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 3cnp_1_A DATA FIRST_RESID 5 DATA SEQUENCE SPAKKKVIII GAGIAGLKAA STLHQNGIQD CLVLEARDRV GGRLQTVTGY DATA SEQUENCE QGRKYDIGAS WHHDTLTNPL FLEEAQLSLN DGRTRFVFDD DNFIYIDEER DATA SEQUENCE GRVDHDKELL LEIVDNEMSK FAELEFHQHL GVSDCSFFQL VMKYLLQRRQ DATA SEQUENCE FLTNDQIRYL PQLCRYLELW HGLDWKLLSA KDTYFGHQGR NAFALNYDSV DATA SEQUENCE VQRIAQSFPQ NWLKLScEVK SITREPSKNV TVNcEDGTVY NADYVIITVP DATA SEQUENCE QSVLNLSVQP EKNLRGRIEF QPPLKPVIQD AFDKIHFGAL GKVIFEFEEC DATA SEQUENCE CWSNESSKIV TLANSTNEFV EIVRNAENLD ELDSMLERXX XXXXTSVTCW DATA SEQUENCE SQPLFFVNLS KSTGVASFMM LMQAPLTNHI ESIREDKERL FSFFQPVLNK DATA SEQUENCE IMKCLDSEDV IDGMRXXXXX XXANKPVLRN IIVSNWTRDP YSRGAYSACF DATA SEQUENCE PGDDPVDMVV AMSNGQDSRI RFAGEHTIMD GAGCAYGAWE SGRREATRIS DATA SEQUENCE DLLKLE 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 5 S HA 0.000 nan 4.470 nan 0.000 0.327 5 S C 0.000 174.564 174.600 -0.060 0.000 1.055 5 S CA 0.000 58.173 58.200 -0.046 0.000 1.107 5 S CB 0.000 63.168 63.200 -0.054 0.000 0.593 6 P HA 0.467 nan 4.420 nan 0.000 0.263 6 P C -0.492 176.799 177.300 -0.015 0.000 1.247 6 P CA 0.459 63.518 63.100 -0.067 0.000 0.876 6 P CB 0.100 31.770 31.700 -0.050 0.000 0.928 7 A N 4.934 127.755 122.820 0.002 0.000 2.567 7 A HA 0.057 4.378 4.320 0.001 0.000 0.240 7 A C 0.682 178.326 177.584 0.101 0.000 1.053 7 A CA 0.092 52.172 52.037 0.071 0.000 0.755 7 A CB 0.041 19.119 19.000 0.131 0.000 0.978 7 A HN 0.404 nan 8.150 nan 0.000 0.507 8 K N 2.054 122.484 120.400 0.050 0.000 2.218 8 K HA 0.365 4.686 4.320 0.001 0.000 0.276 8 K C -0.298 176.302 176.600 -0.000 0.000 1.022 8 K CA -0.030 56.272 56.287 0.024 0.000 0.946 8 K CB 0.936 33.441 32.500 0.008 0.000 1.000 8 K HN 0.645 nan 8.250 nan 0.000 0.468 9 K N 2.444 122.823 120.400 -0.034 0.000 2.502 9 K HA 0.265 4.586 4.320 0.001 0.000 0.257 9 K C 0.642 177.189 176.600 -0.089 0.000 0.938 9 K CA -0.805 55.421 56.287 -0.101 0.000 0.819 9 K CB 1.814 34.202 32.500 -0.186 0.000 1.333 9 K HN 0.213 nan 8.250 nan 0.000 0.434 10 K N 0.313 120.649 120.400 -0.106 0.000 2.031 10 K HA 0.065 4.385 4.320 0.001 0.000 0.205 10 K C 0.576 177.150 176.600 -0.042 0.000 1.049 10 K CA 1.059 57.316 56.287 -0.050 0.000 0.939 10 K CB 0.258 32.725 32.500 -0.054 0.000 0.717 10 K HN 0.322 nan 8.250 nan 0.000 0.438 11 V N 1.682 121.498 119.914 -0.163 0.000 2.733 11 V HA 0.370 4.490 4.120 0.001 0.000 0.306 11 V C -0.590 175.347 176.094 -0.263 0.000 1.084 11 V CA -0.685 61.520 62.300 -0.159 0.000 0.905 11 V CB 2.329 34.044 31.823 -0.181 0.000 1.010 11 V HN 0.037 nan 8.190 nan 0.000 0.424 12 I N 5.362 125.813 120.570 -0.199 0.000 2.382 12 I HA 0.483 4.654 4.170 0.001 0.000 0.285 12 I C -0.648 175.360 176.117 -0.182 0.000 1.007 12 I CA -0.355 60.802 61.300 -0.239 0.000 1.142 12 I CB 1.664 39.529 38.000 -0.225 0.000 1.289 12 I HN 0.470 nan 8.210 nan 0.000 0.453 13 I N 7.088 127.540 120.570 -0.196 0.000 2.331 13 I HA 0.281 4.452 4.170 0.001 0.000 0.292 13 I C -0.419 175.637 176.117 -0.102 0.000 0.998 13 I CA -0.619 60.599 61.300 -0.137 0.000 1.267 13 I CB 1.353 39.267 38.000 -0.145 0.000 1.386 13 I HN 0.350 nan 8.210 nan 0.000 0.476 14 I N 5.818 126.352 120.570 -0.060 0.000 2.307 14 I HA 0.599 4.770 4.170 0.001 0.000 0.289 14 I C 0.488 176.607 176.117 0.004 0.000 1.021 14 I CA -0.035 61.245 61.300 -0.032 0.000 1.224 14 I CB 0.980 38.971 38.000 -0.014 0.000 1.376 14 I HN 0.751 nan 8.210 nan 0.000 0.470 15 G N 4.534 113.334 108.800 -0.001 0.000 3.233 15 G HA2 0.254 4.215 3.960 0.001 0.000 0.686 15 G HA3 0.254 4.215 3.960 0.001 0.000 0.686 15 G C -0.301 174.620 174.900 0.035 0.000 1.153 15 G CA -0.471 44.643 45.100 0.024 0.000 0.853 15 G HN 0.939 nan 8.290 nan 0.000 0.582 16 A N 1.700 124.549 122.820 0.048 0.000 2.842 16 A HA 0.766 5.086 4.320 0.001 0.000 0.298 16 A C 1.408 179.048 177.584 0.093 0.000 1.293 16 A CA 1.115 53.200 52.037 0.081 0.000 0.959 16 A CB -0.243 18.814 19.000 0.095 0.000 1.119 16 A HN 2.107 nan 8.150 nan 0.000 0.564 17 G N -0.768 108.081 108.800 0.081 0.000 2.535 17 G HA2 0.353 4.314 3.960 0.001 0.000 0.282 17 G HA3 0.353 4.314 3.960 0.001 0.000 0.282 17 G C 0.995 175.950 174.900 0.093 0.000 1.350 17 G CA -0.139 45.007 45.100 0.075 0.000 1.039 17 G HN 0.363 nan 8.290 nan 0.000 0.509 18 I N -0.111 120.511 120.570 0.087 0.000 2.335 18 I HA -0.158 4.013 4.170 0.001 0.000 0.251 18 I C 2.801 179.008 176.117 0.150 0.000 1.129 18 I CA 1.966 63.354 61.300 0.147 0.000 1.402 18 I CB -0.002 38.089 38.000 0.152 0.000 1.069 18 I HN 0.457 nan 8.210 nan 0.000 0.424 19 A N 0.417 123.297 122.820 0.100 0.000 1.845 19 A HA -0.105 4.216 4.320 0.001 0.000 0.215 19 A C 2.404 180.001 177.584 0.022 0.000 1.195 19 A CA 1.668 53.739 52.037 0.056 0.000 0.616 19 A CB -1.724 17.305 19.000 0.047 0.000 0.832 19 A HN 0.482 nan 8.150 nan 0.000 0.443 20 G N -0.352 108.468 108.800 0.033 0.000 2.442 20 G HA2 -0.171 3.789 3.960 0.001 0.000 0.219 20 G HA3 -0.171 3.789 3.960 0.001 0.000 0.219 20 G C 1.571 176.471 174.900 -0.000 0.000 1.141 20 G CA 1.060 46.161 45.100 0.002 0.000 0.763 20 G HN 0.412 nan 8.290 nan 0.000 0.554 21 L N -0.127 121.148 121.223 0.086 0.000 2.017 21 L HA -0.054 4.287 4.340 0.001 0.000 0.208 21 L C 2.796 179.754 176.870 0.146 0.000 1.073 21 L CA 1.557 56.511 54.840 0.191 0.000 0.745 21 L CB -0.268 41.949 42.059 0.264 0.000 0.894 21 L HN 0.196 nan 8.230 nan 0.000 0.432 22 K N 0.569 121.014 120.400 0.073 0.000 2.097 22 K HA -0.082 4.239 4.320 0.001 0.000 0.205 22 K C 1.961 178.487 176.600 -0.123 0.000 1.050 22 K CA 1.424 57.680 56.287 -0.051 0.000 0.938 22 K CB -0.282 32.037 32.500 -0.301 0.000 0.718 22 K HN 0.212 nan 8.250 nan 0.000 0.442 23 A N 0.763 123.511 122.820 -0.120 0.000 1.865 23 A HA -0.077 4.244 4.320 0.001 0.000 0.217 23 A C 2.426 179.929 177.584 -0.134 0.000 1.191 23 A CA 2.204 54.161 52.037 -0.133 0.000 0.623 23 A CB -1.256 17.674 19.000 -0.117 0.000 0.826 23 A HN 0.420 nan 8.150 nan 0.000 0.444 24 A N -0.851 121.840 122.820 -0.215 0.000 1.908 24 A HA -0.146 4.175 4.320 0.001 0.000 0.218 24 A C 2.496 179.977 177.584 -0.172 0.000 1.181 24 A CA 2.352 54.186 52.037 -0.339 0.000 0.627 24 A CB -1.098 17.277 19.000 -1.041 0.000 0.818 24 A HN 0.597 nan 8.150 nan 0.000 0.445 25 S N -1.048 114.618 115.700 -0.057 0.000 2.353 25 S HA -0.175 4.296 4.470 0.001 0.000 0.222 25 S C 2.095 176.763 174.600 0.113 0.000 1.035 25 S CA 2.365 60.687 58.200 0.202 0.000 1.025 25 S CB -0.668 62.675 63.200 0.238 0.000 0.902 25 S HN 0.628 nan 8.310 nan 0.000 0.440 26 T N 2.669 117.228 114.554 0.008 0.000 2.788 26 T HA 0.017 4.367 4.350 0.001 0.000 0.268 26 T C 1.748 176.453 174.700 0.008 0.000 1.044 26 T CA 1.381 63.465 62.100 -0.028 0.000 1.139 26 T CB -0.377 68.426 68.868 -0.108 0.000 0.867 26 T HN 0.304 nan 8.240 nan 0.000 0.454 27 L N 0.079 121.325 121.223 0.038 0.000 2.017 27 L HA -0.143 4.198 4.340 0.001 0.000 0.208 27 L C 2.602 179.591 176.870 0.198 0.000 1.073 27 L CA 1.655 56.549 54.840 0.090 0.000 0.745 27 L CB -0.536 41.579 42.059 0.092 0.000 0.894 27 L HN 0.330 nan 8.230 nan 0.000 0.432 28 H N -0.058 119.100 119.070 0.147 0.000 2.389 28 H HA -0.222 4.334 4.556 0.001 0.000 0.299 28 H C 2.250 177.592 175.328 0.024 0.000 1.081 28 H CA 1.949 58.032 56.048 0.058 0.000 1.345 28 H CB 0.016 29.706 29.762 -0.120 0.000 1.393 28 H HN 0.303 nan 8.280 nan 0.000 0.520 29 Q N -0.157 119.608 119.800 -0.057 0.000 2.226 29 Q HA -0.119 4.221 4.340 0.001 0.000 0.204 29 Q C 0.594 176.530 176.000 -0.106 0.000 0.975 29 Q CA 1.481 57.209 55.803 -0.125 0.000 0.866 29 Q CB 0.121 28.842 28.738 -0.029 0.000 0.915 29 Q HN 0.459 nan 8.270 nan 0.000 0.440 30 N N -0.580 118.088 118.700 -0.054 0.000 2.276 30 N HA 0.119 4.859 4.740 0.001 0.000 0.212 30 N C 0.311 175.803 175.510 -0.029 0.000 1.127 30 N CA 0.846 53.871 53.050 -0.041 0.000 0.834 30 N CB 1.022 39.491 38.487 -0.031 0.000 1.014 30 N HN 0.419 nan 8.380 nan 0.000 0.491 31 G N 0.538 109.311 108.800 -0.044 0.000 2.148 31 G HA2 -0.243 3.718 3.960 0.001 0.000 0.254 31 G HA3 -0.243 3.718 3.960 0.001 0.000 0.254 31 G C -0.049 174.896 174.900 0.075 0.000 0.981 31 G CA -0.280 44.817 45.100 -0.006 0.000 0.670 31 G HN 0.222 nan 8.290 nan 0.000 0.528 32 I N 0.644 121.289 120.570 0.125 0.000 2.474 32 I HA 0.387 4.558 4.170 0.001 0.000 0.287 32 I C 0.723 177.035 176.117 0.324 0.000 1.048 32 I CA -0.016 61.378 61.300 0.156 0.000 1.383 32 I CB 0.951 39.007 38.000 0.094 0.000 1.412 32 I HN 0.280 nan 8.210 nan 0.000 0.531 33 Q N 3.198 123.145 119.800 0.246 0.000 2.418 33 Q HA 0.321 4.662 4.340 0.001 0.000 0.276 33 Q C -0.932 175.152 176.000 0.140 0.000 1.081 33 Q CA -0.823 55.196 55.803 0.359 0.000 0.864 33 Q CB 1.683 30.576 28.738 0.258 0.000 1.384 33 Q HN 0.515 nan 8.270 nan 0.000 0.467 34 D N 0.079 120.570 120.400 0.152 0.000 2.746 34 D HA -0.153 4.488 4.640 0.001 0.000 0.241 34 D C -1.149 174.887 176.300 -0.440 0.000 1.140 34 D CA 0.553 54.493 54.000 -0.100 0.000 0.707 34 D CB -1.448 39.332 40.800 -0.032 0.000 1.034 34 D HN 0.363 nan 8.370 nan 0.000 0.423 35 C N 0.342 118.981 119.300 -1.103 0.000 2.595 35 C HA 0.800 5.260 4.460 0.001 0.000 0.338 35 C C 0.091 174.341 174.990 -1.232 0.000 1.219 35 C CA -0.753 57.507 59.018 -1.263 0.000 1.811 35 C CB 1.781 28.505 27.740 -1.693 0.000 2.313 35 C HN 0.401 nan 8.230 nan 0.000 0.499 36 L N 1.413 122.183 121.223 -0.755 0.000 2.422 36 L HA 0.697 5.037 4.340 0.001 0.000 0.264 36 L C -0.788 175.879 176.870 -0.338 0.000 0.984 36 L CA -0.170 54.367 54.840 -0.505 0.000 0.819 36 L CB 2.105 43.840 42.059 -0.539 0.000 1.330 36 L HN 0.471 nan 8.230 nan 0.000 0.410 37 V N 4.779 124.590 119.914 -0.172 0.000 2.349 37 V HA 0.452 4.573 4.120 0.001 0.000 0.284 37 V C -0.305 175.753 176.094 -0.060 0.000 1.014 37 V CA -0.557 61.688 62.300 -0.091 0.000 0.826 37 V CB 1.431 33.267 31.823 0.023 0.000 1.009 37 V HN 0.462 nan 8.190 nan 0.000 0.431 38 L N 4.231 125.402 121.223 -0.086 0.000 2.257 38 L HA 0.663 5.004 4.340 0.001 0.000 0.290 38 L C -0.125 176.718 176.870 -0.044 0.000 1.044 38 L CA -0.325 54.477 54.840 -0.063 0.000 0.810 38 L CB 1.398 43.413 42.059 -0.075 0.000 1.193 38 L HN 0.578 nan 8.230 nan 0.000 0.425 39 E N 2.235 122.412 120.200 -0.038 0.000 2.199 39 E HA 0.500 4.851 4.350 0.001 0.000 0.265 39 E C 0.224 176.748 176.600 -0.126 0.000 0.882 39 E CA -0.337 56.027 56.400 -0.059 0.000 0.759 39 E CB 2.080 31.771 29.700 -0.014 0.000 1.148 39 E HN 0.556 nan 8.360 nan 0.000 0.412 40 A N 5.396 128.063 122.820 -0.255 0.000 1.898 40 A HA -0.009 4.312 4.320 0.001 0.000 0.216 40 A C 1.140 178.487 177.584 -0.395 0.000 1.181 40 A CA 0.921 52.671 52.037 -0.477 0.000 0.620 40 A CB -0.189 18.128 19.000 -1.137 0.000 0.819 40 A HN 0.596 nan 8.150 nan 0.000 0.442 41 R N 0.048 120.383 120.500 -0.275 0.000 2.652 41 R HA 0.181 4.521 4.340 0.001 0.000 0.271 41 R C 0.131 176.411 176.300 -0.035 0.000 1.129 41 R CA 0.262 56.310 56.100 -0.087 0.000 1.200 41 R CB 0.124 30.434 30.300 0.018 0.000 1.146 41 R HN 0.501 nan 8.270 nan 0.000 0.581 42 D N 0.388 120.791 120.400 0.005 0.000 2.325 42 D HA -0.023 4.618 4.640 0.001 0.000 0.234 42 D C -0.050 176.261 176.300 0.018 0.000 1.122 42 D CA 0.068 54.073 54.000 0.009 0.000 0.850 42 D CB -0.020 40.789 40.800 0.014 0.000 0.921 42 D HN 0.434 nan 8.370 nan 0.000 0.513 43 R N -1.344 119.171 120.500 0.026 0.000 2.734 43 R HA 0.593 4.934 4.340 0.001 0.000 0.271 43 R C -0.712 175.618 176.300 0.049 0.000 1.021 43 R CA -1.102 55.020 56.100 0.037 0.000 0.893 43 R CB 1.147 31.474 30.300 0.045 0.000 1.244 43 R HN -0.097 nan 8.270 nan 0.000 0.464 44 V N -1.824 118.125 119.914 0.058 0.000 3.234 44 V HA 0.869 4.990 4.120 0.001 0.000 0.317 44 V C 0.915 177.059 176.094 0.083 0.000 1.081 44 V CA 0.424 62.769 62.300 0.075 0.000 1.037 44 V CB 0.760 32.635 31.823 0.086 0.000 1.148 44 V HN 1.201 nan 8.190 nan 0.000 0.453 45 G N -0.774 108.080 108.800 0.089 0.000 2.349 45 G HA2 0.124 4.084 3.960 0.001 0.000 0.213 45 G HA3 0.124 4.084 3.960 0.001 0.000 0.213 45 G C 1.697 176.641 174.900 0.072 0.000 1.044 45 G CA 0.784 45.932 45.100 0.080 0.000 0.633 45 G HN 2.694 nan 8.290 nan 0.000 0.506 46 G N 0.602 109.466 108.800 0.107 0.000 2.629 46 G HA2 -0.392 3.569 3.960 0.001 0.000 0.313 46 G HA3 -0.392 3.569 3.960 0.001 0.000 0.313 46 G C 0.851 175.806 174.900 0.092 0.000 1.217 46 G CA 1.382 46.553 45.100 0.118 0.000 0.994 46 G HN 1.220 nan 8.290 nan 0.000 0.549 47 R N 0.162 120.588 120.500 -0.122 0.000 2.369 47 R HA 0.200 4.540 4.340 0.001 0.000 0.200 47 R C 0.388 176.497 176.300 -0.318 0.000 1.046 47 R CA 0.254 56.055 56.100 -0.497 0.000 1.057 47 R CB -0.372 29.611 30.300 -0.527 0.000 0.888 47 R HN 0.324 nan 8.270 nan 0.000 0.474 48 L N 1.320 122.478 121.223 -0.108 0.000 2.318 48 L HA 0.342 4.682 4.340 0.001 0.000 0.277 48 L C -0.608 176.307 176.870 0.077 0.000 1.008 48 L CA -0.369 54.407 54.840 -0.107 0.000 0.846 48 L CB 1.507 43.451 42.059 -0.192 0.000 1.220 48 L HN 0.062 nan 8.230 nan 0.000 0.423 49 Q N 2.478 122.378 119.800 0.166 0.000 2.268 49 Q HA 0.400 4.740 4.340 0.001 0.000 0.266 49 Q C -1.494 174.587 176.000 0.135 0.000 1.006 49 Q CA -0.500 55.411 55.803 0.180 0.000 0.824 49 Q CB 2.589 31.487 28.738 0.266 0.000 1.306 49 Q HN 0.503 nan 8.270 nan 0.000 0.424 50 T N 3.484 118.091 114.554 0.089 0.000 2.743 50 T HA 0.464 4.814 4.350 0.001 0.000 0.292 50 T C 0.050 174.784 174.700 0.056 0.000 0.972 50 T CA -0.478 61.663 62.100 0.069 0.000 0.967 50 T CB 0.849 69.741 68.868 0.040 0.000 0.926 50 T HN 0.487 nan 8.240 nan 0.000 0.459 51 V N 1.551 121.509 119.914 0.074 0.000 2.966 51 V HA 0.828 4.949 4.120 0.001 0.000 0.317 51 V C 0.002 176.143 176.094 0.077 0.000 1.070 51 V CA -0.747 61.589 62.300 0.061 0.000 1.008 51 V CB 1.620 33.471 31.823 0.046 0.000 1.070 51 V HN 0.753 nan 8.190 nan 0.000 0.457 52 T N 1.829 116.417 114.554 0.058 0.000 2.859 52 T HA 0.810 5.161 4.350 0.001 0.000 0.281 52 T C 0.299 175.065 174.700 0.109 0.000 1.005 52 T CA 0.305 62.435 62.100 0.051 0.000 1.025 52 T CB 1.391 70.264 68.868 0.009 0.000 0.977 52 T HN 1.326 nan 8.240 nan 0.000 0.458 53 G N 0.159 109.055 108.800 0.160 0.000 3.247 53 G HA2 0.451 4.412 3.960 0.001 0.000 0.226 53 G HA3 0.451 4.412 3.960 0.001 0.000 0.226 53 G C -1.105 173.909 174.900 0.189 0.000 1.220 53 G CA -0.794 44.441 45.100 0.224 0.000 0.875 53 G HN 0.608 nan 8.290 nan 0.000 0.606 54 Y N 1.788 122.152 120.300 0.106 0.000 2.852 54 Y HA 0.040 4.590 4.550 0.001 0.000 0.343 54 Y C 1.374 177.306 175.900 0.053 0.000 1.280 54 Y CA 1.696 59.835 58.100 0.064 0.000 1.604 54 Y CB -0.300 38.197 38.460 0.063 0.000 1.216 54 Y HN 0.693 nan 8.280 nan 0.000 0.541 55 Q N 3.383 122.922 119.800 -0.435 0.000 2.489 55 Q HA -0.259 4.082 4.340 0.001 0.000 0.259 55 Q C 1.010 176.910 176.000 -0.167 0.000 0.934 55 Q CA 0.840 56.419 55.803 -0.373 0.000 1.131 55 Q CB -1.954 26.488 28.738 -0.494 0.000 1.472 55 Q HN 1.400 nan 8.270 nan 0.000 0.560 56 G N 0.048 108.788 108.800 -0.099 0.000 2.143 56 G HA2 -0.345 3.615 3.960 0.001 0.000 0.249 56 G HA3 -0.345 3.615 3.960 0.001 0.000 0.249 56 G C 0.048 174.892 174.900 -0.094 0.000 0.981 56 G CA 0.255 45.308 45.100 -0.077 0.000 0.665 56 G HN 0.306 nan 8.290 nan 0.000 0.528 57 R N 0.592 121.038 120.500 -0.090 0.000 2.537 57 R HA 0.420 4.761 4.340 0.001 0.000 0.280 57 R C 0.369 176.415 176.300 -0.424 0.000 1.058 57 R CA 0.235 56.206 56.100 -0.215 0.000 1.057 57 R CB 0.588 30.829 30.300 -0.098 0.000 0.973 57 R HN 0.185 nan 8.270 nan 0.000 0.438 58 K N 2.971 123.046 120.400 -0.542 0.000 2.156 58 K HA 0.374 4.695 4.320 0.001 0.000 0.254 58 K C -1.057 175.120 176.600 -0.704 0.000 0.950 58 K CA -0.603 55.411 56.287 -0.455 0.000 0.849 58 K CB 1.651 34.031 32.500 -0.200 0.000 1.100 58 K HN 0.435 nan 8.250 nan 0.000 0.434 59 Y N -0.201 120.119 120.300 0.034 0.000 2.513 59 Y HA 0.150 4.701 4.550 0.001 0.000 0.340 59 Y C -0.462 175.446 175.900 0.014 0.000 1.055 59 Y CA -1.185 56.939 58.100 0.039 0.000 1.020 59 Y CB 1.703 40.188 38.460 0.043 0.000 1.301 59 Y HN 0.441 nan 8.280 nan 0.000 0.453 60 D N 2.418 122.901 120.400 0.139 0.000 2.316 60 D HA 0.138 4.779 4.640 0.001 0.000 0.245 60 D C 0.359 176.731 176.300 0.118 0.000 1.171 60 D CA 0.238 54.283 54.000 0.075 0.000 0.856 60 D CB 1.749 42.526 40.800 -0.038 0.000 1.090 60 D HN 0.547 nan 8.370 nan 0.000 0.476 61 I N 2.423 123.092 120.570 0.164 0.000 3.578 61 I HA 0.119 4.290 4.170 0.001 0.000 0.295 61 I C 1.306 177.689 176.117 0.444 0.000 1.280 61 I CA 0.374 61.792 61.300 0.196 0.000 1.347 61 I CB 0.269 38.308 38.000 0.066 0.000 1.051 61 I HN 0.398 nan 8.210 nan 0.000 0.460 62 G N -0.489 108.553 108.800 0.403 0.000 3.392 62 G HA2 0.570 4.531 3.960 0.001 0.000 0.188 62 G HA3 0.570 4.531 3.960 0.001 0.000 0.188 62 G C -0.150 174.764 174.900 0.023 0.000 1.485 62 G CA 0.105 45.361 45.100 0.261 0.000 0.943 62 G HN 0.335 nan 8.290 nan 0.000 0.627 63 A N -0.662 122.062 122.820 -0.160 0.000 2.462 63 A HA 0.539 4.859 4.320 0.001 0.000 0.243 63 A C 0.945 178.481 177.584 -0.080 0.000 1.076 63 A CA 0.752 52.675 52.037 -0.189 0.000 0.773 63 A CB 0.723 19.431 19.000 -0.487 0.000 1.010 63 A HN 0.494 nan 8.150 nan 0.000 0.493 64 S N 0.486 116.158 115.700 -0.047 0.000 2.670 64 S HA 0.179 4.650 4.470 0.001 0.000 0.241 64 S C 0.056 174.315 174.600 -0.569 0.000 1.077 64 S CA -0.230 