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 1mnd_1_A DATA FIRST_RESID 2 DATA SEQUENCE NPIHDRTSDY HKYLKVKQXX XXXXXXTVSD KRYIWYNPDP DERDSYECGE DATA SEQUENCE IVSETSDSFT FKTVXXQDRQ VKKDDANQRN PIKFDGVEDM SELSYLNEPA DATA SEQUENCE VFHNLRVRYN QDLIYTYSGL FLVAVNPFKR IPIYTQEMVD IFKGRRRNEV DATA SEQUENCE APHIFAISDV AYRSMLDDRQ NQSLLITGES GAGKTENTKK VIQYLASVAG DATA SEQUENCE XXXXXXXXVL EQQILQANPI LEAFGNAKTT RNNNSSRFGK FIEIQFNNAG DATA SEQUENCE FISGASIQSY LLEKSRVVFQ SETERNYHIF YQLLAGATAE EKKALHLAGP DATA SEQUENCE ESFNYLNQSG CVDIKGVSDE DEFKITRQAM DIVGFSQEEQ MSIFKIIAGI DATA SEQUENCE LHLGNIKFEK GAGEGAVLKD KTALNAASTV FGVNPSVLEK ALMEPRILAG DATA SEQUENCE RDLVAQHLNV EKSSSSRDAL VKALYGRLFL WLVKKINNVL CSXRAAYFIG DATA SEQUENCE VLDISGFEIF KVNSFEQLCI NYTNEKLQQF FNHHMXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXDSQ ATIDLIDGRQ PPGILALLDE QSVFPNATDN TLITKLHSHF DATA SEQUENCE SKKNAKYEEP RFSKTEFGVT HYAGQVMYEI QDWLEKNKDP LQQDLELCFK DATA SEQUENCE DSSDNVVTKL FNDPNIASRX XXXXXFITVA AQYKEQLASL MATLETTNPH DATA SEQUENCE FVRCIIPNNK QLPAKLEDKV VLDQLRCNGV LEXIRITRK 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 2 N HA 0.000 nan 4.740 nan 0.000 0.220 2 N C 0.000 175.507 175.510 -0.004 0.000 1.280 2 N CA 0.000 53.052 53.050 0.004 0.000 0.885 2 N CB 0.000 38.517 38.487 0.050 0.000 1.341 3 P HA -0.113 nan 4.420 nan 0.000 0.216 3 P C 1.787 179.008 177.300 -0.132 0.000 1.153 3 P CA 0.912 63.980 63.100 -0.052 0.000 0.858 3 P CB 0.500 32.157 31.700 -0.072 0.000 0.789 4 I N -0.887 119.436 120.570 -0.412 0.000 2.113 4 I HA -0.262 3.907 4.170 -0.001 0.000 0.242 4 I C 1.148 177.125 176.117 -0.233 0.000 1.064 4 I CA 1.906 62.843 61.300 -0.605 0.000 1.320 4 I CB -0.570 36.998 38.000 -0.719 0.000 1.028 4 I HN 0.143 nan 8.210 nan 0.000 0.406 5 H N -1.481 117.611 119.070 0.037 0.000 2.469 5 H HA 0.268 4.823 4.556 -0.001 0.000 0.286 5 H C -0.793 174.482 175.328 -0.088 0.000 1.106 5 H CA -0.469 55.606 56.048 0.045 0.000 1.055 5 H CB -0.290 29.476 29.762 0.007 0.000 1.618 5 H HN 0.039 nan 8.280 nan 0.000 0.559 6 D N 0.769 121.159 120.400 -0.017 0.000 2.428 6 D HA 0.113 4.753 4.640 -0.001 0.000 0.221 6 D C 1.359 177.407 176.300 -0.420 0.000 1.123 6 D CA -0.340 53.588 54.000 -0.120 0.000 0.869 6 D CB 0.675 41.461 40.800 -0.025 0.000 1.032 6 D HN 0.171 nan 8.370 nan 0.000 0.506 7 R N 1.606 121.775 120.500 -0.552 0.000 2.397 7 R HA -0.098 4.241 4.340 -0.001 0.000 0.213 7 R C 0.995 177.118 176.300 -0.296 0.000 1.102 7 R CA 1.602 57.263 56.100 -0.733 0.000 1.040 7 R CB 0.053 30.164 30.300 -0.315 0.000 0.844 7 R HN 0.417 nan 8.270 nan 0.000 0.478 8 T N -3.202 111.255 114.554 -0.163 0.000 3.023 8 T HA 0.154 4.503 4.350 -0.001 0.000 0.253 8 T C 0.652 175.358 174.700 0.009 0.000 1.038 8 T CA -0.000 62.069 62.100 -0.052 0.000 0.962 8 T CB 0.200 69.042 68.868 -0.044 0.000 1.018 8 T HN 0.173 nan 8.240 nan 0.000 0.521 9 S N 1.744 117.489 115.700 0.074 0.000 2.603 9 S HA 0.255 4.724 4.470 -0.001 0.000 0.268 9 S C 0.355 175.029 174.600 0.124 0.000 1.317 9 S CA -0.551 57.726 58.200 0.129 0.000 1.012 9 S CB 0.942 64.252 63.200 0.183 0.000 0.926 9 S HN 0.029 nan 8.310 nan 0.000 0.539 10 D N 0.531 121.008 120.400 0.128 0.000 2.106 10 D HA -0.161 4.478 4.640 -0.001 0.000 0.191 10 D C 1.503 177.868 176.300 0.108 0.000 0.997 10 D CA 1.961 56.017 54.000 0.093 0.000 0.834 10 D CB -0.751 40.288 40.800 0.399 0.000 0.956 10 D HN 0.779 nan 8.370 nan 0.000 0.448 11 Y N 0.760 121.132 120.300 0.120 0.000 2.172 11 Y HA -0.367 4.182 4.550 -0.001 0.000 0.280 11 Y C 2.374 178.251 175.900 -0.039 0.000 1.209 11 Y CA 2.033 60.185 58.100 0.086 0.000 1.171 11 Y CB -0.209 38.278 38.460 0.045 0.000 0.965 11 Y HN 0.199 nan 8.280 nan 0.000 0.520 12 H N 0.081 119.189 119.070 0.064 0.000 2.284 12 H HA -0.113 4.442 4.556 -0.001 0.000 0.304 12 H C 2.333 177.553 175.328 -0.180 0.000 1.069 12 H CA 1.793 57.818 56.048 -0.038 0.000 1.327 12 H CB -0.176 29.610 29.762 0.040 0.000 1.387 12 H HN 0.360 nan 8.280 nan 0.000 0.498 13 K N 0.221 120.528 120.400 -0.155 0.000 2.001 13 K HA -0.249 4.070 4.320 -0.001 0.000 0.223 13 K C 2.090 178.403 176.600 -0.479 0.000 1.055 13 K CA 2.505 58.523 56.287 -0.448 0.000 0.965 13 K CB -0.348 31.618 32.500 -0.890 0.000 0.730 13 K HN 0.203 nan 8.250 nan 0.000 0.449 14 Y N -0.034 120.214 120.300 -0.086 0.000 2.420 14 Y HA 0.067 4.617 4.550 -0.001 0.000 0.292 14 Y C 1.855 177.635 175.900 -0.201 0.000 1.119 14 Y CA 0.552 58.575 58.100 -0.127 0.000 1.229 14 Y CB 0.026 38.428 38.460 -0.097 0.000 1.026 14 Y HN 0.042 nan 8.280 nan 0.000 0.554 15 L N -0.677 120.413 121.223 -0.222 0.000 2.556 15 L HA 0.158 4.497 4.340 -0.001 0.000 0.226 15 L C 0.185 176.840 176.870 -0.359 0.000 1.089 15 L CA 0.150 54.806 54.840 -0.308 0.000 0.864 15 L CB 0.093 41.862 42.059 -0.483 0.000 1.067 15 L HN -0.134 nan 8.230 nan 0.000 0.477 16 K N 1.140 121.284 120.400 -0.426 0.000 2.182 16 K HA 0.376 4.695 4.320 -0.001 0.000 0.262 16 K C -0.544 175.926 176.600 -0.217 0.000 0.957 16 K CA -0.671 55.384 56.287 -0.386 0.000 0.842 16 K CB 2.918 35.002 32.500 -0.693 0.000 1.099 16 K HN -0.306 nan 8.250 nan 0.000 0.438 17 V N 3.539 123.364 119.914 -0.148 0.000 2.450 17 V HA -0.032 4.087 4.120 -0.001 0.000 0.281 17 V C 0.466 176.528 176.094 -0.053 0.000 1.019 17 V CA 0.074 62.321 62.300 -0.089 0.000 1.062 17 V CB 0.176 31.958 31.823 -0.069 0.000 0.979 17 V HN 0.479 nan 8.190 nan 0.000 0.477 18 K N 4.889 125.263 120.400 -0.044 0.000 2.298 18 K HA 0.489 4.808 4.320 -0.001 0.000 0.280 18 K C 0.391 176.983 176.600 -0.013 0.000 1.032 18 K CA 0.374 56.652 56.287 -0.015 0.000 0.958 18 K CB 0.971 33.461 32.500 -0.017 0.000 0.978 18 K HN 0.839 nan 8.250 nan 0.000 0.472 29 V N 3.324 123.238 119.914 0.000 0.000 2.416 29 V HA 0.479 4.599 4.120 -0.001 0.000 0.267 29 V C 0.423 176.531 176.094 0.023 0.000 1.007 29 V CA 0.898 63.204 62.300 0.009 0.000 1.102 29 V CB 0.172 31.999 31.823 0.006 0.000 1.035 29 V HN 0.688 nan 8.190 nan 0.000 0.473 30 S N 3.734 119.456 115.700 0.036 0.000 2.501 30 S HA 0.539 5.009 4.470 -0.001 0.000 0.301 30 S C 0.961 175.603 174.600 0.070 0.000 1.096 30 S CA 0.002 58.234 58.200 0.055 0.000 1.063 30 S CB 1.890 65.133 63.200 0.071 0.000 1.042 30 S HN 0.821 nan 8.310 nan 0.000 0.494 31 D N 3.192 123.630 120.400 0.063 0.000 2.234 31 D HA 0.106 4.745 4.640 -0.001 0.000 0.205 31 D C 0.632 176.976 176.300 0.072 0.000 0.962 31 D CA 0.624 54.660 54.000 0.060 0.000 0.855 31 D CB -0.234 40.590 40.800 0.040 0.000 0.951 31 D HN 0.424 nan 8.370 nan 0.000 0.500 32 K N 1.483 121.938 120.400 0.091 0.000 2.405 32 K HA 0.100 4.419 4.320 -0.001 0.000 0.276 32 K C 0.160 176.850 176.600 0.149 0.000 1.099 32 K CA 0.127 56.464 56.287 0.083 0.000 1.120 32 K CB 0.056 32.662 32.500 0.176 0.000 0.877 32 K HN 0.401 nan 8.250 nan 0.000 0.472 33 R N 2.663 123.116 120.500 -0.078 0.000 2.536 33 R HA 0.363 4.702 4.340 -0.001 0.000 0.279 33 R C -0.129 175.959 176.300 -0.352 0.000 1.001 33 R CA -0.511 55.571 56.100 -0.030 0.000 1.027 33 R CB 0.859 31.142 30.300 -0.029 0.000 1.096 33 R HN 0.450 nan 8.270 nan 0.000 0.502 34 Y N 0.579 120.767 120.300 -0.186 0.000 2.805 34 Y HA 0.621 5.170 4.550 -0.001 0.000 0.321 34 Y C 0.334 175.975 175.900 -0.433 0.000 1.203 34 Y CA -1.004 56.919 58.100 -0.296 0.000 1.165 34 Y CB 1.764 40.016 38.460 -0.346 0.000 1.371 34 Y HN 0.184 nan 8.280 nan 0.000 0.564 35 I N -0.086 120.294 120.570 -0.317 0.000 2.785 35 I HA 0.064 4.233 4.170 -0.001 0.000 0.293 35 I C -2.039 173.863 176.117 -0.359 0.000 1.446 35 I CA -0.728 60.307 61.300 -0.441 0.000 1.028 35 I CB 2.093 39.696 38.000 -0.661 0.000 1.349 35 I HN 0.632 nan 8.210 nan 0.000 0.438 36 W N 6.762 127.998 121.300 -0.107 0.000 2.433 36 W HA 0.572 5.232 4.660 -0.001 0.000 0.315 36 W C -0.399 176.223 176.519 0.173 0.000 1.087 36 W CA -0.357 56.984 57.345 -0.007 0.000 1.205 36 W CB 1.173 30.488 29.460 -0.240 0.000 1.288 36 W HN 0.416 nan 8.180 nan 0.000 0.504 37 Y N -0.210 120.358 120.300 0.446 0.000 2.705 37 Y HA 0.525 5.074 4.550 -0.001 0.000 0.332 37 Y C -1.362 174.692 175.900 0.256 0.000 1.221 37 Y CA -2.013 56.282 58.100 0.325 0.000 1.059 37 Y CB 1.001 39.550 38.460 0.148 0.000 1.298 37 Y HN 0.373 nan 8.280 nan 0.000 0.459 38 N N 2.860 121.582 118.700 0.037 0.000 2.439 38 N HA 0.363 5.102 4.740 -0.001 0.000 0.249 38 N C -2.366 173.200 175.510 0.093 0.000 1.003 38 N CA -1.615 51.345 53.050 -0.150 0.000 0.942 38 N CB 1.580 39.978 38.487 -0.148 0.000 1.115 38 N HN 0.447 nan 8.380 nan 0.000 0.505 39 P HA -0.109 nan 4.420 nan 0.000 0.215 39 P C -0.168 177.182 177.300 0.084 0.000 1.157 39 P CA 1.183 64.361 63.100 0.131 0.000 0.859 39 P CB 0.230 31.948 31.700 0.029 0.000 0.786 40 D N -0.550 119.847 120.400 -0.005 0.000 2.396 40 D HA 0.104 4.743 4.640 -0.001 0.000 0.225 40 D C -1.670 174.615 176.300 -0.027 0.000 1.121 40 D CA -2.494 51.499 54.000 -0.011 0.000 0.853 40 D CB 0.682 41.465 40.800 -0.029 0.000 1.043 40 D HN -0.021 nan 8.370 nan 0.000 0.500 41 P HA -0.056 nan 4.420 nan 0.000 0.222 41 P C 0.893 178.182 177.300 -0.019 0.000 1.147 41 P CA 1.094 64.199 63.100 0.009 0.000 0.790 41 P CB 0.089 31.808 31.700 0.031 0.000 0.780 42 D N 0.025 120.411 120.400 -0.024 0.000 2.084 42 D HA -0.050 4.589 4.640 -0.001 0.000 0.196 42 D C 1.281 177.549 176.300 -0.053 0.000 0.985 42 D CA 1.414 55.395 54.000 -0.031 0.000 0.826 42 D CB -1.047 nan 40.800 nan 0.000 0.978 42 D HN 0.361 nan 8.370 nan 0.000 0.456 43 E N -0.492 119.664 120.200 -0.073 0.000 1.993 43 E HA 0.577 4.926 4.350 -0.001 0.000 0.271 43 E C 1.258 177.760 176.600 -0.165 0.000 1.008 43 E CA 0.268 56.606 56.400 -0.102 0.000 0.814 43 E CB -0.208 29.436 29.700 -0.093 0.000 1.098 43 E HN 0.728 nan 8.360 nan 0.000 0.407 44 R N 1.079 121.482 120.500 -0.161 0.000 2.285 44 R HA -0.033 4.306 4.340 -0.001 0.000 0.213 44 R C 1.000 177.087 176.300 -0.355 0.000 1.068 44 R CA 1.295 57.264 56.100 -0.220 0.000 1.004 44 R CB -0.292 29.941 30.300 -0.112 0.000 0.873 44 R HN 0.527 nan 8.270 nan 0.000 0.467 45 D N -0.417 119.822 120.400 -0.269 0.000 2.358 45 D HA 0.158 4.797 4.640 -0.001 0.000 0.224 45 D C -0.718 175.448 176.300 -0.224 0.000 1.123 45 D CA 0.371 54.246 54.000 -0.208 0.000 0.833 45 D CB 0.526 41.235 40.800 -0.150 0.000 0.946 45 D HN 0.250 nan 8.370 nan 0.000 0.505 46 S N 0.317 115.776 115.700 -0.401 0.000 2.594 46 S HA 0.387 4.856 4.470 -0.001 0.000 0.322 46 S C -0.845 173.482 174.600 -0.455 0.000 1.085 46 S CA -0.543 57.497 58.200 -0.265 0.000 1.116 46 S CB 0.392 63.495 63.200 -0.162 0.000 0.979 46 S HN 0.042 nan 8.310 nan 0.000 0.465 47 Y N 1.070 121.326 120.300 -0.074 0.000 2.446 47 Y HA 0.677 5.226 4.550 -0.001 0.000 0.338 47 Y C 0.408 176.253 175.900 -0.091 0.000 1.055 47 Y CA -1.187 56.839 58.100 -0.122 0.000 1.101 47 Y CB 1.021 39.503 38.460 0.037 0.000 1.221 47 Y HN 0.351 nan 8.280 nan 0.000 0.460 48 E N 0.661 120.753 120.200 -0.180 0.000 2.221 48 E HA 0.367 4.716 4.350 -0.001 0.000 0.268 48 E C -1.449 175.252 176.600 0.168 0.000 0.933 48 E CA -1.103 55.261 56.400 -0.061 0.000 0.809 48 E CB 1.615 31.167 29.700 -0.245 0.000 1.190 48 E HN 0.714 nan 8.360 nan 0.000 0.406 49 C N 3.722 123.122 119.300 0.167 0.000 2.303 49 C HA 0.896 5.355 4.460 -0.001 0.000 0.341 49 C C 0.482 175.576 174.990 0.173 0.000 1.244 49 C CA 0.036 58.976 59.018 -0.129 0.000 1.765 49 C CB -1.413 25.895 27.740 -0.721 0.000 2.379 49 C HN 0.625 nan 8.230 nan 0.000 0.530 50 G N 3.841 112.772 108.800 0.218 0.000 2.454 50 G HA2 0.686 4.645 3.960 -0.001 0.000 0.329 50 G HA3 0.686 4.645 3.960 -0.001 0.000 0.329 50 G C -0.767 174.103 174.900 -0.049 0.000 1.177 50 G CA -0.020 45.171 45.100 0.151 0.000 0.951 50 G HN 1.171 nan 8.290 nan 0.000 0.485 51 E N 0.932 121.020 120.200 -0.186 0.000 2.133 51 E HA 0.510 4.859 4.350 -0.001 0.000 0.274 51 E C 0.117 176.542 176.600 -0.292 0.000 0.930 51 E CA -0.999 55.057 56.400 -0.574 0.000 0.770 51 E CB 1.453 30.772 29.700 -0.635 0.000 1.104 51 E HN 0.982 nan 8.360 nan 0.000 0.403 52 I N 2.216 122.593 120.570 -0.322 0.000 2.517 52 I HA 0.437 