56.048 -0.111 0.000 1.230 57 H CB 1.743 31.387 29.762 -0.196 0.000 1.827 57 H HN 0.245 nan 8.280 nan 0.000 0.530 58 I N 0.595 121.223 120.570 0.097 0.000 2.333 58 I HA -0.058 4.113 4.170 0.001 0.000 0.246 58 I C 1.154 177.340 176.117 0.114 0.000 1.106 58 I CA 1.007 62.421 61.300 0.189 0.000 1.411 58 I CB -0.016 38.084 38.000 0.167 0.000 1.082 58 I HN 0.392 nan 8.210 nan 0.000 0.420 59 C N 0.253 119.554 119.300 0.001 0.000 2.782 59 C HA 0.752 5.213 4.460 0.001 0.000 0.328 59 C C 0.217 175.111 174.990 -0.160 0.000 1.145 59 C CA -0.561 58.406 59.018 -0.086 0.000 1.358 59 C CB 0.754 28.399 27.740 -0.159 0.000 1.841 59 C HN 0.503 nan 8.230 nan 0.000 0.477 60 G N 3.684 112.349 108.800 -0.225 0.000 2.655 60 G HA2 0.552 4.513 3.960 0.001 0.000 0.334 60 G HA3 0.552 4.513 3.960 0.001 0.000 0.334 60 G C -0.201 174.648 174.900 -0.086 0.000 1.099 60 G CA 0.245 45.121 45.100 -0.373 0.000 1.075 60 G HN 0.987 nan 8.290 nan 0.000 0.463 61 S N 1.301 116.916 115.700 -0.142 0.000 3.848 61 S HA 0.854 5.324 4.470 0.001 0.000 0.266 61 S C 0.028 174.516 174.600 -0.188 0.000 1.050 61 S CA -0.332 57.804 58.200 -0.106 0.000 1.322 61 S CB 1.229 64.477 63.200 0.080 0.000 1.264 61 S HN 0.523 nan 8.310 nan 0.000 0.751 62 S N 0.379 115.991 115.700 -0.147 0.000 2.595 62 S HA 0.771 5.241 4.470 0.001 0.000 0.281 62 S C -0.826 173.736 174.600 -0.062 0.000 1.117 62 S CA -0.311 57.821 58.200 -0.114 0.000 0.873 62 S CB 1.461 64.596 63.200 -0.108 0.000 1.108 62 S HN 1.022 nan 8.310 nan 0.000 0.477 63 A N 0.621 123.323 122.820 -0.196 0.000 2.548 63 A HA 0.487 4.807 4.320 0.001 0.000 0.247 63 A C 1.533 179.078 177.584 -0.065 0.000 1.067 63 A CA 0.676 52.526 52.037 -0.312 0.000 0.757 63 A CB -1.299 17.226 19.000 -0.791 0.000 0.996 63 A HN 2.042 nan 8.150 nan 0.000 0.504 64 G N 1.566 110.368 108.800 0.003 0.000 2.245 64 G HA2 -0.382 3.579 3.960 0.001 0.000 0.264 64 G HA3 -0.382 3.579 3.960 0.001 0.000 0.264 64 G C 0.888 175.879 174.900 0.152 0.000 0.985 64 G CA 1.026 46.174 45.100 0.081 0.000 0.625 64 G HN 1.167 nan 8.290 nan 0.000 0.536 65 F N 0.651 120.627 119.950 0.043 0.000 2.102 65 F HA 0.104 4.632 4.527 0.002 0.000 0.298 65 F C 2.488 178.406 175.800 0.196 0.000 1.105 65 F CA 2.308 60.375 58.000 0.111 0.000 1.239 65 F CB -0.235 38.809 39.000 0.073 0.000 0.991 65 F HN 0.226 nan 8.300 nan 0.000 0.474 66 L N 0.775 122.212 121.223 0.357 0.000 2.079 66 L HA -0.169 4.172 4.340 0.001 0.000 0.210 66 L C 2.336 179.284 176.870 0.131 0.000 1.081 66 L CA 1.768 56.767 54.840 0.264 0.000 0.752 66 L CB -0.699 41.432 42.059 0.119 0.000 0.896 66 L HN 0.058 nan 8.230 nan 0.000 0.433 67 R N -1.295 119.259 120.500 0.090 0.000 2.193 67 R HA 0.060 4.401 4.340 0.001 0.000 0.213 67 R C 2.013 178.336 176.300 0.037 0.000 1.055 67 R CA 0.849 56.986 56.100 0.061 0.000 0.995 67 R CB -0.204 30.129 30.300 0.054 0.000 0.893 67 R HN 0.490 nan 8.270 nan 0.000 0.459 68 A N -0.689 122.133 122.820 0.003 0.000 2.044 68 A HA -0.045 4.276 4.320 0.001 0.000 0.213 68 A C 0.515 178.084 177.584 -0.025 0.000 1.169 68 A CA 0.331 52.346 52.037 -0.036 0.000 0.724 68 A CB 0.181 19.145 19.000 -0.059 0.000 0.840 68 A HN 0.410 nan 8.150 nan 0.000 0.463 69 W N 0.873 121.968 121.300 -0.341 0.000 1.485 69 W HA 0.378 5.038 4.660 0.000 0.000 0.305 69 W C -2.651 173.791 176.519 -0.129 0.000 0.879 69 W CA -2.302 54.842 57.345 -0.335 0.000 1.822 69 W CB 0.981 30.020 29.460 -0.702 0.000 1.990 69 W HN 0.133 nan 8.180 nan 0.000 0.441 70 P HA -0.184 nan 4.420 nan 0.000 0.218 70 P C 0.976 178.463 177.300 0.311 0.000 1.149 70 P CA 1.814 65.111 63.100 0.328 0.000 0.817 70 P CB 0.481 32.308 31.700 0.211 0.000 0.785 71 E N -0.841 119.509 120.200 0.250 0.000 2.265 71 E HA -0.152 4.199 4.350 0.001 0.000 0.196 71 E C 1.620 178.214 176.600 -0.009 0.000 0.996 71 E CA 0.588 57.086 56.400 0.164 0.000 0.832 71 E CB -1.288 28.538 29.700 0.209 0.000 0.756 71 E HN 0.260 nan 8.360 nan 0.000 0.491 72 F N -0.158 119.532 119.950 -0.433 0.000 2.250 72 F HA -0.161 4.367 4.527 0.001 0.000 0.301 72 F C 0.845 176.287 175.800 -0.596 0.000 1.077 72 F CA 1.098 58.614 58.000 -0.807 0.000 1.348 72 F CB 0.072 38.308 39.000 -1.272 0.000 1.040 72 F HN -0.035 nan 8.300 nan 0.000 0.509 73 F N -0.044 119.926 119.950 0.034 0.000 2.668 73 F HA 0.395 4.922 4.527 0.000 0.000 0.297 73 F C 1.575 177.363 175.800 -0.020 0.000 1.124 73 F CA 0.391 58.406 58.000 0.026 0.000 1.353 73 F CB 0.170 39.253 39.000 0.138 0.000 0.992 73 F HN 0.144 nan 8.300 nan 0.000 0.524 74 G N 0.638 109.470 108.800 0.052 0.000 4.365 74 G HA2 -0.233 3.728 3.960 0.001 0.000 0.214 74 G HA3 -0.233 3.728 3.960 0.001 0.000 0.214 74 G C 0.265 175.218 174.900 0.089 0.000 1.450 74 G CA 0.146 45.274 45.100 0.047 0.000 0.937 74 G HN 0.976 nan 8.290 nan 0.000 0.625 75 S N -1.324 114.457 115.700 0.136 0.000 2.633 75 S HA 0.587 5.057 4.470 0.001 0.000 0.271 75 S C 0.379 175.054 174.600 0.125 0.000 1.112 75 S CA 0.698 58.973 58.200 0.125 0.000 0.828 75 S CB 1.200 64.446 63.200 0.078 0.000 1.086 75 S HN 1.489 nan 8.310 nan 0.000 0.461 76 R N 1.343 121.903 120.500 0.100 0.000 2.092 76 R HA 0.110 4.450 4.340 0.001 0.000 0.231 76 R C 1.962 178.278 176.300 0.027 0.000 1.119 76 R CA 1.554 57.689 56.100 0.059 0.000 0.970 76 R CB -0.353 29.977 30.300 0.050 0.000 0.864 76 R HN 0.647 nan 8.270 nan 0.000 0.440 77 K N 0.158 120.577 120.400 0.031 0.000 2.057 77 K HA -0.099 4.222 4.320 0.001 0.000 0.207 77 K C 1.938 178.544 176.600 0.011 0.000 1.049 77 K CA 1.391 57.687 56.287 0.015 0.000 0.931 77 K CB -0.177 32.333 32.500 0.017 0.000 0.714 77 K HN 0.318 nan 8.250 nan 0.000 0.440 78 A N 1.544 124.382 122.820 0.029 0.000 1.877 78 A HA -0.175 4.146 4.320 0.001 0.000 0.216 78 A C 2.116 179.713 177.584 0.021 0.000 1.186 78 A CA 1.403 53.457 52.037 0.028 0.000 0.620 78 A CB -0.650 18.380 19.000 0.049 0.000 0.822 78 A HN 0.381 nan 8.150 nan 0.000 0.443 79 L N -0.156 121.089 121.223 0.036 0.000 2.012 79 L HA -0.133 4.208 4.340 0.001 0.000 0.210 79 L C 2.682 179.526 176.870 -0.043 0.000 1.073 79 L CA 2.418 57.264 54.840 0.011 0.000 0.748 79 L CB -0.680 41.355 42.059 -0.039 0.000 0.891 79 L HN 0.356 nan 8.230 nan 0.000 0.431 80 A N -0.652 122.141 122.820 -0.046 0.000 1.892 80 A HA -0.308 4.012 4.320 0.001 0.000 0.218 80 A C 2.203 179.729 177.584 -0.098 0.000 1.188 80 A CA 2.189 54.186 52.037 -0.066 0.000 0.631 80 A CB -0.880 18.095 19.000 -0.042 0.000 0.822 80 A HN 0.640 nan 8.150 nan 0.000 0.447 81 E N -0.789 119.367 120.200 -0.072 0.000 2.110 81 E HA -0.200 4.151 4.350 0.001 0.000 0.193 81 E C 2.111 178.636 176.600 -0.124 0.000 0.988 81 E CA 1.422 57.774 56.400 -0.080 0.000 0.804 81 E CB -0.084 29.589 29.700 -0.045 0.000 0.745 81 E HN 0.668 nan 8.360 nan 0.000 0.458 82 K N 0.364 120.687 120.400 -0.128 0.000 2.057 82 K HA -0.114 4.206 4.320 0.001 0.000 0.206 82 K C 2.098 178.419 176.600 -0.465 0.000 1.050 82 K CA 1.096 57.279 56.287 -0.173 0.000 0.935 82 K CB -0.078 32.385 32.500 -0.060 0.000 0.715 82 K HN 0.091 nan 8.250 nan 0.000 0.439 83 A N 0.660 123.138 122.820 -0.571 0.000 1.902 83 A HA -0.113 4.208 4.320 0.001 0.000 0.217 83 A C 2.219 179.414 177.584 -0.648 0.000 1.181 83 A CA 1.629 53.048 52.037 -1.029 0.000 0.623 83 A CB -0.642 18.089 19.000 -0.449 0.000 0.818 83 A HN 0.176 nan 8.150 nan 0.000 0.443 84 V N 0.119 119.837 119.914 -0.326 0.000 2.343 84 V HA -0.274 3.846 4.120 0.001 0.000 0.247 84 V C 2.638 178.624 176.094 -0.180 0.000 1.051 84 V CA 2.175 64.359 62.300 -0.194 0.000 1.036 84 V CB -0.849 30.902 31.823 -0.119 0.000 0.654 84 V HN 0.520 nan 8.190 nan 0.000 0.451 85 R N 0.285 120.669 120.500 -0.193 0.000 2.088 85 R HA -0.145 4.195 4.340 0.001 0.000 0.232 85 R C 2.512 178.743 176.300 -0.116 0.000 1.136 85 R CA 1.760 57.782 56.100 -0.131 0.000 0.926 85 R CB -1.169 29.073 30.300 -0.098 0.000 0.837 85 R HN 0.565 nan 8.270 nan 0.000 0.429 86 G N 1.007 109.707 108.800 -0.167 0.000 2.462 86 G HA2 -0.215 3.745 3.960 0.001 0.000 0.220 86 G HA3 -0.215 3.745 3.960 0.001 0.000 0.220 86 G C 1.445 176.382 174.900 0.062 0.000 1.121 86 G CA 0.460 45.568 45.100 0.013 0.000 0.758 86 G HN 0.137 nan 8.290 nan 0.000 0.559 87 L N -0.631 120.570 121.223 -0.036 0.000 2.179 87 L HA 0.080 4.421 4.340 0.001 0.000 0.208 87 L C 3.122 179.981 176.870 -0.019 0.000 1.096 87 L CA 0.447 55.302 54.840 0.025 0.000 0.779 87 L CB -0.191 41.870 42.059 0.003 0.000 0.922 87 L HN 0.155 nan 8.230 nan 0.000 0.443 88 R N -0.359 120.113 120.500 -0.046 0.000 2.115 88 R HA -0.103 4.237 4.340 0.001 0.000 0.230 88 R C 2.335 178.608 176.300 -0.044 0.000 1.111 88 R CA 0.885 56.956 56.100 -0.048 0.000 0.976 88 R CB -0.160 30.109 30.300 -0.052 0.000 0.870 88 R HN 0.308 nan 8.270 nan 0.000 0.445 89 R N 0.377 120.857 120.500 -0.033 0.000 2.066 89 R HA -0.038 4.302 4.340 0.001 0.000 0.232 89 R C 2.344 178.614 176.300 -0.050 0.000 1.131 89 R CA 1.366 57.445 56.100 -0.034 0.000 0.955 89 R CB -0.268 30.022 30.300 -0.017 0.000 0.851 89 R HN 0.178 nan 8.270 nan 0.000 0.432 90 A N 0.898 123.695 122.820 -0.037 0.000 1.902 90 A HA -0.209 4.112 4.320 0.001 0.000 0.217 90 A C 2.098 179.609 177.584 -0.122 0.000 1.181 90 A CA 1.435 53.426 52.037 -0.076 0.000 0.623 90 A CB -0.482 18.499 19.000 -0.031 0.000 0.818 90 A HN 0.229 nan 8.150 nan 0.000 0.443 91 R N -0.512 119.935 120.500 -0.088 0.000 2.080 91 R HA -0.166 4.174 4.340 0.001 0.000 0.236 91 R C 2.400 178.642 176.300 -0.096 0.000 1.137 91 R CA 1.629 57.672 56.100 -0.096 0.000 0.943 91 R CB -0.516 29.740 30.300 -0.073 0.000 0.846 91 R HN 0.465 nan 8.270 nan 0.000 0.431 92 A N 0.581 123.355 122.820 -0.077 0.000 1.940 92 A HA -0.249 4.072 4.320 0.001 0.000 0.221 92 A C 2.259 179.794 177.584 -0.081 0.000 1.190 92 A CA 2.149 54.145 52.037 -0.068 0.000 0.647 92 A CB -0.938 18.029 19.000 -0.055 0.000 0.821 92 A HN 0.567 nan 8.150 nan 0.000 0.457 93 A N -2.633 120.119 122.820 -0.112 0.000 2.209 93 A HA 0.385 4.705 4.320 0.001 0.000 0.212 93 A C 1.887 179.354 177.584 -0.195 0.000 1.158 93 A CA 1.407 53.359 52.037 -0.142 0.000 0.742 93 A CB -0.722 18.179 19.000 -0.165 0.000 0.790 93 A HN 1.963 nan 8.150 nan 0.000 0.472 94 G N -2.314 106.368 108.800 -0.198 0.000 2.255 94 G HA2 -0.161 3.800 3.960 0.001 0.000 0.196 94 G HA3 -0.161 3.800 3.960 0.001 0.000 0.196 94 G C 0.164 174.876 174.900 -0.313 0.000 0.998 94 G CA -0.104 44.877 45.100 -0.198 0.000 0.656 94 G HN 0.668 nan 8.290 nan 0.000 0.490 95 V N 1.302 120.934 119.914 -0.469 0.000 2.585 95 V HA 0.363 4.483 4.120 0.001 0.000 0.296 95 V C 1.557 177.591 176.094 -0.100 0.000 1.035 95 V CA 1.014 63.082 62.300 -0.388 0.000 1.084 95 V CB 1.265 32.895 31.823 -0.321 0.000 0.953 95 V HN 0.428 nan 8.190 nan 0.000 0.483 96 R N 1.659 122.181 