57.705 58.200 -0.442 0.000 0.899 64 S CB 0.149 62.764 63.200 -0.975 0.000 0.835 64 S HN 0.760 nan 8.310 nan 0.000 0.481 65 W N 1.993 123.232 121.300 -0.102 0.000 2.647 65 W HA 0.474 5.135 4.660 0.001 0.000 0.353 65 W C -0.374 175.871 176.519 -0.456 0.000 1.080 65 W CA -0.597 56.577 57.345 -0.285 0.000 1.208 65 W CB 0.340 29.680 29.460 -0.200 0.000 1.396 65 W HN 0.112 nan 8.180 nan 0.000 0.573 66 H N 2.125 121.135 119.070 -0.100 0.000 2.640 66 H HA 0.195 4.752 4.556 0.001 0.000 0.297 66 H C 0.213 175.434 175.328 -0.177 0.000 1.073 66 H CA 0.052 56.014 56.048 -0.143 0.000 1.305 66 H CB 0.557 30.165 29.762 -0.256 0.000 1.404 66 H HN 0.176 nan 8.280 nan 0.000 0.459 67 H N 1.955 121.174 119.070 0.248 0.000 2.495 67 H HA 0.024 4.580 4.556 0.001 0.000 0.350 67 H C 0.389 175.762 175.328 0.075 0.000 1.202 67 H CA -0.365 55.810 56.048 0.213 0.000 1.322 67 H CB 0.874 30.862 29.762 0.377 0.000 1.544 67 H HN 0.642 nan 8.280 nan 0.000 0.565 68 D N 0.441 120.963 120.400 0.202 0.000 2.689 68 D HA -0.154 4.486 4.640 0.001 0.000 0.237 68 D C 1.014 177.243 176.300 -0.119 0.000 1.148 68 D CA 1.121 55.153 54.000 0.053 0.000 0.656 68 D CB -1.810 39.045 40.800 0.091 0.000 1.050 68 D HN 0.774 nan 8.370 nan 0.000 0.426 69 T N -3.107 111.319 114.554 -0.213 0.000 3.139 69 T HA -0.063 4.287 4.350 0.001 0.000 0.267 69 T C 1.908 176.561 174.700 -0.078 0.000 1.164 69 T CA 0.381 62.231 62.100 -0.417 0.000 1.075 69 T CB 0.036 68.380 68.868 -0.873 0.000 0.904 69 T HN 0.430 nan 8.240 nan 0.000 0.540 70 L N 1.058 122.267 121.223 -0.024 0.000 2.307 70 L HA 0.122 4.462 4.340 0.001 0.000 0.211 70 L C 2.747 179.632 176.870 0.025 0.000 1.099 70 L CA 1.363 56.220 54.840 0.028 0.000 0.816 70 L CB -0.029 42.045 42.059 0.025 0.000 0.952 70 L HN 0.544 nan 8.230 nan 0.000 0.455 71 T N -6.245 108.299 114.554 -0.017 0.000 2.986 71 T HA 0.073 4.424 4.350 0.001 0.000 0.264 71 T C 0.844 175.469 174.700 -0.125 0.000 0.964 71 T CA -0.392 61.691 62.100 -0.028 0.000 0.895 71 T CB -0.204 68.666 68.868 0.003 0.000 1.163 71 T HN -0.057 nan 8.240 nan 0.000 0.517 72 N N 4.410 122.949 118.700 -0.269 0.000 2.394 72 N HA 0.055 4.796 4.740 0.001 0.000 0.277 72 N C -1.237 174.121 175.510 -0.254 0.000 1.346 72 N CA -1.287 51.435 53.050 -0.547 0.000 0.910 72 N CB 1.330 39.517 38.487 -0.499 0.000 1.201 72 N HN 0.214 nan 8.380 nan 0.000 0.488 73 P HA -0.171 nan 4.420 nan 0.000 0.218 73 P C 1.591 178.644 177.300 -0.412 0.000 1.149 73 P CA 0.514 63.536 63.100 -0.129 0.000 0.817 73 P CB 0.409 32.191 31.700 0.137 0.000 0.785 74 L N -0.719 120.103 121.223 -0.668 0.000 2.027 74 L HA -0.075 4.265 4.340 0.001 0.000 0.206 74 L C 2.497 179.115 176.870 -0.419 0.000 1.074 74 L CA 1.643 55.959 54.840 -0.875 0.000 0.745 74 L CB -1.781 39.817 42.059 -0.768 0.000 0.898 74 L HN -0.182 nan 8.230 nan 0.000 0.433 75 F N -0.125 119.568 119.950 -0.428 0.000 2.075 75 F HA -0.220 4.308 4.527 0.001 0.000 0.297 75 F C 2.093 177.651 175.800 -0.403 0.000 1.113 75 F CA 1.909 59.548 58.000 -0.602 0.000 1.218 75 F CB -0.523 38.128 39.000 -0.581 0.000 0.984 75 F HN 0.058 nan 8.300 nan 0.000 0.472 76 L N 0.237 121.197 121.223 -0.439 0.000 2.043 76 L HA -0.259 4.081 4.340 0.001 0.000 0.212 76 L C 2.545 179.205 176.870 -0.350 0.000 1.075 76 L CA 2.050 56.656 54.840 -0.389 0.000 0.752 76 L CB -0.974 41.015 42.059 -0.117 0.000 0.891 76 L HN 0.312 nan 8.230 nan 0.000 0.432 77 E N 0.059 120.093 120.200 -0.277 0.000 2.077 77 E HA -0.234 4.117 4.350 0.001 0.000 0.193 77 E C 2.099 178.586 176.600 -0.189 0.000 0.989 77 E CA 1.147 57.449 56.400 -0.165 0.000 0.800 77 E CB 0.162 29.798 29.700 -0.106 0.000 0.746 77 E HN 0.379 nan 8.360 nan 0.000 0.452 78 E N 0.234 120.258 120.200 -0.293 0.000 2.077 78 E HA -0.180 4.171 4.350 0.001 0.000 0.193 78 E C 2.031 178.530 176.600 -0.169 0.000 0.989 78 E CA 0.998 57.275 56.400 -0.204 0.000 0.800 78 E CB -0.340 29.221 29.700 -0.231 0.000 0.746 78 E HN 0.379 nan 8.360 nan 0.000 0.452 79 A N 1.277 123.855 122.820 -0.404 0.000 1.908 79 A HA -0.286 4.034 4.320 0.001 0.000 0.218 79 A C 2.211 179.736 177.584 -0.098 0.000 1.181 79 A CA 2.082 53.981 52.037 -0.231 0.000 0.627 79 A CB -0.564 18.101 19.000 -0.558 0.000 0.818 79 A HN 0.193 nan 8.150 nan 0.000 0.445 80 Q N -0.058 119.668 119.800 -0.125 0.000 2.050 80 Q HA -0.113 4.228 4.340 0.001 0.000 0.202 80 Q C 1.879 177.852 176.000 -0.046 0.000 0.980 80 Q CA 1.875 57.640 55.803 -0.064 0.000 0.840 80 Q CB -0.505 28.200 28.738 -0.055 0.000 0.898 80 Q HN 0.662 nan 8.270 nan 0.000 0.424 81 L N -0.300 120.893 121.223 -0.051 0.000 2.042 81 L HA -0.214 4.127 4.340 0.001 0.000 0.210 81 L C 2.399 179.239 176.870 -0.050 0.000 1.076 81 L CA 1.511 56.327 54.840 -0.041 0.000 0.749 81 L CB -0.537 41.500 42.059 -0.037 0.000 0.893 81 L HN 0.170 nan 8.230 nan 0.000 0.432 82 S N -0.262 115.398 115.700 -0.067 0.000 2.447 82 S HA -0.107 4.364 4.470 0.001 0.000 0.233 82 S C 1.776 176.341 174.600 -0.058 0.000 1.006 82 S CA 0.786 58.929 58.200 -0.095 0.000 0.957 82 S CB -0.163 62.927 63.200 -0.183 0.000 0.773 82 S HN 0.231 nan 8.310 nan 0.000 0.507 83 L N 2.416 123.620 121.223 -0.032 0.000 2.131 83 L HA 0.101 4.442 4.340 0.001 0.000 0.206 83 L C 1.490 178.349 176.870 -0.019 0.000 1.087 83 L CA 1.502 56.333 54.840 -0.015 0.000 0.767 83 L CB -0.567 41.489 42.059 -0.005 0.000 0.917 83 L HN 0.135 nan 8.230 nan 0.000 0.441 84 N N 0.108 118.794 118.700 -0.023 0.000 2.354 84 N HA -0.090 4.650 4.740 0.001 0.000 0.179 84 N C 0.557 176.054 175.510 -0.023 0.000 1.021 84 N CA 1.321 54.359 53.050 -0.020 0.000 0.887 84 N CB -0.122 38.355 38.487 -0.018 0.000 0.974 84 N HN 0.646 nan 8.380 nan 0.000 0.437 85 D N -2.505 117.876 120.400 -0.031 0.000 2.520 85 D HA 0.198 4.838 4.640 0.001 0.000 0.223 85 D C 0.953 177.230 176.300 -0.039 0.000 1.186 85 D CA 0.027 54.008 54.000 -0.032 0.000 0.821 85 D CB -0.252 40.528 40.800 -0.033 0.000 1.072 85 D HN 0.041 nan 8.370 nan 0.000 0.518 86 G N 1.034 109.808 108.800 -0.044 0.000 2.233 86 G HA2 -0.372 3.589 3.960 0.001 0.000 0.270 86 G HA3 -0.372 3.589 3.960 0.001 0.000 0.270 86 G C 0.033 174.892 174.900 -0.068 0.000 1.011 86 G CA 0.116 45.186 45.100 -0.050 0.000 0.762 86 G HN 0.429 nan 8.290 nan 0.000 0.511 87 R N 0.113 120.562 120.500 -0.085 0.000 2.357 87 R HA 0.416 4.757 4.340 0.001 0.000 0.296 87 R C -0.024 176.178 176.300 -0.164 0.000 1.052 87 R CA -0.276 55.764 56.100 -0.100 0.000 0.988 87 R CB 0.758 31.008 30.300 -0.083 0.000 1.025 87 R HN 0.130 nan 8.270 nan 0.000 0.469 88 T N 3.974 118.435 114.554 -0.155 0.000 2.743 88 T HA 0.131 4.482 4.350 0.001 0.000 0.290 88 T C 1.125 175.681 174.700 -0.242 0.000 0.908 88 T CA 0.036 62.003 62.100 -0.221 0.000 1.092 88 T CB 0.424 69.218 68.868 -0.123 0.000 0.882 88 T HN 0.411 nan 8.240 nan 0.000 0.531 89 R N 1.775 122.020 120.500 -0.425 0.000 2.307 89 R HA 0.267 4.608 4.340 0.001 0.000 0.200 89 R C -0.132 176.097 176.300 -0.117 0.000 0.893 89 R CA 0.317 56.265 56.100 -0.254 0.000 1.042 89 R CB 0.477 30.671 30.300 -0.177 0.000 1.059 89 R HN 0.656 nan 8.270 nan 0.000 0.530 90 F N -3.395 116.580 119.950 0.042 0.000 2.831 90 F HA 0.636 5.164 4.527 0.001 0.000 0.318 90 F C -1.354 174.523 175.800 0.129 0.000 1.174 90 F CA -1.715 56.327 58.000 0.069 0.000 0.918 90 F CB 1.094 40.149 39.000 0.091 0.000 1.364 90 F HN -0.349 nan 8.300 nan 0.000 0.475 91 V N 1.267 121.493 119.914 0.520 0.000 2.817 91 V HA 0.531 4.652 4.120 0.001 0.000 0.303 91 V C -1.727 174.586 176.094 0.365 0.000 1.151 91 V CA -0.815 61.748 62.300 0.439 0.000 0.929 91 V CB 1.748 33.748 31.823 0.296 0.000 1.030 91 V HN 0.684 nan 8.190 nan 0.000 0.427 92 F N 6.212 126.361 119.950 0.332 0.000 2.487 92 F HA 0.320 4.848 4.527 0.001 0.000 0.364 92 F C 1.261 177.184 175.800 0.205 0.000 1.126 92 F CA -0.105 58.037 58.000 0.238 0.000 1.135 92 F CB 0.698 39.797 39.000 0.165 0.000 1.127 92 F HN 0.721 nan 8.300 nan 0.000 0.559 93 D N 0.597 121.190 120.400 0.322 0.000 2.463 93 D HA 0.014 4.654 4.640 0.001 0.000 0.224 93 D C -0.168 176.256 176.300 0.206 0.000 1.174 93 D CA -0.223 53.921 54.000 0.240 0.000 0.829 93 D CB -0.324 40.591 40.800 0.192 0.000 0.993 93 D HN 0.213 nan 8.370 nan 0.000 0.497 94 D N 0.875 121.404 120.400 0.215 0.000 2.399 94 D HA 0.259 4.900 4.640 0.001 0.000 0.241 94 D C -0.196 176.159 176.300 0.092 0.000 1.133 94 D CA 0.649 54.739 54.000 0.151 0.000 0.890 94 D CB 1.330 42.225 40.800 0.159 0.000 1.201 94 D HN 0.158 nan 8.370 nan 0.000 0.432 95 D N -0.020 120.396 120.400 0.028 0.000 2.665 95 D HA 0.118 4.759 4.640 0.001 0.000 0.287 95 D C -1.057 175.230 176.300 -0.021 0.000 1.266 95 D CA -0.581 53.410 54.000 -0.015 0.000 0.830 95 D CB 1.343 42.105 40.800 -0.064 0.000 1.356 95 D HN 0.100 nan 8.370 nan 0.000 0.437 96 N N 1.124 119.810 118.700 -0.022 0.000 2.431 96 N HA 0.126 4.867 4.740 0.001 0.000 0.265 96 N C -0.185 175.308 175.510 -0.029 0.000 1.184 96 N CA 0.116 53.176 53.050 0.017 0.000 0.943 96 N CB 0.069 38.537 38.487 -0.032 0.000 1.080 96 N HN 0.203 nan 8.380 nan 0.000 0.477 97 F N 1.819 121.674 119.950 -0.158 0.000 2.578 97 F HA 0.101 4.629 4.527 0.001 0.000 0.376 97 F C 1.244 176.813 175.800 -0.385 0.000 1.085 97 F CA 0.164 57.950 58.000 -0.356 0.000 1.260 97 F CB 0.312 38.911 39.000 -0.669 0.000 1.095 97 F HN 0.254 nan 8.300 nan 0.000 0.573 98 I N 4.923 125.324 120.570 -0.282 0.000 2.321 98 I HA 0.212 4.383 4.170 0.001 0.000 0.291 98 I C -0.881 175.104 176.117 -0.220 0.000 0.998 98 I CA -0.610 60.596 61.300 -0.157 0.000 1.227 98 I CB 0.804 38.734 38.000 -0.117 0.000 1.368 98 I HN 0.433 nan 8.210 nan 0.000 0.466 99 Y N 6.551 126.914 120.300 0.104 0.000 2.387 99 Y HA 0.633 5.183 4.550 0.001 0.000 0.336 99 Y C 0.000 175.934 175.900 0.055 0.000 1.067 99 Y CA -0.701 57.463 58.100 0.107 0.000 1.114 99 Y CB 1.761 40.280 38.460 0.098 0.000 1.208 99 Y HN 0.307 nan 8.280 nan 0.000 0.458 100 I N 2.389 123.100 120.570 0.235 0.000 2.499 100 I HA 0.230 4.400 4.170 0.001 0.000 0.288 100 I C -1.238 174.993 176.117 0.189 0.000 1.048 100 I CA -0.671 60.721 61.300 0.153 0.000 1.062 100 I CB 2.130 40.202 38.000 0.119 0.000 1.238 100 I HN 0.578 nan 8.210 nan 0.000 0.426 101 D N 3.448 123.880 120.400 0.053 0.000 2.217 101 D HA 0.142 4.782 4.640 0.001 0.000 0.248 101 D C 0.961 177.184 176.300 -0.128 0.000 1.008 101 D CA -0.318 53.675 54.000 -0.013 0.000 0.914 101 D CB 1.772 42.462 40.800 -0.183 0.000 1.182 101 D HN 0.622 nan 8.370 nan 0.000 0.451 102 E N 1.454 121.362 120.200 -0.486 0.000 2.118 102 E HA -0.244 4.106 4.350 0.001 0.000 0.195 102 E C 1.045 177.406 176.600 -0.399 0.000 0.992 102 E CA 1.646 57.511 56.400 -0.892 0.000 0.804 102 E CB 0.238 28.934 29.700 -1.673 0.000 0.741 102 E HN 0.688 nan 8.360 nan 0.000 0.458 103 E N -0.481 119.560 120.200 -0.265 0.000 2.067 103 E HA -0.052 4.299 4.350 0.001 0.000 0.194 103 E C 2.126 178.670 176.600 -0.094 0.000 0.950 103 E CA -0.152 56.161 56.400 -0.146 0.000 0.872 103 E CB -0.518 29.125 29.700 -0.095 0.000 0.877 103 E HN -0.100 nan 8.360 nan 0.000 0.470 104 R N 1.776 122.227 120.500 -0.081 0.000 2.388 104 R HA -0.053 4.287 4.340 0.001 0.000 0.233 104 R C 0.875 177.117 176.300 -0.097 0.000 1.156 104 R CA 1.253 57.299 56.100 -0.091 0.000 1.036 104 R CB -1.259 28.931 30.300 -0.183 0.000 0.847 104 R HN 0.531 nan 8.270 nan 0.000 0.483 105 G N 0.097 108.848 108.800 -0.081 0.000 2.564 105 G HA2 -0.390 3.570 3.960 0.001 0.000 0.273 105 G HA3 -0.390 3.570 3.960 0.001 0.000 0.273 105 G C -0.814 174.066 174.900 -0.032 0.000 1.242 105 G CA 0.279 45.354 45.100 -0.041 0.000 0.951 105 G HN 0.462 nan 8.290 nan 0.000 0.564 106 R N 0.094 120.591 120.500 -0.006 0.000 2.570 106 R HA 0.328 4.669 4.340 0.001 0.000 0.277 106 R C 1.256 177.560 176.300 0.006 0.000 1.039 106 R CA 0.670 56.783 56.100 0.022 0.000 1.065 106 R CB 0.656 30.977 30.300 0.034 0.000 0.964 106 R HN 1.142 nan 8.270 nan 0.000 0.428 107 V N -1.874 118.061 119.914 0.036 0.000 3.337 107 V HA 0.081 4.201 4.120 0.001 0.000 0.307 107 V C 0.218 176.365 176.094 0.089 0.000 1.505 107 V CA -0.446 61.850 62.300 -0.007 0.000 1.072 107 V CB 0.003 31.733 31.823 -0.155 0.000 0.929 107 V HN 0.709 nan 8.190 nan 0.000 0.455 108 D N 0.082 120.602 120.400 0.200 0.000 2.329 108 D HA 0.115 4.756 4.640 0.001 0.000 0.246 108 D C 0.476 176.927 176.300 0.251 0.000 1.111 108 D CA -0.244 53.937 54.000 0.302 0.000 0.941 108 D CB 0.501 41.527 40.800 0.376 0.000 1.169 108 D HN 0.366 nan 8.370 nan 0.000 0.441 109 H N -0.461 118.681 119.070 0.120 0.000 2.445 109 H HA -0.222 4.335 4.556 0.001 0.000 0.322 109 H C -1.062 174.300 175.328 0.056 0.000 1.053 109 H CA 0.929 57.023 56.048 0.077 0.000 1.109 109 H CB -1.085 28.719 29.762 0.071 0.000 1.546 109 H HN 0.400 nan 8.280 nan 0.000 0.397 110 D N 1.141 121.538 120.400 -0.004 0.000 2.280 110 D HA 0.096 4.737 4.640 0.001 0.000 0.236 110 D C 1.158 177.415 176.300 -0.071 0.000 1.082 110 D CA -0.128 53.855 54.000 -0.028 0.000 0.834 110 D CB 0.775 41.581 40.800 0.011 0.000 1.100 110 D HN 0.726 nan 8.370 nan 0.000 0.486 111 K N 1.822 122.167 120.400 -0.091 0.000 2.360 111 K HA -0.166 4.155 4.320 0.001 0.000 0.201 111 K C 1.331 177.912 176.600 -0.033 0.000 1.046 111 K CA 1.481 57.721 56.287 -0.079 0.000 0.940 111 K CB 0.067 32.528 32.500 -0.065 0.000 0.748 111 K HN 0.354 nan 8.250 nan 0.000 0.465 112 E N 1.730 121.923 120.200 -0.011 0.000 2.256 112 E HA 0.187 4.538 4.350 0.001 0.000 0.198 112 E C 1.908 178.525 176.600 0.027 0.000 0.908 112 E CA 0.209 56.616 56.400 0.010 0.000 0.915 112 E CB -0.497 29.215 29.700 0.019 0.000 0.890 112 E HN 0.247 nan 8.360 nan 0.000 0.484 113 L N 0.009 121.253 121.223 0.034 0.000 2.109 113 L HA 0.134 4.474 4.340 0.001 0.000 0.207 113 L C 1.074 177.972 176.870 0.048 0.000 1.086 113 L CA 0.723 55.599 54.840 0.061 0.000 0.760 113 L CB -0.390 41.709 42.059 0.068 0.000 0.910 113 L HN 0.335 nan 8.230 nan 0.000 0.437 114 L N -0.166 121.070 121.223 0.022 0.000 3.851 114 L HA -0.294 4.047 4.340 0.001 0.000 0.438 114 L C 1.519 178.408 176.870 0.031 0.000 1.171 114 L CA -0.188 54.662 54.840 0.017 0.000 0.895 114 L CB -1.642 40.426 42.059 0.015 0.000 1.800 114 L HN 0.321 nan 8.230 nan 0.000 0.960 115 L N -0.777 120.464 121.223 0.029 0.000 2.043 115 L HA -0.243 4.097 4.340 0.001 0.000 0.212 115 L C 2.349 179.216 176.870 -0.005 0.000 1.075 115 L CA 1.911 56.758 54.840 0.012 0.000 0.752 115 L CB -0.226 41.813 42.059 -0.033 0.000 0.891 115 L HN 0.403 nan 8.230 nan 0.000 0.432 116 E N 0.244 120.447 120.200 0.006 0.000 2.153 116 E HA -0.173 4.177 4.350 0.001 0.000 0.194 116 E C 2.142 178.753 176.600 0.018 0.000 0.988 116 E CA 1.084 57.493 56.400 0.016 0.000 0.811 116 E CB -0.187 29.552 29.700 0.065 0.000 0.746 116 E HN 0.467 nan 8.360 nan 0.000 0.466 117 I N 0.233 120.818 120.570 0.025 0.000 2.233 117 I HA -0.199 3.972 4.170 0.001 0.000 0.243 117 I C 2.234 178.366 176.117 0.024 0.000 1.093 117 I CA 0.970 62.283 61.300 0.022 0.000 1.380 117 I CB -0.355 37.660 38.000 0.024 0.000 1.067 117 I HN 0.099 nan 8.210 nan 0.000 0.413 118 V N -1.530 118.408 119.914 0.040 0.000 2.667 118 V HA -0.222 3.898 4.120 0.001 0.000 0.252 118 V C 2.044 178.129 176.094 -0.014 0.000 1.065 118 V CA 2.080 64.416 62.300 0.061 0.000 1.083 118 V CB -0.834 31.062 31.823 0.121 0.000 0.692 118 V HN 0.351 nan 8.190 nan 0.000 0.468 119 D N 1.649 122.043 120.400 -0.010 0.000 2.117 119 D HA -0.248 4.392 4.640 0.001 0.000 0.197 119 D C 1.992 178.274 176.300 -0.030 0.000 0.987 119 D CA 1.969 55.960 54.000 -0.015 0.000 0.829 119 D CB -0.399 40.423 40.800 0.038 0.000 0.961 119 D HN 0.583 nan 8.370 nan 0.000 0.460 120 N N 0.221 118.908 118.700 -0.021 0.000 2.120 120 N HA -0.200 4.541 4.740 0.001 0.000 0.188 120 N C 1.693 177.166 175.510 -0.061 0.000 1.024 120 N CA 1.551 54.579 53.050 -0.036 0.000 0.852 120 N CB -0.171 38.301 38.487 -0.025 0.000 1.003 120 N HN 0.295 nan 8.380 nan 0.000 0.424 121 E N -0.724 119.447 120.200 -0.048 0.000 2.110 121 E HA -0.192 4.159 4.350 0.001 0.000 0.193 121 E C 1.908 178.442 176.600 -0.111 0.000 0.988 121 E CA 0.792 57.179 56.400 -0.022 0.000 0.804 121 E CB -0.059 29.684 29.700 0.072 0.000 0.745 121 E HN 0.401 nan 8.360 nan 0.000 0.458 122 M N 0.776 120.164 119.600 -0.353 0.000 2.086 122 M HA -0.164 4.317 4.480 0.001 0.000 0.261 122 M C 2.576 178.749 176.300 -0.211 0.000 1.067 122 M CA 1.973 56.929 55.300 -0.574 0.000 1.116 122 M CB -0.561 31.659 32.600 -0.632 0.000 1.348 122 M HN 0.184 nan 8.290 nan 0.000 0.407 123 S N -0.390 115.162 115.700 -0.247 0.000 2.402 123 S HA -0.155 4.316 4.470 0.001 0.000 0.229 123 S C 1.793 176.159 174.600 -0.392 0.000 1.021 123 S CA 1.336 59.186 58.200 -0.583 0.000 0.974 123 S CB -0.349 62.594 63.200 -0.427 0.000 0.800 123 S HN 0.313 nan 8.310 nan 0.000 0.484 124 K N 1.358 121.650 120.400 -0.181 0.000 2.103 124 K HA 0.056 4.377 4.320 0.001 0.000 0.204 124 K C 1.648 178.210 176.600 -0.064 0.000 1.052 124 K CA 1.081 57.302 56.287 -0.109 0.000 0.945 124 K CB -0.942 31.530 32.500 -0.046 0.000 0.722 124 K HN 0.412 nan 8.250 nan 0.000 0.443 125 F N 0.734 120.598 119.950 -0.145 0.000 2.102 125 F HA -0.068 4.459 4.527 0.001 0.000 0.298 125 F C 1.865 177.591 175.800 -0.124 0.000 1.105 125 F CA 1.761 59.717 58.000 -0.074 0.000 1.239 125 F CB -0.760 38.264 39.000 0.041 0.000 0.991 125 F HN 0.068 nan 8.300 nan 0.000 0.474 126 