4.606 4.170 -0.001 0.000 0.285 52 I C 0.965 177.025 176.117 -0.094 0.000 1.106 52 I CA 0.046 61.274 61.300 -0.119 0.000 1.402 52 I CB 0.725 38.679 38.000 -0.076 0.000 1.399 52 I HN 0.512 nan 8.210 nan 0.000 0.535 53 V N 5.677 125.573 119.914 -0.030 0.000 2.374 53 V HA 0.051 4.170 4.120 -0.001 0.000 0.241 53 V C 1.187 177.282 176.094 0.001 0.000 1.034 53 V CA 1.757 64.036 62.300 -0.036 0.000 1.037 53 V CB -0.338 31.458 31.823 -0.045 0.000 0.682 53 V HN 0.824 nan 8.190 nan 0.000 0.463 54 S N -0.760 114.960 115.700 0.034 0.000 2.697 54 S HA 0.701 5.171 4.470 -0.001 0.000 0.289 54 S C -1.103 173.555 174.600 0.097 0.000 1.149 54 S CA 0.240 58.467 58.200 0.046 0.000 0.850 54 S CB 1.958 65.168 63.200 0.018 0.000 1.151 54 S HN 1.006 nan 8.310 nan 0.000 0.491 55 E N -0.181 120.057 120.200 0.064 0.000 2.354 55 E HA 0.549 4.899 4.350 -0.001 0.000 0.283 55 E C -0.672 175.908 176.600 -0.034 0.000 0.938 55 E CA -0.775 55.645 56.400 0.033 0.000 0.777 55 E CB 0.954 30.694 29.700 0.067 0.000 1.222 55 E HN 0.880 nan 8.360 nan 0.000 0.423 56 T N 0.691 115.198 114.554 -0.077 0.000 2.881 56 T HA 0.556 4.905 4.350 -0.001 0.000 0.278 56 T C 1.370 176.001 174.700 -0.114 0.000 0.982 56 T CA 0.045 62.099 62.100 -0.076 0.000 0.989 56 T CB 0.744 69.574 68.868 -0.063 0.000 1.058 56 T HN 0.656 nan 8.240 nan 0.000 0.529 57 S N 0.031 115.682 115.700 -0.081 0.000 2.420 57 S HA -0.080 4.390 4.470 -0.001 0.000 0.237 57 S C 1.633 176.166 174.600 -0.113 0.000 1.023 57 S CA 2.407 60.558 58.200 -0.081 0.000 0.991 57 S CB -0.532 62.639 63.200 -0.050 0.000 0.792 57 S HN 0.903 nan 8.310 nan 0.000 0.488 58 D N -1.401 118.928 120.400 -0.120 0.000 2.449 58 D HA 0.266 4.905 4.640 -0.001 0.000 0.210 58 D C 0.512 176.696 176.300 -0.193 0.000 1.094 58 D CA 0.557 54.481 54.000 -0.127 0.000 0.846 58 D CB 0.147 40.903 40.800 -0.073 0.000 1.003 58 D HN 0.338 nan 8.370 nan 0.000 0.504 59 S N -1.197 114.358 115.700 -0.241 0.000 2.618 59 S HA 0.663 5.132 4.470 -0.001 0.000 0.277 59 S C -1.436 172.948 174.600 -0.359 0.000 1.138 59 S CA -0.961 57.085 58.200 -0.257 0.000 0.844 59 S CB 0.662 63.817 63.200 -0.075 0.000 1.127 59 S HN 0.022 nan 8.310 nan 0.000 0.474 60 F N 0.988 120.971 119.950 0.056 0.000 2.483 60 F HA 0.628 5.154 4.527 -0.002 0.000 0.329 60 F C 0.581 176.466 175.800 0.143 0.000 1.064 60 F CA -0.570 57.478 58.000 0.080 0.000 0.986 60 F CB 2.485 41.526 39.000 0.069 0.000 1.218 60 F HN 0.506 nan 8.300 nan 0.000 0.484 61 T N 2.915 117.685 114.554 0.360 0.000 2.879 61 T HA 0.571 4.921 4.350 -0.001 0.000 0.290 61 T C -1.154 173.668 174.700 0.204 0.000 0.993 61 T CA -0.598 61.610 62.100 0.179 0.000 0.975 61 T CB 0.724 69.618 68.868 0.044 0.000 0.981 61 T HN 0.421 nan 8.240 nan 0.000 0.439 62 F N -0.447 119.451 119.950 -0.087 0.000 2.588 62 F HA 0.822 5.348 4.527 -0.001 0.000 0.314 62 F C -0.413 175.270 175.800 -0.196 0.000 1.069 62 F CA -1.658 56.243 58.000 -0.166 0.000 0.931 62 F CB 1.336 40.203 39.000 -0.221 0.000 1.260 62 F HN 0.088 nan 8.300 nan 0.000 0.465 63 K N 2.136 122.499 120.400 -0.061 0.000 2.292 63 K HA 0.274 4.593 4.320 -0.001 0.000 0.290 63 K C -0.143 176.395 176.600 -0.102 0.000 1.083 63 K CA -0.080 56.139 56.287 -0.114 0.000 0.918 63 K CB 0.654 33.111 32.500 -0.071 0.000 1.089 63 K HN 0.711 nan 8.250 nan 0.000 0.473 64 T N 1.833 116.267 114.554 -0.200 0.000 2.908 64 T HA 0.054 4.404 4.350 -0.001 0.000 0.325 64 T C 0.733 175.453 174.700 0.033 0.000 1.092 64 T CA 0.202 62.222 62.100 -0.133 0.000 1.125 64 T CB 0.327 69.131 68.868 -0.107 0.000 1.016 64 T HN 0.453 nan 8.240 nan 0.000 0.550 69 D N -0.433 119.853 120.400 -0.190 0.000 2.351 69 D HA 0.571 5.210 4.640 -0.001 0.000 0.235 69 D C 0.272 176.343 176.300 -0.383 0.000 1.331 69 D CA 0.606 54.446 54.000 -0.267 0.000 0.959 69 D CB 1.114 41.810 40.800 -0.173 0.000 1.432 69 D HN 0.861 nan 8.370 nan 0.000 0.544 70 R N 1.319 121.391 120.500 -0.713 0.000 2.606 70 R HA 0.869 5.208 4.340 -0.001 0.000 0.249 70 R C -0.202 175.569 176.300 -0.882 0.000 1.127 70 R CA -0.623 54.975 56.100 -0.837 0.000 1.133 70 R CB 0.521 30.312 30.300 -0.849 0.000 1.243 70 R HN 0.465 nan 8.270 nan 0.000 0.558 71 Q N 0.087 119.609 119.800 -0.463 0.000 2.347 71 Q HA 0.652 4.991 4.340 -0.001 0.000 0.271 71 Q C -1.910 174.198 176.000 0.181 0.000 1.064 71 Q CA -0.767 54.986 55.803 -0.082 0.000 0.800 71 Q CB 2.344 31.047 28.738 -0.058 0.000 1.304 71 Q HN 0.626 nan 8.270 nan 0.000 0.438 72 V N 3.433 123.561 119.914 0.356 0.000 2.808 72 V HA 0.492 4.611 4.120 -0.001 0.000 0.308 72 V C -1.443 174.788 176.094 0.227 0.000 1.099 72 V CA -0.800 61.702 62.300 0.337 0.000 0.920 72 V CB 2.047 34.116 31.823 0.410 0.000 1.014 72 V HN 0.871 nan 8.190 nan 0.000 0.425 73 K N 5.938 126.425 120.400 0.144 0.000 2.451 73 K HA 0.245 4.564 4.320 -0.001 0.000 0.280 73 K C 0.855 177.515 176.600 0.101 0.000 1.020 73 K CA 0.587 56.919 56.287 0.075 0.000 1.008 73 K CB 0.840 33.372 32.500 0.053 0.000 0.917 73 K HN 0.710 nan 8.250 nan 0.000 0.478 74 K N 2.681 123.063 120.400 -0.030 0.000 1.987 74 K HA -0.200 4.119 4.320 -0.001 0.000 0.216 74 K C 1.101 177.769 176.600 0.113 0.000 1.051 74 K CA 2.237 58.506 56.287 -0.030 0.000 0.942 74 K CB -0.267 31.984 32.500 -0.415 0.000 0.722 74 K HN 0.708 nan 8.250 nan 0.000 0.444 75 D N 0.783 121.209 120.400 0.043 0.000 2.322 75 D HA -0.175 4.464 4.640 -0.001 0.000 0.210 75 D C 1.240 177.585 176.300 0.074 0.000 0.983 75 D CA 1.405 55.439 54.000 0.056 0.000 0.902 75 D CB -0.244 40.576 40.800 0.034 0.000 0.905 75 D HN 0.486 nan 8.370 nan 0.000 0.483 76 D N -0.849 119.604 120.400 0.089 0.000 2.431 76 D HA 0.143 4.783 4.640 -0.001 0.000 0.213 76 D C 0.364 176.731 176.300 0.112 0.000 1.130 76 D CA -0.297 53.758 54.000 0.093 0.000 0.834 76 D CB 0.147 40.993 40.800 0.078 0.000 0.985 76 D HN -0.003 nan 8.370 nan 0.000 0.504 77 A N 0.531 123.437 122.820 0.145 0.000 2.366 77 A HA 0.337 4.656 4.320 -0.001 0.000 0.249 77 A C 0.108 177.701 177.584 0.016 0.000 1.084 77 A CA -0.342 51.763 52.037 0.112 0.000 0.794 77 A CB 0.228 19.382 19.000 0.255 0.000 1.034 77 A HN 0.315 nan 8.150 nan 0.000 0.491 78 N N 0.911 119.578 118.700 -0.056 0.000 2.790 78 N HA 0.163 4.902 4.740 -0.001 0.000 0.256 78 N C -1.069 174.384 175.510 -0.096 0.000 1.409 78 N CA -0.151 52.870 53.050 -0.049 0.000 0.799 78 N CB 0.658 39.169 38.487 0.040 0.000 1.170 78 N HN 0.742 nan 8.380 nan 0.000 0.507 79 Q N 0.955 120.570 119.800 -0.308 0.000 2.395 79 Q HA 0.063 4.402 4.340 -0.001 0.000 0.271 79 Q C 0.212 176.133 176.000 -0.131 0.000 1.026 79 Q CA 0.464 55.994 55.803 -0.455 0.000 0.900 79 Q CB 1.311 29.467 28.738 -0.971 0.000 1.266 79 Q HN 0.320 nan 8.270 nan 0.000 0.430 80 R N 1.901 122.303 120.500 -0.162 0.000 2.390 80 R HA 0.096 4.435 4.340 -0.001 0.000 0.291 80 R C -0.565 175.906 176.300 0.284 0.000 1.070 80 R CA -0.467 55.642 56.100 0.015 0.000 1.014 80 R CB 0.568 30.538 30.300 -0.550 0.000 1.007 80 R HN 0.575 nan 8.270 nan 0.000 0.466 81 N N 4.696 123.660 118.700 0.439 0.000 2.520 81 N HA 0.170 4.909 4.740 -0.001 0.000 0.273 81 N C -2.404 173.322 175.510 0.360 0.000 1.155 81 N CA -1.478 51.805 53.050 0.388 0.000 0.967 81 N CB 1.021 39.600 38.487 0.154 0.000 1.092 81 N HN 0.435 nan 8.380 nan 0.000 0.457 82 P HA 0.000 nan 4.420 nan 0.000 0.263 82 P C 1.340 178.809 177.300 0.281 0.000 1.195 82 P CA -0.290 62.992 63.100 0.303 0.000 0.762 82 P CB 0.629 32.500 31.700 0.284 0.000 0.799 83 I N 3.270 123.920 120.570 0.134 0.000 2.358 83 I HA -0.301 3.868 4.170 -0.001 0.000 0.257 83 I C 2.124 178.275 176.117 0.056 0.000 1.123 83 I CA 1.852 63.205 61.300 0.090 0.000 1.393 83 I CB -0.710 37.297 38.000 0.012 0.000 1.073 83 I HN 0.557 nan 8.210 nan 0.000 0.437 84 K N 0.409 120.808 120.400 -0.001 0.000 2.097 84 K HA -0.216 4.103 4.320 -0.001 0.000 0.206 84 K C 2.259 178.790 176.600 -0.115 0.000 1.049 84 K CA 1.630 57.851 56.287 -0.111 0.000 0.933 84 K CB -0.566 31.790 32.500 -0.240 0.000 0.717 84 K HN 0.220 nan 8.250 nan 0.000 0.442 85 F N 1.968 121.921 119.950 0.005 0.000 2.259 85 F HA -0.048 4.479 4.527 -0.001 0.000 0.298 85 F C 0.404 176.200 175.800 -0.006 0.000 1.088 85 F CA 0.245 58.246 58.000 0.002 0.000 1.358 85 F CB -0.023 38.986 39.000 0.016 0.000 1.040 85 F HN -0.019 nan 8.300 nan 0.000 0.505 86 D N 0.437 120.949 120.400 0.186 0.000 2.389 86 D HA 0.275 4.914 4.640 -0.001 0.000 0.278 86 D C 0.985 177.274 176.300 -0.018 0.000 1.398 86 D CA 1.127 55.154 54.000 0.045 0.000 1.090 86 D CB 0.055 40.867 40.800 0.020 0.000 1.108 86 D HN 0.439 nan 8.370 nan 0.000 0.532 87 G N 0.406 109.197 108.800 -0.015 0.000 3.611 87 G HA2 -0.174 3.786 3.960 -0.001 0.000 0.217 87 G HA3 -0.174 3.786 3.960 -0.001 0.000 0.217 87 G C 0.336 175.237 174.900 0.002 0.000 1.023 87 G CA -0.146 44.937 45.100 -0.030 0.000 0.887 87 G HN 0.615 nan 8.290 nan 0.000 0.420 88 V N 0.663 120.604 119.914 0.044 0.000 2.902 88 V HA 0.242 4.361 4.120 -0.001 0.000 0.297 88 V C 0.892 177.018 176.094 0.054 0.000 1.230 88 V CA 1.657 63.995 62.300 0.065 0.000 1.344 88 V CB 0.702 32.597 31.823 0.120 0.000 0.889 88 V HN 0.562 nan 8.190 nan 0.000 0.515 89 E N 1.431 121.676 120.200 0.075 0.000 2.474 89 E HA 0.194 4.543 4.350 -0.001 0.000 0.195 89 E C -0.193 176.519 176.600 0.185 0.000 1.039 89 E CA 0.384 56.846 56.400 0.102 0.000 0.881 89 E CB 0.348 30.127 29.700 0.132 0.000 0.970 89 E HN 0.870 nan 8.360 nan 0.000 0.486 90 D N 0.236 120.720 120.400 0.139 0.000 2.330 90 D HA 0.170 4.809 4.640 -0.001 0.000 0.249 90 D C 0.263 176.601 176.300 0.063 0.000 1.306 90 D CA -0.346 53.730 54.000 0.127 0.000 0.956 90 D CB 0.828 41.685 40.800 0.094 0.000 1.261 90 D HN -0.145 nan 8.370 nan 0.000 0.544 91 M N 0.823 120.448 119.600 0.040 0.000 2.426 91 M HA -0.130 4.349 4.480 -0.001 0.000 0.261 91 M C 1.676 177.969 176.300 -0.011 0.000 1.068 91 M CA 1.059 56.365 55.300 0.011 0.000 1.066 91 M CB 0.065 32.666 32.600 0.002 0.000 1.399 91 M HN 0.193 nan 8.290 nan 0.000 0.449 92 S N -0.283 115.408 115.700 -0.015 0.000 2.500 92 S HA -0.140 4.329 4.470 -0.001 0.000 0.239 92 S C 1.578 176.168 174.600 -0.015 0.000 0.989 92 S CA 0.936 59.119 58.200 -0.028 0.000 0.951 92 S CB -0.346 62.830 63.200 -0.039 0.000 0.759 92 S HN 0.573 nan 8.310 nan 0.000 0.523 93 E N 0.272 120.479 120.200 0.012 0.000 2.340 93 E HA 0.144 4.493 4.350 -0.001 0.000 0.194 93 E C -0.110 176.489 176.600 -0.002 0.000 0.996 93 E CA -0.166 56.272 56.400 0.064 0.000 0.869 93 E CB 0.116 29.901 29.700 0.142 0.000 0.835 93 E HN 0.450 nan 8.360 nan 0.000 0.493 94 L N 1.452 122.576 121.223 -0.164 0.000 2.543 94 L HA -0.057 4.283 4.340 -0.001 0.000 0.285 94 L C 1.439 177.924 176.870 -0.642 0.000 1.236 94 L CA -0.142 54.363 54.840 -0.557 0.000 0.871 94 L CB 0.466 42.346 42.059 -0.298 0.000 1.121 94 L HN 0.083 nan 8.230 nan 0.000 0.501 95 S N 0.569 115.595 115.700 -1.123 0.000 2.470 95 S HA 0.029 4.498 4.470 -0.001 0.000 0.225 95 S C 0.174 174.399 174.600 -0.625 0.000 1.006 95 S CA 0.361 58.072 58.200 -0.815 0.000 0.934 95 S CB -0.127 62.522 63.200 -0.917 0.000 0.778 95 S HN 0.511 nan 8.310 nan 0.000 0.517 96 Y N 1.053 121.202 120.300 -0.252 0.000 2.332 96 Y HA 0.610 5.159 4.550 -0.001 0.000 0.326 96 Y C -0.066 175.773 175.900 -0.101 0.000 0.978 96 Y CA -0.981 57.048 58.100 -0.118 0.000 1.205 96 Y CB 1.235 39.655 38.460 -0.068 0.000 1.131 96 Y HN 0.125 nan 8.280 nan 0.000 0.462 97 L N 3.192 124.464 121.223 0.082 0.000 2.280 97 L HA 0.789 5.128 4.340 -0.001 0.000 0.287 97 L C -0.866 176.020 176.870 0.027 0.000 1.023 97 L CA -0.694 54.163 54.840 0.028 0.000 0.819 97 L CB 0.525 42.588 42.059 0.007 0.000 1.212 97 L HN 0.870 nan 8.230 nan 0.000 0.420 98 N N 0.217 118.912 118.700 -0.008 0.000 3.020 98 N HA 0.453 5.192 4.740 -0.001 0.000 0.248 98 N C 0.354 175.808 175.510 -0.093 0.000 1.480 98 N CA -0.367 52.660 53.050 -0.038 0.000 0.874 98 N CB 0.849 39.316 38.487 -0.034 0.000 1.433 98 N HN 0.358 nan 8.380 nan 0.000 0.530 99 E N -0.190 119.949 120.200 -0.100 0.000 2.048 99 E HA -0.111 4.238 4.350 -0.001 0.000 0.202 99 E C -1.015 