120.500 0.037 0.000 2.257 96 R HA 0.205 4.545 4.340 0.001 0.000 0.195 96 R C 0.155 176.486 176.300 0.052 0.000 0.921 96 R CA 0.343 56.455 56.100 0.019 0.000 1.069 96 R CB 0.770 31.116 30.300 0.077 0.000 1.115 96 R HN 0.753 nan 8.270 nan 0.000 0.571 97 T N 1.060 115.703 114.554 0.148 0.000 2.900 97 T HA 0.549 4.900 4.350 0.001 0.000 0.295 97 T C -0.851 173.938 174.700 0.148 0.000 1.044 97 T CA -0.634 61.572 62.100 0.176 0.000 0.995 97 T CB 2.275 71.271 68.868 0.213 0.000 1.072 97 T HN 0.177 nan 8.240 nan 0.000 0.473 98 I N -1.008 119.636 120.570 0.123 0.000 2.686 98 I HA 0.836 5.006 4.170 0.001 0.000 0.295 98 I C -1.348 174.808 176.117 0.066 0.000 1.114 98 I CA -1.186 60.174 61.300 0.100 0.000 1.038 98 I CB 2.004 40.063 38.000 0.097 0.000 1.238 98 I HN 0.325 nan 8.210 nan 0.000 0.420 99 V N 4.228 124.165 119.914 0.038 0.000 2.347 99 V HA 0.335 4.456 4.120 0.001 0.000 0.280 99 V C -0.515 175.525 176.094 -0.091 0.000 1.021 99 V CA -0.196 62.095 62.300 -0.016 0.000 0.847 99 V CB 1.068 32.885 31.823 -0.010 0.000 0.990 99 V HN 0.785 nan 8.190 nan 0.000 0.444 100 D N 4.307 124.647 120.400 -0.101 0.000 2.380 100 D HA 0.159 4.799 4.640 0.001 0.000 0.230 100 D C 0.785 176.939 176.300 -0.245 0.000 1.154 100 D CA -0.397 53.500 54.000 -0.172 0.000 0.859 100 D CB 1.886 42.644 40.800 -0.071 0.000 1.045 100 D HN 0.433 nan 8.370 nan 0.000 0.495 101 V N 1.646 121.278 119.914 -0.470 0.000 3.602 101 V HA 0.195 4.316 4.120 0.001 0.000 0.289 101 V C 0.447 176.395 176.094 -0.244 0.000 1.265 101 V CA -0.453 61.592 62.300 -0.425 0.000 1.202 101 V CB -0.960 30.461 31.823 -0.670 0.000 1.012 101 V HN 0.315 nan 8.190 nan 0.000 0.431 102 S N 2.781 118.406 115.700 -0.125 0.000 2.455 102 S HA 0.368 4.839 4.470 0.001 0.000 0.278 102 S C 0.879 175.463 174.600 -0.027 0.000 1.216 102 S CA 0.186 58.381 58.200 -0.009 0.000 1.055 102 S CB 0.410 63.635 63.200 0.040 0.000 0.939 102 S HN 0.869 nan 8.310 nan 0.000 0.494 103 T N 0.951 115.498 114.554 -0.012 0.000 2.824 103 T HA 0.344 4.695 4.350 0.001 0.000 0.277 103 T C 1.026 175.829 174.700 0.172 0.000 0.975 103 T CA -0.797 61.365 62.100 0.105 0.000 0.966 103 T CB 0.147 69.128 68.868 0.190 0.000 1.054 103 T HN 0.381 nan 8.240 nan 0.000 0.533 104 F N 2.223 122.273 119.950 0.167 0.000 2.063 104 F HA -0.258 4.270 4.527 0.001 0.000 0.298 104 F C 2.061 177.945 175.800 0.140 0.000 1.105 104 F CA 2.523 60.640 58.000 0.195 0.000 1.215 104 F CB -0.602 38.597 39.000 0.332 0.000 0.972 104 F HN 0.739 nan 8.300 nan 0.000 0.483 105 D N 0.054 120.528 120.400 0.123 0.000 2.378 105 D HA -0.153 4.488 4.640 0.001 0.000 0.227 105 D C 1.796 178.057 176.300 -0.064 0.000 1.012 105 D CA 0.939 54.938 54.000 -0.000 0.000 0.905 105 D CB -0.890 40.080 40.800 0.283 0.000 0.895 105 D HN 0.512 nan 8.370 nan 0.000 0.532 106 I N -0.217 120.259 120.570 -0.156 0.000 3.883 106 I HA 0.174 4.344 4.170 0.001 0.000 0.326 106 I C 1.412 177.385 176.117 -0.241 0.000 1.283 106 I CA 0.294 61.377 61.300 -0.362 0.000 1.161 106 I CB 0.107 37.783 38.000 -0.541 0.000 1.012 106 I HN 0.163 nan 8.210 nan 0.000 0.421 107 G N 2.258 110.947 108.800 -0.185 0.000 2.136 107 G HA2 -0.314 3.647 3.960 0.001 0.000 0.242 107 G HA3 -0.314 3.647 3.960 0.001 0.000 0.242 107 G C 0.556 175.417 174.900 -0.065 0.000 0.989 107 G CA -0.085 44.943 45.100 -0.120 0.000 0.682 107 G HN 0.457 nan 8.290 nan 0.000 0.522 108 R N 0.652 121.122 120.500 -0.049 0.000 2.523 108 R HA 0.147 4.488 4.340 0.001 0.000 0.281 108 R C -0.977 175.336 176.300 0.022 0.000 0.969 108 R CA 0.946 57.044 56.100 -0.004 0.000 1.093 108 R CB 0.195 30.515 30.300 0.034 0.000 0.917 108 R HN 0.154 nan 8.270 nan 0.000 0.408 109 D N 4.885 125.294 120.400 0.015 0.000 2.408 109 D HA 0.061 4.701 4.640 0.001 0.000 0.261 109 D C 0.874 177.189 176.300 0.025 0.000 1.190 109 D CA -0.454 53.562 54.000 0.027 0.000 0.910 109 D CB 1.435 42.243 40.800 0.013 0.000 1.097 109 D HN 0.326 nan 8.370 nan 0.000 0.522 110 V N 3.100 123.036 119.914 0.037 0.000 2.370 110 V HA -0.282 3.839 4.120 0.001 0.000 0.252 110 V C 2.416 178.522 176.094 0.021 0.000 1.068 110 V CA 2.709 65.026 62.300 0.028 0.000 1.061 110 V CB -0.370 31.473 31.823 0.033 0.000 0.656 110 V HN 0.696 nan 8.190 nan 0.000 0.455 111 S N -0.422 115.292 115.700 0.023 0.000 2.383 111 S HA -0.187 4.284 4.470 0.001 0.000 0.227 111 S C 1.941 176.547 174.600 0.011 0.000 1.026 111 S CA 1.663 59.873 58.200 0.017 0.000 0.981 111 S CB -0.525 62.688 63.200 0.021 0.000 0.818 111 S HN 0.461 nan 8.310 nan 0.000 0.472 112 L N 1.628 122.856 121.223 0.008 0.000 2.046 112 L HA 0.092 4.432 4.340 0.001 0.000 0.208 112 L C 2.352 179.224 176.870 0.004 0.000 1.077 112 L CA 1.528 56.367 54.840 -0.002 0.000 0.747 112 L CB -0.663 41.386 42.059 -0.016 0.000 0.896 112 L HN 0.355 nan 8.230 nan 0.000 0.432 113 L N -0.424 120.806 121.223 0.011 0.000 1.990 113 L HA -0.256 4.085 4.340 0.001 0.000 0.213 113 L C 2.747 179.627 176.870 0.017 0.000 1.072 113 L CA 1.537 56.389 54.840 0.019 0.000 0.755 113 L CB -1.324 40.747 42.059 0.020 0.000 0.889 113 L HN 0.431 nan 8.230 nan 0.000 0.432 114 A N 0.118 122.946 122.820 0.013 0.000 1.883 114 A HA -0.279 4.042 4.320 0.001 0.000 0.217 114 A C 2.288 179.877 177.584 0.008 0.000 1.186 114 A CA 1.983 54.028 52.037 0.012 0.000 0.624 114 A CB -0.651 18.354 19.000 0.009 0.000 0.822 114 A HN 0.561 nan 8.150 nan 0.000 0.444 115 E N 0.260 120.462 120.200 0.003 0.000 2.058 115 E HA -0.181 4.170 4.350 0.001 0.000 0.194 115 E C 1.899 178.493 176.600 -0.009 0.000 0.997 115 E CA 2.281 58.679 56.400 -0.003 0.000 0.801 115 E CB -0.313 29.384 29.700 -0.005 0.000 0.746 115 E HN 0.599 nan 8.360 nan 0.000 0.450 116 V N -0.833 119.074 119.914 -0.011 0.000 2.871 116 V HA -0.080 4.040 4.120 0.001 0.000 0.256 116 V C 2.283 178.370 176.094 -0.013 0.000 1.082 116 V CA 1.805 64.091 62.300 -0.023 0.000 1.105 116 V CB -0.211 31.590 31.823 -0.037 0.000 0.713 116 V HN 0.294 nan 8.190 nan 0.000 0.473 117 S N 0.706 116.409 115.700 0.005 0.000 2.382 117 S HA -0.190 4.281 4.470 0.001 0.000 0.228 117 S C 2.206 176.806 174.600 0.000 0.000 1.027 117 S CA 1.786 59.994 58.200 0.013 0.000 0.991 117 S CB -0.416 62.806 63.200 0.037 0.000 0.823 117 S HN 0.718 nan 8.310 nan 0.000 0.469 118 R N 0.540 121.041 120.500 0.001 0.000 2.081 118 R HA 0.021 4.361 4.340 0.001 0.000 0.235 118 R C 2.642 178.932 176.300 -0.015 0.000 1.131 118 R CA 1.394 57.493 56.100 -0.003 0.000 0.960 118 R CB -0.540 29.760 30.300 0.001 0.000 0.856 118 R HN 0.509 nan 8.270 nan 0.000 0.436 119 A N 0.714 123.521 122.820 -0.022 0.000 1.929 119 A HA 0.037 4.357 4.320 0.001 0.000 0.216 119 A C 2.182 179.743 177.584 -0.038 0.000 1.176 119 A CA 1.417 53.436 52.037 -0.030 0.000 0.628 119 A CB -0.281 18.698 19.000 -0.034 0.000 0.816 119 A HN 0.375 nan 8.150 nan 0.000 0.444 120 A N -1.464 121.331 122.820 -0.043 0.000 2.081 120 A HA 0.281 4.601 4.320 0.001 0.000 0.214 120 A C 0.865 178.415 177.584 -0.057 0.000 1.158 120 A CA 1.195 53.201 52.037 -0.051 0.000 0.724 120 A CB -0.152 18.817 19.000 -0.051 0.000 0.826 120 A HN 0.602 nan 8.150 nan 0.000 0.463 121 D N -1.431 118.935 120.400 -0.057 0.000 2.716 121 D HA -0.119 4.521 4.640 0.001 0.000 0.239 121 D C -0.797 175.416 176.300 -0.144 0.000 1.125 121 D CA 0.813 54.763 54.000 -0.084 0.000 0.681 121 D CB -1.655 39.101 40.800 -0.073 0.000 1.070 121 D HN 0.206 nan 8.370 nan 0.000 0.432 122 V N 2.175 122.017 119.914 -0.120 0.000 2.604 122 V HA 0.398 4.519 4.120 0.001 0.000 0.305 122 V C 0.358 176.401 176.094 -0.085 0.000 1.043 122 V CA -0.911 61.305 62.300 -0.141 0.000 0.888 122 V CB 1.941 33.733 31.823 -0.052 0.000 0.995 122 V HN 0.234 nan 8.190 nan 0.000 0.429 123 H N 4.498 123.581 119.070 0.022 0.000 2.683 123 H HA 0.525 5.082 4.556 0.001 0.000 0.339 123 H C -0.398 174.944 175.328 0.023 0.000 1.081 123 H CA -0.053 56.006 56.048 0.019 0.000 1.432 123 H CB 1.148 30.922 29.762 0.020 0.000 1.462 123 H HN 0.428 nan 8.280 nan 0.000 0.557 124 I N 2.852 123.512 120.570 0.151 0.000 2.498 124 I HA 0.149 4.319 4.170 0.001 0.000 0.290 124 I C -0.300 175.845 176.117 0.047 0.000 1.032 124 I CA -0.855 60.495 61.300 0.084 0.000 1.073 124 I CB 2.169 40.206 38.000 0.061 0.000 1.251 124 I HN 0.131 nan 8.210 nan 0.000 0.426 125 V N 5.591 125.519 119.914 0.024 0.000 2.394 125 V HA 0.606 4.727 4.120 0.001 0.000 0.282 125 V C 0.504 176.578 176.094 -0.033 0.000 1.031 125 V CA -0.410 61.883 62.300 -0.013 0.000 0.881 125 V CB 1.436 33.245 31.823 -0.022 0.000 0.982 125 V HN 0.846 nan 8.190 nan 0.000 0.451 126 A N 4.274 127.070 122.820 -0.040 0.000 2.264 126 A HA 0.961 5.281 4.320 0.001 0.000 0.304 126 A C 0.113 177.656 177.584 -0.068 0.000 1.100 126 A CA -0.039 51.970 52.037 -0.046 0.000 0.839 126 A CB 1.167 20.150 19.000 -0.029 0.000 1.121 126 A HN 1.274 nan 8.150 nan 0.000 0.496 127 A N -0.401 122.377 122.820 -0.069 0.000 2.423 127 A HA 0.817 5.138 4.320 0.001 0.000 0.304 127 A C -0.033 177.504 177.584 -0.078 0.000 1.104 127 A CA -0.024 51.959 52.037 -0.090 0.000 0.757 127 A CB 1.424 20.364 19.000 -0.101 0.000 1.313 127 A HN 1.164 nan 8.150 nan 0.000 0.423 128 T N -1.149 113.324 114.554 -0.136 0.000 2.841 128 T HA 0.806 5.157 4.350 0.001 0.000 0.276 128 T C 0.314 174.832 174.700 -0.303 0.000 1.003 128 T CA 0.873 62.859 62.100 -0.190 0.000 0.995 128 T CB 1.170 69.887 68.868 -0.253 0.000 1.260 128 T HN 2.689 nan 8.240 nan 0.000 0.581 129 G N -0.162 108.303 108.800 -0.558 0.000 2.483 129 G HA2 0.122 4.083 3.960 0.001 0.000 0.521 129 G HA3 0.122 4.083 3.960 0.001 0.000 0.521 129 G C -1.902 173.028 174.900 0.050 0.000 1.278 129 G CA -0.426 44.277 45.100 -0.661 0.000 0.965 129 G HN 0.853 nan 8.290 nan 0.000 0.504 130 L N -1.162 120.191 121.223 0.217 0.000 2.434 130 L HA 0.682 5.022 4.340 0.001 0.000 0.260 130 L C 0.064 177.173 176.870 0.399 0.000 0.983 130 L CA -0.783 54.307 54.840 0.416 0.000 0.820 130 L CB 2.316 44.690 42.059 0.525 0.000 1.361 130 L HN 0.844 nan 8.230 nan 0.000 0.410 131 W N 2.034 123.429 121.300 0.159 0.000 2.093 131 W HA 0.343 5.004 4.660 0.001 0.000 0.626 131 W C 0.558 177.147 176.519 0.117 0.000 1.436 131 W CA -0.119 57.262 57.345 0.060 0.000 1.314 131 W CB 0.320 29.718 29.460 -0.104 0.000 3.308 131 W HN 0.303 nan 8.180 nan 0.000 0.758 132 F N 0.846 120.440 119.950 -0.594 0.000 2.750 132 F HA 0.346 4.874 4.527 0.001 0.000 0.297 132 F C 0.019 175.656 175.800 -0.272 0.000 1.138 132 F CA -0.564 57.158 58.000 -0.463 0.000 1.346 132 F CB -0.405 38.212 39.000 -0.638 0.000 0.965 132 F HN 0.019 nan 8.300 nan 0.000 0.514 133 D N 2.018 122.403 120.400 -0.026 0.000 2.945 133 D HA 0.256 4.896 4.640 0.001 0.000 0.366 133 D C -2.756 173.643 176.300 0.165 0.000 1.352 133 D CA -1.906 52.151 