A N 0.189 122.891 122.820 -0.198 0.000 1.883 126 A HA -0.262 4.059 4.320 0.001 0.000 0.217 126 A C 2.302 179.758 177.584 -0.213 0.000 1.186 126 A CA 1.842 53.750 52.037 -0.215 0.000 0.624 126 A CB -1.208 17.758 19.000 -0.056 0.000 0.822 126 A HN 0.609 nan 8.150 nan 0.000 0.444 127 E N -0.061 120.008 120.200 -0.218 0.000 2.085 127 E HA -0.198 4.152 4.350 0.001 0.000 0.194 127 E C 1.920 178.403 176.600 -0.196 0.000 0.994 127 E CA 1.346 57.662 56.400 -0.140 0.000 0.801 127 E CB -0.224 29.389 29.700 -0.146 0.000 0.743 127 E HN 0.639 nan 8.360 nan 0.000 0.453 128 L N 0.463 121.514 121.223 -0.286 0.000 2.141 128 L HA -0.133 4.208 4.340 0.001 0.000 0.209 128 L C 2.602 179.095 176.870 -0.628 0.000 1.094 128 L CA 1.011 55.642 54.840 -0.349 0.000 0.763 128 L CB -0.333 41.567 42.059 -0.265 0.000 0.908 128 L HN 0.172 nan 8.230 nan 0.000 0.437 129 E N 0.583 120.335 120.200 -0.747 0.000 2.047 129 E HA -0.182 4.169 4.350 0.001 0.000 0.191 129 E C 1.871 177.919 176.600 -0.920 0.000 0.987 129 E CA 1.814 57.634 56.400 -0.967 0.000 0.799 129 E CB -0.122 28.869 29.700 -1.182 0.000 0.752 129 E HN 0.419 nan 8.360 nan 0.000 0.449 130 F N -1.208 118.563 119.950 -0.297 0.000 2.505 130 F HA 0.204 4.732 4.527 0.001 0.000 0.289 130 F C 1.484 177.221 175.800 -0.106 0.000 1.101 130 F CA 0.602 58.516 58.000 -0.144 0.000 1.446 130 F CB -0.735 38.231 39.000 -0.057 0.000 1.123 130 F HN 0.089 nan 8.300 nan 0.000 0.564 131 H N 0.548 119.628 119.070 0.016 0.000 3.026 131 H HA 0.514 5.071 4.556 0.001 0.000 0.289 131 H C 1.061 176.426 175.328 0.061 0.000 1.022 131 H CA 0.525 56.592 56.048 0.030 0.000 1.477 131 H CB -0.316 29.443 29.762 -0.005 0.000 1.510 131 H HN 0.428 nan 8.280 nan 0.000 0.535 132 Q N 0.428 120.305 119.800 0.128 0.000 5.088 132 Q HA -0.203 4.138 4.340 0.001 0.000 0.255 132 Q C 0.871 177.024 176.000 0.255 0.000 1.881 132 Q CA 1.809 57.722 55.803 0.184 0.000 0.685 132 Q CB -2.313 nan 28.738 nan 0.000 0.549 132 Q HN 1.179 nan 8.270 nan 0.000 0.884 133 H N 1.376 120.452 119.070 0.009 0.000 3.220 133 H HA 0.619 5.176 4.556 0.001 0.000 0.225 133 H C 0.731 176.082 175.328 0.039 0.000 1.869 133 H CA -0.290 55.760 56.048 0.003 0.000 1.428 133 H CB -0.968 28.767 29.762 -0.045 0.000 1.792 133 H HN 0.689 nan 8.280 nan 0.000 0.595 134 L N 0.215 121.516 121.223 0.131 0.000 2.529 134 L HA 0.026 4.367 4.340 0.001 0.000 0.287 134 L C 1.574 178.498 176.870 0.090 0.000 1.241 134 L CA 1.034 55.935 54.840 0.102 0.000 0.857 134 L CB 0.419 42.516 42.059 0.064 0.000 1.113 134 L HN 0.823 nan 8.230 nan 0.000 0.504 135 G N 1.913 110.769 108.800 0.092 0.000 2.225 135 G HA2 -0.255 3.705 3.960 0.001 0.000 0.254 135 G HA3 -0.255 3.705 3.960 0.001 0.000 0.254 135 G C 0.147 175.106 174.900 0.098 0.000 0.988 135 G CA 0.019 45.166 45.100 0.079 0.000 0.625 135 G HN 0.407 nan 8.290 nan 0.000 0.527 136 V N 2.057 122.054 119.914 0.137 0.000 2.673 136 V HA 0.409 4.529 4.120 0.001 0.000 0.303 136 V C 1.355 177.563 176.094 0.190 0.000 1.046 136 V CA 0.625 63.016 62.300 0.153 0.000 1.126 136 V CB 1.364 33.286 31.823 0.165 0.000 0.934 136 V HN 0.423 nan 8.190 nan 0.000 0.487 137 S N 2.670 118.464 115.700 0.158 0.000 2.589 137 S HA 0.013 4.484 4.470 0.001 0.000 0.265 137 S C 1.047 175.789 174.600 0.237 0.000 1.342 137 S CA -0.264 58.029 58.200 0.155 0.000 1.005 137 S CB 0.786 64.053 63.200 0.113 0.000 0.909 137 S HN 0.970 nan 8.310 nan 0.000 0.555 138 D N 0.365 120.868 120.400 0.172 0.000 2.106 138 D HA -0.042 4.598 4.640 0.001 0.000 0.203 138 D C 1.043 177.462 176.300 0.199 0.000 0.977 138 D CA 1.262 55.356 54.000 0.156 0.000 0.844 138 D CB -0.479 40.359 40.800 0.063 0.000 1.002 138 D HN 0.911 nan 8.370 nan 0.000 0.461 139 C N -0.141 119.250 119.300 0.152 0.000 0.168 139 C HA -0.074 4.387 4.460 0.001 0.000 0.017 139 C C 0.627 175.712 174.990 0.157 0.000 0.171 139 C CA -0.767 58.340 59.018 0.149 0.000 0.499 139 C CB -2.218 25.623 27.740 0.169 0.000 3.212 139 C HN 0.571 nan 8.230 nan 0.000 1.118 140 S N 2.211 117.997 115.700 0.143 0.000 2.632 140 S HA 0.520 4.991 4.470 0.001 0.000 0.267 140 S C 0.513 175.268 174.600 0.258 0.000 1.276 140 S CA 0.204 58.505 58.200 0.169 0.000 0.998 140 S CB 0.752 64.026 63.200 0.124 0.000 0.953 140 S HN 1.915 nan 8.310 nan 0.000 0.547 141 F N 1.052 121.086 119.950 0.140 0.000 2.134 141 F HA -0.084 4.444 4.527 0.001 0.000 0.299 141 F C 1.892 177.810 175.800 0.196 0.000 1.097 141 F CA 1.579 59.696 58.000 0.195 0.000 1.264 141 F CB -0.286 38.839 39.000 0.209 0.000 1.001 141 F HN 0.734 nan 8.300 nan 0.000 0.479 142 F N 1.787 121.610 119.950 -0.211 0.000 2.091 142 F HA -0.297 4.230 4.527 0.001 0.000 0.299 142 F C 2.366 177.906 175.800 -0.433 0.000 1.103 142 F CA 2.262 59.819 58.000 -0.738 0.000 1.228 142 F CB -0.911 37.385 39.000 -1.174 0.000 0.984 142 F HN 0.069 nan 8.300 nan 0.000 0.477 143 Q N -0.159 119.447 119.800 -0.323 0.000 2.170 143 Q HA -0.191 4.150 4.340 0.001 0.000 0.203 143 Q C 2.171 178.064 176.000 -0.179 0.000 0.976 143 Q CA 1.579 57.207 55.803 -0.292 0.000 0.858 143 Q CB -0.436 28.297 28.738 -0.008 0.000 0.907 143 Q HN 0.510 nan 8.270 nan 0.000 0.433 144 L N 0.018 121.226 121.223 -0.026 0.000 2.056 144 L HA -0.134 4.206 4.340 0.001 0.000 0.207 144 L C 2.023 178.947 176.870 0.090 0.000 1.078 144 L CA 1.388 56.319 54.840 0.153 0.000 0.749 144 L CB -0.273 42.011 42.059 0.375 0.000 0.901 144 L HN -0.022 nan 8.230 nan 0.000 0.433 145 V N -0.636 119.193 119.914 -0.141 0.000 2.548 145 V HA -0.245 3.876 4.120 0.001 0.000 0.249 145 V C 2.549 178.581 176.094 -0.103 0.000 1.055 145 V CA 1.483 63.721 62.300 -0.103 0.000 1.065 145 V CB -0.614 31.106 31.823 -0.171 0.000 0.681 145 V HN 0.388 nan 8.190 nan 0.000 0.462 146 M N -0.076 119.328 119.600 -0.326 0.000 2.132 146 M HA -0.139 4.342 4.480 0.001 0.000 0.263 146 M C 2.177 178.381 176.300 -0.160 0.000 1.065 146 M CA 1.628 56.757 55.300 -0.286 0.000 1.122 146 M CB -1.141 31.155 32.600 -0.506 0.000 1.365 146 M HN 0.302 nan 8.290 nan 0.000 0.411 147 K N -0.572 119.767 120.400 -0.102 0.000 2.097 147 K HA -0.215 4.105 4.320 0.001 0.000 0.206 147 K C 2.123 178.644 176.600 -0.132 0.000 1.049 147 K CA 1.214 57.483 56.287 -0.030 0.000 0.933 147 K CB -0.200 32.370 32.500 0.117 0.000 0.717 147 K HN 0.235 nan 8.250 nan 0.000 0.442 148 Y N 1.591 121.690 120.300 -0.335 0.000 2.114 148 Y HA -0.197 4.353 4.550 0.001 0.000 0.284 148 Y C 1.699 177.353 175.900 -0.410 0.000 1.143 148 Y CA 1.568 59.223 58.100 -0.742 0.000 1.135 148 Y CB -0.390 37.708 38.460 -0.602 0.000 0.980 148 Y HN -0.032 nan 8.280 nan 0.000 0.499 149 L N -0.706 120.312 121.223 -0.342 0.000 2.081 149 L HA -0.257 4.084 4.340 0.001 0.000 0.212 149 L C 2.383 179.047 176.870 -0.343 0.000 1.080 149 L CA 1.005 55.649 54.840 -0.326 0.000 0.754 149 L CB -0.785 41.227 42.059 -0.078 0.000 0.893 149 L HN 0.293 nan 8.230 nan 0.000 0.433 150 L N -0.310 120.747 121.223 -0.277 0.000 2.005 150 L HA -0.228 4.112 4.340 0.001 0.000 0.207 150 L C 2.676 179.399 176.870 -0.244 0.000 1.072 150 L CA 1.748 56.453 54.840 -0.226 0.000 0.744 150 L CB -0.747 41.217 42.059 -0.158 0.000 0.895 150 L HN 0.290 nan 8.230 nan 0.000 0.433 151 Q N -0.981 118.658 119.800 -0.269 0.000 2.224 151 Q HA -0.137 4.203 4.340 0.001 0.000 0.203 151 Q C 1.093 176.947 176.000 -0.242 0.000 0.970 151 Q CA 0.948 56.625 55.803 -0.210 0.000 0.865 151 Q CB 0.247 28.899 28.738 -0.145 0.000 0.922 151 Q HN 0.301 nan 8.270 nan 0.000 0.445 152 R N -0.004 120.243 120.500 -0.421 0.000 2.543 152 R HA 0.099 4.440 4.340 0.001 0.000 0.323 152 R C 1.654 177.746 176.300 -0.348 0.000 1.002 152 R CA 0.060 55.971 56.100 -0.317 0.000 1.106 152 R CB 0.053 30.034 30.300 -0.532 0.000 1.280 152 R HN 0.350 nan 8.270 nan 0.000 0.549 153 R N 0.927 121.207 120.500 -0.367 0.000 2.117 153 R HA -0.207 4.133 4.340 0.001 0.000 0.243 153 R C 1.584 177.668 176.300 -0.361 0.000 1.143 153 R CA 1.682 57.595 56.100 -0.311 0.000 0.968 153 R CB -0.454 29.684 30.300 -0.270 0.000 0.863 153 R HN 0.235 nan 8.270 nan 0.000 0.444 154 Q N 0.460 119.907 119.800 -0.588 0.000 2.291 154 Q HA -0.088 4.252 4.340 0.001 0.000 0.206 154 Q C 0.330 175.888 176.000 -0.736 0.000 0.976 154 Q CA 1.196 56.545 55.803 -0.757 0.000 0.875 154 Q CB 0.060 28.131 28.738 -1.111 0.000 0.927 154 Q HN 0.576 nan 8.270 nan 0.000 0.450 155 F N 0.315 120.207 119.950 -0.097 0.000 2.772 155 F HA 0.362 4.890 4.527 0.001 0.000 0.302 155 F C -0.547 175.219 175.800 -0.057 0.000 1.136 155 F CA -0.548 57.411 58.000 -0.069 0.000 1.322 155 F CB 0.646 39.608 39.000 -0.064 0.000 0.967 155 F HN -0.130 nan 8.300 nan 0.000 0.513 156 L N 0.201 121.428 121.223 0.007 0.000 2.422 156 L HA 0.498 4.838 4.340 0.001 0.000 0.264 156 L C 0.233 177.097 176.870 -0.010 0.000 0.984 156 L CA -1.044 53.805 54.840 0.015 0.000 0.819 156 L CB 2.345 44.397 42.059 -0.011 0.000 1.330 156 L HN 0.044 nan 8.230 nan 0.000 0.410 157 T N -2.594 111.970 114.554 0.016 0.000 2.828 157 T HA 0.176 4.527 4.350 0.001 0.000 0.290 157 T C 0.919 175.617 174.700 -0.004 0.000 1.019 157 T CA -0.564 61.539 62.100 0.006 0.000 1.031 157 T CB 0.890 69.773 68.868 0.025 0.000 1.001 157 T HN 0.511 nan 8.240 nan 0.000 0.531 158 N N 1.232 119.922 118.700 -0.017 0.000 2.036 158 N HA -0.127 4.614 4.740 0.001 0.000 0.195 158 N C 1.406 176.900 175.510 -0.028 0.000 1.037 158 N CA 1.573 54.604 53.050 -0.031 0.000 0.855 158 N CB -0.713 37.752 38.487 -0.036 0.000 1.033 158 N HN 0.681 nan 8.380 nan 0.000 0.423 159 D N 0.727 121.125 120.400 -0.002 0.000 2.149 159 D HA -0.125 4.515 4.640 0.001 0.000 0.198 159 D C 1.936 178.268 176.300 0.052 0.000 0.990 159 D CA 0.852 54.860 54.000 0.013 0.000 0.839 159 D CB -0.170 40.710 40.800 0.133 0.000 0.948 159 D HN 0.457 nan 8.370 nan 0.000 0.460 160 Q N -0.258 119.587 119.800 0.075 0.000 2.079 160 Q HA -0.025 4.316 4.340 0.001 0.000 0.200 160 Q C 2.408 178.466 176.000 0.096 0.000 0.974 160 Q CA 0.608 56.473 55.803 0.104 0.000 0.840 160 Q CB 0.078 28.872 28.738 0.094 0.000 0.898 160 Q HN 0.361 nan 8.270 nan 0.000 0.430 161 I N 0.464 121.073 120.570 0.066 0.000 2.454 161 I HA -0.259 3.912 4.170 0.001 0.000 0.254 161 I C 2.612 178.842 176.117 0.189 0.000 1.156 161 I CA 0.935 62.304 61.300 0.116 0.000 1.433 161 I CB -0.181 37.843 38.000 0.040 0.000 1.082 161 I HN 0.165 nan 8.210 nan 0.000 0.432 162 R N 0.360 120.866 120.500 0.010 0.000 2.062 162 R HA -0.126 4.215 4.340 0.001 0.000 0.226 162 R C 2.099 178.244 176.300 -0.258 0.000 1.125 162 R CA 1.474 57.483 56.100 -0.151 0.000 0.966 162 R CB -0.144 29.860 30.300 -0.494 0.000 0.861 162 R HN 0.292 nan 8.270 nan 0.000 0.433 163 Y N -0.241 120.094 120.300 0.058 0.000 2.476 163 Y HA -0.030 4.520 4.550 0.001 0.000 0.283 163 Y C 1.955 177.851 175.900 -0.007 0.000 1.109 163 Y CA -0.246 57.863 58.100 0.014 0.000 1.246 163 Y CB 0.058 38.525 38.460 0.011 0.000 1.068 163 Y HN 0.082 nan 8.280 nan 0.000 0.552 164 L N 2.480 123.794 121.223 0.151 0.000 1.971 164 L HA -0.145 4.195 4.340 0.001 0.000 0.215 164 L C -0.603 176.300 176.870 0.055 0.000 1.072 164 L CA 2.062 56.959 54.840 0.094 0.000 0.758 164 L CB -1.710 40.423 42.059 0.124 0.000 0.889 164 L HN -0.030 nan 8.230 nan 0.000 0.433 165 P HA -0.220 nan 4.420 nan 0.000 0.216 165 P C 1.183 178.392 177.300 -0.152 0.000 1.150 165 P CA 1.570 64.696 63.100 0.042 0.000 0.843 165 P CB -0.174 31.602 31.700 0.126 0.000 0.787 166 Q N -0.360 119.378 119.800 -0.103 0.000 2.083 166 Q HA -0.043 4.298 4.340 0.001 0.000 0.198 166 Q C 2.458 178.414 176.000 -0.074 0.000 0.969 166 Q CA 0.833 56.557 55.803 -0.132 0.000 0.838 166 Q CB -1.251 27.500 28.738 0.022 0.000 0.900 166 Q HN 0.331 nan 8.270 nan 0.000 0.436 167 L N 0.844 122.049 121.223 -0.030 0.000 2.093 167 L HA -0.128 4.213 4.340 0.001 0.000 0.208 167 L C 2.402 179.303 176.870 0.051 0.000 1.085 167 L CA 1.626 56.427 54.840 -0.065 0.000 0.755 167 L CB -0.243 41.657 42.059 -0.266 0.000 0.904 167 L HN 0.381 nan 8.230 nan 0.000 0.435 168 C N -1.174 118.119 119.300 -0.013 0.000 2.491 168 C HA 0.085 4.545 4.460 0.001 0.000 0.277 168 C C 2.405 177.242 174.990 -0.255 0.000 1.455 168 C CA -0.258 58.708 59.018 -0.087 0.000 1.758 168 C CB -1.557 26.219 27.740 0.060 0.000 1.745 168 C HN 0.464 nan 8.230 nan 0.000 0.558 169 R N 0.174 120.570 120.500 -0.174 0.000 2.307 169 R HA -0.008 4.333 4.340 0.001 0.000 0.199 169 R C 1.814 178.038 176.300 -0.127 0.000 1.000 169 R CA 1.204 57.205 56.100 -0.165 0.000 1.023 169 R CB -0.452 29.591 30.300 -0.428 0.000 0.908 169 R HN 0.915 nan 8.270 nan 0.000 0.473 170 Y N -0.760 119.565 120.300 0.041 0.000 2.384 170 Y HA -0.146 4.405 4.550 0.001 0.000 0.289 170 Y C 1.530 177.446 175.900 0.026 0.000 1.152 170 Y CA 0.665 58.786 58.100 0.035 0.000 1.258 170 Y CB -0.791 37.663 38.460 -0.009 0.000 0.979 170 Y HN -0.052 nan 8.280 nan 0.000 0.549 171 L N 0.630 121.520 121.223 -0.554 0.000 2.349 171 L HA -0.175 4.165 4.340 0.001 0.000 0.220 171 L C 2.303 179.209 176.870 0.060 0.000 1.130 171 L CA 1.399 56.084 54.840 -0.259 0.000 0.791 171 L CB -0.553 41.162 42.059 -0.574 0.000 0.918 171 L HN 0.367 nan 8.230 nan 0.000 0.444 172 E N -0.060 120.177 120.200 0.062 0.000 2.110 172 E HA -0.183 4.168 4.350 0.001 0.000 0.193 172 E C 1.625 178.333 176.600 0.179 0.000 0.988 172 E CA 0.758 57.245 56.400 0.146 0.000 0.804 172 E CB 0.023 29.793 29.700 0.117 0.000 0.745 172 E HN 0.329 nan 8.360 nan 0.000 0.458 173 L N 0.324 121.664 121.223 0.195 0.000 2.650 173 L HA -0.071 4.270 4.340 0.001 0.000 0.235 173 L C 1.480 178.491 176.870 0.234 0.000 1.149 173 L CA 0.913 55.891 54.840 0.231 0.000 0.887 173 L CB -1.194 41.050 42.059 0.307 0.000 1.021 173 L HN 0.425 nan 8.230 nan 0.000 0.441 174 W N -0.525 120.768 121.300 -0.013 0.000 2.735 174 W HA 0.017 4.677 4.660 0.001 0.000 0.264 174 W C 1.703 178.052 176.519 -0.283 0.000 1.233 174 W CA 0.390 57.602 57.345 -0.221 0.000 1.408 174 W CB 0.253 29.471 29.460 -0.403 0.000 1.038 174 W HN 0.277 nan 8.180 nan 0.000 0.603 175 H N -0.441 118.632 119.070 0.005 0.000 2.654 175 H HA 0.164 4.720 4.556 0.001 0.000 0.264 175 H C 1.785 177.052 175.328 -0.101 0.000 0.954 175 H CA 1.063 57.090 56.048 -0.035 0.000 1.199 175 H CB 0.356 30.135 29.762 0.029 0.000 1.446 175 H HN 0.182 nan 8.280 nan 0.000 0.516 176 G N 1.320 110.143 108.800 0.038 0.000 2.147 176 G HA2 -0.238 3.723 3.960 0.001 0.000 0.244 176 G HA3 -0.238 3.723 3.960 0.001 0.000 0.244 176 G C -0.436 174.476 174.900 0.019 0.000 1.005 176 G CA 0.155 45.224 45.100 -0.050 0.000 0.713 176 G HN 0.154 nan 8.290 nan 0.000 0.515 177 L N 0.661 121.946 121.223 0.103 0.000 2.408 177 L HA 0.527 4.868 4.340 0.001 0.000 0.268 177 L C 0.098 177.061 176.870 0.154 0.000 0.986 177 L CA -1.289 53.626 54.840 0.124 0.000 0.820 177 L CB 1.810 43.957 42.059 0.147 0.000 1.303 177 L HN 0.280 nan 8.230 nan 0.000 0.411 178 D N 2.222 122.713 120.400 0.152 0.000 2.423 178 D HA -0.108 4.533 4.640 0.001 0.000 0.238 178 D C 0.724 177.240 176.300 0.359 0.000 1.142 178 D CA -0.173 53.962 54.000 0.225 0.000 0.884 178 D CB 0.925 41.840 40.800 0.191 0.000 1.199 178 D HN 0.638 nan 8.370 nan 0.000 0.438 179 W N 4.358 125.755 121.300 0.161 0.000 2.424 179 W HA -0.068 4.592 4.660 0.001 0.000 0.264 179 W C 1.011 177.652 176.519 0.203 0.000 1.229 179 W CA 0.235 57.747 57.345 0.277 0.000 1.208 179 W CB -0.922 28.750 29.460 0.353 0.000 1.127 179 W HN 0.404 nan 8.180 nan 0.000 0.588 180 K N 0.251 120.764 120.400 0.188 0.000 2.379 180 K HA 0.158 4.479 4.320 0.001 0.000 0.194 180 K C 1.965 178.534 176.600 -0.050 0.000 1.031 180 K CA 0.388 56.632 56.287 -0.073 0.000 1.037 180 K CB 0.043 32.387 32.500 -0.259 0.000 0.824 180 K HN 0.170 nan 8.250 nan 0.000 0.516 181 L N 0.520 121.732 121.223 -0.019 0.000 2.513 181 L HA 0.154 4.494 4.340 0.001 0.000 0.222 181 L C 0.234 177.070 176.870 -0.057 0.000 1.096 181 L CA -0.289 54.445 54.840 -0.177 0.000 0.857 181 L CB 0.273 42.205 42.059 -0.212 0.000 1.026 181 L HN 0.106 nan 8.230 nan 0.000 0.469 182 L N 0.158 121.434 121.223 0.087 0.000 2.326 182 L HA 0.241 4.582 4.340 0.001 0.000 0.278 182 L C 0.578 177.505 176.870 0.095 0.000 1.092 182 L CA 0.122 55.016 54.840 0.091 0.000 0.810 182 L CB 1.418 43.513 42.059 0.060 0.000 1.153 182 L HN -0.119 nan 8.230 nan 0.000 0.439 183 S N 3.950 119.678 115.700 0.047 0.000 2.510 183 S HA 0.377 4.847 4.470 0.001 0.000 0.279 183 S C 1.356 175.961 174.600 0.008 0.000 1.284 183 S CA -0.040 58.183 58.200 0.039 0.000 1.059 183 S CB 0.798 64.008 63.200 0.017 0.000 0.901 183 S HN 0.954 nan 8.310 nan 0.000 0.491 184 A N 5.953 128.829 122.820 0.094 0.000 1.902 184 A HA -0.077 4.244 4.320 0.001 0.000 0.217 184 A C 2.091 179.617 177.584 -0.096 0.000 1.181 184 A CA 1.508 53.653 52.037 0.180 0.000 0.623 184 A CB -0.590 18.647 19.000 0.395 0.000 0.818 184 A HN 0.933 nan 8.150 nan 0.000 0.443 185 K N -1.123 119.009 120.400 -0.446 0.000 2.360 185 K HA -0.167 4.154 4.320 0.001 0.000 0.201 185 K C 0.837 177.273 176.600 -0.273 0.000 1.046 185 K CA 1.416 57.263 56.287 -0.734 0.000 0.940 185 K CB -0.073 32.039 32.500 -0.647 0.000 0.748 185 K HN 0.480 nan 8.250 nan 0.000 0.465 186 D N -1.243 119.071 120.400 -0.143 0.000 2.433 186 D HA 0.039 4.680 4.640 0.001 0.000 0.211 186 D C 1.094 177.392 176.300 -0.003 0.000 1.114 186 D CA 0.326 54.305 54.000 -0.035 0.000 0.837 186 D CB 0.492 41.272 40.800 -0.033 