175.463 176.600 -0.204 0.000 1.021 99 E CA 2.575 58.906 56.400 -0.116 0.000 0.825 99 E CB -1.102 28.554 29.700 -0.073 0.000 0.756 99 E HN 0.662 nan 8.360 nan 0.000 0.454 100 P HA -0.214 nan 4.420 nan 0.000 0.213 100 P C 1.169 178.036 177.300 -0.722 0.000 1.170 100 P CA 2.203 64.801 63.100 -0.837 0.000 0.898 100 P CB -0.144 30.645 31.700 -1.518 0.000 0.787 101 A N 0.075 122.559 122.820 -0.560 0.000 1.884 101 A HA -0.199 4.120 4.320 -0.001 0.000 0.219 101 A C 2.537 180.041 177.584 -0.132 0.000 1.197 101 A CA 2.891 54.778 52.037 -0.251 0.000 0.637 101 A CB -1.859 17.130 19.000 -0.018 0.000 0.827 101 A HN 0.100 nan 8.150 nan 0.000 0.450 102 V N -1.215 118.645 119.914 -0.090 0.000 2.490 102 V HA -0.205 3.914 4.120 -0.001 0.000 0.250 102 V C 2.277 178.373 176.094 0.003 0.000 1.061 102 V CA 1.918 64.200 62.300 -0.031 0.000 1.064 102 V CB -1.037 30.783 31.823 -0.005 0.000 0.670 102 V HN 0.597 nan 8.190 nan 0.000 0.461 103 F N 0.842 120.670 119.950 -0.204 0.000 2.134 103 F HA -0.165 4.361 4.527 -0.001 0.000 0.299 103 F C 2.419 178.125 175.800 -0.158 0.000 1.097 103 F CA 2.037 59.921 58.000 -0.193 0.000 1.264 103 F CB -0.866 37.992 39.000 -0.238 0.000 1.001 103 F HN 0.294 nan 8.300 nan 0.000 0.479 104 H N -0.264 118.492 119.070 -0.523 0.000 2.319 104 H HA -0.218 4.337 4.556 -0.001 0.000 0.299 104 H C 2.280 177.423 175.328 -0.308 0.000 1.092 104 H CA 1.479 57.205 56.048 -0.536 0.000 1.302 104 H CB -0.360 29.144 29.762 -0.429 0.000 1.373 104 H HN 0.218 nan 8.280 nan 0.000 0.497 105 N N 0.696 119.227 118.700 -0.282 0.000 2.061 105 N HA -0.161 4.578 4.740 -0.001 0.000 0.193 105 N C 2.033 177.423 175.510 -0.199 0.000 1.030 105 N CA 1.036 53.945 53.050 -0.235 0.000 0.856 105 N CB -0.239 38.187 38.487 -0.101 0.000 1.023 105 N HN 0.278 nan 8.380 nan 0.000 0.424 106 L N 1.681 122.809 121.223 -0.157 0.000 2.083 106 L HA -0.062 4.278 4.340 -0.001 0.000 0.209 106 L C 2.560 179.370 176.870 -0.100 0.000 1.083 106 L CA 1.088 55.873 54.840 -0.092 0.000 0.752 106 L CB -1.355 40.685 42.059 -0.032 0.000 0.899 106 L HN 0.288 nan 8.230 nan 0.000 0.433 107 R N -0.307 120.033 120.500 -0.267 0.000 2.088 107 R HA -0.159 4.181 4.340 -0.001 0.000 0.232 107 R C 2.262 178.493 176.300 -0.115 0.000 1.136 107 R CA 1.920 57.871 56.100 -0.248 0.000 0.926 107 R CB -0.401 29.620 30.300 -0.465 0.000 0.837 107 R HN 0.140 nan 8.270 nan 0.000 0.429 108 V N 1.743 121.515 119.914 -0.238 0.000 2.222 108 V HA -0.386 3.734 4.120 -0.001 0.000 0.252 108 V C 2.638 178.664 176.094 -0.113 0.000 1.060 108 V CA 2.517 64.697 62.300 -0.200 0.000 1.027 108 V CB -0.597 31.049 31.823 -0.294 0.000 0.644 108 V HN 0.492 nan 8.190 nan 0.000 0.448 109 R N -1.514 118.924 120.500 -0.103 0.000 2.083 109 R HA -0.233 4.106 4.340 -0.001 0.000 0.237 109 R C 2.270 178.537 176.300 -0.055 0.000 1.137 109 R CA 2.175 58.232 56.100 -0.072 0.000 0.951 109 R CB -0.812 29.454 30.300 -0.058 0.000 0.851 109 R HN 0.571 nan 8.270 nan 0.000 0.434 110 Y N 2.508 122.728 120.300 -0.133 0.000 2.114 110 Y HA -0.227 4.322 4.550 -0.001 0.000 0.282 110 Y C 1.970 177.817 175.900 -0.089 0.000 1.165 110 Y CA 1.471 59.502 58.100 -0.115 0.000 1.148 110 Y CB -0.389 38.010 38.460 -0.103 0.000 0.972 110 Y HN 0.073 nan 8.280 nan 0.000 0.504 111 N N -0.127 118.507 118.700 -0.110 0.000 2.381 111 N HA -0.144 4.596 4.740 -0.001 0.000 0.182 111 N C 1.467 176.872 175.510 -0.176 0.000 1.025 111 N CA 1.049 54.011 53.050 -0.147 0.000 0.888 111 N CB -0.215 38.241 38.487 -0.052 0.000 0.965 111 N HN 0.603 nan 8.380 nan 0.000 0.438 112 Q N 0.251 119.954 119.800 -0.161 0.000 2.424 112 Q HA -0.020 4.319 4.340 -0.001 0.000 0.204 112 Q C -0.528 175.379 176.000 -0.155 0.000 0.933 112 Q CA 0.170 55.894 55.803 -0.131 0.000 0.929 112 Q CB 0.412 29.088 28.738 -0.102 0.000 1.037 112 Q HN 0.141 nan 8.270 nan 0.000 0.511 113 D N -0.579 119.665 120.400 -0.259 0.000 2.988 113 D HA -0.137 4.502 4.640 -0.001 0.000 0.221 113 D C -0.960 175.220 176.300 -0.199 0.000 1.122 113 D CA 0.527 54.358 54.000 -0.283 0.000 0.821 113 D CB -1.273 39.410 40.800 -0.194 0.000 1.098 113 D HN 0.230 nan 8.370 nan 0.000 0.433 114 L N 1.577 122.696 121.223 -0.174 0.000 2.417 114 L HA 0.360 4.699 4.340 -0.001 0.000 0.258 114 L C 2.120 178.919 176.870 -0.117 0.000 1.088 114 L CA -0.530 54.231 54.840 -0.131 0.000 0.975 114 L CB 0.177 42.175 42.059 -0.101 0.000 1.341 114 L HN 0.131 nan 8.230 nan 0.000 0.431 115 I N -1.506 118.948 120.570 -0.194 0.000 2.353 115 I HA -0.084 4.085 4.170 -0.001 0.000 0.248 115 I C 0.351 176.252 176.117 -0.360 0.000 1.119 115 I CA 0.645 61.805 61.300 -0.233 0.000 1.417 115 I CB -0.276 37.480 38.000 -0.407 0.000 1.078 115 I HN 0.180 nan 8.210 nan 0.000 0.421 116 Y N 2.476 122.670 120.300 -0.176 0.000 2.359 116 Y HA 0.457 5.007 4.550 -0.001 0.000 0.334 116 Y C 0.036 175.802 175.900 -0.224 0.000 1.058 116 Y CA -0.263 57.696 58.100 -0.236 0.000 1.244 116 Y CB 0.993 39.252 38.460 -0.334 0.000 1.187 116 Y HN -0.013 nan 8.280 nan 0.000 0.510 117 T N 2.851 117.344 114.554 -0.102 0.000 3.105 117 T HA 0.266 4.615 4.350 -0.001 0.000 0.321 117 T C -1.371 173.234 174.700 -0.158 0.000 1.135 117 T CA -1.048 60.982 62.100 -0.116 0.000 1.053 117 T CB 0.396 69.240 68.868 -0.039 0.000 1.133 117 T HN 0.233 nan 8.240 nan 0.000 0.463 118 Y N 1.886 122.211 120.300 0.042 0.000 2.335 118 Y HA 0.386 4.935 4.550 -0.001 0.000 0.331 118 Y C 1.184 177.034 175.900 -0.083 0.000 1.094 118 Y CA -0.635 57.461 58.100 -0.006 0.000 1.253 118 Y CB 0.814 39.258 38.460 -0.027 0.000 1.203 118 Y HN 0.604 nan 8.280 nan 0.000 0.508 119 S N 2.023 117.681 115.700 -0.070 0.000 2.252 119 S HA 0.630 5.099 4.470 -0.001 0.000 0.180 119 S C 0.648 174.772 174.600 -0.793 0.000 1.534 119 S CA -0.371 57.649 58.200 -0.299 0.000 1.141 119 S CB 0.182 63.341 63.200 -0.069 0.000 1.122 119 S HN 1.287 nan 8.310 nan 0.000 0.475 120 G N 2.795 111.361 108.800 -0.390 0.000 2.498 120 G HA2 -0.291 3.668 3.960 -0.001 0.000 0.251 120 G HA3 -0.291 3.668 3.960 -0.001 0.000 0.251 120 G C 0.507 175.221 174.900 -0.311 0.000 1.170 120 G CA -0.139 44.744 45.100 -0.362 0.000 0.944 120 G HN 0.731 nan 8.290 nan 0.000 0.567 121 L N 0.546 121.623 121.223 -0.242 0.000 2.201 121 L HA 0.222 4.561 4.340 -0.001 0.000 0.212 121 L C 1.926 178.884 176.870 0.147 0.000 1.105 121 L CA 1.442 56.267 54.840 -0.024 0.000 0.775 121 L CB -1.051 41.042 42.059 0.057 0.000 0.913 121 L HN 0.434 nan 8.230 nan 0.000 0.440 122 F N -0.030 120.065 119.950 0.241 0.000 2.410 122 F HA 0.654 5.180 4.527 -0.001 0.000 0.324 122 F C -0.279 175.734 175.800 0.354 0.000 1.093 122 F CA -1.751 56.443 58.000 0.323 0.000 1.028 122 F CB 0.392 39.618 39.000 0.376 0.000 1.309 122 F HN -0.328 nan 8.300 nan 0.000 0.499 123 L N 1.561 123.116 121.223 0.553 0.000 2.329 123 L HA 0.704 5.043 4.340 -0.001 0.000 0.279 123 L C -1.100 175.925 176.870 0.258 0.000 1.014 123 L CA -0.731 54.256 54.840 0.244 0.000 0.814 123 L CB 1.676 43.796 42.059 0.102 0.000 1.257 123 L HN 0.567 nan 8.230 nan 0.000 0.424 124 V N 4.236 124.235 119.914 0.141 0.000 2.532 124 V HA 0.834 4.954 4.120 -0.001 0.000 0.295 124 V C 0.110 176.211 176.094 0.012 0.000 1.041 124 V CA -0.239 62.121 62.300 0.101 0.000 0.926 124 V CB 1.345 33.219 31.823 0.085 0.000 0.992 124 V HN 0.961 nan 8.190 nan 0.000 0.457 125 A N 4.480 127.277 122.820 -0.039 0.000 2.410 125 A HA 0.711 5.031 4.320 -0.001 0.000 0.289 125 A C -0.756 176.699 177.584 -0.216 0.000 1.200 125 A CA -0.460 51.466 52.037 -0.185 0.000 0.751 125 A CB 1.016 19.924 19.000 -0.154 0.000 1.161 125 A HN 0.617 nan 8.150 nan 0.000 0.459 126 V N 2.741 122.512 119.914 -0.239 0.000 2.555 126 V HA 0.108 4.227 4.120 -0.001 0.000 0.286 126 V C 0.761 176.700 176.094 -0.259 0.000 1.044 126 V CA -0.734 61.403 62.300 -0.272 0.000 1.026 126 V CB 0.914 32.515 31.823 -0.369 0.000 0.981 126 V HN 0.876 nan 8.190 nan 0.000 0.480 127 N N 7.073 125.584 118.700 -0.314 0.000 2.452 127 N HA 0.125 4.864 4.740 -0.001 0.000 0.266 127 N C -1.479 173.910 175.510 -0.202 0.000 1.209 127 N CA -1.665 51.145 53.050 -0.401 0.000 0.929 127 N CB 1.591 39.620 38.487 -0.763 0.000 1.063 127 N HN 0.283 nan 8.380 nan 0.000 0.472 128 P HA -0.015 nan 4.420 nan 0.000 0.213 128 P C -0.084 177.283 177.300 0.112 0.000 1.170 128 P CA 0.900 64.027 63.100 0.046 0.000 0.889 128 P CB 0.045 31.714 31.700 -0.052 0.000 0.782 129 F N -1.415 118.565 119.950 0.050 0.000 3.023 129 F HA -0.221 4.306 4.527 -0.001 0.000 0.297 129 F C 0.580 176.391 175.800 0.019 0.000 0.858 129 F CA 0.306 58.326 58.000 0.033 0.000 1.222 129 F CB -1.334 37.691 39.000 0.042 0.000 1.263 129 F HN 0.092 nan 8.300 nan 0.000 0.565 130 K N -0.259 120.219 120.400 0.131 0.000 2.675 130 K HA 0.684 5.003 4.320 -0.001 0.000 0.280 130 K C -0.403 176.211 176.600 0.023 0.000 0.993 130 K CA -0.209 56.118 56.287 0.067 0.000 0.863 130 K CB 1.254 33.777 32.500 0.039 0.000 1.438 130 K HN 0.182 nan 8.250 nan 0.000 0.389 131 R N 2.284 122.792 120.500 0.013 0.000 2.539 131 R HA 0.645 4.984 4.340 -0.001 0.000 0.275 131 R C 0.025 176.290 176.300 -0.059 0.000 1.077 131 R CA 0.284 56.386 56.100 0.002 0.000 1.097 131 R CB -0.235 30.070 30.300 0.008 0.000 1.018 131 R HN 0.535 nan 8.270 nan 0.000 0.483 132 I N 2.897 123.417 120.570 -0.084 0.000 2.627 132 I HA 0.274 4.443 4.170 -0.001 0.000 0.288 132 I C -2.179 173.756 176.117 -0.303 0.000 1.202 132 I CA -2.096 59.065 61.300 -0.231 0.000 1.050 132 I CB 3.191 41.050 38.000 -0.234 0.000 1.264 132 I HN 0.513 nan 8.210 nan 0.000 0.429 133 P HA 0.135 nan 4.420 nan 0.000 0.249 133 P C 0.648 177.796 177.300 -0.254 0.000 1.686 133 P CA 0.292 63.189 63.100 -0.337 0.000 0.873 133 P CB -0.643 30.798 31.700 -0.431 0.000 1.828 134 I N -5.030 115.301 120.570 -0.398 0.000 3.864 134 I HA 0.243 4.412 4.170 -0.001 0.000 0.326 134 I C -0.433 175.527 176.117 -0.263 0.000 1.444 134 I CA -0.357 60.742 61.300 -0.336 0.000 1.195 134 I CB -0.562 37.126 38.000 -0.521 0.000 1.124 134 I HN -0.134 nan 8.210 nan 0.000 0.407 135 Y N 0.125 120.582 120.300 0.262 0.000 2.624 135 Y HA 0.411 4.960 4.550 -0.001 0.000 0.302 135 Y C 0.317 176.449 175.900 0.387 0.000 0.939 135 Y CA -0.877 57.479 58.100 0.427 0.000 1.116 135 Y CB -0.123 38.495 38.460 0.263 0.000 1.173 135 Y HN -0.001 nan 8.280 nan 0.000 0.631 136 T N -1.246 113.564 114.554 0.427 0.000 2.936 136 T HA 0.101 4.450 4.350 -0.001 0.000 0.282 136 T C 1.129 175.959 174.700 0.217 0.000 1.003 136 T CA -0.605 61.662 62.100 0.278 0.000 1.005 136 T CB 1.730 70.716 68.868 0.198 0.000 1.097 136 T HN 0.070 nan 8.240 nan 0.000 0.532 137 Q N 0.576 120.457 119.800 0.134 0.000 2.062 137 Q HA -0.204 4.135 4.340 -0.001 0.000 0.209 137 Q C 2.138 178.185 176.000 0.079 0.000 0.996 137 Q CA 1.829 57.674 55.803 0.071 0.000 0.859 137 Q CB -0.443 28.326 28.738 0.053 0.000 0.920 137 Q HN 0.636 nan 8.270 nan 0.000 0.415 138 E N -0.307 119.957 120.200 0.107 0.000 2.038 138 E HA -0.191 4.158 4.350 -0.001 0.000 0.195 138 E C 1.946 178.643 176.600 0.162 0.000 1.000 138 E CA 1.638 58.105 56.400 0.112 0.000 0.803 138 E CB -0.425 29.339 29.700 0.107 0.000 0.750 138 E HN 0.430 nan 8.360 nan 0.000 0.448 139 M N -0.437 119.316 119.600 0.255 0.000 2.202 139 M HA -0.145 4.334 4.480 -0.001 0.000 0.262 139 M C 1.989 178.545 176.300 0.427 0.000 1.063 139 M CA 0.773 56.317 55.300 0.407 0.000 1.097 139 M CB -0.004 32.923 32.600 0.545 0.000 1.382 139 M HN -0.021 nan 8.290 nan 0.000 0.413 140 V N 0.242 120.243 119.914 0.146 0.000 2.229 140 V HA -0.301 3.818 4.120 -0.001 0.000 0.243 140 V C 1.768 177.939 176.094 0.128 0.000 1.042 140 V CA 2.170 64.380 62.300 -0.150 0.000 1.000 140 V CB -0.963 30.697 31.823 -0.273 0.000 0.637 140 V HN 0.387 nan 8.190 nan 0.000 0.446 141 D N 0.262 120.699 120.400 0.061 0.000 2.218 141 D HA -0.220 4.419 4.640 -0.001 0.000 0.194 141 D C 1.984 178.312 176.300 0.047 0.000 1.007 141 D CA 1.469 55.493 54.000 0.040 0.000 0.879 141 D CB -0.362 40.449 40.800 0.017 0.000 0.918 141 D HN 0.333 nan 8.370 nan 0.000 0.449 142 I N -0.255 120.350 120.570 0.058 