54.000 0.094 0.000 0.810 133 D CB 0.637 41.524 40.800 0.145 0.000 1.170 133 D HN 0.043 nan 8.370 nan 0.000 0.461 134 P HA 0.277 nan 4.420 nan 0.000 0.275 134 P C -2.649 174.699 177.300 0.080 0.000 1.227 134 P CA -1.165 62.049 63.100 0.191 0.000 0.781 134 P CB 0.741 32.556 31.700 0.193 0.000 0.906 135 P HA 0.232 nan 4.420 nan 0.000 0.278 135 P C 1.434 178.717 177.300 -0.028 0.000 1.258 135 P CA -0.566 62.568 63.100 0.055 0.000 0.811 135 P CB 1.031 32.801 31.700 0.116 0.000 1.063 136 L N 0.370 121.570 121.223 -0.039 0.000 2.034 136 L HA -0.287 4.053 4.340 0.001 0.000 0.217 136 L C 2.398 179.217 176.870 -0.086 0.000 1.077 136 L CA 2.150 56.946 54.840 -0.074 0.000 0.769 136 L CB -1.062 40.971 42.059 -0.042 0.000 0.890 136 L HN 0.401 nan 8.230 nan 0.000 0.435 137 S N -1.156 114.515 115.700 -0.049 0.000 2.440 137 S HA -0.156 4.314 4.470 0.001 0.000 0.238 137 S C 1.823 176.361 174.600 -0.104 0.000 1.010 137 S CA 1.192 59.352 58.200 -0.066 0.000 0.972 137 S CB -0.056 63.112 63.200 -0.053 0.000 0.774 137 S HN 0.300 nan 8.310 nan 0.000 0.501 138 M N 0.702 120.239 119.600 -0.106 0.000 2.398 138 M HA 0.172 4.653 4.480 0.001 0.000 0.261 138 M C 1.965 178.131 176.300 -0.224 0.000 1.125 138 M CA 0.884 56.124 55.300 -0.099 0.000 1.183 138 M CB -1.041 31.564 32.600 0.009 0.000 1.322 138 M HN 0.194 nan 8.290 nan 0.000 0.467 139 R N 0.557 120.739 120.500 -0.529 0.000 2.185 139 R HA -0.111 4.230 4.340 0.001 0.000 0.247 139 R C 1.759 177.752 176.300 -0.512 0.000 1.159 139 R CA 1.075 56.525 56.100 -1.082 0.000 0.988 139 R CB -0.669 29.210 30.300 -0.701 0.000 0.871 139 R HN 0.364 nan 8.270 nan 0.000 0.458 140 L N 0.698 121.792 121.223 -0.215 0.000 2.591 140 L HA 0.069 4.410 4.340 0.001 0.000 0.228 140 L C 0.684 177.559 176.870 0.008 0.000 1.133 140 L CA -0.019 54.776 54.840 -0.075 0.000 0.880 140 L CB -0.049 41.971 42.059 -0.065 0.000 1.033 140 L HN 0.020 nan 8.230 nan 0.000 0.450 141 R N 0.360 120.900 120.500 0.066 0.000 2.543 141 R HA 0.335 4.675 4.340 0.001 0.000 0.268 141 R C 0.427 176.804 176.300 0.128 0.000 1.067 141 R CA -0.132 56.016 56.100 0.080 0.000 1.142 141 R CB 1.099 31.433 30.300 0.057 0.000 1.110 141 R HN 0.046 nan 8.270 nan 0.000 0.549 142 S N -1.041 114.694 115.700 0.058 0.000 2.693 142 S HA 0.086 4.557 4.470 0.001 0.000 0.276 142 S C 1.195 175.799 174.600 0.005 0.000 1.192 142 S CA -0.755 57.468 58.200 0.040 0.000 0.994 142 S CB 1.445 64.655 63.200 0.016 0.000 1.012 142 S HN 0.396 nan 8.310 nan 0.000 0.550 143 V N 1.241 121.150 119.914 -0.008 0.000 2.469 143 V HA -0.164 3.957 4.120 0.001 0.000 0.251 143 V C 2.130 178.198 176.094 -0.045 0.000 1.064 143 V CA 2.561 64.839 62.300 -0.036 0.000 1.066 143 V CB -1.146 30.663 31.823 -0.022 0.000 0.667 143 V HN 0.951 nan 8.190 nan 0.000 0.461 144 E N -0.028 120.155 120.200 -0.028 0.000 2.152 144 E HA -0.139 4.212 4.350 0.001 0.000 0.192 144 E C 2.132 178.705 176.600 -0.045 0.000 0.983 144 E CA 1.382 57.764 56.400 -0.029 0.000 0.818 144 E CB -0.155 29.537 29.700 -0.015 0.000 0.758 144 E HN 0.744 nan 8.360 nan 0.000 0.467 145 E N 0.422 120.595 120.200 -0.045 0.000 2.046 145 E HA -0.090 4.260 4.350 0.001 0.000 0.190 145 E C 2.050 178.591 176.600 -0.098 0.000 0.982 145 E CA 0.689 57.059 56.400 -0.051 0.000 0.800 145 E CB -0.133 29.546 29.700 -0.036 0.000 0.756 145 E HN 0.187 nan 8.360 nan 0.000 0.449 146 L N 1.015 122.149 121.223 -0.149 0.000 2.081 146 L HA -0.216 4.125 4.340 0.001 0.000 0.212 146 L C 2.533 179.078 176.870 -0.542 0.000 1.080 146 L CA 1.301 55.929 54.840 -0.354 0.000 0.754 146 L CB -0.944 40.904 42.059 -0.350 0.000 0.893 146 L HN 0.205 nan 8.230 nan 0.000 0.433 147 T N -1.220 113.172 114.554 -0.271 0.000 2.759 147 T HA -0.205 4.146 4.350 0.001 0.000 0.269 147 T C 1.962 176.603 174.700 -0.098 0.000 1.042 147 T CA 1.109 63.115 62.100 -0.157 0.000 1.140 147 T CB -0.135 68.707 68.868 -0.043 0.000 0.864 147 T HN 0.301 nan 8.240 nan 0.000 0.455 148 Q N 0.040 119.795 119.800 -0.074 0.000 2.079 148 Q HA 0.009 4.349 4.340 0.001 0.000 0.200 148 Q C 2.093 178.108 176.000 0.026 0.000 0.974 148 Q CA 1.105 56.898 55.803 -0.016 0.000 0.840 148 Q CB -0.657 28.075 28.738 -0.009 0.000 0.898 148 Q HN 0.566 nan 8.270 nan 0.000 0.430 149 F N 0.920 120.776 119.950 -0.157 0.000 2.102 149 F HA -0.223 4.304 4.527 0.001 0.000 0.298 149 F C 1.830 177.698 175.800 0.113 0.000 1.105 149 F CA 1.113 59.065 58.000 -0.080 0.000 1.239 149 F CB -0.363 38.546 39.000 -0.153 0.000 0.991 149 F HN -0.058 nan 8.300 nan 0.000 0.474 150 F N 0.516 120.395 119.950 -0.120 0.000 2.171 150 F HA -0.145 4.383 4.527 0.001 0.000 0.300 150 F C 2.351 178.048 175.800 -0.172 0.000 1.090 150 F CA 0.925 58.794 58.000 -0.219 0.000 1.293 150 F CB -1.637 37.330 39.000 -0.055 0.000 1.013 150 F HN 0.023 nan 8.300 nan 0.000 0.486 151 L N -0.439 120.845 121.223 0.101 0.000 2.141 151 L HA -0.171 4.169 4.340 0.001 0.000 0.209 151 L C 2.722 179.604 176.870 0.020 0.000 1.094 151 L CA 1.078 55.948 54.840 0.049 0.000 0.763 151 L CB -0.562 41.520 42.059 0.038 0.000 0.908 151 L HN 0.055 nan 8.230 nan 0.000 0.437 152 R N 0.677 121.175 120.500 -0.004 0.000 2.083 152 R HA -0.215 4.125 4.340 0.001 0.000 0.237 152 R C 2.011 178.336 176.300 0.042 0.000 1.137 152 R CA 1.923 58.038 56.100 0.025 0.000 0.951 152 R CB -0.215 30.090 30.300 0.010 0.000 0.851 152 R HN 0.425 nan 8.270 nan 0.000 0.434 153 E N -0.089 120.052 120.200 -0.098 0.000 2.153 153 E HA -0.167 4.184 4.350 0.001 0.000 0.194 153 E C 2.028 178.595 176.600 -0.054 0.000 0.988 153 E CA 1.330 57.668 56.400 -0.104 0.000 0.811 153 E CB -0.019 29.530 29.700 -0.252 0.000 0.746 153 E HN 0.475 nan 8.360 nan 0.000 0.466 154 I N 0.381 120.926 120.570 -0.043 0.000 2.585 154 I HA -0.181 3.990 4.170 0.001 0.000 0.254 154 I C 2.250 178.359 176.117 -0.013 0.000 1.129 154 I CA 0.802 62.080 61.300 -0.037 0.000 1.455 154 I CB 0.108 38.086 38.000 -0.037 0.000 1.111 154 I HN -0.007 nan 8.210 nan 0.000 0.433 155 Q N -0.934 118.880 119.800 0.023 0.000 2.304 155 Q HA -0.060 4.281 4.340 0.001 0.000 0.204 155 Q C 1.849 177.892 176.000 0.072 0.000 0.936 155 Q CA 0.935 56.763 55.803 0.040 0.000 0.878 155 Q CB 0.039 28.809 28.738 0.052 0.000 0.983 155 Q HN 0.452 nan 8.270 nan 0.000 0.516 156 Y N 0.170 120.457 120.300 -0.022 0.000 2.262 156 Y HA 0.262 4.812 4.550 0.001 0.000 0.295 156 Y C 0.690 176.583 175.900 -0.012 0.000 1.121 156 Y CA 1.494 59.587 58.100 -0.012 0.000 1.144 156 Y CB 0.599 39.057 38.460 -0.004 0.000 1.043 156 Y HN 0.092 nan 8.280 nan 0.000 0.528 157 G N 0.138 108.943 108.800 0.008 0.000 2.340 157 G HA2 0.017 3.977 3.960 0.001 0.000 0.527 157 G HA3 0.017 3.977 3.960 0.001 0.000 0.527 157 G C -1.609 173.304 174.900 0.022 0.000 1.381 157 G CA -0.550 44.499 45.100 -0.084 0.000 1.001 157 G HN 0.204 nan 8.290 nan 0.000 0.626 158 I N 1.963 122.535 120.570 0.003 0.000 2.396 158 I HA 0.289 4.460 4.170 0.001 0.000 0.289 158 I C 1.192 177.361 176.117 0.088 0.000 1.056 158 I CA 0.272 61.608 61.300 0.059 0.000 1.365 158 I CB 0.712 38.739 38.000 0.046 0.000 1.407 158 I HN 0.968 nan 8.210 nan 0.000 0.509 159 E N 3.650 123.943 120.200 0.155 0.000 3.289 159 E HA -0.322 4.029 4.350 0.001 0.000 0.386 159 E C 0.116 176.815 176.600 0.164 0.000 1.526 159 E CA 1.920 58.421 56.400 0.169 0.000 1.519 159 E CB -0.514 29.268 29.700 0.136 0.000 1.657 159 E HN 0.947 nan 8.360 nan 0.000 0.479 160 D N -0.005 120.460 120.400 0.108 0.000 2.440 160 D HA 0.041 4.681 4.640 0.001 0.000 0.216 160 D C 1.092 177.391 176.300 -0.002 0.000 1.150 160 D CA 1.000 55.046 54.000 0.077 0.000 0.832 160 D CB -0.040 40.812 40.800 0.087 0.000 0.992 160 D HN 0.397 nan 8.370 nan 0.000 0.502 161 T N -3.919 110.626 114.554 -0.016 0.000 3.043 161 T HA 0.286 4.637 4.350 0.001 0.000 0.263 161 T C 1.886 176.535 174.700 -0.084 0.000 1.094 161 T CA 0.831 62.910 62.100 -0.035 0.000 1.127 161 T CB -0.084 68.776 68.868 -0.014 0.000 0.905 161 T HN 0.323 nan 8.240 nan 0.000 0.490 162 G N 1.594 110.300 108.800 -0.156 0.000 2.205 162 G HA2 -0.223 3.737 3.960 0.001 0.000 0.261 162 G HA3 -0.223 3.737 3.960 0.001 0.000 0.261 162 G C 0.130 174.954 174.900 -0.128 0.000 0.980 162 G CA 0.064 45.047 45.100 -0.195 0.000 0.632 162 G HN 0.662 nan 8.290 nan 0.000 0.533 163 I N 1.857 122.377 120.570 -0.083 0.000 2.505 163 I HA 0.217 4.388 4.170 0.001 0.000 0.287 163 I C 1.090 177.172 176.117 -0.059 0.000 1.104 163 I CA -0.064 61.203 61.300 -0.056 0.000 1.387 163 I CB 0.401 38.383 38.000 -0.030 0.000 1.404 163 I HN 0.106 nan 8.210 nan 0.000 0.528 164 R N 4.702 125.165 120.500 -0.061 0.000 2.457 164 R HA 0.638 4.978 4.340 0.001 0.000 0.284 164 R C -0.114 176.152 176.300 -0.057 0.000 1.024 164 R CA -0.608 55.456 56.100 -0.059 0.000 1.025 164 R CB 1.333 31.597 30.300 -0.060 0.000 1.063 164 R HN 0.727 nan 8.270 nan 0.000 0.493 165 A N 0.852 123.634 122.820 -0.063 0.000 2.340 165 A HA 0.434 4.754 4.320 0.001 0.000 0.268 165 A C 0.936 178.468 177.584 -0.087 0.000 1.100 165 A CA -0.177 51.815 52.037 -0.075 0.000 0.803 165 A CB 0.715 19.660 19.000 -0.091 0.000 1.043 165 A HN 0.910 nan 8.150 nan 0.000 0.488 166 G N 0.279 109.022 108.800 -0.096 0.000 3.324 166 G HA2 0.460 4.420 3.960 0.001 0.000 0.251 166 G HA3 0.460 4.420 3.960 0.001 0.000 0.251 166 G C 0.041 174.850 174.900 -0.152 0.000 1.072 166 G CA 0.389 45.421 45.100 -0.114 0.000 0.787 166 G HN 0.765 nan 8.290 nan 0.000 0.537 167 I N -0.780 119.701 120.570 -0.149 0.000 3.021 167 I HA 0.507 4.678 4.170 0.001 0.000 0.305 167 I C -1.551 174.469 176.117 -0.162 0.000 1.434 167 I CA -1.137 60.057 61.300 -0.176 0.000 0.969 167 I CB 2.216 40.118 38.000 -0.163 0.000 1.328 167 I HN -0.126 nan 8.210 nan 0.000 0.486 171 A N 0.759 123.738 122.820 0.265 0.000 2.606 171 A HA 1.073 5.393 4.320 0.001 0.000 0.293 171 A C -0.375 177.315 177.584 0.175 0.000 1.082 171 A CA -0.095 52.108 52.037 0.276 0.000 0.685 171 A CB 1.837 20.996 19.000 0.265 0.000 1.284 171 A HN 2.726 nan 8.150 nan 0.000 0.408 172 T N -1.867 112.791 114.554 0.174 0.000 2.894 172 T HA 0.686 5.036 4.350 0.001 0.000 0.309 172 T C -0.380 174.349 174.700 0.048 0.000 1.208 172 T CA 0.151 62.292 62.100 0.068 0.000 1.016 172 T CB 1.543 70.429 68.868 0.029 0.000 1.192 172 T HN 1.615 nan 8.240 nan 0.000 0.491 173 T N -0.831 113.678 114.554 -0.076 0.000 3.516 173 T HA 0.691 5.041 4.350 0.001 0.000 0.245 173 T C 0.937 175.576 174.700 -0.101 0.000 1.077 173 T CA 0.088 62.104 62.100 -0.139 0.000 1.222 173 T CB -0.341 68.289 68.868 -0.396 0.000 1.045 173 T HN 1.980 nan 8.240 nan 0.000 0.585 174 G N 1.605 110.370 108.800 -0.059 0.000 2.384 174 G HA2 -0.077 3.883 3.960 0.001 0.000 0.200 174 G HA3 -0.077 3.883 3.960 0.001 0.000 0.200 174 G C -0.873 173.995 