0.000 0.984 186 D HN -0.099 nan 8.370 nan 0.000 0.505 187 T N -0.319 114.154 114.554 -0.135 0.000 2.652 187 T HA -0.149 4.202 4.350 0.001 0.000 0.267 187 T C 0.257 174.931 174.700 -0.044 0.000 1.039 187 T CA 1.206 63.131 62.100 -0.292 0.000 1.153 187 T CB -0.302 68.133 68.868 -0.720 0.000 0.863 187 T HN 0.130 nan 8.240 nan 0.000 0.428 188 Y N 1.787 122.141 120.300 0.090 0.000 2.316 188 Y HA 0.461 5.012 4.550 0.001 0.000 0.331 188 Y C -0.102 175.875 175.900 0.129 0.000 1.083 188 Y CA -1.692 56.442 58.100 0.057 0.000 1.206 188 Y CB 0.189 38.634 38.460 -0.026 0.000 1.195 188 Y HN 0.199 nan 8.280 nan 0.000 0.497 189 F N -0.830 119.131 119.950 0.018 0.000 2.588 189 F HA 0.858 5.386 4.527 0.001 0.000 0.314 189 F C 0.083 175.878 175.800 -0.008 0.000 1.069 189 F CA -1.842 56.140 58.000 -0.031 0.000 0.931 189 F CB 1.265 40.175 39.000 -0.149 0.000 1.260 189 F HN 0.541 nan 8.300 nan 0.000 0.465 190 G N 1.100 109.886 108.800 -0.024 0.000 2.391 190 G HA2 0.245 4.205 3.960 0.001 0.000 0.305 190 G HA3 0.245 4.205 3.960 0.001 0.000 0.305 190 G C -0.834 174.084 174.900 0.031 0.000 1.072 190 G CA -0.504 44.566 45.100 -0.050 0.000 1.016 190 G HN 0.841 nan 8.290 nan 0.000 0.418 191 H N 2.416 121.314 119.070 -0.286 0.000 2.955 191 H HA 0.056 4.613 4.556 0.001 0.000 0.290 191 H C 0.146 175.450 175.328 -0.041 0.000 1.047 191 H CA 0.152 56.127 56.048 -0.122 0.000 1.484 191 H CB 1.446 31.087 29.762 -0.200 0.000 1.501 191 H HN 0.473 nan 8.280 nan 0.000 0.521 192 Q N 3.246 123.129 119.800 0.139 0.000 3.150 192 Q HA 0.260 4.601 4.340 0.001 0.000 0.297 192 Q C 0.440 176.479 176.000 0.065 0.000 1.382 192 Q CA -0.415 55.439 55.803 0.085 0.000 1.059 192 Q CB 0.715 29.502 28.738 0.081 0.000 1.559 192 Q HN 0.972 nan 8.270 nan 0.000 0.548 193 G N 0.776 109.616 108.800 0.066 0.000 2.462 193 G HA2 -0.163 3.797 3.960 0.001 0.000 0.685 193 G HA3 -0.163 3.797 3.960 0.001 0.000 0.685 193 G C -0.853 174.099 174.900 0.088 0.000 1.295 193 G CA -1.184 43.949 45.100 0.055 0.000 0.941 193 G HN 0.427 nan 8.290 nan 0.000 0.554 194 R N 0.075 120.640 120.500 0.108 0.000 2.801 194 R HA 0.276 4.616 4.340 0.001 0.000 0.273 194 R C 0.407 176.774 176.300 0.112 0.000 1.080 194 R CA -0.260 55.940 56.100 0.166 0.000 1.197 194 R CB 0.209 30.687 30.300 0.297 0.000 1.109 194 R HN 0.581 nan 8.270 nan 0.000 0.535 195 N N -0.258 118.508 118.700 0.110 0.000 2.487 195 N HA 0.361 5.101 4.740 0.001 0.000 0.292 195 N C -1.165 174.250 175.510 -0.159 0.000 1.108 195 N CA -0.361 52.710 53.050 0.035 0.000 0.956 195 N CB 2.019 40.568 38.487 0.104 0.000 1.176 195 N HN 0.543 nan 8.380 nan 0.000 0.484 196 A N 1.608 124.250 122.820 -0.297 0.000 2.310 196 A HA 0.360 4.680 4.320 0.001 0.000 0.304 196 A C -0.897 176.745 177.584 0.097 0.000 1.231 196 A CA -0.676 51.071 52.037 -0.484 0.000 0.799 196 A CB 0.120 18.394 19.000 -1.210 0.000 1.162 196 A HN 0.609 nan 8.150 nan 0.000 0.486 197 F N 3.619 123.633 119.950 0.107 0.000 2.502 197 F HA 0.432 4.960 4.527 0.001 0.000 0.371 197 F C 0.875 176.637 175.800 -0.063 0.000 1.083 197 F CA -0.046 57.908 58.000 -0.076 0.000 1.174 197 F CB 0.424 39.397 39.000 -0.046 0.000 1.096 197 F HN 0.738 nan 8.300 nan 0.000 0.545 198 A N 7.286 129.760 122.820 -0.577 0.000 2.488 198 A HA 0.309 4.629 4.320 0.001 0.000 0.249 198 A C -0.172 177.149 177.584 -0.438 0.000 1.083 198 A CA -0.408 51.349 52.037 -0.467 0.000 0.768 198 A CB -0.015 18.364 19.000 -1.034 0.000 1.017 198 A HN 0.889 nan 8.150 nan 0.000 0.496 199 L N 2.442 123.590 121.223 -0.125 0.000 2.783 199 L HA 0.421 4.761 4.340 0.001 0.000 0.235 199 L C 0.851 177.673 176.870 -0.081 0.000 1.260 199 L CA 0.715 55.527 54.840 -0.048 0.000 1.184 199 L CB -0.917 41.167 42.059 0.042 0.000 1.472 199 L HN 1.074 nan 8.230 nan 0.000 0.426 200 N N -0.510 118.108 118.700 -0.137 0.000 4.822 200 N HA -0.170 4.571 4.740 0.001 0.000 0.289 200 N C -0.158 175.321 175.510 -0.052 0.000 0.815 200 N CA -0.078 52.929 53.050 -0.071 0.000 0.750 200 N CB -1.981 nan 38.487 nan 0.000 1.647 200 N HN 0.374 nan 8.380 nan 0.000 0.647 201 Y N 0.159 120.384 120.300 -0.124 0.000 2.439 201 Y HA -0.113 4.438 4.550 0.001 0.000 0.292 201 Y C 2.344 178.221 175.900 -0.039 0.000 1.130 201 Y CA 1.617 59.652 58.100 -0.108 0.000 1.254 201 Y CB 0.492 38.852 38.460 -0.168 0.000 1.000 201 Y HN 0.874 nan 8.280 nan 0.000 0.554 202 D N -1.423 119.059 120.400 0.137 0.000 2.264 202 D HA -0.148 4.492 4.640 0.001 0.000 0.208 202 D C 1.823 178.169 176.300 0.076 0.000 0.966 202 D CA 1.214 55.269 54.000 0.093 0.000 0.864 202 D CB -0.546 40.288 40.800 0.056 0.000 0.933 202 D HN 0.144 nan 8.370 nan 0.000 0.499 203 S N -0.172 115.565 115.700 0.060 0.000 2.402 203 S HA -0.055 4.415 4.470 0.001 0.000 0.229 203 S C 2.203 176.847 174.600 0.073 0.000 1.021 203 S CA 0.644 58.869 58.200 0.042 0.000 0.974 203 S CB -0.086 63.124 63.200 0.016 0.000 0.800 203 S HN 0.202 nan 8.310 nan 0.000 0.484 204 V N 1.179 121.166 119.914 0.121 0.000 2.453 204 V HA -0.074 4.047 4.120 0.001 0.000 0.247 204 V C 2.263 178.459 176.094 0.170 0.000 1.048 204 V CA 1.107 63.506 62.300 0.165 0.000 1.049 204 V CB -0.608 31.370 31.823 0.259 0.000 0.672 204 V HN 0.319 nan 8.190 nan 0.000 0.457 205 V N -0.326 119.684 119.914 0.159 0.000 2.295 205 V HA -0.246 3.875 4.120 0.001 0.000 0.246 205 V C 2.620 178.771 176.094 0.095 0.000 1.049 205 V CA 1.756 64.136 62.300 0.133 0.000 1.024 205 V CB -0.634 31.251 31.823 0.104 0.000 0.648 205 V HN 0.506 nan 8.190 nan 0.000 0.447 206 Q N -0.193 119.645 119.800 0.063 0.000 2.079 206 Q HA -0.190 4.151 4.340 0.001 0.000 0.200 206 Q C 2.356 178.360 176.000 0.007 0.000 0.974 206 Q CA 1.687 57.501 55.803 0.019 0.000 0.840 206 Q CB -0.480 28.262 28.738 0.008 0.000 0.898 206 Q HN 0.631 nan 8.270 nan 0.000 0.430 207 R N 0.570 121.093 120.500 0.039 0.000 2.083 207 R HA -0.103 4.238 4.340 0.001 0.000 0.237 207 R C 2.266 178.600 176.300 0.056 0.000 1.137 207 R CA 1.264 57.387 56.100 0.039 0.000 0.951 207 R CB -0.231 30.106 30.300 0.061 0.000 0.851 207 R HN 0.205 nan 8.270 nan 0.000 0.434 208 I N 0.698 121.339 120.570 0.118 0.000 2.252 208 I HA -0.174 3.996 4.170 0.001 0.000 0.245 208 I C 2.594 178.784 176.117 0.121 0.000 1.102 208 I CA 1.122 62.532 61.300 0.183 0.000 1.385 208 I CB -0.447 37.721 38.000 0.281 0.000 1.064 208 I HN 0.305 nan 8.210 nan 0.000 0.414 209 A N 0.293 123.128 122.820 0.026 0.000 1.972 209 A HA -0.214 4.107 4.320 0.001 0.000 0.219 209 A C 2.083 179.274 177.584 -0.654 0.000 1.169 209 A CA 1.394 53.297 52.037 -0.223 0.000 0.635 209 A CB -0.504 18.440 19.000 -0.094 0.000 0.810 209 A HN 0.526 nan 8.150 nan 0.000 0.446 210 Q N 0.020 119.615 119.800 -0.342 0.000 2.280 210 Q HA 0.050 4.391 4.340 0.001 0.000 0.202 210 Q C 1.316 177.154 176.000 -0.270 0.000 0.903 210 Q CA 0.557 56.160 55.803 -0.333 0.000 0.948 210 Q CB 0.052 28.685 28.738 -0.175 0.000 1.058 210 Q HN 0.764 nan 8.270 nan 0.000 0.493 211 S N -0.254 115.313 115.700 -0.221 0.000 2.556 211 S HA 0.151 4.621 4.470 0.001 0.000 0.216 211 S C 0.128 174.758 174.600 0.051 0.000 0.970 211 S CA -0.595 57.599 58.200 -0.010 0.000 0.912 211 S CB -0.167 63.111 63.200 0.129 0.000 0.790 211 S HN 0.340 nan 8.310 nan 0.000 0.504 212 F N -1.740 118.074 119.950 -0.227 0.000 2.643 212 F HA 0.819 5.346 4.527 0.001 0.000 0.314 212 F C -3.423 171.947 175.800 -0.717 0.000 1.096 212 F CA -3.087 54.522 58.000 -0.651 0.000 0.953 212 F CB -0.245 38.471 39.000 -0.474 0.000 1.345 212 F HN -0.306 nan 8.300 nan 0.000 0.468 213 P HA -0.007 nan 4.420 nan 0.000 0.257 213 P C 0.421 177.566 177.300 -0.259 0.000 1.162 213 P CA 0.443 63.133 63.100 -0.683 0.000 0.762 213 P CB 0.566 31.531 31.700 -1.225 0.000 0.753 214 Q N 3.306 122.981 119.800 -0.208 0.000 2.061 214 Q HA -0.200 4.140 4.340 0.001 0.000 0.204 214 Q C 1.681 177.710 176.000 0.049 0.000 0.984 214 Q CA 1.744 57.488 55.803 -0.099 0.000 0.846 214 Q CB -0.449 28.229 28.738 -0.099 0.000 0.902 214 Q HN 0.631 nan 8.270 nan 0.000 0.421 215 N N -0.660 118.081 118.700 0.068 0.000 2.519 215 N HA -0.185 4.556 4.740 0.001 0.000 0.186 215 N C 1.149 176.830 175.510 0.284 0.000 1.062 215 N CA 0.788 53.925 53.050 0.145 0.000 0.910 215 N CB -0.473 38.093 38.487 0.131 0.000 0.958 215 N HN 0.265 nan 8.380 nan 0.000 0.445 216 W N 0.864 122.202 121.300 0.062 0.000 2.519 216 W HA 0.254 4.914 4.660 0.001 0.000 0.266 216 W C 0.560 177.120 176.519 0.069 0.000 1.253 216 W CA -0.288 57.097 57.345 0.067 0.000 1.274 216 W CB -0.631 28.915 29.460 0.144 0.000 1.114 216 W HN 0.009 nan 8.180 nan 0.000 0.596 217 L N 1.573 122.992 121.223 0.327 0.000 2.290 217 L HA 0.204 4.544 4.340 0.001 0.000 0.284 217 L C 0.033 176.967 176.870 0.107 0.000 1.078 217 L CA 0.248 55.214 54.840 0.209 0.000 0.815 217 L CB 0.572 42.746 42.059 0.192 0.000 1.162 217 L HN -0.300 nan 8.230 nan 0.000 0.435 218 K N 6.373 126.811 120.400 0.063 0.000 2.575 218 K HA 0.422 4.742 4.320 0.001 0.000 0.236 218 K C -1.011 175.603 176.600 0.025 0.000 0.976 218 K CA -0.460 55.851 56.287 0.040 0.000 0.985 218 K CB 1.029 33.543 32.500 0.023 0.000 1.198 218 K HN 0.542 nan 8.250 nan 0.000 0.464 219 L N 0.601 121.839 121.223 0.025 0.000 2.479 219 L HA 0.195 4.536 4.340 0.001 0.000 0.249 219 L C 1.011 177.878 176.870 -0.006 0.000 1.178 219 L CA -0.250 54.594 54.840 0.007 0.000 0.811 219 L CB 0.864 42.931 42.059 0.013 0.000 1.187 219 L HN 0.731 nan 8.230 nan 0.000 0.480 220 S N -0.985 114.698 115.700 -0.029 0.000 3.402 220 S HA -0.208 4.263 4.470 0.001 0.000 0.329 220 S C -0.018 174.562 174.600 -0.033 0.000 1.194 220 S CA 0.972 59.151 58.200 -0.034 0.000 0.951 220 S CB -1.313 61.883 63.200 -0.007 0.000 0.975 220 S HN 0.758 nan 8.310 nan 0.000 0.574 221 c N 2.359 120.935 118.600 -0.039 0.000 2.251 221 c HA 0.642 5.212 4.570 0.001 0.000 0.323 221 c C 0.118 174.172 174.090 -0.061 0.000 1.241 221 c CA -0.734 55.583 56.329 -0.020 0.000 1.601 221 c CB 0.583 43.107 42.510 0.023 0.000 2.251 221 c HN 0.540 nan 8.230 nan 0.000 0.488 222 E N 5.218 125.385 120.200 -0.054 0.000 2.046 222 E HA 0.384 4.735 4.350 0.001 0.000 0.279 222 E C -0.633 175.957 176.600 -0.016 0.000 0.989 222 E CA -0.340 56.021 56.400 -0.064 0.000 0.798 222 E CB 1.152 30.849 29.700 -0.005 0.000 1.086 222 E HN 0.728 nan 8.360 nan 0.000 0.399 223 V N 6.115 126.014 119.914 -0.024 0.000 2.529 223 V HA -0.063 4.058 4.120 0.001 0.000 0.292 223 V C 1.235 177.313 176.094 -0.027 0.000 1.028 223 V CA 0.751 63.037 62.300 -0.024 0.000 1.074 223 V CB 0.760 32.559 31.823 -0.040 0.000 0.958 223 V HN 0.769 nan 8.190 nan 0.000 0.481 224 K N 2.535 122.910 120.400 -0.041 0.000 2.380 224 K HA 0.309 4.629 4.320 0.001 0.000 0.198 224 K C 0.316 176.858 176.600 -0.097 0.000 1.070 224 K CA 0.292 56.551 56.287 -0.047 0.000 1.040 224 K CB 0.776 33.261 32.500 -0.024 0.000 0.903 224 K HN 0.679 nan 8.250 nan 0.000 0.549 225 S N 0.143 115.762 115.700 -0.135 0.000 2.552 225 S HA 0.566 5.036 4.470 0.001 0.000 0.272 225 S C -1.117 173.348 174.600 -0.225 0.000 1.150 225 S CA -1.007 57.076 58.200 -0.194 0.000 0.849 225 S CB 1.147 64.276 63.200 -0.119 0.000 1.113 225 S HN 0.164 nan 8.310 nan 0.000 0.458 226 I N 1.498 121.881 120.570 -0.313 0.000 2.548 226 I HA 0.473 4.643 4.170 0.001 0.000 0.287 226 I C -0.970 175.070 176.117 -0.130 0.000 1.103 226 I CA -0.336 60.817 61.300 -0.245 0.000 1.049 226 I CB 2.613 40.391 38.000 -0.371 0.000 1.232 226 I HN 0.757 nan 8.210 nan 0.000 0.429 227 T N 4.302 118.821 114.554 -0.059 0.000 2.841 227 T HA 0.458 4.809 4.350 0.001 0.000 0.283 227 T C -0.479 174.217 174.700 -0.006 0.000 1.000 227 T CA -0.699 61.393 62.100 -0.013 0.000 0.977 227 T CB 1.918 70.774 68.868 -0.020 0.000 0.979 227 T HN 0.359 nan 8.240 nan 0.000 0.446 228 R N 2.732 123.240 120.500 0.013 0.000 2.207 228 R HA 0.331 4.672 4.340 0.001 0.000 0.334 228 R C -0.301 175.991 176.300 -0.014 0.000 1.013 228 R CA -0.383 55.714 56.100 -0.006 0.000 0.858 228 R CB 0.239 30.543 30.300 0.007 0.000 1.094 228 R HN 0.415 nan 8.270 nan 0.000 0.457 229 E N 6.364 126.547 120.200 -0.029 0.000 2.354 229 E HA 0.119 4.470 4.350 0.001 0.000 0.269 229 E C -1.647 174.937 176.600 -0.027 0.000 1.036 229 E CA -2.197 54.187 56.400 -0.027 0.000 0.876 229 E CB 0.733 30.413 29.700 -0.033 0.000 1.009 229 E HN 0.507 nan 8.360 nan 0.000 0.416 230 P HA -0.141 nan 4.420 nan 0.000 0.218 230 P C 0.404 177.689 177.300 -0.024 0.000 1.148 230 P CA 1.030 64.119 63.100 -0.018 0.000 0.822 230 P CB 0.170 31.863 31.700 -0.013 0.000 0.784 231 S N -1.170 114.514 115.700 -0.027 0.000 4.069 231 S HA 0.388 4.859 4.470 0.001 0.000 0.192 231 S C 0.708 175.282 174.600 -0.043 0.000 1.441 231 S CA -0.018 58.164 58.200 -0.030 0.000 0.994 231 S CB -1.411 61.774 63.200 -0.025 0.000 1.456 231 S HN 0.373 nan 8.310 nan 0.000 0.458 232 K N -0.846 119.523 120.400 -0.053 0.000 4.462 232 K HA -0.012 4.309 4.320 0.001 0.000 0.278 232 K C -0.010 176.529 176.600 -0.101 0.000 0.789 232 K CA 1.425 57.663 56.287 -0.081 0.000 0.765 232 K CB -2.784 nan 32.500 nan 0.000 1.839 232 K HN 1.855 nan 8.250 nan 0.000 0.418 233 N N -1.396 117.244 118.700 -0.101 0.000 2.859 233 N HA 0.734 5.475 4.740 0.001 0.000 0.250 233 N C -0.991 174.464 175.510 -0.092 0.000 1.341 233 N CA -0.026 52.963 53.050 -0.102 0.000 0.881 233 N CB 1.840 40.287 38.487 -0.066 0.000 1.516 233 N HN 0.967 nan 8.380 nan 0.000 0.503 234 V N 1.155 121.015 119.914 -0.090 0.000 2.483 234 V HA 0.694 4.815 4.120 0.001 0.000 0.297 234 V C 0.064 176.131 176.094 -0.044 0.000 1.027 234 V CA -0.573 61.685 62.300 -0.070 0.000 0.855 234 V CB 1.436 33.207 31.823 -0.086 0.000 0.995 234 V HN 0.910 nan 8.190 nan 0.000 0.424 235 T N 4.466 118.999 114.554 -0.036 0.000 2.837 235 T HA 0.657 5.008 4.350 0.001 0.000 0.285 235 T C -0.388 174.296 174.700 -0.026 0.000 0.984 235 T CA -0.293 61.793 62.100 -0.023 0.000 1.049 235 T CB 1.547 70.398 68.868 -0.029 0.000 0.947 235 T HN 0.388 nan 8.240 nan 0.000 0.472 236 V N 4.438 124.357 119.914 0.008 0.000 2.638 236 V HA 0.464 4.585 4.120 0.001 0.000 0.306 236 V C -0.531 175.579 176.094 0.026 0.000 1.052 236 V CA -1.076 61.229 62.300 0.008 0.000 0.885 236 V CB 2.075 33.921 31.823 0.037 0.000 0.999 236 V HN 0.802 nan 8.190 nan 0.000 0.424 237 N N 2.286 120.976 118.700 -0.018 0.000 2.443 237 N HA 0.403 5.144 4.740 0.001 0.000 0.269 237 N C -0.636 174.867 175.510 -0.011 0.000 0.985 237 N CA -0.305 52.728 53.050 -0.029 0.000 0.921 237 N CB 1.878 40.334 38.487 -0.051 0.000 1.195 237 N HN 0.578 nan 8.380 nan 0.000 0.492 238 c N 1.053 119.657 118.600 0.008 0.000 2.580 238 c HA 0.048 4.619 4.570 0.001 0.000 0.371 238 c C 2.155 176.240 174.090 -0.009 0.000 1.308 238 c CA -0.293 56.047 56.329 0.019 0.000 2.428 238 c CB 0.367 42.908 42.510 0.051 0.000 2.529 238 c HN 0.766 nan 8.230 nan 0.000 0.657 239 E N 0.605 120.804 120.200 -0.001 0.000 2.347 239 E HA -0.148 4.203 4.350 0.001 0.000 0.196 239 E C 0.714 177.309 176.600 -0.008 0.000 1.008 239 E CA 1.553 57.951 56.400 -0.003 0.000 0.852 239 E CB -0.491 29.216 29.700 0.013 0.000 0.783 239 E HN 0.798 nan 8.360 nan 0.000 0.505 240 D N -0.348 120.047 120.400 -0.008 0.000 2.346 240 D HA 0.122 4.763 4.640 0.001 0.000 0.248 240 D C 1.395 177.676 176.300 -0.031 0.000 1.173 240 D CA 0.537 54.529 54.000 -0.012 0.000 0.878 240 D CB 0.052 40.850 40.800 -0.004 0.000 0.919 240 D HN 0.292 nan 8.370 nan 0.000 0.513 241 G N 0.125 108.901 108.800 -0.040 0.000 2.377 241 G HA2 -0.364 3.596 3.960 0.001 0.000 0.250 241 G HA3 -0.364 3.596 3.960 0.001 0.000 0.250 241 G C 0.705 175.545 174.900 -0.100 0.000 1.039 241 G CA 0.641 45.705 45.100 -0.059 0.000 0.625 241 G HN 0.829 nan 8.290 nan 0.000 0.526 242 T N -0.523 113.955 114.554 -0.126 0.000 2.937 242 T HA 0.491 4.842 4.350 0.001 0.000 0.316 242 T C 0.177 174.683 174.700 -0.323 0.000 1.079 242 T CA 0.187 62.136 62.100 -0.252 0.000 1.131 242 T CB 2.291 70.974 68.868 -0.309 0.000 1.000 242 T HN 1.019 nan 8.240 nan 0.000 0.549 243 V N 2.868 122.524 119.914 -0.430 0.000 2.680 243 V HA 0.567 4.687 4.120 0.001 0.000 0.309 243 V C -0.999 174.789 176.094 -0.509 0.000 1.052 243 V CA -1.072 61.028 62.300 -0.333 0.000 0.908 243 V CB 1.440 33.155 31.823 -0.180 0.000 1.001 243 V HN 0.959 nan 8.190 nan 0.000 0.431 244 Y N 1.580 121.847 120.300 -0.055 0.000 2.545 244 Y HA 0.491 5.041 4.550 0.001 0.000 0.348 244 Y C 0.197 176.059 175.900 -0.063 0.000 1.002 244 Y CA -0.731 57.333 58.100 -0.060 0.000 1.039 244 Y CB 2.195 40.613 38.460 -0.070 0.000 1.271 244 Y HN 0.543 nan 8.280 nan 0.000 0.467 245 N N 1.549 120.330 118.700 0.134 0.000 2.399 245 N HA 0.740 5.480 4.740 0.001 0.000 0.280 245 N C -1.767 173.750 175.510 0.012 0.000 1.008 245 N CA -0.057 53.016 53.050 0.039 0.000 0.894 245 N CB 1.678 40.173 38.487 0.014 0.000 1.273 245 N HN 0.829 nan 8.380 nan 0.000 0.486 246 A N 2.523 125.327 122.820 -0.026 0.000 2.556 246 A HA 0.391 4.711 4.320 0.001 0.000 0.294 246 A C 0.181 177.718 177.584 -0.078 0.000 1.091 246 A CA -0.570 51.435 52.037 -0.052 0.000 0.704 246 A CB 1.261 20.218 19.000 -0.073 0.000 1.300 246 A HN 0.641 nan 8.150 nan 0.000 0.406 247 D N -0.544 119.818 120.400 -0.063 0.000 2.123 247 D HA 0.045 4.685 4.640 0.001 0.000 0.200 247 D C -0.541 175.535 176.300 -0.373 0.000 0.976 247 D CA 2.158 56.066 54.000 -0.154 0.000 0.831 247 D CB 0.046 40.863 40.800 0.028 0.000 0.974 247 D HN 0.517 