0.000 2.163 142 I HA -0.260 3.909 4.170 -0.001 0.000 0.243 142 I C 2.118 178.127 176.117 -0.179 0.000 1.085 142 I CA 1.233 62.468 61.300 -0.108 0.000 1.347 142 I CB -0.872 37.038 38.000 -0.150 0.000 1.044 142 I HN -0.018 nan 8.210 nan 0.000 0.408 143 F N 0.875 120.856 119.950 0.052 0.000 2.558 143 F HA 0.052 4.578 4.527 -0.001 0.000 0.298 143 F C 1.514 177.411 175.800 0.162 0.000 1.119 143 F CA 0.370 58.418 58.000 0.080 0.000 1.451 143 F CB -0.210 38.777 39.000 -0.021 0.000 1.091 143 F HN -0.087 nan 8.300 nan 0.000 0.563 144 K N 0.554 121.126 120.400 0.286 0.000 2.412 144 K HA 0.229 4.548 4.320 -0.001 0.000 0.284 144 K C 1.155 177.803 176.600 0.080 0.000 1.046 144 K CA 0.921 57.313 56.287 0.175 0.000 0.999 144 K CB 0.101 32.621 32.500 0.035 0.000 0.941 144 K HN 0.406 nan 8.250 nan 0.000 0.474 145 G N 3.807 112.656 108.800 0.081 0.000 2.253 145 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.251 145 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.251 145 G C -0.155 174.762 174.900 0.027 0.000 0.998 145 G CA -0.081 45.033 45.100 0.023 0.000 0.621 145 G HN 0.620 nan 8.290 nan 0.000 0.524 146 R N 1.080 121.609 120.500 0.049 0.000 2.490 146 R HA 0.547 4.886 4.340 -0.001 0.000 0.280 146 R C 0.682 177.013 176.300 0.053 0.000 1.077 146 R CA -0.402 55.708 56.100 0.017 0.000 1.065 146 R CB 0.414 30.686 30.300 -0.046 0.000 1.003 146 R HN 0.490 nan 8.270 nan 0.000 0.470 147 R N 1.109 121.621 120.500 0.021 0.000 2.560 147 R HA 0.141 4.480 4.340 -0.001 0.000 0.270 147 R C 1.557 177.871 176.300 0.024 0.000 1.074 147 R CA -0.536 55.573 56.100 0.014 0.000 1.140 147 R CB 0.657 30.951 30.300 -0.010 0.000 1.073 147 R HN 0.642 nan 8.270 nan 0.000 0.527 148 R N 1.453 121.948 120.500 -0.008 0.000 2.096 148 R HA -0.128 4.211 4.340 -0.001 0.000 0.235 148 R C 0.680 176.938 176.300 -0.069 0.000 1.127 148 R CA 2.119 58.185 56.100 -0.055 0.000 0.968 148 R CB -0.188 29.982 30.300 -0.216 0.000 0.861 148 R HN 0.570 nan 8.270 nan 0.000 0.440 149 N N 0.381 119.042 118.700 -0.064 0.000 2.515 149 N HA -0.089 4.651 4.740 -0.001 0.000 0.185 149 N C 1.003 176.511 175.510 -0.002 0.000 1.109 149 N CA 0.895 53.920 53.050 -0.042 0.000 0.903 149 N CB 0.014 38.477 38.487 -0.040 0.000 0.969 149 N HN 0.493 nan 8.380 nan 0.000 0.450 150 E N 0.144 120.348 120.200 0.006 0.000 2.162 150 E HA 0.039 4.388 4.350 -0.001 0.000 0.193 150 E C 0.256 176.861 176.600 0.009 0.000 0.953 150 E CA 0.274 56.677 56.400 0.005 0.000 0.849 150 E CB 0.604 30.299 29.700 -0.008 0.000 0.810 150 E HN 0.204 nan 8.360 nan 0.000 0.470 151 V N -1.978 117.969 119.914 0.054 0.000 3.113 151 V HA 0.788 4.907 4.120 -0.001 0.000 0.316 151 V C -0.255 175.982 176.094 0.238 0.000 1.125 151 V CA -0.753 61.612 62.300 0.108 0.000 1.026 151 V CB 1.395 33.218 31.823 0.001 0.000 1.080 151 V HN 0.074 nan 8.190 nan 0.000 0.444 152 A N 2.588 125.585 122.820 0.295 0.000 2.386 152 A HA 0.694 5.013 4.320 -0.001 0.000 0.248 152 A C -2.304 175.495 177.584 0.358 0.000 1.082 152 A CA -1.294 50.884 52.037 0.234 0.000 0.789 152 A CB -0.678 18.326 19.000 0.006 0.000 1.025 152 A HN 0.863 nan 8.150 nan 0.000 0.490 153 P HA 0.135 nan 4.420 nan 0.000 0.262 153 P C -0.506 176.790 177.300 -0.007 0.000 1.182 153 P CA 0.911 64.033 63.100 0.036 0.000 0.761 153 P CB 0.243 31.794 31.700 -0.248 0.000 0.795 154 H N 2.298 121.169 119.070 -0.331 0.000 3.094 154 H HA 0.130 4.686 4.556 -0.001 0.000 0.346 154 H C 0.488 175.208 175.328 -1.014 0.000 1.238 154 H CA -0.642 54.892 56.048 -0.856 0.000 1.209 154 H CB 1.386 30.624 29.762 -0.874 0.000 1.911 154 H HN 0.163 nan 8.280 nan 0.000 0.540 155 I N 3.629 123.504 120.570 -1.159 0.000 2.151 155 I HA -0.223 3.946 4.170 -0.001 0.000 0.243 155 I C 1.863 177.809 176.117 -0.284 0.000 1.080 155 I CA 1.476 62.438 61.300 -0.565 0.000 1.339 155 I CB -0.762 36.977 38.000 -0.435 0.000 1.039 155 I HN 0.622 nan 8.210 nan 0.000 0.409 156 F N 0.612 120.265 119.950 -0.495 0.000 2.085 156 F HA -0.380 4.146 4.527 -0.001 0.000 0.299 156 F C 2.524 177.761 175.800 -0.938 0.000 1.096 156 F CA 0.936 58.204 58.000 -1.221 0.000 1.227 156 F CB -1.185 36.631 39.000 -1.974 0.000 0.983 156 F HN 0.232 nan 8.300 nan 0.000 0.482 157 A N 1.060 123.641 122.820 -0.399 0.000 1.849 157 A HA -0.299 4.021 4.320 -0.001 0.000 0.216 157 A C 2.114 179.721 177.584 0.037 0.000 1.225 157 A CA 2.120 54.173 52.037 0.028 0.000 0.653 157 A CB -1.348 17.790 19.000 0.231 0.000 0.844 157 A HN 0.424 nan 8.150 nan 0.000 0.453 158 I N -0.676 119.923 120.570 0.048 0.000 2.236 158 I HA -0.285 3.884 4.170 -0.001 0.000 0.249 158 I C 2.706 178.801 176.117 -0.035 0.000 1.102 158 I CA 1.685 63.002 61.300 0.029 0.000 1.365 158 I CB -0.112 37.946 38.000 0.097 0.000 1.051 158 I HN 0.387 nan 8.210 nan 0.000 0.420 159 S N 0.165 115.876 115.700 0.018 0.000 2.365 159 S HA -0.312 4.158 4.470 -0.001 0.000 0.221 159 S C 1.877 176.611 174.600 0.224 0.000 1.037 159 S CA 2.012 60.294 58.200 0.135 0.000 1.060 159 S CB -0.476 62.859 63.200 0.224 0.000 0.974 159 S HN 0.605 nan 8.310 nan 0.000 0.427 160 D N 0.567 121.167 120.400 0.333 0.000 2.133 160 D HA -0.125 4.514 4.640 -0.001 0.000 0.195 160 D C 1.985 178.412 176.300 0.211 0.000 0.997 160 D CA 1.421 55.694 54.000 0.455 0.000 0.840 160 D CB -0.128 41.009 40.800 0.561 0.000 0.947 160 D HN 0.258 nan 8.370 nan 0.000 0.452 161 V N 1.610 121.576 119.914 0.086 0.000 2.287 161 V HA -0.263 3.857 4.120 -0.001 0.000 0.248 161 V C 2.835 178.894 176.094 -0.058 0.000 1.053 161 V CA 1.996 64.288 62.300 -0.013 0.000 1.027 161 V CB -0.977 30.805 31.823 -0.069 0.000 0.646 161 V HN 0.318 nan 8.190 nan 0.000 0.447 162 A N -1.018 121.704 122.820 -0.164 0.000 1.933 162 A HA -0.265 4.054 4.320 -0.001 0.000 0.218 162 A C 2.206 179.878 177.584 0.146 0.000 1.175 162 A CA 2.062 54.051 52.037 -0.080 0.000 0.628 162 A CB -0.738 18.215 19.000 -0.079 0.000 0.814 162 A HN 0.614 nan 8.150 nan 0.000 0.444 163 Y N 0.706 120.983 120.300 -0.039 0.000 2.114 163 Y HA -0.185 4.365 4.550 -0.001 0.000 0.284 163 Y C 2.368 178.177 175.900 -0.152 0.000 1.143 163 Y CA 2.080 60.108 58.100 -0.121 0.000 1.135 163 Y CB -0.691 37.706 38.460 -0.103 0.000 0.980 163 Y HN 0.240 nan 8.280 nan 0.000 0.499 164 R N -0.125 120.293 120.500 -0.136 0.000 2.127 164 R HA -0.129 4.211 4.340 -0.001 0.000 0.238 164 R C 2.803 178.988 176.300 -0.192 0.000 1.134 164 R CA 1.429 57.363 56.100 -0.278 0.000 0.975 164 R CB -1.060 29.146 30.300 -0.156 0.000 0.865 164 R HN 0.263 nan 8.270 nan 0.000 0.447 165 S N -0.316 115.336 115.700 -0.080 0.000 2.387 165 S HA 0.006 4.475 4.470 -0.001 0.000 0.226 165 S C 1.672 176.223 174.600 -0.083 0.000 1.026 165 S CA 0.848 59.020 58.200 -0.047 0.000 0.972 165 S CB -0.100 63.126 63.200 0.043 0.000 0.814 165 S HN 0.292 nan 8.310 nan 0.000 0.477 166 M N 1.179 120.733 119.600 -0.078 0.000 2.084 166 M HA -0.143 4.336 4.480 -0.001 0.000 0.259 166 M C 1.834 177.956 176.300 -0.297 0.000 1.072 166 M CA 1.680 56.882 55.300 -0.163 0.000 1.107 166 M CB -0.597 31.942 32.600 -0.102 0.000 1.299 166 M HN 0.311 nan 8.290 nan 0.000 0.413 167 L N 0.267 121.305 121.223 -0.308 0.000 2.010 167 L HA -0.330 4.010 4.340 -0.001 0.000 0.219 167 L C 2.009 178.725 176.870 -0.255 0.000 1.077 167 L CA 1.921 56.564 54.840 -0.327 0.000 0.773 167 L CB -1.308 40.502 42.059 -0.415 0.000 0.892 167 L HN 0.382 nan 8.230 nan 0.000 0.436 168 D N -0.730 119.544 120.400 -0.211 0.000 2.224 168 D HA -0.144 4.495 4.640 -0.001 0.000 0.205 168 D C 1.678 177.901 176.300 -0.129 0.000 0.965 168 D CA 1.293 55.203 54.000 -0.149 0.000 0.852 168 D CB -0.270 40.460 40.800 -0.118 0.000 0.947 168 D HN 0.556 nan 8.370 nan 0.000 0.494 169 D N 0.097 120.411 120.400 -0.144 0.000 2.338 169 D HA -0.099 4.540 4.640 -0.001 0.000 0.208 169 D C 0.468 176.689 176.300 -0.133 0.000 0.997 169 D CA 0.164 54.096 54.000 -0.113 0.000 0.880 169 D CB 0.058 40.817 40.800 -0.068 0.000 0.980 169 D HN -0.103 nan 8.370 nan 0.000 0.509 170 R N -0.013 120.331 120.500 -0.260 0.000 3.758 170 R HA -0.184 4.155 4.340 -0.001 0.000 0.299 170 R C 0.004 176.199 176.300 -0.176 0.000 1.182 170 R CA 0.606 56.461 56.100 -0.408 0.000 0.809 170 R CB -2.786 27.429 30.300 -0.141 0.000 1.249 170 R HN 0.485 nan 8.270 nan 0.000 0.497 171 Q N 1.026 120.736 119.800 -0.150 0.000 2.248 171 Q HA 0.350 4.689 4.340 -0.001 0.000 0.263 171 Q C -0.433 175.524 176.000 -0.072 0.000 1.007 171 Q CA -0.626 55.149 55.803 -0.046 0.000 0.877 171 Q CB 1.425 30.138 28.738 -0.041 0.000 1.315 171 Q HN 0.239 nan 8.270 nan 0.000 0.454 172 N N 1.463 120.117 118.700 -0.076 0.000 2.529 172 N HA 0.100 4.840 4.740 -0.001 0.000 0.278 172 N C -0.754 174.639 175.510 -0.194 0.000 1.146 172 N CA -0.398 52.491 53.050 -0.269 0.000 0.980 172 N CB 0.793 38.966 38.487 -0.524 0.000 1.124 172 N HN 0.308 nan 8.380 nan 0.000 0.458 173 Q N 0.490 120.187 119.800 -0.172 0.000 2.297 173 Q HA 0.521 4.860 4.340 -0.001 0.000 0.269 173 Q C -0.876 175.225 176.000 0.169 0.000 1.051 173 Q CA -0.679 55.143 55.803 0.031 0.000 0.869 173 Q CB 1.982 30.843 28.738 0.205 0.000 1.346 173 Q HN 0.696 nan 8.270 nan 0.000 0.457 174 S N -0.127 115.634 115.700 0.102 0.000 2.548 174 S HA 0.661 5.130 4.470 -0.001 0.000 0.276 174 S C -0.797 173.910 174.600 0.177 0.000 1.129 174 S CA -0.851 57.481 58.200 0.220 0.000 0.931 174 S CB 0.746 64.112 63.200 0.275 0.000 1.068 174 S HN 0.410 nan 8.310 nan 0.000 0.480 175 L N 2.932 124.310 121.223 0.259 0.000 2.265 175 L HA 0.476 4.815 4.340 -0.001 0.000 0.289 175 L C -1.252 175.729 176.870 0.185 0.000 1.033 175 L CA -0.870 54.106 54.840 0.227 0.000 0.814 175 L CB 1.076 43.267 42.059 0.221 0.000 1.203 175 L HN 0.494 nan 8.230 nan 0.000 0.423 176 L N 5.754 127.047 121.223 0.116 0.000 2.301 176 L HA 0.413 4.753 4.340 -0.001 0.000 0.278 176 L C -0.030 177.000 176.870 0.266 0.000 1.022 176 L CA -0.359 54.605 54.840 0.206 0.000 0.854 176 L CB 1.071 43.295 42.059 0.274 0.000 1.226 176 L HN 0.379 nan 8.230 nan 0.000 0.429 177 I N 2.450 123.141 120.570 0.201 0.000 2.301 177 I HA 0.275 4.445 4.170 -0.001 0.000 0.292 177 I C 1.030 177.223 176.117 0.127 0.000 1.046 177 I CA -0.073 61.321 61.300 0.157 0.000 1.282 177 I CB 1.067 39.134 38.000 0.111 0.000 1.409 177 I HN 0.566 nan 8.210 nan 0.000 0.484 178 T N 2.650 117.268 114.554 0.106 0.000 2.893 178 T HA 0.893 5.243 4.350 -0.001 0.000 0.279 178 T C 0.112 174.813 174.700 0.001 0.000 0.991 178 T CA -0.319 61.809 62.100 0.048 0.000 0.950 178 T CB 2.216 71.086 68.868 0.004 0.000 1.223 178 T HN 1.048 nan 8.240 nan 0.000 0.585 179 G N 0.366 109.152 108.800 -0.022 0.000 2.307 179 G HA2 0.321 4.280 3.960 -0.001 0.000 0.348 179 G HA3 0.321 4.280 3.960 -0.001 0.000 0.348 179 G C -0.697 174.198 174.900 -0.008 0.000 1.603 179 G CA -0.264 44.814 45.100 -0.036 0.000 0.961 179 G HN 1.120 nan 8.290 nan 0.000 0.686 180 E N -0.002 120.190 120.200 -0.013 0.000 2.451 180 E HA 0.466 4.816 4.350 -0.001 0.000 0.256 180 E C 0.599 177.216 176.600 0.029 0.000 1.294 180 E CA 0.144 56.569 56.400 0.042 0.000 1.005 180 E CB 0.619 30.340 29.700 0.035 0.000 0.990 180 E HN 0.729 nan 8.360 nan 0.000 0.505 181 S N -0.342 115.375 115.700 0.030 0.000 2.488 181 S HA 0.398 4.868 4.470 -0.001 0.000 0.278 181 S C 0.792 175.418 174.600 0.043 0.000 1.259 181 S CA 0.468 58.679 58.200 0.018 0.000 1.061 181 S CB -0.447 62.745 63.200 -0.014 0.000 0.910 181 S HN 0.977 nan 8.310 nan 0.000 0.491 182 G N 3.484 112.317 108.800 0.054 0.000 2.176 182 G HA2 -0.237 3.722 3.960 -0.001 0.000 0.232 182 G HA3 -0.237 3.722 3.960 -0.001 0.000 0.232 182 G C 1.032 175.956 174.900 0.040 0.000 0.986 182 G CA 0.338 45.502 45.100 0.106 0.000 0.643 182 G HN 1.297 nan 8.290 nan 0.000 0.522 183 A N 0.018 122.831 122.820 -0.012 0.000 1.892 183 A HA 0.398 4.718 4.320 -0.001 0.000 0.218 183 A C 2.660 180.154 177.584 -0.151 0.000 1.188 183 A CA 2.938 54.925 52.037 -0.083 0.000 0.631 183 A CB -0.525 18.438 19.000 -0.061 0.000 0.822 183 A HN 2.555 nan 8.150 nan 0.000 0.447 184 G N -2.066 106.673 108.800 -0.101 0.000 2.192 184 G