174.900 -0.053 0.000 1.205 174 G CA -0.772 44.290 45.100 -0.062 0.000 1.116 174 G HN 0.612 nan 8.290 nan 0.000 0.547 175 K N 1.256 121.625 120.400 -0.051 0.000 2.472 175 K HA 0.490 4.810 4.320 0.001 0.000 0.280 175 K C 0.899 177.477 176.600 -0.038 0.000 1.028 175 K CA 0.373 56.634 56.287 -0.044 0.000 1.045 175 K CB 0.187 32.664 32.500 -0.038 0.000 0.902 175 K HN 1.319 nan 8.250 nan 0.000 0.478 176 A N 3.865 126.663 122.820 -0.038 0.000 2.540 176 A HA 0.058 4.378 4.320 0.001 0.000 0.239 176 A C 0.522 178.099 177.584 -0.013 0.000 1.061 176 A CA 0.171 52.190 52.037 -0.029 0.000 0.758 176 A CB -0.040 18.932 19.000 -0.047 0.000 0.991 176 A HN 0.881 nan 8.150 nan 0.000 0.502 177 T N 0.417 114.977 114.554 0.009 0.000 2.816 177 T HA 0.434 4.784 4.350 0.001 0.000 0.282 177 T C -1.874 172.852 174.700 0.043 0.000 0.993 177 T CA -1.211 60.910 62.100 0.035 0.000 0.994 177 T CB 0.594 69.505 68.868 0.072 0.000 1.025 177 T HN 0.344 nan 8.240 nan 0.000 0.529 178 P HA 0.032 nan 4.420 nan 0.000 0.219 178 P C 1.223 178.570 177.300 0.079 0.000 1.150 178 P CA 0.524 63.658 63.100 0.057 0.000 0.814 178 P CB -0.149 31.590 31.700 0.065 0.000 0.787 179 F N 1.056 121.017 119.950 0.018 0.000 2.084 179 F HA -0.149 4.379 4.527 0.001 0.000 0.296 179 F C 2.271 178.100 175.800 0.049 0.000 1.111 179 F CA 1.637 59.657 58.000 0.033 0.000 1.224 179 F CB -0.904 38.118 39.000 0.037 0.000 0.991 179 F HN -0.160 nan 8.300 nan 0.000 0.471 180 Q N 0.123 119.908 119.800 -0.026 0.000 2.152 180 Q HA -0.254 4.086 4.340 0.001 0.000 0.206 180 Q C 2.105 178.028 176.000 -0.128 0.000 0.985 180 Q CA 2.165 57.919 55.803 -0.081 0.000 0.863 180 Q CB -0.345 28.405 28.738 0.020 0.000 0.904 180 Q HN 0.577 nan 8.270 nan 0.000 0.422 181 E N 0.348 120.490 120.200 -0.096 0.000 2.085 181 E HA -0.181 4.170 4.350 0.001 0.000 0.194 181 E C 2.031 178.567 176.600 -0.108 0.000 0.994 181 E CA 0.863 57.209 56.400 -0.091 0.000 0.801 181 E CB -0.083 29.584 29.700 -0.055 0.000 0.743 181 E HN 0.351 nan 8.360 nan 0.000 0.453 182 L N 0.570 121.696 121.223 -0.162 0.000 2.083 182 L HA -0.168 4.173 4.340 0.001 0.000 0.209 182 L C 2.495 179.260 176.870 -0.175 0.000 1.083 182 L CA 0.835 55.574 54.840 -0.169 0.000 0.752 182 L CB -0.493 41.425 42.059 -0.235 0.000 0.899 182 L HN 0.093 nan 8.230 nan 0.000 0.433 183 V N -0.219 119.527 119.914 -0.280 0.000 2.343 183 V HA -0.278 3.843 4.120 0.001 0.000 0.247 183 V C 2.435 178.594 176.094 0.109 0.000 1.051 183 V CA 1.317 63.560 62.300 -0.096 0.000 1.036 183 V CB -0.346 31.398 31.823 -0.131 0.000 0.654 183 V HN 0.254 nan 8.190 nan 0.000 0.451 184 L N -0.309 120.940 121.223 0.042 0.000 2.083 184 L HA -0.134 4.206 4.340 0.001 0.000 0.209 184 L C 2.351 179.341 176.870 0.200 0.000 1.083 184 L CA 1.796 56.706 54.840 0.117 0.000 0.752 184 L CB -0.807 41.164 42.059 -0.147 0.000 0.899 184 L HN 0.280 nan 8.230 nan 0.000 0.433 185 K N -1.087 119.368 120.400 0.091 0.000 2.001 185 K HA -0.099 4.221 4.320 0.001 0.000 0.208 185 K C 2.116 178.799 176.600 0.138 0.000 1.048 185 K CA 1.339 57.689 56.287 0.104 0.000 0.932 185 K CB -0.349 32.173 32.500 0.037 0.000 0.715 185 K HN 0.307 nan 8.250 nan 0.000 0.437 186 A N 1.548 124.439 122.820 0.118 0.000 1.933 186 A HA -0.139 4.181 4.320 0.001 0.000 0.218 186 A C 2.344 180.113 177.584 0.308 0.000 1.175 186 A CA 1.865 53.981 52.037 0.132 0.000 0.628 186 A CB -0.668 18.316 19.000 -0.028 0.000 0.814 186 A HN 0.356 nan 8.150 nan 0.000 0.444 187 A N 0.054 123.115 122.820 0.402 0.000 1.858 187 A HA 0.113 4.434 4.320 0.001 0.000 0.216 187 A C 2.557 180.267 177.584 0.210 0.000 1.190 187 A CA 2.321 54.563 52.037 0.343 0.000 0.617 187 A CB -1.217 17.965 19.000 0.303 0.000 0.827 187 A HN 1.140 nan 8.150 nan 0.000 0.443 188 A N -0.062 122.906 122.820 0.247 0.000 1.917 188 A HA -0.231 4.090 4.320 0.001 0.000 0.219 188 A C 2.235 179.888 177.584 0.114 0.000 1.182 188 A CA 1.857 53.995 52.037 0.168 0.000 0.633 188 A CB -0.507 18.660 19.000 0.278 0.000 0.819 188 A HN 0.600 nan 8.150 nan 0.000 0.448 189 R N -0.504 120.074 120.500 0.129 0.000 2.092 189 R HA 0.026 4.367 4.340 0.001 0.000 0.231 189 R C 2.445 178.794 176.300 0.082 0.000 1.119 189 R CA 1.134 57.287 56.100 0.089 0.000 0.970 189 R CB -0.486 29.858 30.300 0.072 0.000 0.864 189 R HN 0.492 nan 8.270 nan 0.000 0.440 190 A N 0.542 123.437 122.820 0.125 0.000 1.933 190 A HA -0.179 4.142 4.320 0.001 0.000 0.218 190 A C 2.211 179.824 177.584 0.049 0.000 1.175 190 A CA 1.757 53.861 52.037 0.112 0.000 0.628 190 A CB -0.629 18.499 19.000 0.214 0.000 0.814 190 A HN 0.298 nan 8.150 nan 0.000 0.444 191 S N -0.441 115.278 115.700 0.031 0.000 2.368 191 S HA -0.117 4.353 4.470 0.001 0.000 0.225 191 S C 1.932 176.518 174.600 -0.023 0.000 1.030 191 S CA 1.489 59.675 58.200 -0.024 0.000 0.999 191 S CB -0.494 62.669 63.200 -0.061 0.000 0.844 191 S HN 0.499 nan 8.310 nan 0.000 0.459 192 L N 0.863 122.085 121.223 -0.001 0.000 2.046 192 L HA -0.077 4.264 4.340 0.001 0.000 0.208 192 L C 2.900 179.768 176.870 -0.002 0.000 1.077 192 L CA 1.321 56.161 54.840 -0.001 0.000 0.747 192 L CB -0.628 41.440 42.059 0.015 0.000 0.896 192 L HN 0.413 nan 8.230 nan 0.000 0.432 193 A N -0.448 122.376 122.820 0.006 0.000 1.968 193 A HA -0.155 4.166 4.320 0.001 0.000 0.217 193 A C 2.337 179.917 177.584 -0.006 0.000 1.169 193 A CA 1.998 54.038 52.037 0.004 0.000 0.638 193 A CB -0.580 18.428 19.000 0.014 0.000 0.812 193 A HN 0.516 nan 8.150 nan 0.000 0.446 194 T N -6.132 108.413 114.554 -0.014 0.000 3.000 194 T HA 0.424 4.774 4.350 0.001 0.000 0.248 194 T C 1.512 176.185 174.700 -0.046 0.000 1.034 194 T CA 1.153 63.237 62.100 -0.027 0.000 1.060 194 T CB 0.369 69.220 68.868 -0.028 0.000 0.983 194 T HN 1.637 nan 8.240 nan 0.000 0.482 195 G N 0.926 109.693 108.800 -0.054 0.000 2.195 195 G HA2 -0.229 3.731 3.960 0.001 0.000 0.246 195 G HA3 -0.229 3.731 3.960 0.001 0.000 0.246 195 G C 0.119 174.952 174.900 -0.110 0.000 0.984 195 G CA -0.022 45.035 45.100 -0.071 0.000 0.633 195 G HN 0.719 nan 8.290 nan 0.000 0.525 196 V N 3.830 123.672 119.914 -0.120 0.000 2.637 196 V HA 0.384 4.505 4.120 0.001 0.000 0.296 196 V C -0.863 175.097 176.094 -0.223 0.000 1.046 196 V CA -0.645 61.552 62.300 -0.172 0.000 1.066 196 V CB 1.214 32.954 31.823 -0.137 0.000 0.968 196 V HN 0.281 nan 8.190 nan 0.000 0.483 197 P HA 0.251 nan 4.420 nan 0.000 0.274 197 P C -0.958 176.177 177.300 -0.275 0.000 1.256 197 P CA -0.187 62.642 63.100 -0.451 0.000 0.795 197 P CB 0.804 31.757 31.700 -1.245 0.000 1.038 198 V N 0.312 120.154 119.914 -0.121 0.000 2.540 198 V HA 0.512 4.633 4.120 0.001 0.000 0.302 198 V C 0.297 176.475 176.094 0.141 0.000 1.035 198 V CA -0.253 62.014 62.300 -0.055 0.000 0.873 198 V CB 1.677 33.375 31.823 -0.209 0.000 0.992 198 V HN 0.629 nan 8.190 nan 0.000 0.428 199 T N 3.039 117.674 114.554 0.136 0.000 2.876 199 T HA 0.745 5.095 4.350 0.001 0.000 0.289 199 T C -0.345 174.444 174.700 0.148 0.000 1.014 199 T CA -0.122 62.083 62.100 0.175 0.000 0.986 199 T CB 1.512 70.490 68.868 0.184 0.000 1.021 199 T HN 1.036 nan 8.240 nan 0.000 0.458 200 T N 1.137 115.782 114.554 0.150 0.000 2.916 200 T HA 0.573 4.924 4.350 0.001 0.000 0.292 200 T C -0.847 173.948 174.700 0.159 0.000 1.064 200 T CA -0.795 61.426 62.100 0.201 0.000 1.011 200 T CB 1.394 70.405 68.868 0.239 0.000 1.152 200 T HN 0.763 nan 8.240 nan 0.000 0.510 201 H N 0.429 119.601 119.070 0.170 0.000 2.458 201 H HA 0.681 5.238 4.556 0.001 0.000 0.330 201 H C -0.030 175.424 175.328 0.210 0.000 1.111 201 H CA -0.093 56.084 56.048 0.215 0.000 1.245 201 H CB 1.297 31.357 29.762 0.496 0.000 1.456 201 H HN 1.073 nan 8.280 nan 0.000 0.488 202 T N 1.382 115.967 114.554 0.051 0.000 2.841 202 T HA 0.628 4.979 4.350 0.001 0.000 0.296 202 T C -0.648 174.071 174.700 0.032 0.000 1.166 202 T CA -0.760 61.408 62.100 0.112 0.000 1.007 202 T CB 1.276 70.189 68.868 0.076 0.000 1.253 202 T HN 0.704 nan 8.240 nan 0.000 0.511 203 A N 0.815 123.654 122.820 0.031 0.000 3.000 203 A HA 0.742 5.063 4.320 0.001 0.000 0.315 203 A C 1.717 179.264 177.584 -0.062 0.000 1.434 203 A CA -0.093 51.932 52.037 -0.021 0.000 1.108 203 A CB -0.987 17.992 19.000 -0.035 0.000 1.171 203 A HN 1.455 nan 8.150 nan 0.000 0.524 204 A N 1.663 124.458 122.820 -0.042 0.000 1.944 204 A HA -0.287 4.033 4.320 0.001 0.000 0.222 204 A C 2.575 180.022 177.584 -0.229 0.000 1.237 204 A CA 2.847 54.852 52.037 -0.053 0.000 0.668 204 A CB -1.097 17.928 19.000 0.041 0.000 0.830 204 A HN 1.689 nan 8.150 nan 0.000 0.471 205 S N -1.083 114.527 115.700 -0.151 0.000 2.440 205 S HA -0.198 4.272 4.470 0.001 0.000 0.238 205 S C 1.579 176.057 174.600 -0.203 0.000 1.010 205 S CA 1.528 59.633 58.200 -0.158 0.000 0.972 205 S CB -0.393 62.754 63.200 -0.087 0.000 0.774 205 S HN 0.713 nan 8.310 nan 0.000 0.501 206 Q N 0.088 119.766 119.800 -0.203 0.000 2.247 206 Q HA 0.310 4.651 4.340 0.001 0.000 0.204 206 Q C -0.158 175.691 176.000 -0.252 0.000 0.872 206 Q CA -0.260 55.432 55.803 -0.185 0.000 0.951 206 Q CB 0.213 28.881 28.738 -0.117 0.000 1.099 206 Q HN 0.532 nan 8.270 nan 0.000 0.501 207 R N 0.313 120.533 120.500 -0.466 0.000 3.875 207 R HA -0.194 4.147 4.340 0.001 0.000 0.321 207 R C -0.057 176.135 176.300 -0.179 0.000 1.196 207 R CA 0.632 56.330 56.100 -0.671 0.000 0.868 207 R CB -1.546 28.464 30.300 -0.483 0.000 1.333 207 R HN 0.302 nan 8.270 nan 0.000 0.522 208 D N -0.101 120.239 120.400 -0.100 0.000 2.191 208 D HA -0.178 4.463 4.640 0.001 0.000 0.195 208 D C 1.993 178.318 176.300 0.041 0.000 1.003 208 D CA 1.854 55.845 54.000 -0.015 0.000 0.867 208 D CB -0.437 40.367 40.800 0.007 0.000 0.926 208 D HN 0.627 nan 8.370 nan 0.000 0.450 209 G N 0.506 109.405 108.800 0.165 0.000 2.503 209 G HA2 -0.339 3.622 3.960 0.001 0.000 0.221 209 G HA3 -0.339 3.622 3.960 0.001 0.000 0.221 209 G C 1.518 176.415 174.900 -0.006 0.000 1.131 209 G CA 1.015 46.176 45.100 0.102 0.000 0.756 209 G HN 0.340 nan 8.290 nan 0.000 0.572 210 E N -0.100 120.154 120.200 0.090 0.000 2.077 210 E HA -0.170 4.181 4.350 0.001 0.000 0.193 210 E C 2.607 179.182 176.600 -0.041 0.000 0.989 210 E CA 1.229 57.640 56.400 0.018 0.000 0.800 210 E CB -0.160 29.585 29.700 0.075 0.000 0.746 210 E HN 0.751 nan 8.360 nan 0.000 0.452 211 Q N 0.836 120.606 119.800 -0.050 0.000 2.245 211 Q HA -0.182 4.159 4.340 0.001 0.000 0.201 211 Q C 1.812 177.714 176.000 -0.163 0.000 0.955 211 Q CA 1.037 56.790 55.803 -0.084 0.000 0.870 211 Q CB 0.016 28.710 28.738 -0.073 0.000 0.945 211 Q HN 0.334 nan 8.270 nan 0.000 0.461 212 Q N 0.578 120.261 119.800 -0.195 0.000 2.079 212 Q HA -0.083 4.258 4.340 0.001 0.000 0.200 212 Q C 2.236 177.970 176.000 -0.444 0.000 0.974 212 Q CA 1.435 56.994 55.803 -0.407 0.000 0.840 212 Q CB -0.191 28.395 28.738 -0.253 0.000 0.898 212 Q HN 0.538 nan 8.270 nan 0.000 0.430 213 A N 1.520 124.232 122.820 -0.181 0.000 1.877 213 A HA -0.164 4.157 4.320 0.001 0.000 0.216 213 A C 2.375 179.999 177.584 0.066 0.000 1.186 213 A CA 1.672 53.694 52.037 -0.026 0.000 0.620 213 A CB -0.950 17.895 19.000 -0.257 0.000 0.822 213 A HN 0.398 nan 8.150 nan 0.000 0.443 214 A N 0.016 122.825 122.820 -0.019 0.000 1.873 214 A HA -0.185 4.135 4.320 0.001 0.000 0.218 214 A C 2.149 179.728 177.584 -0.007 0.000 1.193 214 A CA 1.821 53.859 52.037 0.003 0.000 0.629 214 A CB -0.736 18.250 19.000 -0.023 0.000 0.826 214 A HN 0.516 nan 8.150 nan 0.000 0.447 215 I N -1.768 118.736 120.570 -0.111 0.000 2.179 215 I HA -0.245 3.925 4.170 0.001 0.000 0.242 215 I C 2.268 178.387 176.117 0.002 0.000 1.088 215 I CA 1.330 62.559 61.300 -0.119 0.000 1.357 215 I CB -0.401 37.443 38.000 -0.260 0.000 1.051 215 I HN 0.291 nan 8.210 nan 0.000 0.409 216 F N 1.175 121.165 119.950 0.067 0.000 2.171 216 F HA -0.187 4.340 4.527 0.001 0.000 0.300 216 F C 2.516 178.375 175.800 0.098 0.000 1.090 216 F CA 1.263 59.319 58.000 0.094 0.000 1.293 216 F CB -0.953 38.134 39.000 0.144 0.000 1.013 216 F HN 0.126 nan 8.300 nan 0.000 0.486 217 E N -0.337 120.041 120.200 0.298 0.000 2.106 217 E HA -0.166 4.185 4.350 0.001 0.000 0.192 217 E C 2.322 179.001 176.600 0.131 0.000 0.984 217 E CA 1.381 57.901 56.400 0.201 0.000 0.806 217 E CB -0.283 29.527 29.700 0.184 0.000 0.750 217 E HN 0.370 nan 8.360 nan 0.000 0.458 218 S N 0.850 116.615 115.700 0.109 0.000 2.447 218 S HA -0.120 4.350 4.470 0.001 0.000 0.233 218 S C 1.611 176.258 174.600 0.078 0.000 1.006 218 S CA 0.805 59.049 58.200 0.074 0.000 0.957 218 S CB 0.025 63.254 63.200 0.048 0.000 0.773 218 S HN 0.116 nan 8.310 nan 0.000 0.507 219 E N 0.485 120.751 120.200 0.110 0.000 2.479 219 E HA 0.215 4.565 4.350 0.001 0.000 0.193 219 E C 1.346 177.999 176.600 0.089 0.000 1.049 219 E CA 0.556 57.017 56.400 0.102 0.000 0.870 219 E CB 0.263 30.044 29.700 0.133 0.000 0.944 219 E HN 0.736 nan 8.360 nan 0.000 0.492 220 G N 1.579 110.433 108.800 0.090 0.000 2.176 220 G HA2 -0.263 3.698 3.960 0.001 0.000 0.232 220 G HA3 -0.263 3.698 3.960 0.001 0.000 0.232 220 G C 0.088 175.024 174.900 0.060 0.000 0.986 220 G CA 0.219 45.358 45.100 0.064 0.000 0.643 220 G HN 0.245 nan 8.290 nan 0.000 0.522 221 L N 2.383 123.658 121.223 0.088 0.000 2.410 221 L HA 0.664 5.005 4.340 0.001 0.000 0.273 221 L C 1.023 177.909 176.870 0.027 0.000 1.152 221 L CA 0.419 55.289 54.840 0.050 0.000 0.855 221 L CB 1.278 43.361 42.059 0.040 0.000 1.129 221 L HN 0.500 nan 8.230 nan 0.000 0.463 222 S N 6.231 121.916 115.700 -0.024 0.000 2.499 222 S HA 0.371 4.841 4.470 0.001 0.000 0.275 222 S C -1.573 172.945 174.600 -0.136 0.000 1.257 222 S CA -1.030 57.130 58.200 -0.067 0.000 1.050 222 S CB 0.872 64.036 63.200 -0.061 0.000 0.937 222 S HN 0.625 nan 8.310 nan 0.000 0.490 223 P HA -0.126 nan 4.420 nan 0.000 0.218 223 P C 1.348 178.408 177.300 -0.401 0.000 1.146 223 P CA 1.316 63.990 63.100 -0.710 0.000 0.813 223 P CB -0.265 30.548 31.700 -1.478 0.000 0.778 224 S N -1.882 113.684 115.700 -0.223 0.000 2.603 224 S HA 0.008 4.479 4.470 0.001 0.000 0.229 224 S C 1.586 176.199 174.600 0.022 0.000 0.972 224 S CA 0.363 58.510 58.200 -0.088 0.000 0.935 224 S CB -0.582 62.581 63.200 -0.061 0.000 0.769 224 S HN 0.014 nan 8.310 nan 0.000 0.536 225 R N 0.423 120.926 120.500 0.005 0.000 2.437 225 R HA 0.409 4.750 4.340 0.001 0.000 0.257 225 R C -0.653 175.736 176.300 0.149 0.000 0.927 225 R CA 0.094 56.224 56.100 0.049 0.000 1.078 225 R CB 0.829 31.096 30.300 -0.055 0.000 1.161 225 R HN 0.343 nan 8.270 nan 0.000 0.529 226 V N 0.461 120.469 119.914 0.156 0.000 2.604 226 V HA 0.302 4.422 4.120 0.001 0.000 0.305 226 V C -0.436 175.770 176.094 0.186 0.000 1.043 226 V CA -1.198 61.209 62.300 0.178 0.000 0.888 226 V CB 2.525 34.430 31.823 0.137 0.000 0.995 226 V HN 0.119 nan 8.190 nan 0.000 0.429 227 C N 6.797 126.165 119.300 0.114 0.000 2.301 227 C HA 0.604 5.065 4.460 0.001 0.000 0.323 227 C C -0.358 174.637 174.990 0.008 0.000 1.265 227 C CA -0.616 58.352 59.018 -0.084 0.000 1.503 227 C CB -0.411 27.104 27.740 -0.375 0.000 2.195 227 C HN 0.695 nan 8.230 nan 0.000 0.477 228 I N 6.691 127.255 120.570 -0.011 0.000 2.281 228 I HA 0.299 4.469 4.170 0.001 0.000 0.293 228 I C 1.250 177.331 176.117 -0.061 0.000 1.085 228 I CA 0.420 61.711 61.300 -0.016 0.000 1.257 228 I CB -0.005 37.953 38.000 -0.070 0.000 1.430 228 I HN 0.900 nan 8.210 nan 0.000 0.489 229 G N 4.597 113.349 108.800 -0.081 0.000 2.562 229 G HA2 0.270 4.231 3.960 0.001 0.000 0.275 229 G HA3 0.270 4.231 3.960 0.001 0.000 0.275 229 G C 0.337 175.092 174.900 -0.241 0.000 1.196 229 G CA -0.110 44.858 45.100 -0.219 0.000 0.908 229 G HN 0.782 nan 8.290 nan 0.000 0.524 230 H N -0.903 118.062 119.070 -0.175 0.000 2.958 230 H HA -0.161 4.395 4.556 0.001 0.000 0.274 230 H C 1.974 177.226 175.328 -0.127 0.000 1.184 230 H CA 0.568 56.474 56.048 -0.236 0.000 1.143 230 H CB -1.735 27.813 29.762 -0.356 0.000 1.297 230 H HN 0.368 nan 8.280 nan 0.000 0.356 231 S N 0.305 116.000 115.700 -0.007 0.000 2.474 231 S HA -0.101 4.370 4.470 0.001 0.000 0.235 231 S C 1.647 176.268 174.600 0.035 0.000 0.997 231 S CA 1.067 59.285 58.200 0.030 0.000 0.949 231 S CB 0.033 63.224 63.200 -0.015 0.000 0.766 231 S HN 0.650 nan 8.310 nan 0.000 0.517 232 D N 0.949 121.355 120.400 0.011 0.000 2.363 232 D HA -0.063 4.577 4.640 0.001 0.000 0.226 232 D C 0.386 176.698 176.300 0.020 0.000 1.020 232 D CA 0.375 54.388 54.000 0.021 0.000 0.892 232 D CB -0.338 40.476 40.800 0.023 0.000 0.900 232 D HN 0.201 nan 8.370 nan 0.000 0.531 233 D N -0.001 120.403 120.400 0.007 0.000 2.349 233 D HA -0.005 4.636 4.640 0.001 0.000 0.224 233 D C 0.415 176.722 176.300 0.012 0.000 1.029 233 D CA 0.535 54.531 54.000 -0.007 0.000 0.879 233 D CB 0.372 41.142 40.800 -0.049 0.000 0.906 233 D HN 0.193 nan 8.370 nan 0.000 0.528 234 T N -0.835 113.743 114.554 0.039 0.000 2.916 234 T HA 0.212 4.562 4.350 0.001 0.000 0.292 234 T C -0.287 174.445 174.700 0.053 0.000 1.055 234 T CA -0.722 61.403 62.100 0.041 0.000 1.009 234 T CB 1.792 70.698 68.868 0.064 0.000 1.118 234 T HN -0.319 nan 8.240 nan 0.000 0.497 235 D N 1.202 121.627 120.400 0.042 0.000 2.398 235 D HA 0.120 4.760 4.640 0.001 0.000 0.210 235 D C -0.207 176.125 176.300 0.052 0.000 1.094 235 D CA -0.031 53.995 54.000 0.043 0.000 0.839 235 D CB 0.398 41.216 40.800 0.030 0.000 0.963 235 D HN 0.507 nan 8.370 nan 0.000 0.506 236 D N 1.613 122.055 120.400 0.071 0.000 2.498 236 D HA -0.031 4.610 4.640 0.001 0.000 0.229 236 D C 1.373 177.740 176.300 0.113 0.000 1.188 236 D CA -0.252 53.802 54.000 0.090 0.000 1.028 236 D CB 0.401 41.254 40.800 0.089 0.000 1.087 236 D HN -0.049 nan 8.370 nan 0.000 0.510 237 L N 3.273 124.537 121.223 0.069 0.000 2.127 237 L HA -0.186 4.154 4.340 0.001 0.000 0.211 237 L C 2.326 179.217 176.870 0.036 0.000 1.089 237 L CA 1.853 56.721 54.840 0.046 0.000 0.757 237 L CB -0.592 41.490 42.059 0.039 0.000 0.899 237 L HN 0.437 nan 8.230 nan 0.000 0.434 238 S N -1.736 113.998 115.700 0.057 0.000 2.402 238 S HA -0.276 4.194 4.470 0.001 0.000 0.229 238 S C 2.145 176.784 174.600 0.064 0.000 1.021 238 S CA 1.081 59.312 58.200 0.051 0.000 0.974 238 S CB -1.076 62.157 63.200 0.056 0.000 0.800 238 S HN 0.596 nan 8.310 nan 0.000 0.484 239 Y N 2.625 122.912 120.300 -0.022 0.000 2.200 239 Y HA 0.080 4.630 4.550 0.001 0.000 0.290 239 Y C 1.847 177.719 175.900 -0.048 0.000 1.137 239 Y CA 1.294 59.375 58.100 -0.032 0.000 1.163 239 Y CB -0.488 37.953 38.460 -0.031 0.000 0.988 239 Y HN 0.240 nan 8.280 nan 0.000 0.518 240 L N -0.043 121.025 121.223 -0.258 0.000 2.056 240 L HA -0.162 4.178 4.340 0.001 0.000 0.207 240 L C 2.667 179.356 176.870 -0.302 0.000 1.078 240 L CA 1.866 56.493 54.840 -0.355 0.000 0.749 240 L CB -1.360 40.590 42.059 -0.183 0.000 0.901 240 L HN 0.369 nan 8.230 nan 0.000 0.433 241 T N -2.219 112.216 114.554 -0.198 0.000 2.915 241 T HA -0.084 4.267 4.350 0.001 0.000 0.269 241 T C 1.940 176.513 174.700 -0.211 0.000 1.071 241 T CA 0.906 62.869 62.100 -0.228 0.000 1.132 241 T CB -0.281 68.555 68.868 -0.054 0.000 0.878 241 T HN 0.301 nan 8.240 nan 0.000 0.479 242 A N 1.578 124.312 122.820 -0.142 0.000 1.898 242 A HA 0.207 4.528 4.320 0.001 0.000 0.216 242 A C 2.390 179.915 177.584 -0.098 0.000 1.181 242 A CA 1.218 53.204 52.037 -0.084 0.000 0.620 242 A CB -0.799 18.175 19.000 -0.043 0.000 0.819 242 A HN 0.543 nan 8.150 nan 0.000 0.442 243 L N -0.911 120.201 121.223 -0.186 0.000 2.109 243 L HA -0.100 4.241 4.340 0.001 0.000 0.207 243 L C 3.049 179.889 176.870 -0.051 0.000 1.086 243 L CA 0.857 55.635 54.840 -0.103 0.000 0.760 243 L CB -0.476 41.426 42.059 -0.262 0.000 0.910 243 L HN 0.409 nan 8.230 nan 0.000 0.437 244 A N 0.256 122.913 122.820 -0.271 0.000 1.877 244 A HA -0.185 4.136 4.320 0.001 0.000 0.216 244 A C 2.567 179.984 177.584 -0.279 0.000 1.186 244 A CA 1.718 53.497 52.037 -0.431 0.000 0.620 244 A CB -0.813 17.563 19.000 -1.041 0.000 0.822 244 A HN 0.371 nan 8.150 nan 0.000 0.443 245 A N -0.129 122.559 122.820 -0.220 0.000 1.917 245 A HA -0.233 4.087 4.320 0.001 0.000 0.219 245 A C 2.210 179.830 177.584 0.060 0.000 1.182 245 A CA 1.813 53.887 52.037 0.061 0.000 0.633 245 A CB -0.495 18.554 19.000 0.081 0.000 0.819 245 A HN 0.566 nan 8.150 nan 0.000 0.448 246 R N -1.959 118.568 120.500 0.045 0.000 2.235 246 R HA 0.111 4.451 4.340 0.001 0.000 0.213 246 R C 1.458 177.717 176.300 -0.067 0.000 1.059 246 R CA 0.744 56.874 56.100 0.050 0.000 0.997 246 R CB -0.117 30.287 30.300 0.174 0.000 0.884 246 R HN 0.752 nan 8.270 nan 0.000 0.462 247 G N -1.546 107.203 108.800 -0.086 0.000 2.229 247 G HA2 -0.227 3.733 3.960 0.001 0.000 0.189 247 G HA3 -0.227 3.733 3.960 0.001 0.000 0.189 247 G C -0.237 174.498 174.900 -0.274 0.000 1.000 247 G CA -0.669 44.323 45.100 -0.179 0.000 0.663 247 G HN 0.149 nan 8.290 nan 0.000 0.493 248 Y N 0.247 120.515 120.300 -0.054 0.000 2.426 248 Y HA 0.563 5.113 4.550 0.001 0.000 0.344 248 Y C 1.156 176.990 175.900 -0.110 0.000 1.256 248 Y CA -0.279 57.780 58.100 -0.068 0.000 1.451 248 Y CB 0.434 38.852 38.460 -0.071 0.000 1.342 248 Y HN 0.115 nan 8.280 nan 0.000 0.600 249 L N 3.253 124.486 121.223 0.017 0.000 2.334 249 L HA 0.270 4.610 4.340 0.001 0.000 0.277 249 L C -0.510 176.295 176.870 -0.109 0.000 1.075 249 L CA -0.097 54.674 54.840 -0.115 0.000 0.804 249 L CB 0.505 42.379 42.059 -0.309 0.000 1.174 249 L HN 0.355 nan 8.230 nan 0.000 0.438 250 I N 2.083 122.575 120.570 -0.130 0.000 2.339 250 I HA 0.332 4.503 4.170 0.001 0.000 0.290 