nan 8.370 nan 0.000 0.469 248 Y N -0.847 119.401 120.300 -0.085 0.000 2.524 248 Y HA 0.368 4.919 4.550 0.001 0.000 0.347 248 Y C -0.209 175.620 175.900 -0.119 0.000 1.005 248 Y CA -1.318 56.726 58.100 -0.094 0.000 1.025 248 Y CB 2.223 40.627 38.460 -0.092 0.000 1.275 248 Y HN -0.318 nan 8.280 nan 0.000 0.460 249 V N 0.613 120.544 119.914 0.028 0.000 2.789 249 V HA 0.708 4.829 4.120 0.001 0.000 0.311 249 V C -0.949 175.096 176.094 -0.081 0.000 1.073 249 V CA -1.014 61.254 62.300 -0.053 0.000 0.921 249 V CB 2.113 33.889 31.823 -0.078 0.000 1.009 249 V HN 0.692 nan 8.190 nan 0.000 0.426 250 I N 4.800 125.312 120.570 -0.097 0.000 2.437 250 I HA 0.455 4.626 4.170 0.001 0.000 0.279 250 I C -0.651 175.419 176.117 -0.078 0.000 1.028 250 I CA -0.358 60.878 61.300 -0.106 0.000 1.142 250 I CB 1.593 39.543 38.000 -0.083 0.000 1.266 250 I HN 0.547 nan 8.210 nan 0.000 0.461 251 I N 5.576 126.084 120.570 -0.104 0.000 2.396 251 I HA 0.082 4.252 4.170 0.001 0.000 0.289 251 I C 1.270 177.494 176.117 0.180 0.000 1.056 251 I CA 0.300 61.629 61.300 0.048 0.000 1.365 251 I CB 1.077 39.148 38.000 0.118 0.000 1.407 251 I HN 0.611 nan 8.210 nan 0.000 0.509 252 T N 2.659 117.307 114.554 0.156 0.000 3.182 252 T HA 0.222 4.572 4.350 0.001 0.000 0.277 252 T C 0.273 175.103 174.700 0.218 0.000 1.013 252 T CA -0.437 61.775 62.100 0.187 0.000 0.900 252 T CB -0.453 68.479 68.868 0.107 0.000 1.098 252 T HN 0.333 nan 8.240 nan 0.000 0.543 253 V N -0.277 119.767 119.914 0.217 0.000 2.843 253 V HA 0.454 4.574 4.120 0.001 0.000 0.305 253 V C -2.598 173.580 176.094 0.139 0.000 1.065 253 V CA -2.052 60.348 62.300 0.168 0.000 1.116 253 V CB -0.183 31.733 31.823 0.155 0.000 0.968 253 V HN 0.049 nan 8.190 nan 0.000 0.487 254 P HA 0.016 nan 4.420 nan 0.000 0.266 254 P C 0.736 177.821 177.300 -0.357 0.000 1.193 254 P CA 0.263 63.311 63.100 -0.087 0.000 0.770 254 P CB 0.345 32.018 31.700 -0.045 0.000 0.836 255 Q N 2.315 121.697 119.800 -0.697 0.000 2.112 255 Q HA -0.255 4.086 4.340 0.001 0.000 0.206 255 Q C 1.740 177.498 176.000 -0.403 0.000 0.987 255 Q CA 2.570 57.999 55.803 -0.623 0.000 0.858 255 Q CB -0.352 28.110 28.738 -0.459 0.000 0.905 255 Q HN 0.594 nan 8.270 nan 0.000 0.420 256 S N -1.057 114.132 115.700 -0.851 0.000 2.399 256 S HA -0.101 4.369 4.470 0.001 0.000 0.231 256 S C 1.893 176.275 174.600 -0.363 0.000 1.022 256 S CA 1.285 59.055 58.200 -0.718 0.000 0.983 256 S CB -0.424 62.120 63.200 -1.093 0.000 0.803 256 S HN 0.263 nan 8.310 nan 0.000 0.480 257 V N 1.419 121.172 119.914 -0.268 0.000 2.407 257 V HA 0.026 4.147 4.120 0.001 0.000 0.245 257 V C 2.422 178.478 176.094 -0.063 0.000 1.041 257 V CA 1.324 63.556 62.300 -0.114 0.000 1.040 257 V CB -0.788 31.026 31.823 -0.015 0.000 0.671 257 V HN 0.449 nan 8.190 nan 0.000 0.455 258 L N 1.028 122.235 121.223 -0.026 0.000 2.131 258 L HA -0.141 4.199 4.340 0.001 0.000 0.210 258 L C 2.168 178.967 176.870 -0.117 0.000 1.092 258 L CA 1.789 56.678 54.840 0.082 0.000 0.759 258 L CB -1.102 41.076 42.059 0.198 0.000 0.903 258 L HN 0.306 nan 8.230 nan 0.000 0.435 259 N N -0.079 118.424 118.700 -0.327 0.000 2.205 259 N HA -0.183 4.557 4.740 0.001 0.000 0.186 259 N C 1.805 177.003 175.510 -0.520 0.000 1.015 259 N CA 1.359 53.881 53.050 -0.880 0.000 0.862 259 N CB -0.170 37.954 38.487 -0.605 0.000 0.986 259 N HN 0.464 nan 8.380 nan 0.000 0.429 260 L N 0.197 121.259 121.223 -0.267 0.000 2.261 260 L HA -0.127 4.214 4.340 0.001 0.000 0.216 260 L C 2.168 178.969 176.870 -0.116 0.000 1.114 260 L CA 0.602 55.344 54.840 -0.162 0.000 0.777 260 L CB -0.343 41.658 42.059 -0.096 0.000 0.910 260 L HN 0.081 nan 8.230 nan 0.000 0.440 261 S N 0.058 115.705 115.700 -0.087 0.000 2.382 261 S HA -0.115 4.355 4.470 0.001 0.000 0.228 261 S C 1.596 176.170 174.600 -0.043 0.000 1.027 261 S CA 1.326 59.542 58.200 0.026 0.000 0.991 261 S CB -0.295 63.031 63.200 0.211 0.000 0.823 261 S HN 0.438 nan 8.310 nan 0.000 0.469 262 V N 0.177 119.982 119.914 -0.181 0.000 3.451 262 V HA 0.278 4.398 4.120 0.001 0.000 0.332 262 V C -0.159 175.862 176.094 -0.122 0.000 1.198 262 V CA 0.010 62.215 62.300 -0.159 0.000 1.317 262 V CB -1.401 30.270 31.823 -0.254 0.000 1.117 262 V HN 0.287 nan 8.190 nan 0.000 0.421 263 Q N 1.242 120.988 119.800 -0.089 0.000 2.379 263 Q HA 0.535 4.875 4.340 0.001 0.000 0.278 263 Q C -2.784 173.194 176.000 -0.037 0.000 1.068 263 Q CA -1.848 53.916 55.803 -0.066 0.000 0.816 263 Q CB 3.101 31.788 28.738 -0.084 0.000 1.387 263 Q HN 0.224 nan 8.270 nan 0.000 0.413 264 P HA 0.051 nan 4.420 nan 0.000 0.273 264 P C -0.761 176.527 177.300 -0.019 0.000 1.250 264 P CA 0.003 63.093 63.100 -0.017 0.000 0.793 264 P CB 0.631 32.323 31.700 -0.013 0.000 1.011 265 E N -1.343 118.848 120.200 -0.014 0.000 7.438 265 E HA -0.058 4.293 4.350 0.001 0.000 0.230 265 E C -0.196 176.395 176.600 -0.016 0.000 0.890 265 E CA 1.055 57.446 56.400 -0.015 0.000 1.606 265 E CB -1.531 28.158 29.700 -0.019 0.000 0.905 265 E HN 0.561 nan 8.360 nan 0.000 0.266 266 K N 4.205 124.597 120.400 -0.013 0.000 2.361 266 K HA 0.190 4.511 4.320 0.001 0.000 0.194 266 K C 1.128 177.721 176.600 -0.012 0.000 1.032 266 K CA 0.769 57.049 56.287 -0.012 0.000 1.048 266 K CB -0.102 32.391 32.500 -0.011 0.000 0.842 266 K HN 0.577 nan 8.250 nan 0.000 0.526 267 N N 1.151 119.843 118.700 -0.013 0.000 2.906 267 N HA 0.146 4.887 4.740 0.001 0.000 0.282 267 N C -1.097 174.402 175.510 -0.018 0.000 1.293 267 N CA -0.197 52.845 53.050 -0.012 0.000 1.059 267 N CB -0.309 38.171 38.487 -0.012 0.000 1.388 267 N HN 0.313 nan 8.380 nan 0.000 0.533 268 L N 1.672 122.883 121.223 -0.020 0.000 2.305 268 L HA 0.415 4.756 4.340 0.001 0.000 0.284 268 L C 0.201 177.053 176.870 -0.031 0.000 1.013 268 L CA -0.936 53.883 54.840 -0.035 0.000 0.819 268 L CB 1.634 43.667 42.059 -0.042 0.000 1.227 268 L HN 0.073 nan 8.230 nan 0.000 0.417 269 R N 2.047 122.511 120.500 -0.059 0.000 2.504 269 R HA 0.206 4.547 4.340 0.001 0.000 0.291 269 R C 1.193 177.454 176.300 -0.065 0.000 0.974 269 R CA 1.317 57.376 56.100 -0.069 0.000 1.077 269 R CB 0.045 30.214 30.300 -0.218 0.000 0.926 269 R HN 0.958 nan 8.270 nan 0.000 0.407 270 G N 2.238 111.140 108.800 0.169 0.000 2.284 270 G HA2 -0.361 3.599 3.960 0.001 0.000 0.230 270 G HA3 -0.361 3.599 3.960 0.001 0.000 0.230 270 G C 0.268 175.239 174.900 0.118 0.000 1.021 270 G CA 0.118 45.368 45.100 0.251 0.000 0.619 270 G HN 0.609 nan 8.290 nan 0.000 0.510 271 R N 1.045 121.574 120.500 0.048 0.000 2.489 271 R HA 0.495 4.836 4.340 0.001 0.000 0.287 271 R C 0.007 176.317 176.300 0.017 0.000 1.053 271 R CA -0.075 56.041 56.100 0.026 0.000 1.036 271 R CB 0.002 30.300 30.300 -0.002 0.000 0.966 271 R HN 0.333 nan 8.270 nan 0.000 0.432 272 I N 3.157 123.736 120.570 0.014 0.000 2.377 272 I HA 0.151 4.321 4.170 0.001 0.000 0.293 272 I C -0.210 175.835 176.117 -0.120 0.000 0.987 272 I CA -0.789 60.445 61.300 -0.110 0.000 1.185 272 I CB 1.857 39.718 38.000 -0.231 0.000 1.341 272 I HN 0.603 nan 8.210 nan 0.000 0.455 273 E N 6.108 126.206 120.200 -0.171 0.000 2.089 273 E HA 0.330 4.681 4.350 0.001 0.000 0.284 273 E C -1.553 174.948 176.600 -0.166 0.000 1.023 273 E CA -0.136 56.215 56.400 -0.082 0.000 0.819 273 E CB 0.405 30.072 29.700 -0.055 0.000 1.076 273 E HN 0.217 nan 8.360 nan 0.000 0.396 274 F N 3.356 123.319 119.950 0.023 0.000 2.404 274 F HA 0.413 4.941 4.527 0.001 0.000 0.339 274 F C 0.395 176.207 175.800 0.020 0.000 1.105 274 F CA -0.351 57.668 58.000 0.031 0.000 1.087 274 F CB 1.440 40.477 39.000 0.061 0.000 1.143 274 F HN 0.265 nan 8.300 nan 0.000 0.491 275 Q N 4.952 124.860 119.800 0.181 0.000 2.295 275 Q HA 0.281 4.621 4.340 0.001 0.000 0.259 275 Q C -2.643 173.414 176.000 0.094 0.000 0.966 275 Q CA -2.020 53.847 55.803 0.106 0.000 0.763 275 Q CB 2.503 31.268 28.738 0.047 0.000 1.283 275 Q HN 0.281 nan 8.270 nan 0.000 0.445 276 P HA 0.180 nan 4.420 nan 0.000 0.272 276 P C -2.457 174.921 177.300 0.130 0.000 1.230 276 P CA -1.065 62.086 63.100 0.085 0.000 0.788 276 P CB 0.046 31.780 31.700 0.056 0.000 0.949 277 P HA 0.064 nan 4.420 nan 0.000 0.270 277 P C 0.109 177.439 177.300 0.050 0.000 1.223 277 P CA 0.037 63.206 63.100 0.115 0.000 0.785 277 P CB 0.490 32.233 31.700 0.071 0.000 0.923 278 L N 1.490 122.698 121.223 -0.025 0.000 2.578 278 L HA -0.017 4.323 4.340 0.001 0.000 0.279 278 L C 1.451 178.299 176.870 -0.036 0.000 1.227 278 L CA 0.321 55.093 54.840 -0.112 0.000 0.900 278 L CB -0.596 41.343 42.059 -0.200 0.000 1.144 278 L HN 0.331 nan 8.230 nan 0.000 0.496 279 K N 5.238 125.623 120.400 -0.024 0.000 2.561 279 K HA -0.065 4.255 4.320 0.001 0.000 0.280 279 K C -1.245 175.350 176.600 -0.010 0.000 0.975 279 K CA -0.905 55.378 56.287 -0.008 0.000 1.024 279 K CB 0.247 32.745 32.500 -0.004 0.000 0.883 279 K HN 0.411 nan 8.250 nan 0.000 0.496 280 P HA -0.195 nan 4.420 nan 0.000 0.217 280 P C 1.251 178.548 177.300 -0.006 0.000 1.151 280 P CA 1.162 64.263 63.100 0.002 0.000 0.849 280 P CB 0.081 31.783 31.700 0.004 0.000 0.787 281 V N -0.279 119.623 119.914 -0.019 0.000 2.594 281 V HA -0.200 3.921 4.120 0.001 0.000 0.253 281 V C 2.587 178.640 176.094 -0.069 0.000 1.069 281 V CA 1.437 63.715 62.300 -0.037 0.000 1.082 281 V CB -0.870 30.931 31.823 -0.037 0.000 0.680 281 V HN 0.052 nan 8.190 nan 0.000 0.469 282 I N -0.911 119.616 120.570 -0.071 0.000 2.339 282 I HA -0.163 4.008 4.170 0.001 0.000 0.245 282 I C 2.627 178.750 176.117 0.011 0.000 1.096 282 I CA 0.947 62.173 61.300 -0.124 0.000 1.408 282 I CB -0.354 37.555 38.000 -0.152 0.000 1.092 282 I HN 0.311 nan 8.210 nan 0.000 0.423 283 Q N 0.836 120.694 119.800 0.096 0.000 2.061 283 Q HA -0.243 4.098 4.340 0.001 0.000 0.204 283 Q C 1.663 177.797 176.000 0.222 0.000 0.984 283 Q CA 1.679 57.608 55.803 0.209 0.000 0.846 283 Q CB -0.272 28.508 28.738 0.069 0.000 0.902 283 Q HN 0.489 nan 8.270 nan 0.000 0.421 284 D N 0.605 121.052 120.400 0.078 0.000 2.219 284 D HA -0.088 4.553 4.640 0.001 0.000 0.205 284 D C 1.697 177.999 176.300 0.003 0.000 0.970 284 D CA 1.107 55.133 54.000 0.043 0.000 0.851 284 D CB -0.199 40.608 40.800 0.012 0.000 0.943 284 D HN 0.258 nan 8.370 nan 0.000 0.488 285 A N 0.049 122.820 122.820 -0.083 0.000 2.070 285 A HA -0.139 4.182 4.320 0.001 0.000 0.220 285 A C 1.775 179.197 177.584 -0.270 0.000 1.159 285 A CA 0.686 52.601 52.037 -0.205 0.000 0.656 285 A CB -0.945 17.861 19.000 -0.323 0.000 0.800 285 A HN 0.173 nan 8.150 nan 0.000 0.453 286 F N 0.240 120.102 119.950 -0.147 0.000 2.502 286 F HA -0.072 4.455 4.527 0.001 0.000 0.298 286 F C 1.478 177.131 175.800 -0.245 0.000 1.111 286 F CA 1.000 58.876 58.000 -0.207 0.000 1.445 286 F CB 0.108 38.998 39.000 -0.182 0.000 1.081 286 F HN 0.212 nan 8.300 nan 0.000 0.558 287 D N -0.424 119.989 120.400 0.020 0.000 2.347 287 D HA -0.028 4.613 4.640 0.001 0.000 0.213 287 D C 1.449 177.775 176.300 0.043 0.000 0.985 287 D CA 0.697 54.718 54.000 0.035 0.000 0.879 287 D CB -0.020 40.819 40.800 0.066 0.000 0.919 287 D HN 0.164 nan 8.370 nan 0.000 0.526 288 K N 0.311 120.689 120.400 -0.036 0.000 2.514 288 K HA 0.251 4.572 4.320 0.001 0.000 0.207 288 K C -0.147 176.427 176.600 -0.042 0.000 1.035 288 K CA -0.470 55.820 56.287 0.006 0.000 1.113 288 K CB 1.370 33.865 32.500 -0.009 0.000 0.846 288 K HN 0.074 nan 8.250 nan 0.000 0.491 289 I N -0.536 119.909 120.570 -0.209 0.000 2.785 289 I HA 0.251 4.422 4.170 0.001 0.000 0.293 289 I C -1.376 174.421 176.117 -0.534 0.000 1.446 289 I CA -0.474 60.709 61.300 -0.195 0.000 1.028 289 I CB 1.471 39.367 38.000 -0.173 0.000 1.349 289 I HN 0.099 nan 8.210 nan 0.000 0.438 290 H N 4.894 123.804 119.070 -0.267 0.000 3.196 290 H HA 0.692 5.249 4.556 0.001 0.000 0.303 290 H C -1.630 173.652 175.328 -0.076 0.000 1.605 290 H CA -0.471 55.362 56.048 -0.359 0.000 1.351 290 H CB 1.074 30.123 29.762 -1.188 0.000 1.860 290 H HN 0.388 nan 8.280 nan 0.000 0.697 291 F N 0.467 120.326 119.950 -0.152 0.000 2.529 291 F HA 0.571 5.099 4.527 0.001 0.000 0.320 291 F C 0.523 176.303 175.800 -0.032 0.000 1.118 291 F CA -0.544 57.407 58.000 -0.082 0.000 0.915 291 F CB 1.515 40.478 39.000 -0.061 0.000 1.161 291 F HN 0.584 nan 8.300 nan 0.000 0.445 292 G N 1.671 110.248 108.800 -0.372 0.000 2.522 292 G HA2 0.573 4.533 3.960 0.001 0.000 0.304 292 G HA3 0.573 4.533 3.960 0.001 0.000 0.304 292 G C -1.278 173.424 174.900 -0.331 0.000 1.210 292 G CA -0.516 44.427 45.100 -0.262 0.000 0.960 292 G HN 0.908 nan 8.290 nan 0.000 0.497 293 A N 0.524 123.233 122.820 -0.184 0.000 3.204 293 A HA 0.512 4.832 4.320 0.001 0.000 0.327 293 A C -0.352 177.167 177.584 -0.109 0.000 0.998 293 A CA -0.451 51.516 52.037 -0.116 0.000 0.891 293 A CB 0.086 19.099 19.000 0.021 0.000 1.061 293 A HN 0.628 nan 8.150 nan 0.000 0.478 294 L N 1.597 122.675 121.223 -0.243 0.000 2.416 294 L HA 0.632 4.972 4.340 0.001 0.000 0.272 294 L C 0.586 177.476 176.870 0.033 0.000 1.161 294 L CA 0.818 55.599 54.840 -0.098 0.000 0.845 294 L CB 0.939 42.918 42.059 -0.134 0.000 1.119 294 L HN 0.477 nan 8.230 nan 0.000 0.464 295 G N 3.956 112.808 108.800 0.086 0.000 2.714 295 G HA2 0.631 4.592 3.960 0.001 0.000 0.292 295 G HA3 0.631 4.592 3.960 0.001 0.000 0.292 295 G C -1.501 173.451 174.900 0.087 0.000 1.308 295 G CA -0.751 44.421 45.100 0.120 0.000 0.964 295 G HN 0.535 nan 8.290 nan 0.000 0.484 296 K N -0.620 119.807 120.400 0.046 0.000 2.469 296 K HA 0.640 4.961 4.320 0.001 0.000 0.254 296 K C -1.597 174.907 176.600 -0.160 0.000 0.939 296 K CA -0.763 55.503 56.287 -0.034 0.000 0.812 296 K CB 3.110 35.623 32.500 0.022 0.000 1.301 296 K HN 0.252 nan 8.250 nan 0.000 0.433 297 V N 3.803 123.551 119.914 -0.277 0.000 2.569 297 V HA 0.379 4.500 4.120 0.001 0.000 0.301 297 V C -0.774 174.971 176.094 -0.583 0.000 1.044 297 V CA -0.910 61.093 62.300 -0.494 0.000 0.874 297 V CB 1.675 33.074 31.823 -0.706 0.000 1.002 297 V HN 0.618 nan 8.190 nan 0.000 0.424 298 I N 4.794 124.994 120.570 -0.617 0.000 2.321 298 I HA 0.462 4.633 4.170 0.001 0.000 0.291 298 I C -0.649 175.066 176.117 -0.669 0.000 0.998 298 I CA -0.321 60.641 61.300 -0.563 0.000 1.227 298 I CB 1.095 38.701 38.000 -0.656 0.000 1.368 298 I HN 0.422 nan 8.210 nan 0.000 0.466 299 F N 4.481 124.322 119.950 -0.183 0.000 2.361 299 F HA 0.346 4.874 4.527 0.001 0.000 0.364 299 F C 0.783 176.385 175.800 -0.330 0.000 1.120 299 F CA -0.583 57.272 58.000 -0.241 0.000 1.102 299 F CB 0.876 39.831 39.000 -0.075 0.000 1.183 299 F HN 0.386 nan 8.300 nan 0.000 0.476 300 E N 4.032 124.070 120.200 -0.269 0.000 2.146 300 E HA 0.364 4.714 4.350 0.001 0.000 0.282 300 E C -1.058 175.320 176.600 -0.371 0.000 0.989 300 E CA -0.497 55.807 56.400 -0.160 0.000 0.799 300 E CB 1.250 30.929 29.700 -0.035 0.000 1.088 300 E HN 0.339 nan 8.360 nan 0.000 0.397 301 F N 1.122 121.084 119.950 0.020 0.000 2.470 301 F HA 0.127 4.655 4.527 0.001 0.000 0.329 301 F C 1.705 177.496 175.800 -0.015 0.000 1.072 301 F CA -0.751 57.255 58.000 0.010 0.000 0.989 301 F CB 1.190 40.287 39.000 0.162 0.000 1.193 301 F HN 0.429 nan 8.300 nan 0.000 0.481 302 E N 1.281 121.554 120.200 0.121 0.000 2.070 302 E HA -0.185 4.166 4.350 0.001 0.000 0.197 302 E C -0.237 176.450 176.600 0.145 0.000 1.004 302 E CA 1.821 58.286 56.400 0.108 0.000 0.805 302 E CB 0.021 29.768 29.700 0.078 0.000 0.744 302 E HN 0.695 nan 8.360 nan 0.000 0.451 303 E N -2.226 118.028 120.200 0.089 0.000 2.423 303 E HA 0.228 4.579 4.350 0.001 0.000 0.280 303 E C -1.352 175.077 176.600 -0.286 0.000 1.030 303 E CA -0.780 55.595 56.400 -0.043 0.000 0.812 303 E CB 0.516 30.183 29.700 -0.055 0.000 1.313 303 E HN 0.093 nan 8.360 nan 0.000 0.456 304 C N 1.963 120.947 119.300 -0.525 0.000 2.566 304 C HA 0.557 5.017 4.460 0.001 0.000 0.393 304 C C 0.827 175.257 174.990 -0.934 0.000 1.309 304 C CA 0.050 58.318 59.018 -1.250 0.000 1.801 304 C CB -1.452 25.671 27.740 -1.029 0.000 2.493 304 C HN 0.700 nan 8.230 nan 0.000 0.575 305 C N 5.470 124.161 119.300 -1.014 0.000 3.158 305 C HA 0.675 5.136 4.460 0.001 0.000 0.228 305 C C -0.751 174.133 174.990 -0.176 0.000 2.110 305 C CA -0.784 57.985 59.018 -0.414 0.000 1.407 305 C CB -2.299 25.329 27.740 -0.186 0.000 2.635 305 C HN 1.012 nan 8.230 nan 0.000 0.509 306 W N -0.641 120.616 121.300 -0.072 0.000 3.047 306 W HA 0.759 5.419 4.660 0.001 0.000 0.341 306 W C -0.377 176.130 176.519 -0.021 0.000 1.225 306 W CA -1.220 56.096 57.345 -0.049 0.000 1.150 306 W CB 0.215 29.645 29.460 -0.049 0.000 1.470 306 W HN 0.136 nan 8.180 nan 0.000 0.578 307 S N 1.320 117.197 115.700 0.295 0.000 2.549 307 S HA 0.132 4.603 4.470 0.001 0.000 0.283 307 S C 0.040 174.794 174.600 0.258 0.000 1.320 307 S CA -0.123 58.187 58.200 0.182 0.000 1.058 307 S CB -0.014 63.254 63.200 0.112 0.000 0.882 307 S HN 0.491 nan 8.310 nan 0.000 0.498 308 N N 3.764 122.556 118.700 0.154 0.000 2.671 308 N HA 0.101 4.842 4.740 0.001 0.000 0.303 308 N C 0.953 176.512 175.510 0.081 0.000 1.351 308 N CA -0.106 53.036 53.050 0.153 0.000 0.991 308 N CB 0.583 39.135 38.487 0.108 0.000 1.307 308 N HN 0.816 nan 8.380 nan 0.000 0.512 309 E N -0.147 120.090 120.200 0.062 0.000 2.072 309 E HA -0.060 4.291 4.350 0.001 0.000 0.191 309 E C 0.013 176.616 176.600 0.005 0.000 0.985 309 E CA 0.701 57.116 56.400 0.024 0.000 0.801 309 E CB 0.358 30.065 29.700 0.013 0.000 0.750 309 E HN 0.116 nan 8.360 