HA2 -0.089 3.870 3.960 -0.001 0.000 0.152 184 G HA3 -0.089 3.870 3.960 -0.001 0.000 0.152 184 G C 0.544 175.412 174.900 -0.052 0.000 1.057 184 G CA 0.493 45.528 45.100 -0.108 0.000 0.748 184 G HN 0.382 nan 8.290 nan 0.000 0.488 185 K N -0.387 119.996 120.400 -0.028 0.000 2.025 185 K HA -0.025 4.294 4.320 -0.001 0.000 0.207 185 K C 2.565 179.167 176.600 0.002 0.000 1.049 185 K CA 1.767 58.054 56.287 -0.000 0.000 0.933 185 K CB -0.128 32.375 32.500 0.005 0.000 0.714 185 K HN 0.299 nan 8.250 nan 0.000 0.438 186 T N 1.418 115.967 114.554 -0.009 0.000 2.668 186 T HA -0.115 4.235 4.350 -0.001 0.000 0.262 186 T C 1.649 176.342 174.700 -0.012 0.000 1.045 186 T CA 1.097 63.193 62.100 -0.006 0.000 1.152 186 T CB -0.128 68.736 68.868 -0.006 0.000 0.864 186 T HN 0.174 nan 8.240 nan 0.000 0.419 187 E N 1.236 121.420 120.200 -0.027 0.000 2.086 187 E HA -0.158 4.191 4.350 -0.001 0.000 0.200 187 E C 2.126 178.677 176.600 -0.082 0.000 1.012 187 E CA 1.411 57.776 56.400 -0.058 0.000 0.812 187 E CB -0.609 29.049 29.700 -0.070 0.000 0.743 187 E HN 0.508 nan 8.360 nan 0.000 0.453 188 N N -0.448 118.225 118.700 -0.045 0.000 2.058 188 N HA -0.119 4.620 4.740 -0.001 0.000 0.191 188 N C 1.865 177.371 175.510 -0.006 0.000 1.037 188 N CA 1.814 54.854 53.050 -0.017 0.000 0.848 188 N CB -0.172 38.343 38.487 0.047 0.000 1.021 188 N HN 0.028 nan 8.380 nan 0.000 0.422 189 T N 0.605 115.168 114.554 0.014 0.000 2.721 189 T HA -0.212 4.137 4.350 -0.001 0.000 0.268 189 T C 1.535 176.249 174.700 0.023 0.000 1.038 189 T CA 1.434 63.553 62.100 0.032 0.000 1.145 189 T CB -0.199 68.688 68.868 0.031 0.000 0.858 189 T HN 0.391 nan 8.240 nan 0.000 0.459 190 K N -0.406 119.994 120.400 -0.000 0.000 2.487 190 K HA 0.113 4.432 4.320 -0.001 0.000 0.192 190 K C 1.693 178.292 176.600 -0.001 0.000 1.027 190 K CA 0.696 56.984 56.287 0.002 0.000 1.054 190 K CB 0.230 32.731 32.500 0.002 0.000 0.824 190 K HN -0.003 nan 8.250 nan 0.000 0.510 191 K N -0.004 120.391 120.400 -0.008 0.000 2.350 191 K HA 0.165 4.484 4.320 -0.001 0.000 0.196 191 K C 1.606 178.304 176.600 0.163 0.000 1.084 191 K CA 0.182 56.484 56.287 0.026 0.000 0.967 191 K CB -0.064 32.327 32.500 -0.182 0.000 0.950 191 K HN -0.050 nan 8.250 nan 0.000 0.512 192 V N 2.537 122.521 119.914 0.116 0.000 2.219 192 V HA -0.247 3.872 4.120 -0.001 0.000 0.248 192 V C 2.183 178.371 176.094 0.157 0.000 1.053 192 V CA 2.128 64.522 62.300 0.157 0.000 1.009 192 V CB -0.437 31.455 31.823 0.115 0.000 0.636 192 V HN 0.423 nan 8.190 nan 0.000 0.445 193 I N -0.726 119.899 120.570 0.091 0.000 3.010 193 I HA -0.214 3.955 4.170 -0.001 0.000 0.271 193 I C 2.154 178.301 176.117 0.050 0.000 1.293 193 I CA 1.654 62.984 61.300 0.050 0.000 1.452 193 I CB -0.427 37.580 38.000 0.012 0.000 1.082 193 I HN 0.455 nan 8.210 nan 0.000 0.484 194 Q N 0.318 120.176 119.800 0.097 0.000 2.123 194 Q HA -0.198 4.141 4.340 -0.001 0.000 0.196 194 Q C 2.028 178.081 176.000 0.088 0.000 0.958 194 Q CA 1.456 57.316 55.803 0.095 0.000 0.841 194 Q CB -0.210 28.607 28.738 0.132 0.000 0.915 194 Q HN 0.726 nan 8.270 nan 0.000 0.455 195 Y N 0.447 120.737 120.300 -0.017 0.000 2.269 195 Y HA -0.146 4.404 4.550 -0.001 0.000 0.294 195 Y C 1.944 177.785 175.900 -0.099 0.000 1.120 195 Y CA 0.655 58.664 58.100 -0.152 0.000 1.159 195 Y CB -0.262 38.104 38.460 -0.155 0.000 1.024 195 Y HN 0.035 nan 8.280 nan 0.000 0.532 196 L N 0.887 122.113 121.223 0.005 0.000 1.997 196 L HA -0.304 4.035 4.340 -0.001 0.000 0.216 196 L C 2.730 179.507 176.870 -0.154 0.000 1.074 196 L CA 2.283 57.068 54.840 -0.092 0.000 0.763 196 L CB -1.518 40.572 42.059 0.052 0.000 0.890 196 L HN 0.392 nan 8.230 nan 0.000 0.434 197 A N -1.904 120.851 122.820 -0.107 0.000 1.859 197 A HA -0.312 4.007 4.320 -0.001 0.000 0.217 197 A C 2.540 180.028 177.584 -0.160 0.000 1.198 197 A CA 2.499 54.467 52.037 -0.116 0.000 0.629 197 A CB -1.259 17.692 19.000 -0.082 0.000 0.830 197 A HN 0.461 nan 8.150 nan 0.000 0.446 198 S N -0.715 114.867 115.700 -0.196 0.000 2.354 198 S HA -0.186 4.283 4.470 -0.001 0.000 0.219 198 S C 2.122 176.555 174.600 -0.279 0.000 1.035 198 S CA 2.589 60.656 58.200 -0.221 0.000 1.037 198 S CB -0.994 62.076 63.200 -0.216 0.000 0.956 198 S HN 1.225 nan 8.310 nan 0.000 0.428 199 V N 0.154 119.811 119.914 -0.430 0.000 2.546 199 V HA 0.142 4.261 4.120 -0.001 0.000 0.254 199 V C 1.179 177.162 176.094 -0.185 0.000 1.076 199 V CA 1.782 63.878 62.300 -0.340 0.000 1.087 199 V CB -1.113 30.451 31.823 -0.432 0.000 0.674 199 V HN 0.609 nan 8.190 nan 0.000 0.470 200 A N 0.120 122.813 122.820 -0.212 0.000 3.201 200 A HA 0.802 5.122 4.320 -0.001 0.000 0.312 200 A C 0.528 177.978 177.584 -0.223 0.000 1.011 200 A CA 0.187 52.126 52.037 -0.163 0.000 0.987 200 A CB -0.534 18.463 19.000 -0.005 0.000 1.060 200 A HN 0.798 nan 8.150 nan 0.000 0.505 211 L N 0.132 121.343 121.223 -0.019 0.000 1.997 211 L HA -0.230 4.109 4.340 -0.001 0.000 0.216 211 L C 2.441 179.291 176.870 -0.034 0.000 1.074 211 L CA 2.928 57.750 54.840 -0.030 0.000 0.763 211 L CB -0.278 41.762 42.059 -0.032 0.000 0.890 211 L HN 0.985 nan 8.230 nan 0.000 0.434 212 E N -0.320 119.860 120.200 -0.033 0.000 2.086 212 E HA -0.309 4.040 4.350 -0.001 0.000 0.200 212 E C 2.073 178.660 176.600 -0.021 0.000 1.012 212 E CA 1.581 57.960 56.400 -0.035 0.000 0.812 212 E CB -0.233 29.446 29.700 -0.036 0.000 0.743 212 E HN 0.404 nan 8.360 nan 0.000 0.453 213 Q N 0.352 120.144 119.800 -0.013 0.000 2.079 213 Q HA -0.143 4.196 4.340 -0.001 0.000 0.200 213 Q C 2.054 178.054 176.000 -0.000 0.000 0.974 213 Q CA 1.883 57.685 55.803 -0.003 0.000 0.840 213 Q CB -0.118 28.621 28.738 0.002 0.000 0.898 213 Q HN 0.549 nan 8.270 nan 0.000 0.430 214 Q N -0.646 119.150 119.800 -0.007 0.000 2.119 214 Q HA -0.121 4.219 4.340 -0.001 0.000 0.201 214 Q C 2.004 178.000 176.000 -0.007 0.000 0.972 214 Q CA 1.178 56.978 55.803 -0.005 0.000 0.847 214 Q CB -0.404 28.323 28.738 -0.017 0.000 0.903 214 Q HN 0.343 nan 8.270 nan 0.000 0.433 215 I N 1.174 121.731 120.570 -0.022 0.000 2.208 215 I HA -0.287 3.882 4.170 -0.001 0.000 0.245 215 I C 2.371 178.484 176.117 -0.006 0.000 1.097 215 I CA 1.304 62.588 61.300 -0.026 0.000 1.363 215 I CB -0.229 37.743 38.000 -0.046 0.000 1.051 215 I HN 0.261 nan 8.210 nan 0.000 0.413 216 L N -0.010 121.214 121.223 0.000 0.000 1.976 216 L HA -0.245 4.094 4.340 -0.001 0.000 0.209 216 L C 2.526 179.414 176.870 0.030 0.000 1.071 216 L CA 1.322 56.171 54.840 0.015 0.000 0.746 216 L CB -0.844 41.224 42.059 0.015 0.000 0.890 216 L HN 0.284 nan 8.230 nan 0.000 0.432 217 Q N 0.331 120.150 119.800 0.032 0.000 2.508 217 Q HA -0.150 4.189 4.340 -0.001 0.000 0.214 217 Q C 2.155 178.190 176.000 0.058 0.000 0.979 217 Q CA 0.956 56.787 55.803 0.047 0.000 0.911 217 Q CB -0.469 28.298 28.738 0.048 0.000 0.969 217 Q HN 0.556 nan 8.270 nan 0.000 0.504 218 A N 3.247 126.095 122.820 0.048 0.000 1.877 218 A HA -0.336 3.983 4.320 -0.001 0.000 0.218 218 A C 1.861 179.494 177.584 0.082 0.000 1.301 218 A CA 2.072 54.139 52.037 0.051 0.000 0.699 218 A CB -0.971 18.048 19.000 0.032 0.000 0.844 218 A HN 0.458 nan 8.150 nan 0.000 0.464 219 N N 0.429 119.183 118.700 0.091 0.000 2.049 219 N HA -0.175 4.564 4.740 -0.001 0.000 0.198 219 N C -0.826 174.775 175.510 0.153 0.000 1.030 219 N CA 2.156 55.283 53.050 0.129 0.000 0.870 219 N CB -2.029 36.523 38.487 0.109 0.000 1.045 219 N HN 0.399 nan 8.380 nan 0.000 0.434 220 P HA -0.088 nan 4.420 nan 0.000 0.223 220 P C 1.347 178.729 177.300 0.137 0.000 1.140 220 P CA 1.051 64.222 63.100 0.119 0.000 0.783 220 P CB -0.119 31.632 31.700 0.086 0.000 0.759 221 I N -2.183 118.481 120.570 0.158 0.000 3.039 221 I HA -0.036 4.133 4.170 -0.001 0.000 0.270 221 I C 1.671 177.988 176.117 0.333 0.000 1.150 221 I CA 0.347 61.771 61.300 0.206 0.000 1.448 221 I CB -0.270 37.792 38.000 0.104 0.000 1.197 221 I HN -0.192 nan 8.210 nan 0.000 0.450 222 L N 0.591 121.981 121.223 0.279 0.000 2.622 222 L HA -0.024 4.315 4.340 -0.001 0.000 0.233 222 L C 2.054 179.312 176.870 0.646 0.000 1.156 222 L CA 1.399 56.500 54.840 0.435 0.000 0.866 222 L CB -0.623 41.729 42.059 0.488 0.000 0.980 222 L HN 0.198 nan 8.230 nan 0.000 0.448 223 E N -0.961 119.492 120.200 0.422 0.000 2.175 223 E HA 0.083 4.433 4.350 -0.001 0.000 0.195 223 E C 2.278 179.057 176.600 0.299 0.000 0.934 223 E CA 0.653 57.269 56.400 0.360 0.000 0.870 223 E CB 0.038 29.887 29.700 0.249 0.000 0.838 223 E HN 0.362 nan 8.360 nan 0.000 0.474 224 A N 0.627 123.562 122.820 0.191 0.000 1.986 224 A HA -0.185 4.134 4.320 -0.001 0.000 0.220 224 A C 1.607 179.203 177.584 0.020 0.000 1.171 224 A CA 1.512 53.557 52.037 0.014 0.000 0.640 224 A CB -0.570 18.237 19.000 -0.321 0.000 0.811 224 A HN 0.240 nan 8.150 nan 0.000 0.451 225 F N -2.170 117.929 119.950 0.248 0.000 2.717 225 F HA 0.312 4.838 4.527 -0.001 0.000 0.297 225 F C 2.090 177.961 175.800 0.119 0.000 1.113 225 F CA 0.408 58.481 58.000 0.122 0.000 1.319 225 F CB 0.355 39.386 39.000 0.052 0.000 1.097 225 F HN 0.241 nan 8.300 nan 0.000 0.595 226 G N -0.772 108.437 108.800 0.681 0.000 3.377 226 G HA2 0.143 4.102 3.960 -0.001 0.000 0.257 226 G HA3 0.143 4.102 3.960 -0.001 0.000 0.257 226 G C -0.186 175.162 174.900 0.746 0.000 1.038 226 G CA -0.028 45.581 45.100 0.847 0.000 0.809 226 G HN -0.002 nan 8.290 nan 0.000 0.526 227 N N 0.364 119.358 118.700 0.490 0.000 2.335 227 N HA 0.821 5.561 4.740 -0.001 0.000 0.304 227 N C -0.545 174.744 175.510 -0.367 0.000 1.135 227 N CA -0.000 53.090 53.050 0.066 0.000 0.817 227 N CB 2.159 40.686 38.487 0.066 0.000 1.294 227 N HN 0.252 nan 8.380 nan 0.000 0.497 228 A N 0.400 122.987 122.820 -0.390 0.000 2.590 228 A HA 0.328 4.647 4.320 -0.001 0.000 0.294 228 A C -1.213 176.332 177.584 -0.064 0.000 1.046 228 A CA -0.838 50.962 52.037 -0.395 0.000 0.684 228 A CB 0.868 19.592 19.000 -0.459 0.000 1.279 228 A HN 0.545 nan 8.150 nan 0.000 0.415 229 K N 1.493 121.966 120.400 0.123 0.000 2.402 229 K HA 0.386 4.705 4.320 -0.001 0.000 0.285 229 K C 0.074 176.660 176.600 -0.023 0.000 1.054 229 K CA 1.058 57.386 56.287 0.068 0.000 1.001 229 K CB 0.084 32.605 32.500 0.035 0.000 0.946 229 K HN 0.978 nan 8.250 nan 0.000 0.473 230 T N 0.031 114.587 114.554 0.004 0.000 2.901 230 T HA 0.136 4.486 4.350 -0.001 0.000 0.293 230 T C 0.914 175.652 174.700 0.063 0.000 1.084 230 T CA -0.521 61.581 62.100 0.004 0.000 1.008 230 T CB 1.450 70.340 68.868 0.037 0.000 1.170 230 T HN 0.545 nan 8.240 nan 0.000 0.509 231 T N -0.394 114.219 114.554 0.098 0.000 3.427 231 T HA 0.143 4.493 4.350 -0.001 0.000 0.256 231 T C 1.066 175.843 174.700 0.127 0.000 1.172 231 T CA 0.142 62.303 62.100 0.101 0.000 1.018 231 T CB -0.524 68.417 68.868 0.122 0.000 0.981 231 T HN 0.703 nan 8.240 nan 0.000 0.555 232 R N -0.240 120.348 120.500 0.147 0.000 2.513 232 R HA 0.334 4.673 4.340 -0.001 0.000 0.245 232 R C 0.121 176.469 176.300 0.080 0.000 0.908 232 R CA -0.205 55.945 56.100 0.083 0.000 1.023 232 R CB 0.411 30.732 30.300 0.035 0.000 1.338 232 R HN 0.330 nan 8.270 nan 0.000 0.575 233 N N -0.121 118.632 118.700 0.088 0.000 2.935 233 N HA 0.100 4.840 4.740 -0.001 0.000 0.248 233 N C -1.208 174.350 175.510 0.080 0.000 1.276 233 N CA -0.394 52.713 53.050 0.095 0.000 0.906 233 N CB 1.273 39.825 38.487 0.109 0.000 1.564 233 N HN -0.102 nan 8.380 nan 0.000 0.500 234 N N 0.506 119.258 118.700 0.087 0.000 2.336 234 N HA 0.035 4.774 4.740 -0.001 0.000 0.189 234 N C -0.580 175.026 175.510 0.160 0.000 1.113 234 N CA 0.201 53.300 53.050 0.081 0.000 0.858 234 N CB 0.220 38.734 38.487 0.045 0.000 0.970 234 N HN 0.369 nan 8.380 nan 0.000 0.471 235 N N 0.281 119.074 118.700 0.154 0.000 2.700 235 N HA 0.041 4.780 4.740 -0.001 0.000 0.242 235 N C -1.804 173.763 175.510 0.095 0.000 1.541 235 N CA -0.073 53.095 53.050 0.196 0.000 0.764 235 N CB 0.627 39.226 38.487 0.188 0.000 1.319 235 N HN -0.226 nan 8.380 nan 0.000 0.518 236 S N 0.100 115.829 115.700 0.048 0.000 2.513 236 S HA 0.328 4.798 4.470 -0.001 0.000 0.276 236 S C -0.064 174.522 