250 I C 0.669 176.713 176.117 -0.122 0.000 0.994 250 I CA -0.251 60.974 61.300 -0.124 0.000 1.191 250 I CB 1.052 38.974 38.000 -0.130 0.000 1.343 250 I HN 0.627 nan 8.210 nan 0.000 0.458 251 G N 7.362 116.092 108.800 -0.118 0.000 2.356 251 G HA2 0.551 4.512 3.960 0.001 0.000 0.312 251 G HA3 0.551 4.512 3.960 0.001 0.000 0.312 251 G C -0.269 174.581 174.900 -0.082 0.000 1.096 251 G CA -0.407 44.627 45.100 -0.110 0.000 0.950 251 G HN 0.554 nan 8.290 nan 0.000 0.428 252 L N 3.375 124.569 121.223 -0.049 0.000 2.417 252 L HA 0.275 4.615 4.340 0.001 0.000 0.258 252 L C 0.105 176.973 176.870 -0.003 0.000 1.088 252 L CA -0.592 54.240 54.840 -0.012 0.000 0.975 252 L CB 0.908 42.978 42.059 0.020 0.000 1.341 252 L HN 0.692 nan 8.230 nan 0.000 0.431 253 D N -0.593 119.777 120.400 -0.051 0.000 2.469 253 D HA 0.076 4.716 4.640 0.001 0.000 0.215 253 D C 1.122 177.348 176.300 -0.124 0.000 1.154 253 D CA -0.075 53.880 54.000 -0.076 0.000 0.832 253 D CB 0.842 41.532 40.800 -0.183 0.000 1.008 253 D HN 0.277 nan 8.370 nan 0.000 0.506 254 G N 0.919 109.633 108.800 -0.145 0.000 4.432 254 G HA2 0.211 4.172 3.960 0.001 0.000 0.294 254 G HA3 0.211 4.172 3.960 0.001 0.000 0.294 254 G C 0.997 175.909 174.900 0.020 0.000 1.141 254 G CA -0.367 44.561 45.100 -0.287 0.000 0.895 254 G HN 0.102 nan 8.290 nan 0.000 0.548 255 I N 1.286 121.921 120.570 0.110 0.000 2.185 255 I HA -0.117 4.054 4.170 0.001 0.000 0.246 255 I C -0.526 175.683 176.117 0.155 0.000 1.088 255 I CA 1.372 62.794 61.300 0.204 0.000 1.347 255 I CB -1.655 36.535 38.000 0.315 0.000 1.041 255 I HN 0.122 nan 8.210 nan 0.000 0.415 256 P HA -0.059 nan 4.420 nan 0.000 0.255 256 P C -0.056 177.234 177.300 -0.016 0.000 1.248 256 P CA 0.271 63.032 63.100 -0.565 0.000 0.807 256 P CB -0.263 30.742 31.700 -1.159 0.000 1.150 257 W N 1.654 122.932 121.300 -0.036 0.000 2.585 257 W HA 0.422 5.082 4.660 0.001 0.000 0.337 257 W C 0.605 177.151 176.519 0.045 0.000 1.226 257 W CA 0.517 57.889 57.345 0.044 0.000 1.463 257 W CB 0.089 29.572 29.460 0.037 0.000 1.458 257 W HN -0.142 nan 8.180 nan 0.000 0.458 258 S N 1.982 117.785 115.700 0.172 0.000 2.566 258 S HA 0.642 5.112 4.470 0.001 0.000 0.273 258 S C 0.069 174.715 174.600 0.077 0.000 1.157 258 S CA -0.214 58.071 58.200 0.141 0.000 0.938 258 S CB 1.208 64.504 63.200 0.161 0.000 1.087 258 S HN 0.453 nan 8.310 nan 0.000 0.474 259 A N 4.673 127.535 122.820 0.069 0.000 2.379 259 A HA 0.421 4.742 4.320 0.001 0.000 0.236 259 A C 0.643 178.253 177.584 0.044 0.000 1.272 259 A CA -0.292 51.771 52.037 0.042 0.000 0.886 259 A CB -0.495 18.529 19.000 0.039 0.000 0.962 259 A HN 0.843 nan 8.150 nan 0.000 0.504 260 I N 1.051 121.655 120.570 0.056 0.000 2.907 260 I HA 0.000 4.171 4.170 0.001 0.000 0.285 260 I C 1.495 177.638 176.117 0.044 0.000 1.189 260 I CA 1.656 62.987 61.300 0.050 0.000 1.376 260 I CB -0.168 37.866 38.000 0.057 0.000 1.420 260 I HN 0.540 nan 8.210 nan 0.000 0.544 261 G N 5.055 113.875 108.800 0.034 0.000 2.176 261 G HA2 -0.239 3.721 3.960 0.001 0.000 0.232 261 G HA3 -0.239 3.721 3.960 0.001 0.000 0.232 261 G C 0.512 175.426 174.900 0.024 0.000 0.986 261 G CA -0.261 44.857 45.100 0.029 0.000 0.643 261 G HN 0.550 nan 8.290 nan 0.000 0.522 262 L N 0.378 121.615 121.223 0.024 0.000 2.808 262 L HA 0.254 4.594 4.340 0.001 0.000 0.246 262 L C 1.875 178.756 176.870 0.019 0.000 1.153 262 L CA 0.318 55.169 54.840 0.019 0.000 0.956 262 L CB 0.306 42.375 42.059 0.016 0.000 1.270 262 L HN 0.199 nan 8.230 nan 0.000 0.528 263 E N 0.431 120.644 120.200 0.021 0.000 2.396 263 E HA -0.245 4.106 4.350 0.001 0.000 0.200 263 E C 1.140 177.750 176.600 0.016 0.000 1.023 263 E CA 1.401 57.813 56.400 0.020 0.000 0.857 263 E CB -0.249 29.464 29.700 0.021 0.000 0.775 263 E HN 0.610 nan 8.360 nan 0.000 0.525 264 D N -0.179 120.229 120.400 0.013 0.000 2.348 264 D HA -0.125 4.515 4.640 0.001 0.000 0.216 264 D C 0.380 176.685 176.300 0.007 0.000 0.970 264 D CA 0.429 54.434 54.000 0.009 0.000 0.889 264 D CB -0.042 40.762 40.800 0.007 0.000 0.912 264 D HN -0.051 nan 8.370 nan 0.000 0.524 265 N N 0.140 118.847 118.700 0.011 0.000 2.558 265 N HA 0.360 5.101 4.740 0.001 0.000 0.242 265 N C 0.502 176.025 175.510 0.021 0.000 0.979 265 N CA -0.320 52.736 53.050 0.011 0.000 0.931 265 N CB 1.362 39.854 38.487 0.009 0.000 1.122 265 N HN 0.034 nan 8.380 nan 0.000 0.508 266 A N 2.520 125.351 122.820 0.019 0.000 1.930 266 A HA -0.138 4.182 4.320 0.001 0.000 0.217 266 A C 2.101 179.717 177.584 0.053 0.000 1.175 266 A CA 2.000 54.054 52.037 0.029 0.000 0.627 266 A CB -0.547 18.464 19.000 0.018 0.000 0.815 266 A HN 0.725 nan 8.150 nan 0.000 0.443 267 S N 0.198 115.929 115.700 0.052 0.000 2.368 267 S HA 0.061 4.531 4.470 0.001 0.000 0.224 267 S C 2.151 176.865 174.600 0.189 0.000 1.029 267 S CA 1.325 59.592 58.200 0.111 0.000 0.988 267 S CB -0.727 62.479 63.200 0.011 0.000 0.838 267 S HN 0.867 nan 8.310 nan 0.000 0.462 268 A N 2.315 125.198 122.820 0.104 0.000 1.877 268 A HA -0.041 4.279 4.320 0.001 0.000 0.216 268 A C 2.599 180.212 177.584 0.047 0.000 1.186 268 A CA 2.340 54.413 52.037 0.060 0.000 0.620 268 A CB -1.488 17.524 19.000 0.019 0.000 0.822 268 A HN 0.867 nan 8.150 nan 0.000 0.443 269 S N 0.184 115.916 115.700 0.053 0.000 2.382 269 S HA 0.011 4.481 4.470 0.001 0.000 0.228 269 S C 2.087 176.731 174.600 0.072 0.000 1.027 269 S CA 1.484 59.716 58.200 0.054 0.000 0.991 269 S CB -0.588 62.638 63.200 0.043 0.000 0.823 269 S HN 0.935 nan 8.310 nan 0.000 0.469 270 A N 1.353 124.227 122.820 0.091 0.000 1.933 270 A HA 0.122 4.443 4.320 0.001 0.000 0.218 270 A C 2.261 179.913 177.584 0.114 0.000 1.175 270 A CA 1.533 53.634 52.037 0.106 0.000 0.628 270 A CB -0.765 18.317 19.000 0.137 0.000 0.814 270 A HN 0.618 nan 8.150 nan 0.000 0.444 271 L N -0.715 120.567 121.223 0.099 0.000 2.071 271 L HA 0.078 4.418 4.340 0.001 0.000 0.201 271 L C 2.228 179.230 176.870 0.220 0.000 1.076 271 L CA 1.356 56.241 54.840 0.076 0.000 0.755 271 L CB -0.268 41.670 42.059 -0.203 0.000 0.915 271 L HN 0.345 nan 8.230 nan 0.000 0.445 272 L N -0.088 121.205 121.223 0.116 0.000 2.217 272 L HA 0.237 4.578 4.340 0.001 0.000 0.211 272 L C 1.211 178.221 176.870 0.234 0.000 1.107 272 L CA 0.406 55.367 54.840 0.202 0.000 0.783 272 L CB -1.186 40.869 42.059 -0.006 0.000 0.919 272 L HN 0.535 nan 8.230 nan 0.000 0.442 273 G N 0.772 109.659 108.800 0.145 0.000 2.710 273 G HA2 -0.204 3.756 3.960 0.001 0.000 0.668 273 G HA3 -0.204 3.756 3.960 0.001 0.000 0.668 273 G C -0.027 174.926 174.900 0.088 0.000 1.320 273 G CA -0.174 44.993 45.100 0.111 0.000 0.860 273 G HN 0.281 nan 8.290 nan 0.000 0.538 274 I N -2.320 118.291 120.570 0.068 0.000 3.817 274 I HA 0.477 4.648 4.170 0.001 0.000 0.325 274 I C 0.427 176.574 176.117 0.050 0.000 1.550 274 I CA -0.495 60.838 61.300 0.056 0.000 1.100 274 I CB 0.105 38.130 38.000 0.042 0.000 1.216 274 I HN 0.367 nan 8.210 nan 0.000 0.481 275 R N 1.877 122.413 120.500 0.060 0.000 2.428 275 R HA 0.450 4.791 4.340 0.001 0.000 0.294 275 R C 0.609 176.947 176.300 0.063 0.000 1.000 275 R CA -0.254 55.876 56.100 0.049 0.000 0.960 275 R CB 1.828 32.159 30.300 0.052 0.000 1.076 275 R HN 0.460 nan 8.270 nan 0.000 0.475 276 S N 2.444 118.160 115.700 0.026 0.000 2.624 276 S HA 0.065 4.535 4.470 0.001 0.000 0.263 276 S C 1.358 175.985 174.600 0.045 0.000 1.287 276 S CA -0.900 57.307 58.200 0.012 0.000 0.990 276 S CB 0.504 63.640 63.200 -0.107 0.000 0.950 276 S HN 0.914 nan 8.310 nan 0.000 0.561 277 W N 0.963 122.273 121.300 0.017 0.000 2.388 277 W HA -0.131 4.530 4.660 0.001 0.000 0.294 277 W C 1.160 177.673 176.519 -0.010 0.000 1.212 277 W CA 1.093 58.457 57.345 0.033 0.000 1.271 277 W CB -1.285 28.225 29.460 0.082 0.000 1.126 277 W HN 0.649 nan 8.180 nan 0.000 0.535 278 Q N 1.328 120.583 119.800 -0.908 0.000 2.096 278 Q HA -0.149 4.191 4.340 0.001 0.000 0.204 278 Q C 2.317 178.193 176.000 -0.207 0.000 0.982 278 Q CA 3.539 58.805 55.803 -0.895 0.000 0.850 278 Q CB -1.142 27.052 28.738 -0.908 0.000 0.901 278 Q HN 0.184 nan 8.270 nan 0.000 0.422 279 T N 0.307 114.790 114.554 -0.119 0.000 2.788 279 T HA -0.134 4.217 4.350 0.001 0.000 0.268 279 T C 1.691 176.426 174.700 0.057 0.000 1.044 279 T CA 1.376 63.473 62.100 -0.005 0.000 1.139 279 T CB -0.121 68.745 68.868 -0.003 0.000 0.867 279 T HN 0.232 nan 8.240 nan 0.000 0.454 280 R N 0.851 121.404 120.500 0.088 0.000 2.066 280 R HA 0.091 4.432 4.340 0.001 0.000 0.232 280 R C 2.896 179.295 176.300 0.165 0.000 1.131 280 R CA 1.219 57.395 56.100 0.128 0.000 0.955 280 R CB -0.530 29.868 30.300 0.163 0.000 0.851 280 R HN 0.343 nan 8.270 nan 0.000 0.432 281 A N 1.348 124.306 122.820 0.231 0.000 1.917 281 A HA -0.172 4.149 4.320 0.001 0.000 0.219 281 A C 2.178 179.924 177.584 0.269 0.000 1.182 281 A CA 1.344 53.565 52.037 0.308 0.000 0.633 281 A CB -0.679 18.590 19.000 0.449 0.000 0.819 281 A HN 0.208 nan 8.150 nan 0.000 0.448 282 L N -0.764 120.602 121.223 0.240 0.000 2.127 282 L HA -0.198 4.143 4.340 0.001 0.000 0.211 282 L C 2.462 179.400 176.870 0.113 0.000 1.089 282 L CA 0.932 55.877 54.840 0.174 0.000 0.757 282 L CB -0.540 41.602 42.059 0.137 0.000 0.899 282 L HN 0.390 nan 8.230 nan 0.000 0.434 283 L N -0.441 120.844 121.223 0.102 0.000 2.129 283 L HA -0.268 4.073 4.340 0.001 0.000 0.212 283 L C 2.419 179.332 176.870 0.072 0.000 1.087 283 L CA 1.369 56.254 54.840 0.074 0.000 0.757 283 L CB -0.461 41.636 42.059 0.063 0.000 0.896 283 L HN 0.238 nan 8.230 nan 0.000 0.434 284 I N -0.077 120.550 120.570 0.095 0.000 2.179 284 I HA -0.329 3.841 4.170 0.001 0.000 0.242 284 I C 2.668 178.826 176.117 0.067 0.000 1.088 284 I CA 1.533 62.882 61.300 0.082 0.000 1.357 284 I CB -0.342 37.721 38.000 0.105 0.000 1.051 284 I HN 0.219 nan 8.210 nan 0.000 0.409 285 K N 1.549 121.991 120.400 0.070 0.000 2.147 285 K HA -0.155 4.165 4.320 0.001 0.000 0.205 285 K C 2.148 178.771 176.600 0.038 0.000 1.049 285 K CA 1.353 57.664 56.287 0.039 0.000 0.936 285 K CB -0.117 32.393 32.500 0.016 0.000 0.722 285 K HN 0.287 nan 8.250 nan 0.000 0.446 286 A N 1.163 124.013 122.820 0.048 0.000 1.902 286 A HA -0.114 4.206 4.320 0.001 0.000 0.217 286 A C 2.060 179.684 177.584 0.066 0.000 1.181 286 A CA 1.432 53.499 52.037 0.049 0.000 0.623 286 A CB -0.573 18.456 19.000 0.048 0.000 0.818 286 A HN 0.344 nan 8.150 nan 0.000 0.443 287 L N -0.871 120.396 121.223 0.074 0.000 2.217 287 L HA -0.053 4.288 4.340 0.001 0.000 0.211 287 L C 2.342 179.297 176.870 0.142 0.000 1.107 287 L CA 0.553 55.467 54.840 0.123 0.000 0.783 287 L CB -0.356 41.754 42.059 0.086 0.000 0.919 287 L HN 0.358 nan 8.230 nan 0.000 0.442 288 I N -0.159 120.458 120.570 0.077 0.000 2.163 288 I HA -0.279 