nan 0.000 0.452 310 S N -1.846 113.851 115.700 -0.005 0.000 2.618 310 S HA 0.242 4.713 4.470 0.001 0.000 0.277 310 S C 0.099 174.674 174.600 -0.041 0.000 1.138 310 S CA -0.210 57.965 58.200 -0.042 0.000 0.844 310 S CB 1.770 64.912 63.200 -0.097 0.000 1.127 310 S HN 0.165 nan 8.310 nan 0.000 0.474 311 S N 1.378 117.042 115.700 -0.061 0.000 2.540 311 S HA 0.391 4.862 4.470 0.001 0.000 0.218 311 S C -0.159 174.366 174.600 -0.125 0.000 0.977 311 S CA -0.300 57.869 58.200 -0.051 0.000 0.918 311 S CB -0.104 63.085 63.200 -0.019 0.000 0.806 311 S HN 0.464 nan 8.310 nan 0.000 0.496 312 K N 1.579 121.839 120.400 -0.233 0.000 2.450 312 K HA 0.585 4.905 4.320 0.001 0.000 0.257 312 K C -1.352 175.021 176.600 -0.378 0.000 0.953 312 K CA -0.227 55.832 56.287 -0.379 0.000 0.844 312 K CB 1.830 33.770 32.500 -0.933 0.000 1.103 312 K HN 0.277 nan 8.250 nan 0.000 0.429 313 I N 1.953 122.426 120.570 -0.161 0.000 2.569 313 I HA 0.344 4.515 4.170 0.001 0.000 0.290 313 I C -0.673 175.561 176.117 0.196 0.000 1.088 313 I CA -1.179 60.061 61.300 -0.099 0.000 1.047 313 I CB 2.337 40.201 38.000 -0.227 0.000 1.237 313 I HN 0.046 nan 8.210 nan 0.000 0.421 314 V N 3.712 123.734 119.914 0.179 0.000 2.487 314 V HA 0.446 4.567 4.120 0.001 0.000 0.298 314 V C 0.037 176.338 176.094 0.344 0.000 1.028 314 V CA -0.613 61.922 62.300 0.393 0.000 0.860 314 V CB 2.137 34.244 31.823 0.474 0.000 0.991 314 V HN 0.837 nan 8.190 nan 0.000 0.427 315 T N 3.891 118.658 114.554 0.355 0.000 2.771 315 T HA 0.688 5.039 4.350 0.001 0.000 0.291 315 T C -0.329 174.575 174.700 0.339 0.000 0.954 315 T CA -0.543 61.733 62.100 0.294 0.000 1.045 315 T CB 0.624 69.573 68.868 0.135 0.000 0.917 315 T HN 0.353 nan 8.240 nan 0.000 0.484 316 L N 2.744 124.190 121.223 0.370 0.000 2.371 316 L HA 0.564 4.905 4.340 0.001 0.000 0.272 316 L C 1.166 178.259 176.870 0.373 0.000 1.124 316 L CA -1.049 53.975 54.840 0.306 0.000 0.816 316 L CB 0.523 42.722 42.059 0.234 0.000 1.129 316 L HN 0.890 nan 8.230 nan 0.000 0.448 317 A N 2.789 125.761 122.820 0.253 0.000 2.346 317 A HA 0.222 4.543 4.320 0.001 0.000 0.252 317 A C 0.056 177.779 177.584 0.233 0.000 1.089 317 A CA -0.557 51.645 52.037 0.275 0.000 0.797 317 A CB 0.038 19.122 19.000 0.138 0.000 1.047 317 A HN 0.771 nan 8.150 nan 0.000 0.494 318 N N 0.499 119.323 118.700 0.207 0.000 2.454 318 N HA 0.266 5.006 4.740 0.001 0.000 0.254 318 N C 0.171 175.723 175.510 0.071 0.000 1.228 318 N CA 0.750 53.856 53.050 0.094 0.000 0.900 318 N CB 0.553 39.067 38.487 0.044 0.000 1.089 318 N HN 0.746 nan 8.380 nan 0.000 0.449 319 S N -1.012 114.724 115.700 0.059 0.000 2.709 319 S HA 0.839 5.310 4.470 0.001 0.000 0.302 319 S C -0.305 174.298 174.600 0.004 0.000 1.127 319 S CA -0.867 57.334 58.200 0.002 0.000 0.905 319 S CB 1.843 65.019 63.200 -0.041 0.000 1.151 319 S HN 0.591 nan 8.310 nan 0.000 0.510 320 T N -1.505 113.059 114.554 0.016 0.000 2.916 320 T HA 0.479 4.830 4.350 0.001 0.000 0.305 320 T C 0.004 174.741 174.700 0.060 0.000 1.119 320 T CA -0.922 61.202 62.100 0.039 0.000 1.008 320 T CB 1.291 70.198 68.868 0.065 0.000 1.129 320 T HN 0.409 nan 8.240 nan 0.000 0.480 321 N N 0.803 119.515 118.700 0.020 0.000 2.381 321 N HA -0.070 4.671 4.740 0.001 0.000 0.182 321 N C 1.302 176.825 175.510 0.023 0.000 1.025 321 N CA 0.887 53.941 53.050 0.007 0.000 0.888 321 N CB -0.107 38.373 38.487 -0.011 0.000 0.965 321 N HN 0.696 nan 8.380 nan 0.000 0.438 322 E N 0.436 120.661 120.200 0.043 0.000 2.118 322 E HA -0.130 4.221 4.350 0.001 0.000 0.195 322 E C 1.551 178.177 176.600 0.043 0.000 0.992 322 E CA 0.546 56.966 56.400 0.034 0.000 0.804 322 E CB -0.411 29.317 29.700 0.047 0.000 0.741 322 E HN 0.362 nan 8.360 nan 0.000 0.458 323 F N 0.618 120.557 119.950 -0.019 0.000 2.095 323 F HA -0.237 4.291 4.527 0.001 0.000 0.298 323 F C 1.959 177.741 175.800 -0.031 0.000 1.104 323 F CA 1.137 59.132 58.000 -0.008 0.000 1.232 323 F CB -0.448 38.559 39.000 0.011 0.000 0.987 323 F HN -0.138 nan 8.300 nan 0.000 0.475 324 V N 0.898 120.736 119.914 -0.127 0.000 2.282 324 V HA -0.346 3.775 4.120 0.001 0.000 0.249 324 V C 2.818 178.762 176.094 -0.250 0.000 1.057 324 V CA 2.690 64.862 62.300 -0.213 0.000 1.032 324 V CB -1.914 29.866 31.823 -0.071 0.000 0.645 324 V HN 0.574 nan 8.190 nan 0.000 0.447 325 E N -0.056 120.047 120.200 -0.162 0.000 2.085 325 E HA -0.257 4.094 4.350 0.001 0.000 0.194 325 E C 1.949 178.444 176.600 -0.176 0.000 0.994 325 E CA 2.015 58.332 56.400 -0.137 0.000 0.801 325 E CB -0.673 28.976 29.700 -0.085 0.000 0.743 325 E HN 0.676 nan 8.360 nan 0.000 0.453 326 I N 0.267 120.704 120.570 -0.222 0.000 2.286 326 I HA -0.203 3.967 4.170 0.001 0.000 0.248 326 I C 2.584 178.528 176.117 -0.287 0.000 1.115 326 I CA 1.030 62.196 61.300 -0.224 0.000 1.392 326 I CB -0.179 37.696 38.000 -0.209 0.000 1.065 326 I HN 0.210 nan 8.210 nan 0.000 0.418 327 V N 0.852 120.500 119.914 -0.443 0.000 2.358 327 V HA -0.206 3.914 4.120 0.001 0.000 0.246 327 V C 2.616 178.553 176.094 -0.262 0.000 1.047 327 V CA 1.572 63.632 62.300 -0.400 0.000 1.035 327 V CB -0.685 30.827 31.823 -0.518 0.000 0.658 327 V HN 0.361 nan 8.190 nan 0.000 0.452 328 R N 0.737 121.098 120.500 -0.232 0.000 2.120 328 R HA -0.053 4.288 4.340 0.001 0.000 0.234 328 R C 1.667 177.880 176.300 -0.146 0.000 1.123 328 R CA 1.133 57.129 56.100 -0.174 0.000 0.975 328 R CB -0.659 29.553 30.300 -0.146 0.000 0.866 328 R HN 0.557 nan 8.270 nan 0.000 0.446 329 N N 0.160 118.776 118.700 -0.139 0.000 2.299 329 N HA 0.068 4.808 4.740 0.001 0.000 0.187 329 N C 0.077 175.526 175.510 -0.103 0.000 1.099 329 N CA 0.144 53.128 53.050 -0.109 0.000 0.867 329 N CB 0.403 38.835 38.487 -0.092 0.000 0.974 329 N HN 0.039 nan 8.380 nan 0.000 0.477 330 A N 1.187 123.934 122.820 -0.121 0.000 2.450 330 A HA 0.056 4.377 4.320 0.001 0.000 0.255 330 A C 1.373 178.901 177.584 -0.093 0.000 1.096 330 A CA -0.270 51.705 52.037 -0.104 0.000 0.778 330 A CB 0.469 19.398 19.000 -0.119 0.000 1.031 330 A HN 0.312 nan 8.150 nan 0.000 0.494 331 E N 2.436 122.592 120.200 -0.073 0.000 2.107 331 E HA -0.106 4.244 4.350 0.001 0.000 0.191 331 E C 0.545 177.107 176.600 -0.063 0.000 0.982 331 E CA 1.251 57.612 56.400 -0.065 0.000 0.809 331 E CB -0.056 29.614 29.700 -0.050 0.000 0.756 331 E HN 0.923 nan 8.360 nan 0.000 0.459 332 N N -1.782 116.882 118.700 -0.060 0.000 3.308 332 N HA 0.004 4.744 4.740 0.001 0.000 0.276 332 N C 0.374 175.852 175.510 -0.053 0.000 1.533 332 N CA -0.603 52.414 53.050 -0.054 0.000 0.878 332 N CB 0.514 38.979 38.487 -0.038 0.000 1.566 332 N HN -0.018 nan 8.380 nan 0.000 0.546 333 L N 1.072 122.268 121.223 -0.045 0.000 2.131 333 L HA -0.094 4.247 4.340 0.001 0.000 0.210 333 L C 1.187 178.042 176.870 -0.026 0.000 1.092 333 L CA 2.087 56.902 54.840 -0.042 0.000 0.759 333 L CB -0.946 41.095 42.059 -0.031 0.000 0.903 333 L HN 0.594 nan 8.230 nan 0.000 0.435 334 D N -0.697 119.691 120.400 -0.019 0.000 2.078 334 D HA -0.244 4.396 4.640 0.001 0.000 0.193 334 D C 2.028 178.320 176.300 -0.013 0.000 0.990 334 D CA 1.621 55.614 54.000 -0.010 0.000 0.827 334 D CB -0.225 40.570 40.800 -0.010 0.000 0.975 334 D HN 0.508 nan 8.370 nan 0.000 0.451 335 E N -0.041 120.145 120.200 -0.023 0.000 2.118 335 E HA -0.196 4.155 4.350 0.001 0.000 0.195 335 E C 1.979 178.562 176.600 -0.029 0.000 0.992 335 E CA 0.503 56.887 56.400 -0.027 0.000 0.804 335 E CB -0.088 29.589 29.700 -0.037 0.000 0.741 335 E HN 0.120 nan 8.360 nan 0.000 0.458 336 L N 1.623 122.822 121.223 -0.039 0.000 2.012 336 L HA -0.217 4.123 4.340 0.001 0.000 0.210 336 L C 1.742 178.614 176.870 0.003 0.000 1.073 336 L CA 2.079 56.893 54.840 -0.042 0.000 0.748 336 L CB -0.561 41.459 42.059 -0.067 0.000 0.891 336 L HN 0.143 nan 8.230 nan 0.000 0.431 337 D N -0.490 119.920 120.400 0.017 0.000 2.097 337 D HA -0.165 4.475 4.640 0.001 0.000 0.195 337 D C 2.287 178.606 176.300 0.032 0.000 0.989 337 D CA 1.658 55.687 54.000 0.050 0.000 0.827 337 D CB -0.084 40.743 40.800 0.045 0.000 0.966 337 D HN 0.603 nan 8.370 nan 0.000 0.456 338 S N 0.991 116.698 115.700 0.012 0.000 2.353 338 S HA -0.180 4.291 4.470 0.001 0.000 0.222 338 S C 2.076 176.680 174.600 0.005 0.000 1.035 338 S CA 1.705 59.908 58.200 0.005 0.000 1.025 338 S CB -0.539 nan 63.200 nan 0.000 0.902 338 S HN 0.109 nan 8.310 nan 0.000 0.440 339 M N 0.460 120.059 119.600 -0.002 0.000 2.267 339 M HA 0.026 4.507 4.480 0.001 0.000 0.263 339 M C -0.066 176.244 176.300 0.016 0.000 1.063 339 M CA 0.577 55.873 55.300 -0.006 0.000 1.090 339 M CB -0.406 32.177 32.600 -0.029 0.000 1.392 339 M HN 0.260 nan 8.290 nan 0.000 0.422 340 L N 1.902 123.148 121.223 0.040 0.000 2.433 340 L HA 0.019 4.359 4.340 0.001 0.000 0.284 340 L C 1.147 178.044 176.870 0.045 0.000 1.120 340 L CA 0.203 55.088 54.840 0.075 0.000 0.879 340 L CB -0.154 41.987 42.059 0.136 0.000 1.232 340 L HN 0.369 nan 8.230 nan 0.000 0.454 341 E N 1.374 121.597 120.200 0.038 0.000 2.439 341 E HA 0.207 4.557 4.350 0.001 0.000 0.185 341 E C 0.336 176.952 176.600 0.025 0.000 0.959 341 E CA 0.051 56.464 56.400 0.021 0.000 1.481 341 E CB 0.613 30.320 29.700 0.012 0.000 2.277 341 E HN 0.420 nan 8.360 nan 0.000 0.950 350 S N 0.016 115.723 115.700 0.012 0.000 2.547 350 S HA 0.677 5.147 4.470 0.001 0.000 0.270 350 S C -0.873 173.735 174.600 0.015 0.000 1.150 350 S CA -0.305 57.899 58.200 0.008 0.000 0.850 350 S CB 1.508 64.711 63.200 0.005 0.000 1.118 350 S HN 0.620 nan 8.310 nan 0.000 0.461 351 V N 4.174 124.095 119.914 0.012 0.000 2.508 351 V HA 0.473 4.593 4.120 0.001 0.000 0.281 351 V C 0.964 177.097 176.094 0.064 0.000 1.041 351 V CA 0.448 62.774 62.300 0.043 0.000 1.016 351 V CB 0.330 32.169 31.823 0.027 0.000 0.984 351 V HN 1.000 nan 8.190 nan 0.000 0.478 352 T N 0.866 115.425 114.554 0.008 0.000 2.742 352 T HA 0.205 4.555 4.350 0.001 0.000 0.282 352 T C 1.184 175.660 174.700 -0.374 0.000 1.025 352 T CA -0.017 61.909 62.100 -0.290 0.000 1.020 352 T CB 1.266 70.022 68.868 -0.186 0.000 1.317 352 T HN 0.744 nan 8.240 nan 0.000 0.538 353 C N -1.830 116.937 119.300 -0.888 0.000 2.466 353 C HA 0.261 4.721 4.460 0.001 0.000 0.283 353 C C 1.428 176.164 174.990 -0.424 0.000 1.472 353 C CA -0.589 58.070 59.018 -0.599 0.000 1.765 353 C CB -2.254 25.020 27.740 -0.777 0.000 1.724 353 C HN 0.765 nan 8.230 nan 0.000 0.560 354 W N 0.749 122.008 121.300 -0.067 0.000 3.132 354 W HA 0.293 4.954 4.660 0.001 0.000 0.364 354 W C 2.060 178.595 176.519 0.026 0.000 1.129 354 W CA -0.206 57.141 57.345 0.003 0.000 1.815 354 W CB -0.037 29.408 29.460 -0.025 0.000 1.099 354 W HN 0.079 nan 8.180 nan 0.000 0.605 355 S N 0.598 116.409 115.700 0.184 0.000 2.527 355 S HA -0.016 4.455 4.470 0.001 0.000 0.222 355 S C 0.657 175.340 174.600 0.137 0.000 0.985 355 S CA 0.496 58.786 58.200 0.151 0.000 0.921 355 S CB -0.157 63.115 63.200 0.119 0.000 0.772 355 S HN 0.235 nan 8.310 nan 0.000 0.529 356 Q N 0.076 119.962 119.800 0.143 0.000 2.522 356 Q HA 0.408 4.748 4.340 0.001 0.000 0.285 356 Q C -3.578 172.499 176.000 0.128 0.000 0.982 356 Q CA -2.326 53.542 55.803 0.108 0.000 0.805 356 Q CB 0.687 29.494 28.738 0.116 0.000 1.457 356 Q HN -0.086 nan 8.270 nan 0.000 0.394 357 P HA 0.357 nan 4.420 nan 0.000 0.272 357 P C -0.651 176.771 177.300 0.202 0.000 1.223 357 P CA -0.215 62.984 63.100 0.164 0.000 0.784 357 P CB 0.890 32.670 31.700 0.134 0.000 0.923 358 L N 2.020 123.399 121.223 0.261 0.000 2.401 358 L HA 0.490 4.831 4.340 0.001 0.000 0.266 358 L C -0.487 176.583 176.870 0.333 0.000 0.991 358 L CA -0.957 54.018 54.840 0.225 0.000 0.818 358 L CB 2.040 44.225 42.059 0.210 0.000 1.321 358 L HN 0.281 nan 8.230 nan 0.000 0.413 359 F N 3.300 123.255 119.950 0.009 0.000 2.375 359 F HA 0.605 5.132 4.527 0.001 0.000 0.361 359 F C -1.255 174.497 175.800 -0.081 0.000 1.117 359 F CA -1.291 56.773 58.000 0.107 0.000 1.037 359 F CB 0.693 39.813 39.000 0.202 0.000 1.192 359 F HN 0.064 nan 8.300 nan 0.000 0.452 360 F N 5.287 125.121 119.950 -0.195 0.000 2.436 360 F HA 0.548 5.075 4.527 0.001 0.000 0.340 360 F C -0.302 175.158 175.800 -0.566 0.000 1.113 360 F CA -1.197 56.553 58.000 -0.416 0.000 1.022 360 F CB 1.664 40.386 39.000 -0.464 0.000 1.128 360 F HN 0.078 nan 8.300 nan 0.000 0.466 361 V N 3.212 122.946 119.914 -0.300 0.000 2.333 361 V HA 0.152 4.272 4.120 0.001 0.000 0.274 361 V C 0.159 176.238 176.094 -0.025 0.000 1.028 361 V CA -0.942 61.239 62.300 -0.199 0.000 0.851 361 V CB 0.958 32.712 31.823 -0.115 0.000 1.000 361 V HN 0.795 nan 8.190 nan 0.000 0.456 362 N N 5.031 123.703 118.700 -0.048 0.000 2.466 362 N HA 0.145 4.886 4.740 0.001 0.000 0.263 362 N C 1.022 176.665 175.510 0.223 0.000 1.178 362 N CA -0.423 52.730 53.050 0.171 0.000 0.983 362 N CB 0.490 39.023 38.487 0.078 0.000 1.331 362 N HN 0.693 nan 8.380 nan 0.000 0.500 363 L N 2.100 123.490 121.223 0.278 0.000 2.265 363 L HA -0.148 4.193 4.340 0.001 0.000 0.215 363 L C 2.535 179.521 176.870 0.192 0.000 1.117 363 L CA 0.450 55.383 54.840 0.156 0.000 0.782 363 L CB -0.411 41.771 42.059 0.205 0.000 0.914 363 L HN 0.559 nan 8.230 nan 0.000 0.441 364 S N 0.303 116.199 115.700 0.327 0.000 2.365 364 S HA -0.284 4.187 4.470 0.001 0.000 0.225 364 S C 2.104 176.800 174.600 0.159 0.000 1.039 364 S CA 1.951 60.310 58.200 0.264 0.000 1.033 364 S CB -0.040 63.397 63.200 0.395 0.000 0.887 364 S HN 0.414 nan 8.310 nan 0.000 0.447 365 K N 0.235 120.736 120.400 0.168 0.000 2.062 365 K HA -0.040 4.281 4.320 0.001 0.000 0.205 365 K C 2.242 178.879 176.600 0.062 0.000 1.051 365 K CA 1.593 57.939 56.287 0.099 0.000 0.941 365 K CB -0.302 32.253 32.500 0.093 0.000 0.719 365 K HN 0.542 nan 8.250 nan 0.000 0.440 366 S N -0.823 114.899 115.700 0.037 0.000 2.425 366 S HA -0.069 4.401 4.470 0.001 0.000 0.225 366 S C 1.745 176.355 174.600 0.016 0.000 1.024 366 S CA 1.118 59.321 58.200 0.004 0.000 0.951 366 S CB 0.104 63.245 63.200 -0.098 0.000 0.796 366 S HN 0.480 nan 8.310 nan 0.000 0.498 367 T N -4.216 110.352 114.554 0.024 0.000 3.087 367 T HA 0.553 4.903 4.350 0.001 0.000 0.283 367 T C 1.453 176.189 174.700 0.059 0.000 0.956 367 T CA 0.721 62.853 62.100 0.052 0.000 0.894 367 T CB 0.263 69.173 68.868 0.070 0.000 1.160 367 T HN 1.146 nan 8.240 nan 0.000 0.532 368 G N 1.214 110.053 108.800 0.065 0.000 2.205 368 G HA2 -0.242 3.719 3.960 0.001 0.000 0.261 368 G HA3 -0.242 3.719 3.960 0.001 0.000 0.261 368 G C 0.042 174.986 174.900 0.072 0.000 0.980 368 G CA 0.039 45.171 45.100 0.054 0.000 0.632 368 G HN 0.822 nan 8.290 nan 0.000 0.533 369 V N 1.354 121.337 119.914 0.114 0.000 2.498 369 V HA 0.609 4.729 4.120 0.001 0.000 0.279 369 V C 1.219 177.452 176.094 0.232 0.000 1.048 369 V CA 0.158 62.553 62.300 0.158 0.000 0.967 369 V CB 1.456 33.388 31.823 0.182 0.000 0.988 369 V HN 1.086 nan 8.190 nan 0.000 0.473 370 A N 4.390 127.340 122.820 0.216 0.000 3.046 370 A HA 0.490 4.811 4.320 0.001 0.000 0.259 370 A C 0.613 178.470 177.584 0.454 0.000 1.843 370 A CA 0.110 52.323 52.037 0.292 0.000 1.451 370 A CB -0.634 18.439 19.000 0.121 0.000 1.025 370 A HN 0.722 nan 8.150 nan 0.000 0.625 371 S N -0.648 115.295 115.700 0.405 0.000 2.618 371 S HA 0.738 5.208 4.470 0.001 0.000 0.277 371 S C -0.879 173.919 174.600 0.330 0.000 1.138 371 S CA -0.454 57.943 58.200 0.329 0.000 0.844 371 S CB 1.315 64.728 63.200 0.355 0.000 1.127 371 S HN 0.414 nan 8.310 nan 0.000 0.474 372 F N 1.781 121.916 119.950 0.310 0.000 2.482 372 F HA 0.496 5.023 4.527 0.001 0.000 0.331 372 F C 0.076 175.966 175.800 0.151 0.000 1.115 372 F CA -0.854 57.286 58.000 0.233 0.000 0.955 372 F CB 1.557 40.750 39.000 0.322 0.000 1.136 372 F HN 0.235 nan 8.300 nan 0.000 0.452 373 M N 6.833 126.579 119.600 0.243 0.000 2.055 373 M HA 0.368 4.848 4.480 0.001 0.000 0.346 373 M C -1.269 174.986 176.300 -0.074 0.000 1.074 373 M CA -0.312 55.016 55.300 0.046 0.000 1.009 373 M CB 0.932 33.566 32.600 0.056 0.000 1.423 373 M HN 0.688 nan 8.290 nan 0.000 0.410 374 M N 4.542 124.050 119.600 -0.154 0.000 2.318 374 M HA 0.472 4.953 4.480 0.001 0.000 0.347 374 M C -1.917 174.220 176.300 -0.271 0.000 1.175 374 M CA -0.721 54.314 55.300 -0.441 0.000 1.075 374 M CB 1.237 33.405 32.600 -0.719 0.000 1.614 374 M HN 0.637 nan 8.290 nan 0.000 0.456 375 L N 5.582 126.687 121.223 -0.198 0.000 2.334 375 L HA 0.640 4.981 4.340 0.001 0.000 0.276 375 L C -0.253 176.647 176.870 0.050 0.000 1.014 375 L CA -0.196 54.667 54.840 0.038 0.000 0.815 375 L CB 1.960 44.193 42.059 0.290 0.000 1.268 375 L HN 0.809 nan 8.230 nan 0.000 0.428 376 M N 1.439 121.084 119.600 0.076 0.000 2.691 376 M HA 0.798 5.278 4.480 0.001 0.000 0.293 376 M C -1.210 175.155 176.300 0.107 0.000 1.259 376 M CA -0.803 54.558 55.300 0.101 0.000 0.827 376 M CB 2.353 35.014 32.600 0.101 0.000 1.753 376 M HN 0.511 nan 8.290 nan 0.000 0.465 377 Q N 1.360 121.226 119.800 0.109 0.000 2.528 377 Q HA 0.805 5.146 4.340 0.001 0.000 0.289 377 Q C -1.427 174.623 176.000 0.082 0.000 1.091 377 Q CA -0.821 55.035 55.803 0.088 0.000 0.797 377 Q CB 1.770 30.572 28.738 0.106 0.000 1.466 377 Q HN 0.952 nan 8.270 nan 0.000 0.436 378 A N 1.812 124.673 122.820 0.068 0.000 2.462 378 A HA 0.404 4.725 4.320 0.001 0.000 0.243 378 A C -1.656 175.975 177.584 0.078 0.000 1.076 378 A CA -0.839 51.241 52.037 0.072 0.000 0.773 378 A CB -0.106 18.939 19.000 0.076 0.000 1.010 378 A HN 