174.600 -0.024 0.000 1.254 236 S CA -0.396 57.811 58.200 0.012 0.000 1.053 236 S CB 0.271 63.482 63.200 0.018 0.000 0.958 236 S HN 0.380 nan 8.310 nan 0.000 0.491 237 S N 5.744 121.419 115.700 -0.043 0.000 3.072 237 S HA 0.221 4.690 4.470 -0.001 0.000 0.306 237 S C 0.718 175.249 174.600 -0.116 0.000 1.207 237 S CA -0.698 57.421 58.200 -0.135 0.000 1.008 237 S CB 0.075 63.152 63.200 -0.206 0.000 1.390 237 S HN 0.552 nan 8.310 nan 0.000 0.523 238 R N 2.087 122.590 120.500 0.006 0.000 2.391 238 R HA 0.172 4.511 4.340 -0.001 0.000 0.225 238 R C -0.378 176.072 176.300 0.250 0.000 1.079 238 R CA 0.075 56.235 56.100 0.100 0.000 1.147 238 R CB -1.154 29.186 30.300 0.067 0.000 1.103 238 R HN 0.754 nan 8.270 nan 0.000 0.499 239 F N -4.492 115.476 119.950 0.031 0.000 2.660 239 F HA 0.463 4.989 4.527 -0.001 0.000 0.320 239 F C -0.125 175.757 175.800 0.136 0.000 1.099 239 F CA -1.446 56.583 58.000 0.050 0.000 1.061 239 F CB 0.166 39.141 39.000 -0.042 0.000 1.300 239 F HN -0.076 nan 8.300 nan 0.000 0.479 240 G N 2.547 111.427 108.800 0.134 0.000 2.684 240 G HA2 0.518 4.478 3.960 -0.001 0.000 0.255 240 G HA3 0.518 4.478 3.960 -0.001 0.000 0.255 240 G C -1.145 173.895 174.900 0.234 0.000 1.219 240 G CA -0.233 44.879 45.100 0.021 0.000 0.901 240 G HN 1.161 nan 8.290 nan 0.000 0.548 241 K N -1.224 119.249 120.400 0.122 0.000 2.636 241 K HA 0.263 4.582 4.320 -0.001 0.000 0.268 241 K C -2.328 174.459 176.600 0.312 0.000 0.958 241 K CA -0.848 55.676 56.287 0.396 0.000 0.875 241 K CB 0.733 33.459 32.500 0.377 0.000 1.382 241 K HN 0.464 nan 8.250 nan 0.000 0.405 242 F N 3.596 123.708 119.950 0.270 0.000 2.520 242 F HA 0.600 5.126 4.527 -0.001 0.000 0.322 242 F C -0.855 175.021 175.800 0.127 0.000 1.103 242 F CA -1.074 57.025 58.000 0.166 0.000 0.926 242 F CB 1.203 40.329 39.000 0.211 0.000 1.154 242 F HN 0.384 nan 8.300 nan 0.000 0.453 243 I N 5.017 125.281 120.570 -0.509 0.000 2.418 243 I HA 0.269 4.438 4.170 -0.001 0.000 0.287 243 I C -0.774 174.974 176.117 -0.615 0.000 1.008 243 I CA -0.554 60.507 61.300 -0.398 0.000 1.104 243 I CB 1.752 39.646 38.000 -0.176 0.000 1.264 243 I HN 0.639 nan 8.210 nan 0.000 0.438 244 E N 6.096 126.026 120.200 -0.451 0.000 2.115 244 E HA 0.385 4.734 4.350 -0.001 0.000 0.282 244 E C -0.604 175.894 176.600 -0.171 0.000 0.987 244 E CA -0.650 55.540 56.400 -0.350 0.000 0.797 244 E CB 1.522 31.009 29.700 -0.356 0.000 1.086 244 E HN 0.360 nan 8.360 nan 0.000 0.397 245 I N 3.624 124.139 120.570 -0.091 0.000 2.337 245 I HA 0.077 4.246 4.170 -0.001 0.000 0.291 245 I C 0.081 176.014 176.117 -0.307 0.000 1.046 245 I CA -0.198 60.972 61.300 -0.216 0.000 1.324 245 I CB 0.721 38.573 38.000 -0.246 0.000 1.409 245 I HN 0.427 nan 8.210 nan 0.000 0.494 246 Q N 6.156 125.733 119.800 -0.373 0.000 2.441 246 Q HA 0.407 4.746 4.340 -0.001 0.000 0.234 246 Q C -0.939 174.826 176.000 -0.392 0.000 1.078 246 Q CA -0.127 55.530 55.803 -0.243 0.000 0.907 246 Q CB 0.609 29.303 28.738 -0.074 0.000 1.269 246 Q HN 0.421 nan 8.270 nan 0.000 0.502 247 F N 2.061 122.106 119.950 0.158 0.000 2.375 247 F HA 0.162 4.688 4.527 -0.001 0.000 0.333 247 F C 1.070 176.996 175.800 0.211 0.000 1.104 247 F CA -0.785 57.329 58.000 0.191 0.000 1.149 247 F CB 0.749 39.893 39.000 0.239 0.000 1.190 247 F HN 0.544 nan 8.300 nan 0.000 0.533 248 N N 1.162 120.117 118.700 0.425 0.000 2.431 248 N HA 0.064 4.803 4.740 -0.001 0.000 0.289 248 N C 0.580 176.300 175.510 0.349 0.000 1.277 248 N CA -0.522 52.697 53.050 0.281 0.000 0.972 248 N CB 0.049 38.641 38.487 0.175 0.000 1.143 248 N HN 0.515 nan 8.380 nan 0.000 0.578 249 N N -0.806 118.026 118.700 0.220 0.000 2.205 249 N HA -0.196 4.543 4.740 -0.001 0.000 0.186 249 N C 1.227 176.878 175.510 0.235 0.000 1.015 249 N CA 1.509 54.708 53.050 0.248 0.000 0.862 249 N CB -0.798 37.755 38.487 0.109 0.000 0.986 249 N HN 0.647 nan 8.380 nan 0.000 0.429 250 A N 0.478 123.399 122.820 0.167 0.000 1.838 250 A HA 0.411 4.731 4.320 -0.001 0.000 0.215 250 A C 1.768 179.478 177.584 0.211 0.000 1.273 250 A CA 1.898 54.012 52.037 0.128 0.000 0.602 250 A CB -0.732 18.266 19.000 -0.003 0.000 0.934 250 A HN 0.499 nan 8.150 nan 0.000 0.461 251 G N -2.705 106.319 108.800 0.373 0.000 4.569 251 G HA2 0.226 4.185 3.960 -0.001 0.000 0.221 251 G HA3 0.226 4.185 3.960 -0.001 0.000 0.221 251 G C -0.159 175.125 174.900 0.639 0.000 0.778 251 G CA -0.577 44.766 45.100 0.404 0.000 1.115 251 G HN 0.224 nan 8.290 nan 0.000 0.774 252 F N 0.809 120.954 119.950 0.326 0.000 2.403 252 F HA 0.568 5.094 4.527 -0.001 0.000 0.326 252 F C 0.826 176.818 175.800 0.320 0.000 1.081 252 F CA -1.351 56.821 58.000 0.287 0.000 1.041 252 F CB 1.285 40.375 39.000 0.149 0.000 1.234 252 F HN -0.177 nan 8.300 nan 0.000 0.503 253 I N 2.397 123.148 120.570 0.302 0.000 2.347 253 I HA -0.031 4.138 4.170 -0.001 0.000 0.294 253 I C 1.255 177.391 176.117 0.032 0.000 1.090 253 I CA 0.389 61.697 61.300 0.014 0.000 1.314 253 I CB 0.727 38.645 38.000 -0.138 0.000 1.423 253 I HN 0.678 nan 8.210 nan 0.000 0.503 254 S N 4.764 120.462 115.700 -0.005 0.000 2.436 254 S HA 0.191 4.661 4.470 -0.001 0.000 0.228 254 S C 0.905 175.474 174.600 -0.052 0.000 1.014 254 S CA 0.475 58.676 58.200 0.000 0.000 0.950 254 S CB 0.338 63.548 63.200 0.017 0.000 0.784 254 S HN 0.890 nan 8.310 nan 0.000 0.504 255 G N -0.133 108.597 108.800 -0.117 0.000 2.340 255 G HA2 0.509 4.468 3.960 -0.001 0.000 0.282 255 G HA3 0.509 4.468 3.960 -0.001 0.000 0.282 255 G C -1.084 173.725 174.900 -0.152 0.000 1.312 255 G CA -0.354 44.676 45.100 -0.116 0.000 0.942 255 G HN 1.250 nan 8.290 nan 0.000 0.495 256 A N -1.235 121.511 122.820 -0.123 0.000 2.602 256 A HA 1.065 5.384 4.320 -0.001 0.000 0.290 256 A C -0.185 177.336 177.584 -0.106 0.000 1.114 256 A CA 0.554 52.514 52.037 -0.128 0.000 0.683 256 A CB 1.417 20.334 19.000 -0.139 0.000 1.281 256 A HN 2.474 nan 8.150 nan 0.000 0.416 257 S N -0.081 115.551 115.700 -0.113 0.000 2.547 257 S HA 0.811 5.280 4.470 -0.001 0.000 0.281 257 S C -0.888 173.659 174.600 -0.088 0.000 1.118 257 S CA -0.493 57.649 58.200 -0.096 0.000 0.947 257 S CB 0.764 63.910 63.200 -0.089 0.000 1.053 257 S HN 0.729 nan 8.310 nan 0.000 0.482 258 I N 1.858 122.397 120.570 -0.052 0.000 2.693 258 I HA 0.642 4.811 4.170 -0.001 0.000 0.303 258 I C -0.571 175.573 176.117 0.046 0.000 1.025 258 I CA -0.755 60.546 61.300 0.002 0.000 1.086 258 I CB 2.186 40.207 38.000 0.035 0.000 1.268 258 I HN 0.796 nan 8.210 nan 0.000 0.440 259 Q N 3.859 123.752 119.800 0.156 0.000 2.589 259 Q HA 0.374 4.713 4.340 -0.001 0.000 0.245 259 Q C -0.784 175.393 176.000 0.295 0.000 0.931 259 Q CA -0.499 55.391 55.803 0.145 0.000 0.730 259 Q CB 1.608 30.432 28.738 0.144 0.000 1.315 259 Q HN 0.741 nan 8.270 nan 0.000 0.469 260 S N 3.268 119.118 115.700 0.250 0.000 2.608 260 S HA 0.551 5.020 4.470 -0.001 0.000 0.261 260 S C -0.558 174.228 174.600 0.312 0.000 1.314 260 S CA 0.108 58.626 58.200 0.530 0.000 0.992 260 S CB 0.459 63.933 63.200 0.457 0.000 0.935 260 S HN 0.615 nan 8.310 nan 0.000 0.564 261 Y N -0.730 119.835 120.300 0.443 0.000 3.159 261 Y HA 0.437 4.986 4.550 -0.001 0.000 0.299 261 Y C -0.488 175.553 175.900 0.235 0.000 1.666 261 Y CA -1.589 56.695 58.100 0.308 0.000 1.049 261 Y CB 0.277 38.911 38.460 0.290 0.000 1.413 261 Y HN 0.534 nan 8.280 nan 0.000 0.576 262 L N 2.341 123.733 121.223 0.281 0.000 2.742 262 L HA 0.102 4.441 4.340 -0.001 0.000 0.275 262 L C -0.481 176.449 176.870 0.099 0.000 1.141 262 L CA 0.641 55.518 54.840 0.061 0.000 0.987 262 L CB -1.481 40.439 42.059 -0.232 0.000 1.319 262 L HN 0.272 nan 8.230 nan 0.000 0.478 263 L N 3.401 124.681 121.223 0.096 0.000 2.268 263 L HA 0.278 4.617 4.340 -0.001 0.000 0.289 263 L C 0.764 177.679 176.870 0.076 0.000 1.064 263 L CA -0.126 54.756 54.840 0.069 0.000 0.824 263 L CB 0.617 42.539 42.059 -0.228 0.000 1.202 263 L HN 0.759 nan 8.230 nan 0.000 0.433 264 E N 4.936 125.193 120.200 0.094 0.000 2.311 264 E HA -0.071 4.278 4.350 -0.001 0.000 0.247 264 E C 0.012 176.690 176.600 0.130 0.000 1.215 264 E CA 0.219 56.664 56.400 0.075 0.000 0.957 264 E CB 0.481 30.203 29.700 0.037 0.000 1.020 264 E HN 0.721 nan 8.360 nan 0.000 0.461 265 K N 2.506 122.978 120.400 0.119 0.000 2.361 265 K HA -0.002 4.318 4.320 -0.001 0.000 0.196 265 K C 1.737 178.379 176.600 0.071 0.000 1.039 265 K CA 0.503 56.871 56.287 0.134 0.000 1.001 265 K CB 0.287 32.867 32.500 0.132 0.000 0.795 265 K HN 0.332 nan 8.250 nan 0.000 0.495 266 S N 2.483 118.229 115.700 0.078 0.000 2.372 266 S HA -0.222 4.247 4.470 -0.001 0.000 0.227 266 S C 1.953 176.596 174.600 0.071 0.000 1.044 266 S CA 1.403 59.662 58.200 0.098 0.000 1.050 266 S CB -0.367 62.931 63.200 0.164 0.000 0.901 266 S HN 0.311 nan 8.310 nan 0.000 0.447 267 R N 0.630 121.132 120.500 0.004 0.000 2.153 267 R HA -0.137 4.203 4.340 -0.001 0.000 0.252 267 R C 2.102 178.290 176.300 -0.187 0.000 1.158 267 R CA 1.632 57.651 56.100 -0.135 0.000 0.975 267 R CB -0.803 29.343 30.300 -0.258 0.000 0.871 267 R HN 0.371 nan 8.270 nan 0.000 0.450 268 V N 0.054 119.872 119.914 -0.159 0.000 2.568 268 V HA -0.186 3.933 4.120 -0.001 0.000 0.253 268 V C 1.825 177.446 176.094 -0.787 0.000 1.072 268 V CA 1.820 63.907 62.300 -0.354 0.000 1.084 268 V CB -0.253 31.378 31.823 -0.319 0.000 0.676 268 V HN 0.315 nan 8.190 nan 0.000 0.469 269 V N -3.823 115.748 119.914 -0.572 0.000 3.528 269 V HA 0.518 4.637 4.120 -0.001 0.000 0.294 269 V C 0.013 176.043 176.094 -0.106 0.000 1.404 269 V CA -0.270 61.594 62.300 -0.728 0.000 1.065 269 V CB -0.313 31.278 31.823 -0.387 0.000 0.904 269 V HN 0.401 nan 8.190 nan 0.000 0.435 270 F N 1.264 121.075 119.950 -0.232 0.000 2.714 270 F HA 0.606 5.132 4.527 -0.001 0.000 0.313 270 F C -2.267 173.466 175.800 -0.111 0.000 1.104 270 F CA -0.738 57.200 58.000 -0.104 0.000 1.005 270 F CB 1.117 40.083 39.000 -0.057 0.000 1.268 270 F HN 0.148 nan 8.300 nan 0.000 0.449 271 Q N 3.887 122.991 119.800 -1.161 0.000 2.391 271 Q HA 0.498 4.838 4.340 -0.001 0.000 0.279 271 Q C -1.458 174.010 176.000 -0.887 0.000 1.028 271 Q CA -0.791 54.339 55.803 -1.122 0.000 0.836 271 Q CB 1.748 30.182 28.738 -0.507 0.000 1.414 271 Q HN 0.709 nan 8.270 nan 0.000 0.397 272 S N 0.944 116.218 115.700 -0.710 0.000 2.650 272 S HA -0.022 4.447 4.470 -0.001 0.000 0.251 272 S C 1.235 175.718 174.600 -0.195 0.000 1.325 272 S CA -0.149 57.849 58.200 -0.335 0.000 0.967 272 S CB 0.268 63.303 63.200 -0.275 0.000 1.000 272 S HN 0.649 nan 8.310 nan 0.000 0.584 273 E N 0.627 120.764 120.200 -0.105 0.000 2.063 273 E HA -0.208 4.142 4.350 -0.001 0.000 0.221 273 E C 1.090 177.648 176.600 -0.070 0.000 1.052 273 E CA 1.610 57.974 56.400 -0.061 0.000 0.891 273 E CB -0.461 29.217 29.700 -0.037 0.000 0.792 273 E HN 0.567 nan 8.360 nan 0.000 0.482 274 T N 1.003 115.511 114.554 -0.076 0.000 3.390 274 T HA 0.321 4.670 4.350 -0.001 0.000 0.315 274 T C -0.700 173.946 174.700 -0.089 0.000 1.799 274 T CA -0.234 61.823 62.100 -0.071 0.000 1.553 274 T CB -0.039 68.797 68.868 -0.053 0.000 1.002 274 T HN 0.000 nan 8.240 nan 0.000 0.715 275 E N 1.183 121.316 120.200 -0.111 0.000 2.440 275 E HA 0.699 5.048 4.350 -0.001 0.000 0.263 275 E C -0.520 176.029 176.600 -0.085 0.000 0.938 275 E CA -1.050 55.277 56.400 -0.121 0.000 0.831 275 E CB 1.727 31.312 29.700 -0.193 0.000 1.456 275 E HN 0.283 nan 8.360 nan 0.000 0.427 276 R N 0.131 120.601 120.500 -0.051 0.000 2.836 276 R HA 0.339 4.678 4.340 -0.001 0.000 0.269 276 R C 0.489 176.902 176.300 0.187 0.000 1.010 276 R CA -0.555 55.620 56.100 0.125 0.000 0.930 276 R CB 1.322 31.537 30.300 -0.141 0.000 1.218 276 R HN 0.557 nan 8.270 nan 0.000 0.473 277 N N -0.162 118.775 118.700 0.395 0.000 2.093 277 N HA -0.066 4.673 4.740 -0.001 0.000 0.191 277 N C -0.632 174.949 175.510 0.119 0.000 1.062 277 N CA 1.200 54.309 53.050 0.097 0.000 0.854 277 N CB 0.246 38.643 38.487 -0.151 0.000 1.043 277 N HN 0.284 nan 8.380 nan 0.000 0.438 278 Y N -0.934 119.702 120.300 0.561 0.000 2.480 278 Y HA 0.211 4.760 4.550 -0.001 