3.892 4.170 0.001 0.000 0.240 288 I C 2.065 178.195 176.117 0.021 0.000 1.081 288 I CA 1.230 62.557 61.300 0.044 0.000 1.353 288 I CB -0.325 37.688 38.000 0.021 0.000 1.054 288 I HN 0.230 nan 8.210 nan 0.000 0.407 289 D N 0.542 120.955 120.400 0.022 0.000 2.239 289 D HA -0.215 4.426 4.640 0.001 0.000 0.202 289 D C 1.941 178.243 176.300 0.003 0.000 0.993 289 D CA 1.165 55.170 54.000 0.007 0.000 0.874 289 D CB -0.244 40.562 40.800 0.010 0.000 0.922 289 D HN 0.456 nan 8.370 nan 0.000 0.464 290 Q N -0.718 119.106 119.800 0.040 0.000 2.403 290 Q HA 0.186 4.527 4.340 0.001 0.000 0.203 290 Q C 0.867 176.760 176.000 -0.178 0.000 0.932 290 Q CA 0.476 56.298 55.803 0.031 0.000 0.945 290 Q CB 0.958 29.824 28.738 0.213 0.000 1.045 290 Q HN 0.305 nan 8.270 nan 0.000 0.511 291 G N 1.043 109.740 108.800 -0.172 0.000 2.248 291 G HA2 -0.266 3.695 3.960 0.001 0.000 0.252 291 G HA3 -0.266 3.695 3.960 0.001 0.000 0.252 291 G C -0.277 174.355 174.900 -0.446 0.000 1.085 291 G CA -0.178 44.743 45.100 -0.298 0.000 0.845 291 G HN 0.374 nan 8.290 nan 0.000 0.494 292 Y N -0.745 119.543 120.300 -0.019 0.000 2.698 292 Y HA 0.327 4.877 4.550 0.001 0.000 0.261 292 Y C 2.194 178.077 175.900 -0.028 0.000 1.104 292 Y CA 0.132 58.217 58.100 -0.024 0.000 1.145 292 Y CB -0.101 38.344 38.460 -0.025 0.000 1.191 292 Y HN 0.434 nan 8.280 nan 0.000 0.564 293 M N -1.585 118.063 119.600 0.080 0.000 2.346 293 M HA -0.110 4.371 4.480 0.001 0.000 0.263 293 M C 1.346 177.664 176.300 0.030 0.000 1.064 293 M CA 1.830 57.157 55.300 0.045 0.000 1.083 293 M CB -0.251 32.355 32.600 0.010 0.000 1.399 293 M HN -0.060 nan 8.290 nan 0.000 0.435 294 K N 0.221 120.644 120.400 0.039 0.000 2.487 294 K HA 0.052 4.373 4.320 0.001 0.000 0.192 294 K C 1.225 177.837 176.600 0.020 0.000 1.027 294 K CA 0.393 56.692 56.287 0.020 0.000 1.054 294 K CB 0.200 32.710 32.500 0.017 0.000 0.824 294 K HN 0.527 nan 8.250 nan 0.000 0.510 295 Q N -0.028 119.799 119.800 0.046 0.000 2.247 295 Q HA 0.211 4.552 4.340 0.001 0.000 0.211 295 Q C 0.154 176.125 176.000 -0.049 0.000 0.861 295 Q CA 0.150 55.954 55.803 0.002 0.000 0.949 295 Q CB 0.896 29.651 28.738 0.028 0.000 1.115 295 Q HN 0.266 nan 8.270 nan 0.000 0.507 296 I N 1.528 122.078 120.570 -0.033 0.000 2.385 296 I HA 0.311 4.482 4.170 0.001 0.000 0.294 296 I C -0.367 175.706 176.117 -0.074 0.000 0.988 296 I CA -0.554 60.718 61.300 -0.047 0.000 1.265 296 I CB 1.162 39.157 38.000 -0.008 0.000 1.388 296 I HN -0.128 nan 8.210 nan 0.000 0.480 297 L N 6.867 128.036 121.223 -0.090 0.000 2.409 297 L HA 0.576 4.916 4.340 0.001 0.000 0.272 297 L C -0.723 176.126 176.870 -0.036 0.000 0.980 297 L CA -0.950 53.837 54.840 -0.089 0.000 0.826 297 L CB 2.126 44.083 42.059 -0.170 0.000 1.268 297 L HN 0.360 nan 8.230 nan 0.000 0.407 298 V N -0.390 119.527 119.914 0.005 0.000 2.555 298 V HA 0.871 4.991 4.120 0.001 0.000 0.302 298 V C -0.282 175.867 176.094 0.091 0.000 1.038 298 V CA -0.181 62.149 62.300 0.050 0.000 0.887 298 V CB 1.696 33.563 31.823 0.074 0.000 0.991 298 V HN 0.750 nan 8.190 nan 0.000 0.434 299 S N 1.862 117.621 115.700 0.100 0.000 2.776 299 S HA 0.543 5.014 4.470 0.001 0.000 0.292 299 S C 0.249 174.933 174.600 0.140 0.000 1.187 299 S CA -0.600 57.681 58.200 0.135 0.000 0.834 299 S CB 2.121 65.413 63.200 0.154 0.000 1.199 299 S HN 0.894 nan 8.310 nan 0.000 0.514 300 N N 0.707 119.514 118.700 0.178 0.000 2.407 300 N HA 0.080 4.820 4.740 0.001 0.000 0.182 300 N C -0.713 174.998 175.510 0.335 0.000 1.079 300 N CA 0.282 53.468 53.050 0.227 0.000 0.882 300 N CB 0.080 38.697 38.487 0.216 0.000 1.106 300 N HN 0.712 nan 8.380 nan 0.000 0.461 301 D N -0.022 120.549 120.400 0.286 0.000 2.746 301 D HA -0.174 4.466 4.640 0.001 0.000 0.236 301 D C -0.561 176.066 176.300 0.545 0.000 1.129 301 D CA 0.347 54.544 54.000 0.328 0.000 0.691 301 D CB -1.168 39.588 40.800 -0.073 0.000 1.077 301 D HN 0.373 nan 8.370 nan 0.000 0.432 302 W N -0.445 120.957 121.300 0.170 0.000 2.166 302 W HA 0.539 5.199 4.660 0.001 0.000 0.364 302 W C 0.632 177.060 176.519 -0.153 0.000 1.344 302 W CA 0.001 57.347 57.345 0.001 0.000 1.471 302 W CB 1.634 31.023 29.460 -0.117 0.000 1.220 302 W HN 0.077 nan 8.180 nan 0.000 0.666 303 T N 0.931 115.034 114.554 -0.751 0.000 2.830 303 T HA 0.315 4.665 4.350 0.001 0.000 0.322 303 T C -0.417 173.828 174.700 -0.758 0.000 1.501 303 T CA -0.500 61.194 62.100 -0.676 0.000 1.036 303 T CB 0.570 69.092 68.868 -0.577 0.000 1.379 303 T HN 0.185 nan 8.240 nan 0.000 0.493 304 F N 1.290 121.205 119.950 -0.057 0.000 2.704 304 F HA 0.544 5.072 4.527 0.002 0.000 0.304 304 F C 1.433 177.250 175.800 0.028 0.000 1.094 304 F CA -0.072 57.929 58.000 0.003 0.000 1.275 304 F CB 1.052 40.071 39.000 0.032 0.000 1.073 304 F HN 0.648 nan 8.300 nan 0.000 0.586 305 G N -0.373 108.514 108.800 0.144 0.000 2.706 305 G HA2 0.501 4.462 3.960 0.001 0.000 0.297 305 G HA3 0.501 4.462 3.960 0.001 0.000 0.297 305 G C -2.117 172.983 174.900 0.335 0.000 1.403 305 G CA -0.375 44.894 45.100 0.282 0.000 0.954 305 G HN -0.170 nan 8.290 nan 0.000 0.500 306 F N 2.740 122.870 119.950 0.300 0.000 3.287 306 F HA 0.391 4.918 4.527 0.001 0.000 0.379 306 F C 0.703 176.589 175.800 0.145 0.000 1.268 306 F CA -1.530 56.540 58.000 0.117 0.000 1.220 306 F CB 1.552 40.534 39.000 -0.031 0.000 1.687 306 F HN 0.509 nan 8.300 nan 0.000 0.648 307 S N 0.717 116.594 115.700 0.295 0.000 2.524 307 S HA 0.018 4.488 4.470 0.001 0.000 0.215 307 S C 1.175 175.570 174.600 -0.340 0.000 0.986 307 S CA 0.592 58.636 58.200 -0.261 0.000 0.911 307 S CB -0.218 62.436 63.200 -0.909 0.000 0.805 307 S HN 0.473 nan 8.310 nan 0.000 0.501 308 S N 0.121 115.791 115.700 -0.051 0.000 2.840 308 S HA 0.358 4.829 4.470 0.001 0.000 0.235 308 S C -0.262 174.379 174.600 0.068 0.000 0.968 308 S CA -0.556 57.645 58.200 0.002 0.000 1.026 308 S CB -0.754 62.529 63.200 0.138 0.000 0.788 308 S HN 0.607 nan 8.310 nan 0.000 0.487 309 Y N 0.326 120.399 120.300 -0.378 0.000 2.974 309 Y HA 0.534 5.084 4.550 0.001 0.000 0.310 309 Y C -0.236 175.474 175.900 -0.317 0.000 1.526 309 Y CA -1.524 56.317 58.100 -0.431 0.000 1.087 309 Y CB 0.895 38.824 38.460 -0.885 0.000 1.404 309 Y HN 0.134 nan 8.280 nan 0.000 0.491 310 V N 0.675 120.104 119.914 -0.809 0.000 2.999 310 V HA 0.283 4.403 4.120 0.001 0.000 0.307 310 V C -0.110 175.852 176.094 -0.220 0.000 1.084 310 V CA -0.297 61.716 62.300 -0.477 0.000 1.155 310 V CB -0.047 31.477 31.823 -0.499 0.000 0.975 310 V HN 0.731 nan 8.190 nan 0.000 0.490 311 T N 4.419 118.893 114.554 -0.133 0.000 2.901 311 T HA 0.296 4.647 4.350 0.001 0.000 0.301 311 T C 0.748 175.374 174.700 -0.122 0.000 1.012 311 T CA 0.800 62.846 62.100 -0.089 0.000 1.135 311 T CB -0.013 68.801 68.868 -0.089 0.000 0.936 311 T HN 1.092 nan 8.240 nan 0.000 0.539 312 N N -0.697 117.922 118.700 -0.135 0.000 2.984 312 N HA -0.170 4.571 4.740 0.001 0.000 0.227 312 N C 0.740 176.205 175.510 -0.075 0.000 0.903 312 N CA 0.402 53.388 53.050 -0.107 0.000 0.995 312 N CB -1.186 37.242 38.487 -0.099 0.000 1.065 312 N HN 0.516 nan 8.380 nan 0.000 0.585 313 I N 0.879 121.400 120.570 -0.082 0.000 2.226 313 I HA -0.159 4.011 4.170 0.001 0.000 0.245 313 I C 2.180 178.263 176.117 -0.056 0.000 1.100 313 I CA 1.559 62.818 61.300 -0.068 0.000 1.374 313 I CB -0.173 37.771 38.000 -0.093 0.000 1.057 313 I HN 0.294 nan 8.210 nan 0.000 0.413 314 M N -0.162 119.425 119.600 -0.023 0.000 2.106 314 M HA -0.260 4.221 4.480 0.001 0.000 0.259 314 M C 1.833 178.130 176.300 -0.004 0.000 1.068 314 M CA 1.802 57.103 55.300 0.002 0.000 1.100 314 M CB -1.221 31.418 32.600 0.064 0.000 1.351 314 M HN 0.263 nan 8.290 nan 0.000 0.404 315 D N -0.271 120.124 120.400 -0.010 0.000 2.117 315 D HA -0.103 4.537 4.640 0.001 0.000 0.197 315 D C 2.164 178.466 176.300 0.003 0.000 0.987 315 D CA 0.950 54.951 54.000 0.002 0.000 0.829 315 D CB -0.323 40.469 40.800 -0.013 0.000 0.961 315 D HN 0.160 nan 8.370 nan 0.000 0.460 316 V N 1.121 121.024 119.914 -0.018 0.000 2.287 316 V HA -0.275 3.846 4.120 0.001 0.000 0.248 316 V C 2.540 178.627 176.094 -0.011 0.000 1.053 316 V CA 1.505 63.794 62.300 -0.019 0.000 1.027 316 V CB -0.387 31.415 31.823 -0.035 0.000 0.646 316 V HN 0.221 nan 8.190 nan 0.000 0.447 317 M N -0.516 119.057 119.600 -0.046 0.000 2.086 317 M HA -0.196 4.284 4.480 0.001 0.000 0.261 317 M C 1.921 178.345 176.300 0.206 0.000 1.067 317 M CA 1.894 57.173 55.300 -0.034 0.000 1.116 317 M CB -0.748 31.637 32.600 -0.357 0.000 1.348 317 M HN 0.299 nan 8.290 nan 0.000 0.407 318 D N -0.095 120.407 120.400 0.171 0.000 2.263 318 D HA -0.088 4.553 4.640 0.001 0.000 0.208 318 D C 2.017 178.401 176.300 0.140 0.000 0.971 318 D CA 0.964 55.105 54.000 0.234 0.000 0.867 318 D CB -0.198 40.717 40.800 0.191 0.000 0.929 318 D HN 0.335 nan 8.370 nan 0.000 0.492 319 R N -0.037 120.516 120.500 0.088 0.000 2.075 319 R HA -0.002 4.338 4.340 0.001 0.000 0.226 319 R C 2.300 178.629 176.300 0.047 0.000 1.114 319 R CA 0.404 56.536 56.100 0.054 0.000 0.972 319 R CB -0.081 30.240 30.300 0.034 0.000 0.869 319 R HN 0.018 nan 8.270 nan 0.000 0.437 320 V N 1.107 121.054 119.914 0.055 0.000 2.407 320 V HA -0.169 3.951 4.120 0.001 0.000 0.248 320 V C 0.566 176.645 176.094 -0.025 0.000 1.055 320 V CA 1.340 63.658 62.300 0.031 0.000 1.049 320 V CB -0.438 31.403 31.823 0.031 0.000 0.662 320 V HN 0.347 nan 8.190 nan 0.000 0.455 321 N N -0.547 118.138 118.700 -0.024 0.000 2.725 321 N HA 0.248 4.988 4.740 0.001 0.000 0.248 321 N C -2.023 173.376 175.510 -0.186 0.000 1.402 321 N CA -1.582 51.319 53.050 -0.250 0.000 0.766 321 N CB 1.447 39.469 38.487 -0.776 0.000 1.223 321 N HN -0.015 nan 8.380 nan 0.000 0.515 322 P HA -0.067 nan 4.420 nan 0.000 0.219 322 P C 0.318 177.589 177.300 -0.048 0.000 1.146 322 P CA 1.083 64.174 63.100 -0.015 0.000 0.808 322 P CB 0.425 32.124 31.700 -0.002 0.000 0.779 323 D N -1.059 119.277 120.400 -0.108 0.000 2.317 323 D HA 0.043 4.683 4.640 0.001 0.000 0.211 323 D C 1.616 177.809 176.300 -0.179 0.000 0.966 323 D CA 1.235 55.172 54.000 -0.106 0.000 0.876 323 D CB -0.343 40.412 40.800 -0.074 0.000 0.927 323 D HN 0.123 nan 8.370 nan 0.000 0.519 324 G N 1.297 109.850 108.800 -0.412 0.000 2.566 324 G HA2 -0.395 3.566 3.960 0.001 0.000 0.280 324 G HA3 -0.395 3.566 3.960 0.001 0.000 0.280 324 G C 1.022 175.601 174.900 -0.535 0.000 1.225 324 G CA 0.417 45.140 45.100 -0.628 0.000 0.966 324 G HN 0.248 nan 8.290 nan 0.000 0.560 325 M N 1.130 120.619 119.600 -0.185 0.000 2.446 325 M HA 0.069 4.549 4.480 0.001 0.000 0.263 325 M C 2.668 178.943 176.300 -0.041 0.000 1.066 325 M CA 1.672 56.946 55.300 -0.044 0.000 1.087 325 M CB -0.205 32.451 32.600 0.094 0.000 1.406 325 M HN 0.757 nan 