0.719 nan 8.150 nan 0.000 0.493 379 P HA -0.030 nan 4.420 nan 0.000 0.245 379 P C 1.376 178.722 177.300 0.077 0.000 1.203 379 P CA 0.118 63.258 63.100 0.066 0.000 0.792 379 P CB 0.105 31.834 31.700 0.048 0.000 0.997 380 L N 1.137 122.411 121.223 0.084 0.000 2.051 380 L HA -0.162 4.179 4.340 0.001 0.000 0.214 380 L C 2.094 179.016 176.870 0.086 0.000 1.076 380 L CA 2.389 57.282 54.840 0.090 0.000 0.758 380 L CB -1.832 40.300 42.059 0.121 0.000 0.890 380 L HN -0.085 nan 8.230 nan 0.000 0.433 381 T N 0.087 114.690 114.554 0.081 0.000 2.720 381 T HA -0.189 4.161 4.350 0.001 0.000 0.268 381 T C 1.592 176.322 174.700 0.050 0.000 1.037 381 T CA 1.922 64.060 62.100 0.064 0.000 1.144 381 T CB -0.546 68.360 68.868 0.063 0.000 0.864 381 T HN 0.507 nan 8.240 nan 0.000 0.444 382 N N 0.412 119.150 118.700 0.064 0.000 2.166 382 N HA -0.123 4.618 4.740 0.001 0.000 0.186 382 N C 1.728 177.263 175.510 0.041 0.000 1.019 382 N CA 1.031 54.113 53.050 0.054 0.000 0.856 382 N CB -0.362 38.166 38.487 0.068 0.000 0.993 382 N HN 0.505 nan 8.380 nan 0.000 0.426 383 H N 0.592 119.643 119.070 -0.031 0.000 2.363 383 H HA 0.056 4.612 4.556 0.001 0.000 0.301 383 H C 1.602 176.868 175.328 -0.102 0.000 1.074 383 H CA 0.934 56.944 56.048 -0.063 0.000 1.354 383 H CB 0.146 29.862 29.762 -0.076 0.000 1.397 383 H HN 0.057 nan 8.280 nan 0.000 0.516 384 I N 1.667 122.162 120.570 -0.125 0.000 2.226 384 I HA -0.206 3.965 4.170 0.001 0.000 0.245 384 I C 2.218 178.240 176.117 -0.159 0.000 1.100 384 I CA 1.123 62.315 61.300 -0.180 0.000 1.374 384 I CB -1.073 36.905 38.000 -0.037 0.000 1.057 384 I HN 0.354 nan 8.210 nan 0.000 0.413 385 E N 0.732 120.869 120.200 -0.105 0.000 2.204 385 E HA -0.160 4.190 4.350 0.001 0.000 0.194 385 E C 2.191 178.718 176.600 -0.122 0.000 0.989 385 E CA 1.466 57.805 56.400 -0.100 0.000 0.824 385 E CB -0.080 29.582 29.700 -0.063 0.000 0.756 385 E HN 0.534 nan 8.360 nan 0.000 0.477 386 S N 1.350 116.959 115.700 -0.152 0.000 2.447 386 S HA -0.094 4.377 4.470 0.001 0.000 0.233 386 S C 1.783 176.280 174.600 -0.173 0.000 1.006 386 S CA 0.693 58.803 58.200 -0.151 0.000 0.957 386 S CB -0.465 62.644 63.200 -0.152 0.000 0.773 386 S HN 0.427 nan 8.310 nan 0.000 0.507 387 I N -0.834 119.599 120.570 -0.228 0.000 3.762 387 I HA 0.423 4.593 4.170 0.001 0.000 0.333 387 I C 1.413 177.457 176.117 -0.122 0.000 1.566 387 I CA -0.800 60.393 61.300 -0.178 0.000 1.129 387 I CB 0.157 38.017 38.000 -0.232 0.000 1.218 387 I HN 0.102 nan 8.210 nan 0.000 0.456 388 R N 0.027 120.458 120.500 -0.114 0.000 2.328 388 R HA -0.014 4.327 4.340 0.001 0.000 0.207 388 R C 1.183 177.439 176.300 -0.073 0.000 1.056 388 R CA 0.958 57.002 56.100 -0.094 0.000 1.016 388 R CB -0.221 30.012 30.300 -0.111 0.000 0.872 388 R HN 0.321 nan 8.270 nan 0.000 0.471 389 E N 1.160 121.322 120.200 -0.063 0.000 2.276 389 E HA -0.027 4.324 4.350 0.001 0.000 0.193 389 E C -0.167 176.417 176.600 -0.027 0.000 0.983 389 E CA 0.363 56.735 56.400 -0.047 0.000 0.861 389 E CB 0.105 29.778 29.700 -0.045 0.000 0.817 389 E HN 0.195 nan 8.360 nan 0.000 0.485 390 D N 0.720 121.108 120.400 -0.020 0.000 2.508 390 D HA -0.013 4.628 4.640 0.001 0.000 0.224 390 D C 0.528 176.849 176.300 0.035 0.000 1.171 390 D CA 0.008 54.012 54.000 0.006 0.000 1.006 390 D CB 0.231 41.035 40.800 0.007 0.000 1.073 390 D HN -0.126 nan 8.370 nan 0.000 0.513 391 K N 1.884 122.303 120.400 0.031 0.000 2.103 391 K HA -0.170 4.151 4.320 0.001 0.000 0.207 391 K C 1.506 178.183 176.600 0.128 0.000 1.048 391 K CA 1.032 57.353 56.287 0.057 0.000 0.930 391 K CB 0.095 32.606 32.500 0.017 0.000 0.716 391 K HN 0.510 nan 8.250 nan 0.000 0.444 392 E N 0.099 120.366 120.200 0.112 0.000 2.152 392 E HA -0.079 4.271 4.350 0.001 0.000 0.192 392 E C 2.133 178.868 176.600 0.225 0.000 0.983 392 E CA 0.510 57.012 56.400 0.169 0.000 0.818 392 E CB 0.022 29.785 29.700 0.106 0.000 0.758 392 E HN 0.191 nan 8.360 nan 0.000 0.467 393 R N 0.556 121.152 120.500 0.161 0.000 2.115 393 R HA -0.044 4.296 4.340 0.001 0.000 0.226 393 R C 2.067 178.487 176.300 0.201 0.000 1.100 393 R CA 0.630 56.824 56.100 0.156 0.000 0.980 393 R CB 0.005 30.365 30.300 0.100 0.000 0.875 393 R HN 0.161 nan 8.270 nan 0.000 0.445 394 L N -0.233 121.120 121.223 0.218 0.000 2.027 394 L HA -0.158 4.183 4.340 0.001 0.000 0.206 394 L C 2.288 179.431 176.870 0.455 0.000 1.074 394 L CA 1.123 56.151 54.840 0.313 0.000 0.745 394 L CB -0.575 41.649 42.059 0.275 0.000 0.898 394 L HN 0.178 nan 8.230 nan 0.000 0.433 395 F N 0.843 120.959 119.950 0.277 0.000 2.095 395 F HA -0.249 4.279 4.527 0.001 0.000 0.298 395 F C 2.602 178.539 175.800 0.227 0.000 1.104 395 F CA 1.802 59.968 58.000 0.277 0.000 1.232 395 F CB -0.331 38.770 39.000 0.168 0.000 0.987 395 F HN -0.054 nan 8.300 nan 0.000 0.475 396 S N 0.295 116.056 115.700 0.101 0.000 2.370 396 S HA -0.226 4.244 4.470 0.001 0.000 0.226 396 S C 1.880 176.424 174.600 -0.093 0.000 1.033 396 S CA 1.500 59.680 58.200 -0.033 0.000 1.011 396 S CB -0.972 62.286 63.200 0.098 0.000 0.852 396 S HN 0.530 nan 8.310 nan 0.000 0.457 397 F N 1.017 120.875 119.950 -0.154 0.000 2.146 397 F HA -0.007 4.521 4.527 0.001 0.000 0.298 397 F C 1.367 176.877 175.800 -0.484 0.000 1.096 397 F CA 1.347 59.148 58.000 -0.332 0.000 1.275 397 F CB -0.128 38.599 39.000 -0.454 0.000 1.008 397 F HN 0.140 nan 8.300 nan 0.000 0.480 398 F N -0.201 119.865 119.950 0.194 0.000 2.765 398 F HA 0.093 4.620 4.527 0.001 0.000 0.302 398 F C 2.190 177.872 175.800 -0.197 0.000 1.111 398 F CA 0.129 58.173 58.000 0.073 0.000 1.359 398 F CB -0.493 38.709 39.000 0.337 0.000 1.097 398 F HN 0.052 nan 8.300 nan 0.000 0.577 399 Q N 1.981 121.627 119.800 -0.257 0.000 2.020 399 Q HA -0.147 4.193 4.340 0.001 0.000 0.202 399 Q C -0.642 175.247 176.000 -0.185 0.000 0.982 399 Q CA 1.810 57.373 55.803 -0.401 0.000 0.838 399 Q CB -1.011 27.313 28.738 -0.690 0.000 0.899 399 Q HN 0.152 nan 8.270 nan 0.000 0.423 400 P HA -0.162 nan 4.420 nan 0.000 0.215 400 P C 1.582 178.901 177.300 0.032 0.000 1.153 400 P CA 2.106 65.214 63.100 0.013 0.000 0.853 400 P CB -0.351 31.427 31.700 0.130 0.000 0.788 401 V N -2.889 116.902 119.914 -0.206 0.000 2.453 401 V HA -0.150 3.971 4.120 0.001 0.000 0.247 401 V C 2.699 178.630 176.094 -0.270 0.000 1.048 401 V CA 1.123 63.221 62.300 -0.337 0.000 1.049 401 V CB -1.971 29.514 31.823 -0.563 0.000 0.672 401 V HN -0.081 nan 8.190 nan 0.000 0.457 402 L N 0.739 121.828 121.223 -0.223 0.000 2.013 402 L HA -0.180 4.161 4.340 0.001 0.000 0.212 402 L C 2.855 179.644 176.870 -0.135 0.000 1.073 402 L CA 2.234 56.941 54.840 -0.221 0.000 0.753 402 L CB -0.770 41.218 42.059 -0.119 0.000 0.890 402 L HN 0.415 nan 8.230 nan 0.000 0.432 403 N N -0.022 118.643 118.700 -0.058 0.000 2.062 403 N HA -0.208 4.532 4.740 0.001 0.000 0.191 403 N C 1.776 177.278 175.510 -0.014 0.000 1.042 403 N CA 1.084 54.129 53.050 -0.008 0.000 0.845 403 N CB -0.352 38.153 38.487 0.030 0.000 1.024 403 N HN 0.064 nan 8.380 nan 0.000 0.424 404 K N 1.375 121.795 120.400 0.033 0.000 2.144 404 K HA -0.055 4.266 4.320 0.001 0.000 0.209 404 K C 1.904 178.487 176.600 -0.027 0.000 1.047 404 K CA 0.957 57.284 56.287 0.067 0.000 0.927 404 K CB -0.466 32.190 32.500 0.260 0.000 0.716 404 K HN 0.237 nan 8.250 nan 0.000 0.454 405 I N -0.288 120.195 120.570 -0.144 0.000 2.163 405 I HA -0.280 3.890 4.170 0.001 0.000 0.240 405 I C 2.130 178.144 176.117 -0.173 0.000 1.081 405 I CA 1.048 62.197 61.300 -0.253 0.000 1.353 405 I CB -0.285 37.398 38.000 -0.529 0.000 1.054 405 I HN 0.168 nan 8.210 nan 0.000 0.407 406 M N 0.522 120.041 119.600 -0.135 0.000 2.149 406 M HA -0.251 4.230 4.480 0.001 0.000 0.261 406 M C 2.268 178.566 176.300 -0.004 0.000 1.064 406 M CA 1.680 56.950 55.300 -0.051 0.000 1.102 406 M CB -1.248 31.340 32.600 -0.021 0.000 1.369 406 M HN 0.238 nan 8.290 nan 0.000 0.408 407 K N 0.052 120.446 120.400 -0.010 0.000 2.009 407 K HA -0.166 4.155 4.320 0.001 0.000 0.210 407 K C 2.004 178.607 176.600 0.004 0.000 1.049 407 K CA 1.887 58.178 56.287 0.007 0.000 0.929 407 K CB -0.036 32.470 32.500 0.010 0.000 0.714 407 K HN 0.365 nan 8.250 nan 0.000 0.440 408 C N 0.857 120.149 119.300 -0.013 0.000 2.432 408 C HA 0.027 4.487 4.460 0.001 0.000 0.282 408 C C 1.935 176.923 174.990 -0.003 0.000 1.388 408 C CA 0.234 59.245 59.018 -0.011 0.000 1.777 408 C CB -0.653 27.072 27.740 -0.025 0.000 1.882 408 C HN 0.440 nan 8.230 nan 0.000 0.520 409 L N 0.816 122.037 121.223 -0.002 0.000 2.688 409 L HA 0.130 4.471 4.340 0.001 0.000 0.234 409 L C -0.323 176.596 176.870 0.080 0.000 1.192 409 L CA 0.233 55.099 54.840 0.044 0.000 0.984 409 L CB -0.728 41.364 42.059 0.056 0.000 1.232 409 L HN 0.320 nan 8.230 nan 0.000 0.465 410 D N 0.868 121.299 120.400 0.051 0.000 2.812 410 D HA -0.176 4.465 4.640 0.001 0.000 0.237 410 D C 0.232 176.570 176.300 0.063 0.000 1.162 410 D CA 0.996 55.025 54.000 0.048 0.000 0.740 410 D CB -0.619 40.206 40.800 0.042 0.000 1.000 410 D HN 0.445 nan 8.370 nan 0.000 0.416 411 S N -0.825 114.914 115.700 0.064 0.000 2.843 411 S HA 0.583 5.054 4.470 0.001 0.000 0.301 411 S C -0.977 173.656 174.600 0.056 0.000 1.206 411 S CA -0.679 57.566 58.200 0.073 0.000 0.875 411 S CB 1.986 65.264 63.200 0.130 0.000 1.248 411 S HN 0.139 nan 8.310 nan 0.000 0.555 412 E N 0.346 120.582 120.200 0.061 0.000 2.334 412 E HA 0.396 4.746 4.350 0.001 0.000 0.256 412 E C -1.454 175.187 176.600 0.067 0.000 0.958 412 E CA -0.975 55.459 56.400 0.056 0.000 0.821 412 E CB 0.456 30.189 29.700 0.054 0.000 1.269 412 E HN 0.533 nan 8.360 nan 0.000 0.413 413 D N 0.891 121.334 120.400 0.072 0.000 2.488 413 D HA 0.026 4.667 4.640 0.001 0.000 0.238 413 D C -0.455 175.929 176.300 0.139 0.000 1.138 413 D CA 0.169 54.226 54.000 0.094 0.000 0.873 413 D CB 0.577 41.432 40.800 0.093 0.000 1.183 413 D HN -0.004 nan 8.370 nan 0.000 0.458 414 V N 3.437 123.465 119.914 0.190 0.000 2.673 414 V HA 0.032 4.152 4.120 0.001 0.000 0.303 414 V C 0.816 177.097 176.094 0.311 0.000 1.046 414 V CA 0.070 62.553 62.300 0.305 0.000 1.126 414 V CB 0.335 32.421 31.823 0.438 0.000 0.934 414 V HN 0.332 nan 8.190 nan 0.000 0.487 415 I N 3.398 124.116 120.570 0.248 0.000 2.362 415 I HA 0.256 4.427 4.170 0.001 0.000 0.289 415 I C 0.003 176.122 176.117 0.003 0.000 0.994 415 I CA -0.566 60.813 61.300 0.132 0.000 1.158 415 I CB 1.546 39.600 38.000 0.090 0.000 1.315 415 I HN 0.544 nan 8.210 nan 0.000 0.451 416 D N 5.992 126.270 120.400 -0.204 0.000 2.349 416 D HA 0.112 4.752 4.640 0.001 0.000 0.266 416 D C 0.631 176.773 176.300 -0.264 0.000 1.293 416 D CA 0.229 53.920 54.000 -0.516 0.000 0.926 416 D CB 0.931 41.210 40.800 -0.870 0.000 1.090 416 D HN 0.751 nan 8.370 nan 0.000 0.502 417 G N 3.653 112.327 108.800 -0.210 0.000 4.547 417 G HA2 0.118 4.079 3.960 0.001 0.000 0.301 417 G HA3 0.118 4.079 3.960 0.001 0.000 0.301 417 G C 0.802 175.608 174.900 -0.157 0.000 1.240 417 G CA -0.393 44.623 45.100 -0.141 0.000 0.970 417 G HN 0.486 nan 8.290 nan 0.000 0.574 418 M N 0.608 120.103 119.600 -0.175 0.000 2.729 418 M HA 0.363 4.844 4.480 0.001 0.000 0.229 418 M C 0.707 176.960 176.300 -0.079 0.000 1.280 418 M CA 0.503 55.720 55.300 -0.138 0.000 1.012 418 M CB -0.115 32.401 32.600 -0.140 0.000 1.603 418 M HN 0.135 nan 8.290 nan 0.000 0.452 428 N N 0.350 119.056 118.700 0.012 0.000 2.142 428 N HA 0.379 5.120 4.740 0.001 0.000 0.233 428 N C -0.130 175.392 175.510 0.019 0.000 1.335 428 N CA 0.306 53.360 53.050 0.006 0.000 0.837 428 N CB 0.331 nan 38.487 nan 0.000 1.238 428 N HN 0.490 nan 8.380 nan 0.000 0.501 429 K N 1.324 121.745 120.400 0.035 0.000 2.328 429 K HA 0.522 4.842 4.320 0.001 0.000 0.246 429 K C -2.867 173.783 176.600 0.084 0.000 0.955 429 K CA -1.750 54.574 56.287 0.061 0.000 0.817 429 K CB 2.764 35.306 32.500 0.069 0.000 1.208 429 K HN 0.101 nan 8.250 nan 0.000 0.432 430 P HA 0.081 nan 4.420 nan 0.000 0.276 430 P C -0.665 176.821 177.300 0.310 0.000 1.243 430 P CA -0.287 62.923 63.100 0.183 0.000 0.768 430 P CB 0.748 32.492 31.700 0.073 0.000 0.856 431 V N 5.779 125.899 119.914 0.342 0.000 2.334 431 V HA 0.111 4.232 4.120 0.001 0.000 0.281 431 V C 0.514 176.725 176.094 0.195 0.000 1.016 431 V CA -0.837 61.602 62.300 0.232 0.000 0.832 431 V CB 1.218 33.097 31.823 0.094 0.000 0.999 431 V HN 0.441 nan 8.190 nan 0.000 0.439 432 L N 7.190 128.441 121.223 0.047 0.000 2.433 432 L HA 0.352 4.693 4.340 0.001 0.000 0.275 432 L C 1.349 178.034 176.870 -0.309 0.000 1.128 432 L CA 0.722 55.366 54.840 -0.326 0.000 0.875 432 L CB 0.366 42.283 42.059 -0.237 0.000 1.171 432 L HN 0.480 nan 8.230 nan 0.000 0.463 433 R N 3.059 123.299 120.500 -0.434 0.000 2.105 433 R HA 0.225 4.566 4.340 0.001 0.000 0.214 433 R C 0.332 176.420 176.300 -0.354 0.000 1.091 433 R CA 0.510 56.300 56.100 -0.517 0.000 1.007 433 R CB -0.285 29.278 30.300 -1.227 0.000 0.912 433 R HN 0.784 nan 8.270 nan 0.000 0.450 434 N N -0.447 118.066 118.700 -0.312 0.000 2.525 434 N HA 0.404 5.145 4.740 0.001 0.000 0.270 434 N C -1.528 173.866 175.510 -0.194 0.000 1.321 434 N CA -0.497 52.450 53.050 -0.171 0.000 0.797 434 N CB 2.083 40.537 38.487 -0.055 0.000 1.529 434 N HN -0.170 nan 8.380 nan 0.000 0.491 435 I N 2.692 123.158 120.570 -0.172 0.000 2.512 435 I HA 0.407 4.577 4.170 0.001 0.000 0.287 435 I C -0.779 175.192 176.117 -0.242 0.000 1.069 435 I CA -0.541 60.596 61.300 -0.271 0.000 1.056 435 I CB 1.946 39.821 38.000 -0.209 0.000 1.229 435 I HN 0.392 nan 8.210 nan 0.000 0.429 436 I N 6.341 126.722 120.570 -0.316 0.000 2.562 436 I HA 0.608 4.779 4.170 0.001 0.000 0.301 436 I C -0.598 175.350 176.117 -0.282 0.000 1.003 436 I CA -1.008 60.146 61.300 -0.244 0.000 1.127 436 I CB 2.199 40.070 38.000 -0.214 0.000 1.304 436 I HN 0.153 nan 8.210 nan 0.000 0.446 437 V N 3.167 122.951 119.914 -0.217 0.000 2.876 437 V HA 0.363 4.484 4.120 0.001 0.000 0.312 437 V C 0.122 176.090 176.094 -0.210 0.000 1.085 437 V CA -0.750 61.424 62.300 -0.210 0.000 0.945 437 V CB 2.060 33.781 31.823 -0.171 0.000 1.017 437 V HN 0.933 nan 8.190 nan 0.000 0.428 438 S N 1.741 117.321 115.700 -0.199 0.000 2.617 438 S HA 0.246 4.716 4.470 0.001 0.000 0.259 438 S C 0.348 174.750 174.600 -0.330 0.000 1.301 438 S CA -0.087 57.931 58.200 -0.303 0.000 0.984 438 S CB 0.623 63.739 63.200 -0.140 0.000 0.954 438 S HN 0.923 nan 8.310 nan 0.000 0.572 439 N N -1.154 117.228 118.700 -0.530 0.000 2.261 439 N HA 0.100 4.841 4.740 0.001 0.000 0.241 439 N C -0.229 175.141 175.510 -0.233 0.000 1.374 439 N CA -0.219 52.637 53.050 -0.322 0.000 0.802 439 N CB 0.193 38.501 38.487 -0.299 0.000 1.339 439 N HN 0.795 nan 8.380 nan 0.000 0.498 440 W N 0.844 122.144 121.300 0.001 0.000 2.392 440 W HA -0.112 4.549 4.660 0.001 0.000 0.279 440 W C 2.551 179.088 176.519 0.029 0.000 1.225 440 W CA 1.441 58.800 57.345 0.023 0.000 1.233 440 W CB -0.118 29.359 29.460 0.027 0.000 1.122 440 W HN 0.192 nan 8.180 nan 0.000 0.561 441 T N -1.911 112.767 114.554 0.205 0.000 3.014 441 T HA 0.029 4.380 4.350 0.001 0.000 0.263 441 T C 1.648 176.388 174.700 0.068 0.000 1.078 441 T CA 0.593 62.775 62.100 0.137 0.000 1.135 441 T CB -0.125 68.802 68.868 0.099 0.000 0.895 441 T HN 0.111 nan 8.240 nan 0.000 0.480 442 R N 0.977 121.493 120.500 0.027 0.000 2.254 442 R HA 0.222 4.563 4.340 0.001 0.000 0.195 442 R C 0.356 176.638 176.300 -0.030 0.000 0.957 442 R CA 0.129 56.220 56.100 -0.015 0.000 1.024 442 R CB 0.089 30.364 30.300 -0.041 0.000 0.952 442 R HN 0.342 nan 8.270 nan 0.000 0.484 443 D N 1.879 122.280 120.400 0.001 0.000 2.339 443 D HA 0.017 4.658 4.640 0.001 0.000 0.256 443 D C -1.448 174.820 176.300 -0.052 0.000 1.214 443 D CA -2.185 51.812 54.000 -0.004 0.000 0.877 443 D CB 1.419 42.271 40.800 0.088 0.000 1.111 443 D HN -0.024 nan 8.370 nan 0.000 0.478 444 P HA -0.171 nan 4.420 nan 0.000 0.221 444 P C 0.552 177.609 177.300 -0.404 0.000 1.145 444 P CA 1.102 63.972 63.100 -0.384 0.000 0.795 444 P CB -0.070 31.272 31.700 -0.595 0.000 0.775 445 Y N -1.444 118.892 120.300 0.060 0.000 2.493 445 Y HA 0.255 4.806 4.550 0.001 0.000 0.275 445 Y C 2.434 178.394 175.900 0.100 0.000 1.183 445 Y CA -0.207 57.933 58.100 0.067 0.000 1.258 445 Y CB 0.456 38.961 38.460 0.076 0.000 1.108 445 Y HN 0.003 nan 8.280 nan 0.000 0.521 446 S N -0.272 115.539 115.700 0.186 0.000 3.730 446 S HA 0.188 4.659 4.470 0.001 0.000 0.218 446 S C 0.367 175.047 174.600 0.134 0.000 1.053 446 S CA -0.176 58.160 58.200 0.228 0.000 0.878 446 S CB 0.255 63.709 63.200 0.423 0.000 1.064 446 S HN 0.328 nan 8.310 nan 0.000 0.583 447 R N 1.393 121.964 120.500 0.118 0.000 3.267 447 R HA -0.088 4.253 4.340 0.001 0.000 0.254 447 R C 0.251 176.667 176.300 0.193 0.000 0.993 447 R CA 0.390 56.529 56.100 0.065 0.000 0.670 447 R CB -2.184 28.073 30.300 -0.070 0.000 1.125 447 R HN 0.789 nan 8.270 nan 0.000 0.434 448 G N -2.110 106.882 108.800 0.320 0.000 2.343 448 G HA2 0.246 4.206 3.960 0.001 0.000 0.562 448 G HA3 0.246 4.206 3.960 0.001 0.000 0.562 448 G C 0.102 175.146 174.900 0.239 0.000 1.269 448 G CA -0.278 45.056 45.100 0.390 0.000 1.011 448 G HN 0.415 nan 8.290 nan 0.000 0.498 449 A N -1.289 121.407 122.820 -0.207 0.000 1.909 449 A HA 0.774 5.095 4.320 0.001 0.000 0.210 449 A C 0.576 177.790 177.584 -0.617 0.000 1.273 449 A CA 2.361 54.105 52.037 -0.489 0.000 0.654 449 A CB -0.045 18.535 