0.000 0.329 278 Y C 0.147 176.378 175.900 0.551 0.000 1.127 278 Y CA -0.885 57.461 58.100 0.411 0.000 1.037 278 Y CB 1.187 39.804 38.460 0.262 0.000 1.320 278 Y HN 0.151 nan 8.280 nan 0.000 0.446 279 H N 2.438 121.802 119.070 0.491 0.000 2.319 279 H HA -0.184 4.371 4.556 -0.001 0.000 0.297 279 H C 1.940 177.390 175.328 0.203 0.000 1.097 279 H CA 2.634 58.904 56.048 0.371 0.000 1.285 279 H CB -0.414 29.472 29.762 0.206 0.000 1.368 279 H HN 0.745 nan 8.280 nan 0.000 0.495 280 I N -1.094 119.537 120.570 0.102 0.000 2.185 280 I HA -0.261 3.908 4.170 -0.001 0.000 0.246 280 I C 2.110 178.140 176.117 -0.144 0.000 1.088 280 I CA 1.503 62.690 61.300 -0.189 0.000 1.347 280 I CB -1.224 36.429 38.000 -0.579 0.000 1.041 280 I HN -0.087 nan 8.210 nan 0.000 0.415 281 F N 0.613 120.557 119.950 -0.010 0.000 2.065 281 F HA -0.242 4.284 4.527 -0.001 0.000 0.298 281 F C 2.515 178.144 175.800 -0.284 0.000 1.112 281 F CA 1.882 59.760 58.000 -0.204 0.000 1.212 281 F CB -1.381 37.386 39.000 -0.389 0.000 0.975 281 F HN 0.019 nan 8.300 nan 0.000 0.476 282 Y N 0.055 120.483 120.300 0.214 0.000 2.145 282 Y HA -0.241 4.308 4.550 -0.001 0.000 0.286 282 Y C 2.554 178.420 175.900 -0.058 0.000 1.145 282 Y CA 1.489 59.636 58.100 0.078 0.000 1.148 282 Y CB -1.256 37.254 38.460 0.084 0.000 0.981 282 Y HN 0.138 nan 8.280 nan 0.000 0.507 283 Q N -0.446 119.377 119.800 0.038 0.000 2.045 283 Q HA -0.236 4.103 4.340 -0.001 0.000 0.206 283 Q C 2.290 177.895 176.000 -0.657 0.000 0.991 283 Q CA 1.820 57.520 55.803 -0.170 0.000 0.851 283 Q CB -0.667 28.038 28.738 -0.055 0.000 0.911 283 Q HN 0.400 nan 8.270 nan 0.000 0.418 284 L N 0.911 121.669 121.223 -0.775 0.000 1.971 284 L HA -0.235 4.104 4.340 -0.001 0.000 0.215 284 L C 2.069 178.514 176.870 -0.709 0.000 1.072 284 L CA 1.765 55.928 54.840 -1.128 0.000 0.758 284 L CB -0.693 41.048 42.059 -0.529 0.000 0.889 284 L HN 0.213 nan 8.230 nan 0.000 0.433 285 L N -0.951 120.081 121.223 -0.318 0.000 1.955 285 L HA -0.255 4.085 4.340 -0.001 0.000 0.213 285 L C 2.701 179.493 176.870 -0.130 0.000 1.072 285 L CA 1.492 56.251 54.840 -0.135 0.000 0.755 285 L CB -1.237 40.827 42.059 0.008 0.000 0.888 285 L HN 0.428 nan 8.230 nan 0.000 0.432 286 A N 0.405 123.163 122.820 -0.103 0.000 1.870 286 A HA -0.255 4.064 4.320 -0.001 0.000 0.219 286 A C 2.072 179.620 177.584 -0.060 0.000 1.224 286 A CA 2.411 54.413 52.037 -0.058 0.000 0.650 286 A CB -1.462 17.522 19.000 -0.027 0.000 0.836 286 A HN 0.522 nan 8.150 nan 0.000 0.454 287 G N -1.513 107.218 108.800 -0.115 0.000 3.371 287 G HA2 0.473 4.433 3.960 -0.001 0.000 0.248 287 G HA3 0.473 4.433 3.960 -0.001 0.000 0.248 287 G C 0.329 175.364 174.900 0.224 0.000 1.161 287 G CA 0.625 45.802 45.100 0.127 0.000 0.796 287 G HN 0.846 nan 8.290 nan 0.000 0.539 288 A N 1.173 123.968 122.820 -0.043 0.000 2.363 288 A HA 0.584 4.903 4.320 -0.001 0.000 0.270 288 A C 0.982 178.628 177.584 0.103 0.000 1.121 288 A CA 0.019 52.118 52.037 0.103 0.000 0.800 288 A CB 0.081 19.042 19.000 -0.065 0.000 1.052 288 A HN 0.541 nan 8.150 nan 0.000 0.493 289 T N 0.246 114.878 114.554 0.129 0.000 2.932 289 T HA 0.337 4.686 4.350 -0.001 0.000 0.312 289 T C 1.365 176.099 174.700 0.056 0.000 1.071 289 T CA 0.045 62.192 62.100 0.078 0.000 1.128 289 T CB 0.857 69.765 68.868 0.067 0.000 0.984 289 T HN 1.338 nan 8.240 nan 0.000 0.549 290 A N 2.316 125.162 122.820 0.042 0.000 2.042 290 A HA -0.154 4.165 4.320 -0.001 0.000 0.222 290 A C 2.097 179.701 177.584 0.033 0.000 1.167 290 A CA 2.039 54.096 52.037 0.034 0.000 0.649 290 A CB -0.879 18.138 19.000 0.028 0.000 0.809 290 A HN 0.979 nan 8.150 nan 0.000 0.457 291 E N 0.506 120.727 120.200 0.036 0.000 2.006 291 E HA -0.190 4.160 4.350 -0.001 0.000 0.192 291 E C 2.058 178.675 176.600 0.029 0.000 0.993 291 E CA 1.440 57.859 56.400 0.031 0.000 0.808 291 E CB -0.394 29.326 29.700 0.033 0.000 0.764 291 E HN 0.843 nan 8.360 nan 0.000 0.449 292 E N 1.768 121.995 120.200 0.046 0.000 2.021 292 E HA -0.295 4.054 4.350 -0.001 0.000 0.200 292 E C 2.059 178.676 176.600 0.029 0.000 1.015 292 E CA 1.228 57.659 56.400 0.053 0.000 0.824 292 E CB -0.454 29.307 29.700 0.102 0.000 0.762 292 E HN 0.084 nan 8.360 nan 0.000 0.454 293 K N 0.787 121.208 120.400 0.035 0.000 2.189 293 K HA -0.209 4.111 4.320 -0.001 0.000 0.207 293 K C 2.305 178.922 176.600 0.029 0.000 1.046 293 K CA 1.519 57.825 56.287 0.031 0.000 0.928 293 K CB -0.097 32.421 32.500 0.030 0.000 0.720 293 K HN 0.068 nan 8.250 nan 0.000 0.458 294 K N 0.612 121.021 120.400 0.015 0.000 2.005 294 K HA -0.059 4.261 4.320 -0.001 0.000 0.206 294 K C 1.880 178.430 176.600 -0.084 0.000 1.044 294 K CA 1.371 57.662 56.287 0.006 0.000 0.942 294 K CB -0.193 32.318 32.500 0.017 0.000 0.727 294 K HN 0.069 nan 8.250 nan 0.000 0.439 295 A N 0.917 123.682 122.820 -0.091 0.000 2.178 295 A HA -0.070 4.249 4.320 -0.001 0.000 0.218 295 A C 1.595 178.988 177.584 -0.319 0.000 1.157 295 A CA 0.977 52.910 52.037 -0.174 0.000 0.689 295 A CB -0.125 18.838 19.000 -0.062 0.000 0.787 295 A HN 0.300 nan 8.150 nan 0.000 0.465 296 L N -1.639 119.457 121.223 -0.212 0.000 2.693 296 L HA 0.219 4.558 4.340 -0.001 0.000 0.235 296 L C 0.237 177.127 176.870 0.033 0.000 1.127 296 L CA 0.243 55.015 54.840 -0.113 0.000 0.914 296 L CB -1.325 40.751 42.059 0.028 0.000 1.193 296 L HN 0.644 nan 8.230 nan 0.000 0.502 297 H N -2.200 116.970 119.070 0.166 0.000 2.731 297 H HA -0.214 4.341 4.556 -0.001 0.000 0.305 297 H C 0.219 175.736 175.328 0.315 0.000 1.132 297 H CA -0.118 56.058 56.048 0.214 0.000 1.148 297 H CB -1.387 28.500 29.762 0.207 0.000 1.379 297 H HN 0.027 nan 8.280 nan 0.000 0.398 298 L N 0.119 121.510 121.223 0.281 0.000 2.375 298 L HA 0.711 5.051 4.340 -0.001 0.000 0.271 298 L C 0.775 177.772 176.870 0.213 0.000 1.107 298 L CA 0.504 55.526 54.840 0.302 0.000 0.806 298 L CB 1.223 43.371 42.059 0.148 0.000 1.146 298 L HN 0.417 nan 8.230 nan 0.000 0.447 299 A N 1.469 124.400 122.820 0.184 0.000 2.504 299 A HA 0.795 5.114 4.320 -0.001 0.000 0.285 299 A C 0.053 177.615 177.584 -0.036 0.000 1.261 299 A CA -0.213 51.807 52.037 -0.027 0.000 0.741 299 A CB 0.142 19.030 19.000 -0.188 0.000 1.327 299 A HN 0.822 nan 8.150 nan 0.000 0.441 300 G N -0.442 108.313 108.800 -0.076 0.000 2.905 300 G HA2 0.288 4.247 3.960 -0.001 0.000 0.233 300 G HA3 0.288 4.247 3.960 -0.001 0.000 0.233 300 G C -1.459 173.400 174.900 -0.069 0.000 1.243 300 G CA 0.165 45.233 45.100 -0.053 0.000 0.856 300 G HN 0.422 nan 8.290 nan 0.000 0.594 301 P HA -0.030 nan 4.420 nan 0.000 0.226 301 P C 1.410 178.715 177.300 0.008 0.000 1.153 301 P CA 0.918 64.082 63.100 0.106 0.000 0.777 301 P CB 0.245 32.055 31.700 0.183 0.000 0.794 302 E N 0.278 120.436 120.200 -0.071 0.000 2.150 302 E HA -0.090 4.259 4.350 -0.001 0.000 0.193 302 E C 1.894 178.374 176.600 -0.201 0.000 0.985 302 E CA 1.174 57.517 56.400 -0.095 0.000 0.814 302 E CB -1.023 28.627 29.700 -0.083 0.000 0.752 302 E HN 0.351 nan 8.360 nan 0.000 0.466 303 S N 0.991 116.455 115.700 -0.393 0.000 2.383 303 S HA -0.130 4.339 4.470 -0.001 0.000 0.229 303 S C 0.905 175.130 174.600 -0.624 0.000 1.030 303 S CA 0.907 58.730 58.200 -0.629 0.000 1.002 303 S CB -0.525 62.033 63.200 -1.069 0.000 0.829 303 S HN 0.132 nan 8.310 nan 0.000 0.467 304 F N 2.179 122.059 119.950 -0.117 0.000 2.404 304 F HA 0.416 4.942 4.527 -0.001 0.000 0.339 304 F C 1.376 177.089 175.800 -0.146 0.000 1.105 304 F CA -1.163 56.734 58.000 -0.172 0.000 1.087 304 F CB 0.640 39.510 39.000 -0.217 0.000 1.143 304 F HN -0.070 nan 8.300 nan 0.000 0.491 305 N N 1.286 119.989 118.700 0.004 0.000 2.188 305 N HA -0.175 4.564 4.740 -0.001 0.000 0.184 305 N C 1.140 176.703 175.510 0.088 0.000 1.018 305 N CA 0.824 53.867 53.050 -0.010 0.000 0.858 305 N CB -0.115 38.328 38.487 -0.075 0.000 0.989 305 N HN 0.644 nan 8.380 nan 0.000 0.426 306 Y N 0.621 120.886 120.300 -0.058 0.000 2.616 306 Y HA 0.016 4.565 4.550 -0.001 0.000 0.296 306 Y C 1.582 177.353 175.900 -0.214 0.000 1.154 306 Y CA -0.029 57.964 58.100 -0.179 0.000 1.325 306 Y CB 0.161 38.404 38.460 -0.362 0.000 1.007 306 Y HN 0.111 nan 8.280 nan 0.000 0.542 307 L N -1.175 120.071 121.223 0.038 0.000 2.586 307 L HA 0.026 4.365 4.340 -0.001 0.000 0.204 307 L C 0.804 177.733 176.870 0.099 0.000 1.053 307 L CA 0.120 54.987 54.840 0.046 0.000 0.856 307 L CB -0.370 41.716 42.059 0.044 0.000 1.192 307 L HN 0.078 nan 8.230 nan 0.000 0.484 308 N N 0.652 119.394 118.700 0.069 0.000 2.652 308 N HA 0.065 4.804 4.740 -0.001 0.000 0.259 308 N C 0.497 176.026 175.510 0.032 0.000 1.240 308 N CA 0.583 53.658 53.050 0.043 0.000 0.951 308 N CB 0.035 38.529 38.487 0.011 0.000 1.281 308 N HN 0.349 nan 8.380 nan 0.000 0.507 309 Q N -0.817 119.004 119.800 0.034 0.000 2.093 309 Q HA 0.241 4.580 4.340 -0.001 0.000 0.217 309 Q C 1.159 177.160 176.000 0.003 0.000 0.785 309 Q CA 0.309 56.130 55.803 0.029 0.000 1.038 309 Q CB -0.421 28.352 28.738 0.059 0.000 1.190 309 Q HN 0.581 nan 8.270 nan 0.000 0.468 310 S N -3.000 112.694 115.700 -0.010 0.000 2.589 310 S HA 0.463 4.932 4.470 -0.001 0.000 0.235 310 S C 1.646 176.228 174.600 -0.030 0.000 1.051 310 S CA 0.842 59.019 58.200 -0.040 0.000 0.978 310 S CB 0.319 63.480 63.200 -0.065 0.000 0.929 310 S HN 1.887 nan 8.310 nan 0.000 0.523 311 G N 0.424 109.216 108.800 -0.013 0.000 2.256 311 G HA2 -0.023 3.937 3.960 -0.001 0.000 0.272 311 G HA3 -0.023 3.937 3.960 -0.001 0.000 0.272 311 G C 0.163 175.045 174.900 -0.028 0.000 1.076 311 G CA -0.028 45.062 45.100 -0.016 0.000 0.882 311 G HN 1.734 nan 8.290 nan 0.000 0.497 312 C N -0.512 118.771 119.300 -0.028 0.000 2.968 312 C HA 0.792 5.251 4.460 -0.001 0.000 0.389 312 C C 0.993 175.930 174.990 -0.088 0.000 1.068 312 C CA 0.001 58.980 59.018 -0.065 0.000 1.272 312 C CB 0.387 28.075 27.740 -0.087 0.000 1.711 312 C HN 1.586 nan 8.230 nan 0.000 0.501 313 V N -0.712 119.145 119.914 -0.095 0.000 3.427 313 V HA 0.518 4.637 4.120 -0.001 0.000 0.305 313 V C -0.169 175.772 176.094 -0.256 0.000 1.412 313 V CA 0.638 62.870 62.300 -0.113 0.000 1.086 313 V CB -0.524 31.331 31.823 0.055 0.000 0.964 313 V HN 0.892 nan 8.190 nan 0.000 0.439 314 D N -0.452 119.799 120.400 -0.248 0.000 2.639 314 D HA 0.681 5.320 4.640 -0.001 0.000 0.271 314 D C -1.075 175.106 176.300 -0.199 0.000 1.254 314 D CA -0.532 53.333 54.000 -0.225 0.000 0.810 314 D CB 1.731 42.454 40.800 -0.127 0.000 1.351 314 D HN 0.097 nan 8.370 nan 0.000 0.427 315 I N -0.222 120.240 120.570 -0.180 0.000 2.533 315 I HA 0.272 4.441 4.170 -0.001 0.000 0.290 315 I C -0.229 175.829 176.117 -0.098 0.000 1.056 315 I CA -1.063 60.154 61.300 -0.139 0.000 1.057 315 I CB 2.045 39.946 38.000 -0.165 0.000 1.240 315 I HN 0.084 nan 8.210 nan 0.000 0.423 316 K N 4.144 124.500 120.400 -0.073 0.000 2.453 316 K HA 0.189 4.508 4.320 -0.001 0.000 0.280 316 K C 0.993 177.567 176.600 -0.042 0.000 1.045 316 K CA 1.018 57.273 56.287 -0.053 0.000 1.059 316 K CB 0.195 32.667 32.500 -0.046 0.000 0.901 316 K HN 1.052 nan 8.250 nan 0.000 0.475 317 G N 1.451 110.229 108.800 -0.036 0.000 2.157 317 G HA2 -0.223 3.736 3.960 -0.001 0.000 0.239 317 G HA3 -0.223 3.736 3.960 -0.001 0.000 0.239 317 G C -0.154 174.729 174.900 -0.027 0.000 0.982 317 G CA -0.249 44.838 45.100 -0.023 0.000 0.650 317 G HN 0.445 nan 8.290 nan 0.000 0.527 318 V N 1.065 120.950 119.914 -0.049 0.000 2.409 318 V HA 0.706 4.825 4.120 -0.001 0.000 0.291 318 V C 0.385 176.445 176.094 -0.058 0.000 1.020 318 V CA 0.104 62.366 62.300 -0.063 0.000 0.848 318 V CB 1.799 33.553 31.823 -0.116 0.000 0.990 318 V HN 0.566 nan 8.190 nan 0.000 0.430 319 S N 3.405 119.085 115.700 -0.034 0.000 2.466 319 S HA 0.193 4.662 4.470 -0.001 0.000 0.313 319 S C 0.838 175.433 174.600 -0.009 0.000 1.078 319 S CA -0.645 57.544 58.200 -0.018 0.000 1.115 319 S CB 0.240 63.439 63.200 -0.001 0.000 1.006 319 S HN 0.750 nan 8.310 nan 0.000 0.487 320 D N 3.779 124.167 120.400 -0.019 0.000 2.309 320 D HA -0.043 4.597 4.640 -0.001 0.000 0.212 320 D C 1.983 178.303 176.300 0.033 