8.290 nan 0.000 0.459 326 A N -0.628 122.151 122.820 -0.069 0.000 2.235 326 A HA -0.061 4.259 4.320 0.001 0.000 0.208 326 A C 1.753 179.275 177.584 -0.104 0.000 1.172 326 A CA 0.260 52.239 52.037 -0.097 0.000 0.786 326 A CB -0.887 18.053 19.000 -0.100 0.000 0.804 326 A HN 0.519 nan 8.150 nan 0.000 0.479 327 F N 0.996 120.799 119.950 -0.245 0.000 2.095 327 F HA -0.240 4.287 4.527 0.001 0.000 0.298 327 F C 1.940 177.620 175.800 -0.201 0.000 1.104 327 F CA 1.750 59.576 58.000 -0.289 0.000 1.232 327 F CB -0.030 38.732 39.000 -0.396 0.000 0.987 327 F HN 0.200 nan 8.300 nan 0.000 0.475 328 I N 1.492 122.080 120.570 0.030 0.000 2.091 328 I HA -0.245 3.926 4.170 0.001 0.000 0.239 328 I C -0.311 175.789 176.117 -0.028 0.000 1.061 328 I CA 2.012 63.337 61.300 0.042 0.000 1.317 328 I CB -3.005 35.109 38.000 0.190 0.000 1.031 328 I HN 0.154 nan 8.210 nan 0.000 0.401 329 P HA -0.069 nan 4.420 nan 0.000 0.218 329 P C 2.218 179.464 177.300 -0.090 0.000 1.152 329 P CA 1.312 64.402 63.100 -0.017 0.000 0.826 329 P CB -0.015 31.587 31.700 -0.163 0.000 0.790 330 L N -1.399 119.715 121.223 -0.180 0.000 2.313 330 L HA 0.048 4.388 4.340 0.001 0.000 0.214 330 L C 2.632 179.340 176.870 -0.270 0.000 1.119 330 L CA 1.067 55.790 54.840 -0.196 0.000 0.809 330 L CB -0.281 41.649 42.059 -0.214 0.000 0.933 330 L HN -0.064 nan 8.230 nan 0.000 0.449 331 R N -1.927 118.293 120.500 -0.466 0.000 2.444 331 R HA 0.106 4.447 4.340 0.001 0.000 0.201 331 R C 2.019 178.096 176.300 -0.372 0.000 0.861 331 R CA 0.229 55.968 56.100 -0.601 0.000 1.034 331 R CB 0.486 29.991 30.300 -1.326 0.000 1.347 331 R HN 0.022 nan 8.270 nan 0.000 0.659 332 V N 1.446 121.154 119.914 -0.343 0.000 2.407 332 V HA -0.165 3.956 4.120 0.001 0.000 0.245 332 V C 2.099 178.308 176.094 0.190 0.000 1.041 332 V CA 1.373 63.705 62.300 0.053 0.000 1.040 332 V CB -0.225 31.657 31.823 0.097 0.000 0.671 332 V HN 0.095 nan 8.190 nan 0.000 0.455 333 I N 0.311 120.939 120.570 0.097 0.000 2.163 333 I HA -0.111 4.060 4.170 0.001 0.000 0.243 333 I C -0.193 175.986 176.117 0.102 0.000 1.085 333 I CA 1.660 63.024 61.300 0.107 0.000 1.347 333 I CB -1.864 36.199 38.000 0.104 0.000 1.044 333 I HN 0.317 nan 8.210 nan 0.000 0.408 334 P HA -0.133 nan 4.420 nan 0.000 0.220 334 P C 1.932 179.327 177.300 0.159 0.000 1.152 334 P CA 1.112 64.269 63.100 0.095 0.000 0.812 334 P CB -0.108 31.632 31.700 0.066 0.000 0.792 335 F N 0.381 120.373 119.950 0.070 0.000 2.128 335 F HA -0.072 4.455 4.527 0.001 0.000 0.295 335 F C 1.906 177.752 175.800 0.076 0.000 1.100 335 F CA 1.348 59.416 58.000 0.112 0.000 1.260 335 F CB -0.968 38.179 39.000 0.246 0.000 1.009 335 F HN -0.285 nan 8.300 nan 0.000 0.476 336 L N 0.004 121.259 121.223 0.053 0.000 2.093 336 L HA -0.163 4.178 4.340 0.001 0.000 0.208 336 L C 2.764 179.567 176.870 -0.111 0.000 1.085 336 L CA 1.335 56.115 54.840 -0.099 0.000 0.755 336 L CB -0.712 41.372 42.059 0.042 0.000 0.904 336 L HN 0.101 nan 8.230 nan 0.000 0.435 337 R N 0.575 121.053 120.500 -0.037 0.000 2.083 337 R HA -0.244 4.096 4.340 0.001 0.000 0.237 337 R C 2.232 178.489 176.300 -0.072 0.000 1.137 337 R CA 2.010 58.088 56.100 -0.037 0.000 0.951 337 R CB -0.246 30.053 30.300 -0.003 0.000 0.851 337 R HN 0.386 nan 8.270 nan 0.000 0.434 338 E N 0.409 120.558 120.200 -0.085 0.000 2.209 338 E HA -0.219 4.132 4.350 0.001 0.000 0.196 338 E C 1.111 177.612 176.600 -0.166 0.000 0.993 338 E CA 1.287 57.628 56.400 -0.098 0.000 0.819 338 E CB 0.134 29.798 29.700 -0.060 0.000 0.745 338 E HN 0.047 nan 8.360 nan 0.000 0.477 339 K N -1.032 119.203 120.400 -0.275 0.000 2.458 339 K HA 0.092 4.412 4.320 0.001 0.000 0.194 339 K C 0.628 177.132 176.600 -0.160 0.000 1.024 339 K CA 0.703 56.822 56.287 -0.280 0.000 1.108 339 K CB 0.529 32.759 32.500 -0.449 0.000 0.846 339 K HN 0.321 nan 8.250 nan 0.000 0.518 340 G N -0.784 107.946 108.800 -0.116 0.000 2.184 340 G HA2 -0.200 3.761 3.960 0.001 0.000 0.206 340 G HA3 -0.200 3.761 3.960 0.001 0.000 0.206 340 G C -0.230 174.635 174.900 -0.059 0.000 0.995 340 G CA -0.063 44.992 45.100 -0.075 0.000 0.651 340 G HN 0.077 nan 8.290 nan 0.000 0.511 341 V N 2.586 122.462 119.914 -0.063 0.000 2.530 341 V HA 0.455 4.575 4.120 0.001 0.000 0.282 341 V C -1.572 174.505 176.094 -0.028 0.000 1.048 341 V CA -1.359 60.918 62.300 -0.039 0.000 0.997 341 V CB 1.322 33.127 31.823 -0.030 0.000 0.987 341 V HN 0.146 nan 8.190 nan 0.000 0.477 342 P HA 0.170 nan 4.420 nan 0.000 0.276 342 P C 0.430 177.722 177.300 -0.013 0.000 1.230 342 P CA -0.195 62.894 63.100 -0.018 0.000 0.776 342 P CB 0.868 32.557 31.700 -0.018 0.000 0.888 343 Q N 2.940 122.734 119.800 -0.009 0.000 2.082 343 Q HA -0.286 4.055 4.340 0.001 0.000 0.211 343 Q C 1.897 177.891 176.000 -0.010 0.000 1.002 343 Q CA 2.141 57.942 55.803 -0.003 0.000 0.868 343 Q CB -0.559 28.181 28.738 0.003 0.000 0.931 343 Q HN 0.535 nan 8.270 nan 0.000 0.414 344 E N -1.377 118.816 120.200 -0.011 0.000 2.086 344 E HA -0.234 4.117 4.350 0.001 0.000 0.200 344 E C 1.773 178.359 176.600 -0.023 0.000 1.012 344 E CA 1.802 58.192 56.400 -0.016 0.000 0.812 344 E CB -0.101 29.591 29.700 -0.014 0.000 0.743 344 E HN 0.473 nan 8.360 nan 0.000 0.453 345 T N 1.422 115.964 114.554 -0.021 0.000 2.788 345 T HA -0.125 4.226 4.350 0.001 0.000 0.268 345 T C 1.875 176.557 174.700 -0.030 0.000 1.044 345 T CA 0.892 62.978 62.100 -0.024 0.000 1.139 345 T CB -0.130 68.727 68.868 -0.019 0.000 0.867 345 T HN 0.169 nan 8.240 nan 0.000 0.454 346 L N 0.632 121.839 121.223 -0.027 0.000 2.083 346 L HA -0.098 4.242 4.340 0.001 0.000 0.209 346 L C 2.996 179.819 176.870 -0.078 0.000 1.083 346 L CA 1.275 56.094 54.840 -0.035 0.000 0.752 346 L CB -0.687 41.366 42.059 -0.009 0.000 0.899 346 L HN 0.265 nan 8.230 nan 0.000 0.433 347 A N 0.101 122.881 122.820 -0.067 0.000 1.968 347 A HA -0.046 4.275 4.320 0.001 0.000 0.217 347 A C 2.367 179.891 177.584 -0.100 0.000 1.169 347 A CA 1.424 53.405 52.037 -0.092 0.000 0.638 347 A CB -0.873 18.099 19.000 -0.048 0.000 0.812 347 A HN 0.435 nan 8.150 nan 0.000 0.446 348 G N 0.072 108.830 108.800 -0.070 0.000 2.394 348 G HA2 -0.131 3.829 3.960 0.001 0.000 0.215 348 G HA3 -0.131 3.829 3.960 0.001 0.000 0.215 348 G C 1.492 176.346 174.900 -0.077 0.000 1.165 348 G CA 1.025 46.089 45.100 -0.060 0.000 0.784 348 G HN 0.455 nan 8.290 nan 0.000 0.535 349 I N 1.522 122.042 120.570 -0.082 0.000 2.286 349 I HA -0.148 4.022 4.170 0.001 0.000 0.248 349 I C 3.008 179.040 176.117 -0.141 0.000 1.115 349 I CA 1.751 63.000 61.300 -0.085 0.000 1.392 349 I CB -0.139 37.826 38.000 -0.058 0.000 1.065 349 I HN 0.339 nan 8.210 nan 0.000 0.418 350 T N -3.371 111.031 114.554 -0.253 0.000 3.065 350 T HA 0.143 4.494 4.350 0.001 0.000 0.252 350 T C 1.377 175.835 174.700 -0.404 0.000 1.099 350 T CA 0.332 62.154 62.100 -0.464 0.000 1.063 350 T CB 0.263 68.524 68.868 -1.011 0.000 0.948 350 T HN 0.111 nan 8.240 nan 0.000 0.506 351 V N 0.690 120.460 119.914 -0.241 0.000 2.948 351 V HA 0.077 4.197 4.120 0.001 0.000 0.234 351 V C 2.741 178.800 176.094 -0.058 0.000 1.205 351 V CA 1.106 63.327 62.300 -0.131 0.000 1.234 351 V CB -0.069 31.693 31.823 -0.102 0.000 1.020 351 V HN 0.388 nan 8.190 nan 0.000 0.491 352 T N 0.808 115.328 114.554 -0.055 0.000 2.809 352 T HA -0.095 4.255 4.350 0.001 0.000 0.260 352 T C 1.786 176.481 174.700 -0.008 0.000 1.039 352 T CA 1.578 63.663 62.100 -0.025 0.000 1.141 352 T CB -0.262 68.591 68.868 -0.024 0.000 0.869 352 T HN 0.304 nan 8.240 nan 0.000 0.437 353 N N 1.441 120.130 118.700 -0.018 0.000 2.084 353 N HA -0.034 4.706 4.740 0.001 0.000 0.190 353 N C -1.023 174.515 175.510 0.047 0.000 1.030 353 N CA 1.092 54.142 53.050 -0.001 0.000 0.849 353 N CB -1.415 37.053 38.487 -0.032 0.000 1.012 353 N HN 0.314 nan 8.380 nan 0.000 0.423 354 P HA -0.031 nan 4.420 nan 0.000 0.216 354 P C 1.100 178.470 177.300 0.117 0.000 1.153 354 P CA 1.522 64.689 63.100 0.111 0.000 0.848 354 P CB -0.123 31.621 31.700 0.074 0.000 0.787 355 A N -0.157 122.698 122.820 0.058 0.000 1.908 355 A HA -0.243 4.077 4.320 0.001 0.000 0.218 355 A C 2.422 180.031 177.584 0.042 0.000 1.181 355 A CA 1.731 53.792 52.037 0.039 0.000 0.627 355 A CB -1.200 17.811 19.000 0.019 0.000 0.818 355 A HN 0.023 nan 8.150 nan 0.000 0.445 356 R N -2.059 118.476 120.500 0.058 0.000 2.062 356 R HA -0.112 4.229 4.340 0.001 0.000 0.231 356 R C 2.009 178.372 176.300 0.105 0.000 1.136 356 R CA 1.657 57.792 56.100 0.059 0.000 0.948 356 R CB -0.467 29.868 30.300 0.058 0.000 0.845 356 R HN 0.533 nan 8.270 nan 0.000 0.430 357 F N 1.495 121.426 119.950 -0.031 0.000 2.065 357 F HA -0.211 4.316 4.527 0.001 0.000 0.298 357 F C 1.819 177.597 175.800 -0.038 0.000 1.112 357 F CA 1.612 59.591 58.000 -0.035 0.000 1.212 357 F CB -0.543 38.439 39.000 -0.029 0.000 0.975 357 F HN -0.024 nan 8.300 nan 0.000 0.476 358 L N -0.362 120.820 121.223 -0.069 0.000 2.191 358 L HA -0.153 4.188 4.340 0.001 0.000 0.212 358 L C 1.124 177.890 176.870 -0.173 0.000 1.103 358 L CA 0.554 55.271 54.840 -0.206 0.000 0.769 358 L CB -0.936 41.071 42.059 -0.086 0.000 0.908 358 L HN -0.060 nan 8.230 nan 0.000 0.438 359 S N 0.756 116.395 115.700 -0.101 0.000 2.515 359 S HA 0.118 4.589 4.470 0.001 0.000 0.285 359 S C -2.106 172.429 174.600 -0.108 0.000 1.265 359 S CA -1.002 57.147 58.200 -0.085 0.000 1.079 359 S CB 0.326 63.496 63.200 -0.049 0.000 0.877 359 S HN -0.017 nan 8.310 nan 0.000 0.493 360 P HA 0.071 nan 4.420 nan 0.000 0.258 360 P C -0.680 176.573 177.300 -0.078 0.000 1.187 360 P CA 0.256 63.294 63.100 -0.103 0.000 0.767 360 P CB 0.169 31.818 31.700 -0.085 0.000 0.770 361 T N 4.954 119.459 114.554 -0.080 0.000 2.847 361 T HA 0.360 4.710 4.350 0.001 0.000 0.291 361 T C -0.090 174.581 174.700 -0.049 0.000 0.998 361 T CA -0.441 61.624 62.100 -0.058 0.000 0.967 361 T CB 0.429 69.267 68.868 -0.051 0.000 0.954 361 T HN 0.025 nan 8.240 nan 0.000 0.441 362 L N 3.009 124.209 121.223 -0.038 0.000 2.418 362 L HA 0.501 4.841 4.340 0.001 0.000 0.265 362 L C 0.921 177.776 176.870 -0.025 0.000 1.143 362 L CA -0.347 54.475 54.840 -0.030 0.000 0.809 362 L CB 0.620 42.664 42.059 -0.024 0.000 1.124 362 L HN 0.520 nan 8.230 nan 0.000 0.456 363 R N 1.536 122.024 120.500 -0.020 0.000 2.707 363 R HA 0.532 4.873 4.340 0.001 0.000 0.270 363 R C -0.133 176.160 176.300 -0.012 0.000 1.083 363 R CA -0.147 55.944 56.100 -0.016 0.000 1.182 363 R CB 0.650 30.943 30.300 -0.011 0.000 1.084 363 R HN 0.781 nan 8.270 nan 0.000 0.528 364 A N 0.000 122.813 122.820 -0.011 0.000 2.254 364 A HA 0.000 4.321 4.320 0.001 0.000 0.244 364 A CA 0.000 52.032 52.037 -0.009 0.000 0.836 364 A CB 0.000 18.995 19.000 -0.008 0.000 0.831 364 A HN 0.000 nan 8.150 nan 0.000 0.486