19.000 -0.699 0.000 0.945 449 A HN 2.284 nan 8.150 nan 0.000 0.471 450 Y N -2.675 116.988 120.300 -1.062 0.000 2.779 450 Y HA 0.510 5.060 4.550 0.001 0.000 0.340 450 Y C -0.159 174.976 175.900 -1.275 0.000 1.252 450 Y CA -1.408 56.061 58.100 -1.051 0.000 1.072 450 Y CB -0.006 38.152 38.460 -0.504 0.000 1.343 450 Y HN 0.168 nan 8.280 nan 0.000 0.450 451 S N 1.002 116.524 115.700 -0.297 0.000 2.549 451 S HA 0.718 5.188 4.470 0.001 0.000 0.286 451 S C -0.079 174.504 174.600 -0.028 0.000 1.314 451 S CA 0.306 58.464 58.200 -0.071 0.000 1.062 451 S CB 0.550 63.823 63.200 0.122 0.000 0.865 451 S HN 1.609 nan 8.310 nan 0.000 0.498 452 A N 1.617 124.415 122.820 -0.036 0.000 2.593 452 A HA 0.698 5.018 4.320 0.001 0.000 0.290 452 A C -0.931 176.667 177.584 0.024 0.000 1.126 452 A CA -0.914 51.144 52.037 0.036 0.000 0.695 452 A CB 1.037 20.050 19.000 0.021 0.000 1.290 452 A HN 1.002 nan 8.150 nan 0.000 0.414 453 C N 0.627 119.965 119.300 0.064 0.000 2.345 453 C HA 0.650 5.110 4.460 0.001 0.000 0.323 453 C C 0.045 175.163 174.990 0.213 0.000 1.276 453 C CA -0.561 58.502 59.018 0.076 0.000 1.543 453 C CB -0.818 26.951 27.740 0.049 0.000 2.211 453 C HN 0.644 nan 8.230 nan 0.000 0.493 454 F N 3.454 123.410 119.950 0.009 0.000 2.370 454 F HA 0.346 4.874 4.527 0.001 0.000 0.319 454 F C -1.487 174.292 175.800 -0.035 0.000 1.129 454 F CA -2.328 55.627 58.000 -0.075 0.000 1.109 454 F CB 0.909 39.751 39.000 -0.263 0.000 1.262 454 F HN 0.291 nan 8.300 nan 0.000 0.534 455 P HA 0.066 nan 4.420 nan 0.000 0.268 455 P C 0.378 177.740 177.300 0.103 0.000 1.204 455 P CA 0.759 63.920 63.100 0.102 0.000 0.768 455 P CB 0.886 32.633 31.700 0.078 0.000 0.842 456 G N 2.079 110.927 108.800 0.080 0.000 2.213 456 G HA2 -0.169 3.792 3.960 0.001 0.000 0.226 456 G HA3 -0.169 3.792 3.960 0.001 0.000 0.226 456 G C -0.115 174.834 174.900 0.081 0.000 0.992 456 G CA -0.282 44.865 45.100 0.078 0.000 0.632 456 G HN 0.505 nan 8.290 nan 0.000 0.511 457 D N 1.639 122.095 120.400 0.094 0.000 2.382 457 D HA 0.485 5.126 4.640 0.001 0.000 0.245 457 D C 0.387 176.711 176.300 0.038 0.000 1.120 457 D CA 1.088 55.141 54.000 0.088 0.000 0.890 457 D CB 0.965 41.836 40.800 0.118 0.000 1.201 457 D HN 0.618 nan 8.370 nan 0.000 0.433 458 D N 2.315 122.727 120.400 0.020 0.000 2.458 458 D HA 0.214 4.855 4.640 0.001 0.000 0.258 458 D C -1.609 174.679 176.300 -0.020 0.000 1.134 458 D CA -1.265 52.735 54.000 -0.000 0.000 0.915 458 D CB 1.035 nan 40.800 nan 0.000 1.028 458 D HN 0.118 nan 8.370 nan 0.000 0.508 459 P HA -0.165 nan 4.420 nan 0.000 0.220 459 P C 1.667 178.942 177.300 -0.042 0.000 1.144 459 P CA 0.636 63.719 63.100 -0.028 0.000 0.800 459 P CB 0.378 32.075 31.700 -0.005 0.000 0.772 460 V N 0.741 120.636 119.914 -0.031 0.000 2.515 460 V HA -0.181 3.939 4.120 0.001 0.000 0.250 460 V C 2.190 178.250 176.094 -0.055 0.000 1.058 460 V CA 2.073 64.352 62.300 -0.035 0.000 1.064 460 V CB -1.306 30.506 31.823 -0.017 0.000 0.675 460 V HN 0.057 nan 8.190 nan 0.000 0.461 461 D N -0.306 120.056 120.400 -0.064 0.000 2.104 461 D HA -0.213 4.427 4.640 0.001 0.000 0.194 461 D C 1.995 178.216 176.300 -0.132 0.000 0.994 461 D CA 1.530 55.480 54.000 -0.085 0.000 0.830 461 D CB -0.267 40.483 40.800 -0.083 0.000 0.959 461 D HN 0.348 nan 8.370 nan 0.000 0.452 462 M N 0.267 119.768 119.600 -0.166 0.000 2.067 462 M HA -0.109 4.371 4.480 0.001 0.000 0.260 462 M C 1.987 178.178 176.300 -0.182 0.000 1.069 462 M CA 1.177 56.337 55.300 -0.233 0.000 1.117 462 M CB -0.523 31.932 32.600 -0.242 0.000 1.334 462 M HN -0.120 nan 8.290 nan 0.000 0.407 463 V N -0.756 119.083 119.914 -0.124 0.000 2.324 463 V HA -0.290 3.830 4.120 0.001 0.000 0.250 463 V C 2.407 178.445 176.094 -0.093 0.000 1.060 463 V CA 1.869 64.107 62.300 -0.104 0.000 1.042 463 V CB -0.974 30.808 31.823 -0.068 0.000 0.650 463 V HN 0.408 nan 8.190 nan 0.000 0.450 464 V N -0.038 119.827 119.914 -0.081 0.000 2.261 464 V HA -0.255 3.865 4.120 0.001 0.000 0.246 464 V C 2.700 178.750 176.094 -0.073 0.000 1.047 464 V CA 2.129 64.392 62.300 -0.061 0.000 1.015 464 V CB -1.075 30.719 31.823 -0.049 0.000 0.642 464 V HN 0.569 nan 8.190 nan 0.000 0.446 465 A N -0.691 122.063 122.820 -0.111 0.000 1.908 465 A HA -0.246 4.074 4.320 0.001 0.000 0.218 465 A C 2.234 179.727 177.584 -0.152 0.000 1.181 465 A CA 2.180 54.139 52.037 -0.131 0.000 0.627 465 A CB -0.460 18.427 19.000 -0.189 0.000 0.818 465 A HN 0.431 nan 8.150 nan 0.000 0.445 466 M N 0.503 119.981 119.600 -0.204 0.000 2.077 466 M HA -0.108 4.373 4.480 0.001 0.000 0.261 466 M C 2.398 178.704 176.300 0.011 0.000 1.070 466 M CA 2.050 57.223 55.300 -0.212 0.000 1.125 466 M CB -1.551 30.900 32.600 -0.249 0.000 1.339 466 M HN 0.614 nan 8.290 nan 0.000 0.409 467 S N -0.126 115.563 115.700 -0.017 0.000 2.547 467 S HA -0.038 4.433 4.470 0.001 0.000 0.235 467 S C 1.233 175.857 174.600 0.040 0.000 0.980 467 S CA 0.794 59.005 58.200 0.019 0.000 0.941 467 S CB -0.488 62.706 63.200 -0.011 0.000 0.763 467 S HN 0.393 nan 8.310 nan 0.000 0.532 468 N N 1.499 120.223 118.700 0.041 0.000 2.280 468 N HA 0.292 5.033 4.740 0.001 0.000 0.192 468 N C 0.955 176.519 175.510 0.090 0.000 1.109 468 N CA 0.741 53.819 53.050 0.046 0.000 0.855 468 N CB 0.348 38.847 38.487 0.019 0.000 0.974 468 N HN 0.611 nan 8.380 nan 0.000 0.482 469 G N 1.245 110.151 108.800 0.176 0.000 2.916 469 G HA2 -0.322 3.639 3.960 0.001 0.000 0.533 469 G HA3 -0.322 3.639 3.960 0.001 0.000 0.533 469 G C 0.469 175.520 174.900 0.250 0.000 1.516 469 G CA 0.299 45.565 45.100 0.275 0.000 0.944 469 G HN 0.298 nan 8.290 nan 0.000 0.555 470 Q N 0.160 120.132 119.800 0.287 0.000 2.230 470 Q HA 0.240 4.580 4.340 0.001 0.000 0.202 470 Q C 0.930 176.978 176.000 0.081 0.000 0.963 470 Q CA 2.568 58.477 55.803 0.176 0.000 0.866 470 Q CB 0.078 28.894 28.738 0.130 0.000 0.931 470 Q HN 1.183 nan 8.270 nan 0.000 0.452 471 D N -4.261 116.176 120.400 0.061 0.000 2.808 471 D HA 0.007 4.647 4.640 0.001 0.000 0.294 471 D C 0.194 176.515 176.300 0.034 0.000 1.278 471 D CA 0.182 54.203 54.000 0.036 0.000 0.756 471 D CB -0.338 40.471 40.800 0.016 0.000 1.271 471 D HN -0.067 nan 8.370 nan 0.000 0.425 472 S N -0.669 115.050 115.700 0.031 0.000 2.423 472 S HA -0.271 4.200 4.470 0.001 0.000 0.238 472 S C 1.366 176.019 174.600 0.089 0.000 1.028 472 S CA 0.944 59.182 58.200 0.064 0.000 1.000 472 S CB -0.408 62.822 63.200 0.050 0.000 0.797 472 S HN 0.504 nan 8.310 nan 0.000 0.487 473 R N 0.545 121.024 120.500 -0.036 0.000 2.175 473 R HA 0.439 4.780 4.340 0.001 0.000 0.202 473 R C 0.568 176.843 176.300 -0.042 0.000 1.018 473 R CA 0.213 56.218 56.100 -0.158 0.000 1.029 473 R CB -0.302 29.805 30.300 -0.321 0.000 0.959 473 R HN 0.457 nan 8.270 nan 0.000 0.480 474 I N 3.597 124.136 120.570 -0.051 0.000 2.291 474 I HA 0.194 4.365 4.170 0.001 0.000 0.290 474 I C 0.061 176.037 176.117 -0.235 0.000 1.050 474 I CA -0.424 60.804 61.300 -0.119 0.000 1.245 474 I CB 0.613 38.573 38.000 -0.066 0.000 1.405 474 I HN -0.222 nan 8.210 nan 0.000 0.478 475 R N 5.580 125.901 120.500 -0.297 0.000 2.875 475 R HA 0.719 5.060 4.340 0.001 0.000 0.251 475 R C -1.098 174.842 176.300 -0.600 0.000 1.123 475 R CA -0.956 54.969 56.100 -0.292 0.000 1.064 475 R CB 1.256 31.511 30.300 -0.076 0.000 1.205 475 R HN 0.254 nan 8.270 nan 0.000 0.503 476 F N -1.052 118.906 119.950 0.012 0.000 2.588 476 F HA 0.735 5.263 4.527 0.001 0.000 0.310 476 F C -0.088 175.683 175.800 -0.048 0.000 1.082 476 F CA -0.830 57.173 58.000 0.005 0.000 0.929 476 F CB 2.322 41.323 39.000 0.003 0.000 1.254 476 F HN 0.649 nan 8.300 nan 0.000 0.455 477 A N 0.918 123.820 122.820 0.136 0.000 2.593 477 A HA 0.998 5.318 4.320 0.001 0.000 0.290 477 A C -0.413 177.153 177.584 -0.030 0.000 1.126 477 A CA -0.374 51.669 52.037 0.010 0.000 0.695 477 A CB 1.682 20.682 19.000 -0.000 0.000 1.290 477 A HN 1.845 nan 8.150 nan 0.000 0.414 478 G N -0.504 108.252 108.800 -0.073 0.000 2.357 478 G HA2 0.424 4.385 3.960 0.001 0.000 0.643 478 G HA3 0.424 4.385 3.960 0.001 0.000 0.643 478 G C 0.003 174.836 174.900 -0.112 0.000 1.358 478 G CA 0.667 45.747 45.100 -0.034 0.000 0.986 478 G HN 1.802 nan 8.290 nan 0.000 0.620 479 E N -0.467 119.749 120.200 0.027 0.000 2.267 479 E HA -0.210 4.141 4.350 0.001 0.000 0.197 479 E C 1.619 178.206 176.600 -0.022 0.000 0.998 479 E CA 2.371 58.759 56.400 -0.020 0.000 0.830 479 E CB -0.336 29.350 29.700 -0.023 0.000 0.751 479 E HN 0.890 nan 8.360 nan 0.000 0.491 480 H N -0.177 118.891 119.070 -0.005 0.000 2.526 480 H HA 0.210 4.767 4.556 0.001 0.000 0.274 480 H C 0.664 175.959 175.328 -0.054 0.000 0.999 480 H CA 1.055 57.092 56.048 -0.018 0.000 1.157 480 H CB -0.171 29.605 29.762 0.024 0.000 1.407 480 H HN 0.308 nan 8.280 nan 0.000 0.568 481 T N -1.657 112.625 114.554 -0.453 0.000 3.174 481 T HA 0.378 4.729 4.350 0.001 0.000 0.269 481 T C 0.289 174.895 174.700 -0.156 0.000 1.017 481 T CA -0.414 61.494 62.100 -0.321 0.000 0.899 481 T CB -0.302 68.362 68.868 -0.341 0.000 1.077 481 T HN 0.327 nan 8.240 nan 0.000 0.552 482 I N 0.406 120.905 120.570 -0.119 0.000 2.841 482 I HA 0.350 4.521 4.170 0.001 0.000 0.298 482 I C 0.200 176.287 176.117 -0.050 0.000 1.304 482 I CA -1.244 60.016 61.300 -0.067 0.000 1.019 482 I CB 2.032 40.002 38.000 -0.051 0.000 1.282 482 I HN -0.149 nan 8.210 nan 0.000 0.432 483 M N 2.345 121.933 119.600 -0.019 0.000 2.074 483 M HA 0.048 4.528 4.480 0.001 0.000 0.258 483 M C 0.098 176.405 176.300 0.012 0.000 1.083 483 M CA 1.429 56.728 55.300 -0.001 0.000 1.128 483 M CB -1.277 31.334 32.600 0.018 0.000 1.301 483 M HN 0.472 nan 8.290 nan 0.000 0.417 484 D N 0.854 121.281 120.400 0.046 0.000 2.426 484 D HA 0.343 4.983 4.640 0.001 0.000 0.261 484 D C 1.066 177.374 176.300 0.013 0.000 1.245 484 D CA 1.168 55.227 54.000 0.098 0.000 0.917 484 D CB -0.161 40.737 40.800 0.164 0.000 1.123 484 D HN 0.656 nan 8.370 nan 0.000 0.508 485 G N 1.918 110.678 108.800 -0.068 0.000 2.137 485 G HA2 -0.156 3.805 3.960 0.001 0.000 0.237 485 G HA3 -0.156 3.805 3.960 0.001 0.000 0.237 485 G C 0.522 175.184 174.900 -0.397 0.000 1.002 485 G CA -0.073 44.703 45.100 -0.540 0.000 0.702 485 G HN 0.846 nan 8.290 nan 0.000 0.515 486 A N -0.426 122.277 122.820 -0.196 0.000 2.540 486 A HA 0.612 4.932 4.320 0.001 0.000 0.239 486 A C 2.133 179.562 177.584 -0.259 0.000 1.061 486 A CA 1.940 53.876 52.037 -0.170 0.000 0.758 486 A CB -0.077 18.872 19.000 -0.086 0.000 0.991 486 A HN 2.418 nan 8.150 nan 0.000 0.502 487 G N 0.571 109.215 108.800 -0.261 0.000 2.189 487 G HA2 -0.276 3.685 3.960 0.001 0.000 0.267 487 G HA3 -0.276 3.685 3.960 0.001 0.000 0.267 487 G C 0.369 174.915 174.900 -0.590 0.000 0.975 487 G CA 0.490 45.333 45.100 -0.428 0.000 0.644 487 G HN 1.172 nan 8.290 nan 0.000 0.537 488 C N -0.429 118.605 119.300 -0.442 0.000 2.399 488 C HA 0.811 5.271 4.460 0.001 0.000 0.348 488 C C 2.228 177.065 174.990 -0.254 0.000 1.183 488 C CA 0.149 58.946 59.018 -0.368 0.000 2.023 488 C CB 1.263 28.796 27.740 -0.345 0.000 2.361 488 C HN 0.847 nan 8.230 nan 0.000 0.521 489 A N 0.725 123.455 122.820 -0.149 0.000 1.940 489 A HA -0.182 4.139 4.320 0.001 0.000 0.219 489 A C 1.766 179.403 177.584 0.089 0.000 1.176 489 A CA 2.182 54.171 52.037 -0.080 0.000 0.631 489 A CB -0.812 18.087 19.000 -0.169 0.000 0.814 489 A HN 1.085 nan 8.150 nan 0.000 0.446 490 Y N -0.875 119.473 120.300 0.081 0.000 2.373 490 Y HA 0.249 4.800 4.550 0.001 0.000 0.293 490 Y C 2.052 178.090 175.900 0.230 0.000 1.129 490 Y CA 0.465 58.640 58.100 0.124 0.000 1.226 490 Y CB -1.040 37.459 38.460 0.066 0.000 1.000 490 Y HN 0.067 nan 8.280 nan 0.000 0.549 491 G N 0.866 109.461 108.800 -0.342 0.000 2.404 491 G HA2 -0.160 3.801 3.960 0.001 0.000 0.214 491 G HA3 -0.160 3.801 3.960 0.001 0.000 0.214 491 G C 1.865 176.771 174.900 0.010 0.000 1.189 491 G CA 1.042 46.013 45.100 -0.216 0.000 0.789 491 G HN 0.615 nan 8.290 nan 0.000 0.533 492 A N 0.001 122.822 122.820 0.002 0.000 1.948 492 A HA -0.133 4.188 4.320 0.001 0.000 0.220 492 A C 2.154 179.828 177.584 0.151 0.000 1.177 492 A CA 1.726 53.792 52.037 0.049 0.000 0.636 492 A CB -0.763 18.259 19.000 0.037 0.000 0.815 492 A HN 0.608 nan 8.150 nan 0.000 0.449 493 W N 0.670 121.986 121.300 0.027 0.000 2.355 493 W HA -0.163 4.498 4.660 0.001 0.000 0.309 493 W C 2.015 178.577 176.519 0.073 0.000 1.206 493 W CA 1.934 59.325 57.345 0.075 0.000 1.284 493 W CB -0.053 29.491 29.460 0.139 0.000 1.145 493 W HN 0.382 nan 8.180 nan 0.000 0.502 494 E N 0.400 120.837 120.200 0.394 0.000 2.106 494 E HA -0.203 4.147 4.350 0.001 0.000 0.192 494 E C 2.342 178.936 176.600 -0.010 0.000 0.984 494 E CA 2.199 58.704 56.400 0.176 0.000 0.806 494 E CB -0.555 29.334 29.700 0.314 0.000 0.750 494 E HN 0.286 nan 8.360 nan 0.000 0.458 495 S N -0.954 114.749 115.700 0.005 0.000 2.382 495 S HA -0.064 4.406 4.470 0.001 0.000 0.228 495 S C 2.259 176.816 174.600 -0.073 0.000 1.027 495 S CA 1.012 59.190 58.200 -0.037 0.000 0.991 495 S CB -0.948 62.225 63.200 -0.045 0.000 0.823 495 S HN 0.335 nan 8.310 nan 0.000 0.469 496 G N 1.863 110.606 108.800 -0.095 0.000 2.418 496 G HA2 -0.206 3.754 3.960 0.001 0.000 0.217 496 G HA3 -0.206 3.754 3.960 0.001 0.000 0.217 496 G C 1.578 176.363 174.900 -0.192 0.000 1.158 496 G CA 0.731 45.752 45.100 -0.131 0.000 0.771 496 G HN 0.568 nan 8.290 nan 0.000 0.545 497 R N 0.223 120.547 120.500 -0.293 0.000 2.081 497 R HA 0.010 4.350 4.340 0.001 0.000 0.235 497 R C 2.560 178.757 176.300 -0.173 0.000 1.131 497 R CA 1.333 57.251 56.100 -0.302 0.000 0.960 497 R CB -0.304 29.721 30.300 -0.459 0.000 0.856 497 R HN 0.348 nan 8.270 nan 0.000 0.436 498 R N 0.490 120.914 120.500 -0.127 0.000 2.113 498 R HA -0.171 4.169 4.340 0.001 0.000 0.231 498 R C 1.849 178.101 176.300 -0.080 0.000 1.129 498 R CA 2.047 58.100 56.100 -0.078 0.000 0.915 498 R CB -0.243 30.028 30.300 -0.047 0.000 0.837 498 R HN 0.207 nan 8.270 nan 0.000 0.430 499 E N 0.253 120.407 120.200 -0.076 0.000 2.118 499 E HA -0.201 4.150 4.350 0.001 0.000 0.195 499 E C 1.832 178.364 176.600 -0.113 0.000 0.992 499 E CA 1.430 57.783 56.400 -0.079 0.000 0.804 499 E CB -0.343 29.320 29.700 -0.063 0.000 0.741 499 E HN 0.529 nan 8.360 nan 0.000 0.458 500 A N 0.632 123.379 122.820 -0.120 0.000 1.930 500 A HA -0.117 4.204 4.320 0.001 0.000 0.217 500 A C 2.450 179.957 177.584 -0.129 0.000 1.175 500 A CA 1.850 53.809 52.037 -0.131 0.000 0.627 500 A CB -0.723 18.204 19.000 -0.122 0.000 0.815 500 A HN 0.230 nan 8.150 nan 0.000 0.443 501 T N -0.647 113.839 114.554 -0.113 0.000 2.737 501 T HA -0.133 4.218 4.350 0.001 0.000 0.265 501 T C 2.083 176.721 174.700 -0.103 0.000 1.038 501 T CA 1.474 63.516 62.100 -0.096 0.000 1.144 501 T CB -0.244 68.577 68.868 -0.079 0.000 0.866 501 T HN 0.621 nan 8.240 nan 0.000 0.434 502 R N 0.741 121.178 120.500 -0.105 0.000 2.091 502 R HA -0.053 4.288 4.340 0.001 0.000 0.238 502 R C 2.289 178.483 176.300 -0.176 0.000 1.136 502 R CA 1.471 57.506 56.100 -0.107 0.000 0.959 502 R CB -0.454 29.796 30.300 -0.084 0.000 0.856 502 R HN 0.392 nan 8.270 nan 0.000 0.437 503 I N 0.449 120.866 120.570 -0.255 0.000 2.233 503 I HA -0.210 3.960 4.170 0.001 0.000 0.243 503 I C 2.345 178.273 176.117 -0.315 0.000 1.093 503 I CA 1.086 62.115 61.300 -0.452 0.000 1.380 503 I CB -0.278 37.410 38.000 -0.520 0.000 1.067 503 I HN 0.193 nan 8.210 nan 0.000 0.413 504 S N 0.739 116.321 115.700 -0.196 0.000 2.359 504 S HA -0.243 4.228 4.470 0.001 0.000 0.222 504 S C 1.643 176.180 174.600 -0.104 0.000 1.038 504 S CA 1.843 59.969 58.200 -0.124 0.000 1.051 504 S CB -0.411 62.738 63.200 -0.085 0.000 0.944 504 S HN 0.428 nan 8.310 nan 0.000 0.433 505 D N 1.322 121.665 120.400 -0.096 0.000 2.106 505 D HA -0.087 4.553 4.640 0.001 0.000 0.191 505 D C 2.003 178.263 176.300 -0.067 0.000 0.997 505 D CA 0.891 54.850 54.000 -0.068 0.000 0.834 505 D CB -0.577 40.189 40.800 -0.057 0.000 0.956 505 D HN 0.282 nan 8.370 nan 0.000 0.448 506 L N 0.320 121.483 121.223 -0.100 0.000 1.990 506 L HA -0.195 4.146 4.340 0.001 0.000 0.213 506 L C 2.663 179.507 176.870 -0.043 0.000 1.072 506 L CA 0.843 55.641 54.840 -0.070 0.000 0.755 506 L CB -0.464 41.528 42.059 -0.113 0.000 0.889 506 L HN 0.072 nan 8.230 nan 0.000 0.432 507 L N -0.541 120.629 121.223 -0.088 0.000 2.127 507 L HA -0.229 4.112 4.340 0.001 0.000 0.211 507 L C 2.754 179.617 176.870 -0.011 0.000 1.089 507 L CA 0.957 55.779 54.840 -0.031 0.000 0.757 507 L CB -0.535 41.490 42.059 -0.057 0.000 0.899 507 L HN 0.255 nan 8.230 nan 0.000 0.434 508 K N 0.651 121.037 120.400 -0.023 0.000 2.032 508 K HA -0.077 4.244 4.320 0.001 0.000 0.209 508 K C 1.161 177.760 176.600 -0.002 0.000 1.048 508 K CA 1.059 57.339 56.287 -0.012 0.000 0.927 508 K CB -1.326 31.164 32.500 -0.018 0.000 0.712 508 K HN 0.244 nan 8.250 nan 0.000 0.441 509 L N 2.078 123.301 121.223 -0.000 0.000 2.540 509 L HA 0.378 4.719 4.340 0.001 0.000 0.276 509 L C 0.607 177.485 176.870 0.014 0.000 1.212 509 L CA 1.060 55.904 54.840 0.007 0.000 0.893 509 L CB -1.337 40.728 42.059 0.010 0.000 1.138 509 L HN 0.470 nan 8.230 nan 0.000 0.491 510 E N 0.000 120.207 120.200 0.012 0.000 2.725 510 E HA 0.000 4.351 4.350 0.001 0.000 0.291 510 E CA 0.000 56.408 56.400 0.014 0.000 0.976 510 E CB 0.000 nan 29.700 nan 0.000 0.812 510 E HN 0.000 nan 8.360 nan 0.000 0.440