0.000 0.968 320 D CA 1.286 55.287 54.000 0.002 0.000 0.882 320 D CB 0.264 41.073 40.800 0.015 0.000 0.918 320 D HN 0.883 nan 8.370 nan 0.000 0.503 321 E N 0.695 120.915 120.200 0.034 0.000 2.230 321 E HA -0.083 4.266 4.350 -0.001 0.000 0.192 321 E C 1.743 178.401 176.600 0.097 0.000 0.987 321 E CA 0.811 57.250 56.400 0.066 0.000 0.841 321 E CB -0.679 29.050 29.700 0.047 0.000 0.783 321 E HN 0.201 nan 8.360 nan 0.000 0.481 322 D N -0.098 120.339 120.400 0.061 0.000 2.216 322 D HA -0.071 4.569 4.640 -0.001 0.000 0.208 322 D C 1.997 178.332 176.300 0.058 0.000 0.960 322 D CA 0.693 54.723 54.000 0.050 0.000 0.861 322 D CB 0.004 40.822 40.800 0.030 0.000 0.985 322 D HN 0.719 nan 8.370 nan 0.000 0.493 323 E N 0.074 120.312 120.200 0.062 0.000 2.110 323 E HA -0.157 4.192 4.350 -0.001 0.000 0.193 323 E C 1.972 178.635 176.600 0.105 0.000 0.988 323 E CA 0.672 57.113 56.400 0.069 0.000 0.804 323 E CB -0.416 29.319 29.700 0.058 0.000 0.745 323 E HN 0.436 nan 8.360 nan 0.000 0.458 324 F N 2.453 122.367 119.950 -0.060 0.000 2.307 324 F HA -0.144 4.383 4.527 -0.001 0.000 0.301 324 F C 1.703 177.450 175.800 -0.089 0.000 1.076 324 F CA 1.243 59.173 58.000 -0.118 0.000 1.383 324 F CB 0.064 38.971 39.000 -0.155 0.000 1.055 324 F HN -0.168 nan 8.300 nan 0.000 0.526 325 K N -0.200 120.201 120.400 0.001 0.000 2.242 325 K HA 0.061 4.380 4.320 -0.001 0.000 0.200 325 K C 2.066 178.632 176.600 -0.057 0.000 1.050 325 K CA 1.172 57.405 56.287 -0.091 0.000 0.981 325 K CB -0.147 32.331 32.500 -0.037 0.000 0.795 325 K HN 0.462 nan 8.250 nan 0.000 0.477 326 I N -0.476 120.091 120.570 -0.006 0.000 2.353 326 I HA -0.156 4.013 4.170 -0.001 0.000 0.248 326 I C 1.838 177.959 176.117 0.007 0.000 1.119 326 I CA 1.431 62.735 61.300 0.008 0.000 1.417 326 I CB -0.381 37.636 38.000 0.028 0.000 1.078 326 I HN -0.116 nan 8.210 nan 0.000 0.421 327 T N 1.375 115.932 114.554 0.005 0.000 2.622 327 T HA -0.147 4.203 4.350 -0.001 0.000 0.266 327 T C 1.997 176.706 174.700 0.015 0.000 1.047 327 T CA 2.211 64.324 62.100 0.022 0.000 1.159 327 T CB -0.280 68.611 68.868 0.038 0.000 0.863 327 T HN 0.432 nan 8.240 nan 0.000 0.422 328 R N 1.056 121.512 120.500 -0.074 0.000 2.073 328 R HA -0.101 4.238 4.340 -0.001 0.000 0.234 328 R C 2.731 179.027 176.300 -0.007 0.000 1.134 328 R CA 1.323 57.398 56.100 -0.041 0.000 0.952 328 R CB -0.486 29.710 30.300 -0.172 0.000 0.850 328 R HN 0.475 nan 8.270 nan 0.000 0.433 329 Q N 1.308 121.091 119.800 -0.028 0.000 2.197 329 Q HA -0.250 4.089 4.340 -0.001 0.000 0.211 329 Q C 1.730 177.745 176.000 0.025 0.000 0.993 329 Q CA 2.362 58.164 55.803 -0.002 0.000 0.883 329 Q CB -0.093 28.643 28.738 -0.004 0.000 0.916 329 Q HN 0.415 nan 8.270 nan 0.000 0.418 330 A N 0.301 123.142 122.820 0.034 0.000 1.911 330 A HA 0.015 4.334 4.320 -0.001 0.000 0.212 330 A C 2.150 179.782 177.584 0.080 0.000 1.189 330 A CA 0.811 52.880 52.037 0.053 0.000 0.639 330 A CB -0.420 18.613 19.000 0.054 0.000 0.839 330 A HN 0.435 nan 8.150 nan 0.000 0.449 331 M N -0.268 119.371 119.600 0.066 0.000 2.080 331 M HA -0.211 4.269 4.480 -0.001 0.000 0.260 331 M C 1.606 178.021 176.300 0.192 0.000 1.068 331 M CA 2.072 57.415 55.300 0.073 0.000 1.109 331 M CB -0.283 32.305 32.600 -0.020 0.000 1.342 331 M HN 0.370 nan 8.290 nan 0.000 0.405 332 D N 0.315 120.786 120.400 0.118 0.000 2.088 332 D HA -0.186 4.453 4.640 -0.001 0.000 0.191 332 D C 1.684 178.038 176.300 0.090 0.000 0.992 332 D CA 1.898 55.959 54.000 0.102 0.000 0.831 332 D CB -0.555 40.279 40.800 0.057 0.000 0.973 332 D HN 0.538 nan 8.370 nan 0.000 0.447 333 I N -0.701 119.910 120.570 0.068 0.000 2.399 333 I HA -0.202 3.967 4.170 -0.001 0.000 0.254 333 I C 1.674 177.825 176.117 0.056 0.000 1.146 333 I CA 1.155 62.485 61.300 0.050 0.000 1.412 333 I CB -0.686 37.335 38.000 0.036 0.000 1.076 333 I HN -0.071 nan 8.210 nan 0.000 0.432 334 V N 0.769 120.749 119.914 0.111 0.000 3.380 334 V HA 0.403 4.522 4.120 -0.001 0.000 0.268 334 V C 2.004 178.107 176.094 0.016 0.000 1.168 334 V CA 0.717 63.081 62.300 0.105 0.000 1.156 334 V CB -1.298 30.656 31.823 0.218 0.000 0.785 334 V HN 0.830 nan 8.190 nan 0.000 0.487 335 G N -0.476 108.343 108.800 0.032 0.000 2.278 335 G HA2 -0.216 3.743 3.960 -0.001 0.000 0.210 335 G HA3 -0.216 3.743 3.960 -0.001 0.000 0.210 335 G C -0.076 174.767 174.900 -0.095 0.000 1.000 335 G CA -0.357 44.691 45.100 -0.087 0.000 0.635 335 G HN 0.356 nan 8.290 nan 0.000 0.495 336 F N 3.563 123.476 119.950 -0.062 0.000 2.608 336 F HA 0.420 4.946 4.527 -0.001 0.000 0.380 336 F C 1.708 177.501 175.800 -0.012 0.000 1.083 336 F CA 0.403 58.372 58.000 -0.051 0.000 1.266 336 F CB 0.604 39.571 39.000 -0.055 0.000 1.076 336 F HN 0.344 nan 8.300 nan 0.000 0.574 337 S N 2.716 118.506 115.700 0.150 0.000 2.580 337 S HA -0.018 4.451 4.470 -0.001 0.000 0.266 337 S C 1.000 175.681 174.600 0.134 0.000 1.354 337 S CA -0.799 57.468 58.200 0.112 0.000 1.008 337 S CB 0.811 64.063 63.200 0.087 0.000 0.898 337 S HN 0.664 nan 8.310 nan 0.000 0.555 338 Q N 0.248 120.106 119.800 0.097 0.000 2.224 338 Q HA -0.041 4.299 4.340 -0.001 0.000 0.203 338 Q C 1.683 177.742 176.000 0.098 0.000 0.970 338 Q CA 1.222 57.082 55.803 0.095 0.000 0.865 338 Q CB -0.221 28.561 28.738 0.072 0.000 0.922 338 Q HN 0.771 nan 8.270 nan 0.000 0.445 339 E N 0.492 120.746 120.200 0.090 0.000 2.276 339 E HA -0.082 4.267 4.350 -0.001 0.000 0.193 339 E C 1.564 178.222 176.600 0.096 0.000 0.983 339 E CA 0.321 56.771 56.400 0.084 0.000 0.861 339 E CB 0.357 30.096 29.700 0.066 0.000 0.817 339 E HN 0.537 nan 8.360 nan 0.000 0.485 340 E N 0.053 120.333 120.200 0.134 0.000 2.481 340 E HA -0.100 4.249 4.350 -0.001 0.000 0.195 340 E C 1.663 178.381 176.600 0.197 0.000 1.047 340 E CA 0.368 56.889 56.400 0.201 0.000 0.867 340 E CB 0.137 30.018 29.700 0.302 0.000 0.858 340 E HN 0.151 nan 8.360 nan 0.000 0.513 341 Q N -0.360 119.508 119.800 0.114 0.000 2.204 341 Q HA 0.075 4.414 4.340 -0.001 0.000 0.198 341 Q C 2.131 178.060 176.000 -0.118 0.000 0.946 341 Q CA 0.432 56.204 55.803 -0.051 0.000 0.859 341 Q CB 0.166 28.943 28.738 0.065 0.000 0.946 341 Q HN 0.276 nan 8.270 nan 0.000 0.474 342 M N 0.035 119.671 119.600 0.060 0.000 2.279 342 M HA -0.129 4.351 4.480 -0.001 0.000 0.264 342 M C 1.798 178.150 176.300 0.087 0.000 1.062 342 M CA 1.306 56.683 55.300 0.128 0.000 1.099 342 M CB -0.150 32.520 32.600 0.117 0.000 1.394 342 M HN 0.116 nan 8.290 nan 0.000 0.426 343 S N 0.788 116.499 115.700 0.019 0.000 2.348 343 S HA -0.008 4.462 4.470 -0.001 0.000 0.219 343 S C 1.851 176.419 174.600 -0.053 0.000 1.033 343 S CA 0.893 59.092 58.200 -0.001 0.000 0.974 343 S CB -0.161 63.022 63.200 -0.028 0.000 0.868 343 S HN 0.461 nan 8.310 nan 0.000 0.459 344 I N 1.242 121.700 120.570 -0.187 0.000 2.087 344 I HA -0.265 3.904 4.170 -0.001 0.000 0.240 344 I C 2.057 178.093 176.117 -0.136 0.000 1.054 344 I CA 1.748 62.867 61.300 -0.301 0.000 1.311 344 I CB -1.069 36.555 38.000 -0.626 0.000 1.024 344 I HN 0.213 nan 8.210 nan 0.000 0.402 345 F N 1.847 121.884 119.950 0.145 0.000 2.095 345 F HA -0.215 4.311 4.527 -0.001 0.000 0.298 345 F C 2.623 178.470 175.800 0.078 0.000 1.104 345 F CA 1.653 59.742 58.000 0.149 0.000 1.232 345 F CB -1.256 37.871 39.000 0.212 0.000 0.987 345 F HN 0.156 nan 8.300 nan 0.000 0.475 346 K N 0.922 121.425 120.400 0.171 0.000 2.152 346 K HA -0.167 4.153 4.320 -0.001 0.000 0.206 346 K C 1.842 178.445 176.600 0.005 0.000 1.048 346 K CA 1.982 58.315 56.287 0.076 0.000 0.933 346 K CB -1.066 31.467 32.500 0.054 0.000 0.721 346 K HN 0.472 nan 8.250 nan 0.000 0.447 347 I N -0.083 120.522 120.570 0.058 0.000 2.394 347 I HA -0.146 4.023 4.170 -0.001 0.000 0.251 347 I C 1.874 178.054 176.117 0.105 0.000 1.136 347 I CA 1.063 62.427 61.300 0.107 0.000 1.425 347 I CB -0.185 37.956 38.000 0.234 0.000 1.079 347 I HN 0.003 nan 8.210 nan 0.000 0.425 348 I N 2.156 122.813 120.570 0.146 0.000 2.099 348 I HA -0.304 3.865 4.170 -0.001 0.000 0.239 348 I C 2.905 179.097 176.117 0.125 0.000 1.066 348 I CA 1.846 63.266 61.300 0.200 0.000 1.324 348 I CB -1.931 36.208 38.000 0.231 0.000 1.037 348 I HN 0.425 nan 8.210 nan 0.000 0.401 349 A N 1.326 124.163 122.820 0.029 0.000 1.884 349 A HA -0.215 4.104 4.320 -0.001 0.000 0.219 349 A C 2.540 180.088 177.584 -0.060 0.000 1.197 349 A CA 2.491 54.480 52.037 -0.079 0.000 0.637 349 A CB -1.586 17.438 19.000 0.040 0.000 0.827 349 A HN 0.474 nan 8.150 nan 0.000 0.450 350 G N -0.201 108.497 108.800 -0.170 0.000 2.505 350 G HA2 -0.284 3.675 3.960 -0.001 0.000 0.220 350 G HA3 -0.284 3.675 3.960 -0.001 0.000 0.220 350 G C 1.507 176.394 174.900 -0.021 0.000 1.145 350 G CA 1.268 46.087 45.100 -0.468 0.000 0.761 350 G HN 0.521 nan 8.290 nan 0.000 0.571 351 I N -0.273 120.375 120.570 0.130 0.000 2.394 351 I HA -0.094 4.075 4.170 -0.001 0.000 0.251 351 I C 2.616 178.829 176.117 0.161 0.000 1.136 351 I CA 0.221 61.705 61.300 0.306 0.000 1.425 351 I CB -0.213 38.062 38.000 0.459 0.000 1.079 351 I HN 0.119 nan 8.210 nan 0.000 0.425 352 L N 0.611 121.777 121.223 -0.096 0.000 1.943 352 L HA -0.274 4.066 4.340 -0.001 0.000 0.215 352 L C 2.522 179.107 176.870 -0.476 0.000 1.074 352 L CA 2.181 56.690 54.840 -0.552 0.000 0.759 352 L CB -1.240 40.044 42.059 -1.293 0.000 0.888 352 L HN 0.220 nan 8.230 nan 0.000 0.433 353 H N -1.790 117.129 119.070 -0.252 0.000 2.289 353 H HA -0.258 4.297 4.556 -0.001 0.000 0.294 353 H C 1.992 177.268 175.328 -0.087 0.000 1.095 353 H CA 1.658 57.660 56.048 -0.077 0.000 1.256 353 H CB -0.543 29.208 29.762 -0.019 0.000 1.359 353 H HN 0.091 nan 8.280 nan 0.000 0.487 354 L N 0.408 121.706 121.223 0.125 0.000 2.011 354 L HA -0.213 4.127 4.340 -0.001 0.000 0.225 354 L C 2.660 179.517 176.870 -0.021 0.000 1.084 354 L CA 2.289 57.209 54.840 0.133 0.000 0.791 354 L CB -1.289 40.937 42.059 0.278 0.000 0.898 354 L HN 0.518 nan 8.230 nan 0.000 0.440 355 G N -2.187 106.453 108.800 -0.267 0.000 2.625 355 G HA2 -0.220 3.739 3.960 -0.001 0.000 0.214 355 G HA3 -0.220 3.739 3.960 -0.001 0.000 0.214 355 G C 1.349 175.970 174.900 -0.466 0.000 1.132 355 G CA 0.595 45.288 45.100 -0.678 0.000 0.782 355 G HN 0.415 nan 8.290 nan 0.000 0.538 356 N N 0.101 118.646 118.700 -0.257 0.000 2.405 356 N HA 0.115 4.854 4.740 -0.001 0.000 0.175 356 N C 0.905 176.341 175.510 -0.123 0.000 1.051 356 N CA -0.257 52.715 53.050 -0.129 0.000 0.899 356 N CB 0.208 38.705 38.487 0.016 0.000 1.000 356 N HN 0.239 nan 8.380 nan 0.000 0.451 357 I N 1.881 122.359 120.570 -0.153 0.000 2.828 357 I HA -0.159 4.010 4.170 -0.001 0.000 0.292 357 I C 0.644 176.540 176.117 -0.368 0.000 1.206 357 I CA 0.391 61.547 61.300 -0.240 0.000 1.420 357 I CB 0.142 37.968 38.000 -0.291 0.000 1.368 357 I HN -0.082 nan 8.210 nan 0.000 0.556 358 K N 8.211 128.430 120.400 -0.301 0.000 2.316 358 K HA 0.406 4.725 4.320 -0.001 0.000 0.267 358 K C -1.115 175.359 176.600 -0.209 0.000 1.025 358 K CA -0.262 55.879 56.287 -0.244 0.000 0.896 358 K CB 0.535 32.973 32.500 -0.102 0.000 1.124 358 K HN 0.225 nan 8.250 nan 0.000 0.451 359 F N 2.851 122.813 119.950 0.019 0.000 2.404 359 F HA 0.304 4.830 4.527 -0.001 0.000 0.345 359 F C 0.438 176.245 175.800 0.012 0.000 1.110 359 F CA -0.639 57.370 58.000 0.016 0.000 1.130 359 F CB 1.299 40.312 39.000 0.022 0.000 1.129 359 F HN 0.434 nan 8.300 nan 0.000 0.500 360 E N 0.799 121.126 120.200 0.212 0.000 2.195 360 E HA 0.402 4.751 4.350 -0.001 0.000 0.271 360 E C 0.067 176.719 176.600 0.085 0.000 0.923 360 E CA -0.767 55.702 56.400 0.116 0.000 0.790 360 E CB 1.359 31.101 29.700 0.071 0.000 1.155 360 E HN 0.549 nan 8.360 nan 0.000 0.402 361 K N 2.094 122.528 120.400 0.057 0.000 3.025 361 K HA 0.163 4.482 4.320 -0.001 0.000 0.260 361 K C 0.998 177.612 176.600 0.024 0.000 1.023 361 K CA 0.551 56.857 56.287 0.031 0.000 1.194 361 K CB -1.103 31.412 32.500 0.026 0.000 1.094 361 K HN 0.672 nan 8.250 nan 0.000 0.460 362 G N 1.251 110.068 108.800 0.028 0.000 2.992 362 G HA2 -0.145 3.814 3.960 -0.001 0.000 0.199 362 G HA3 -0.145 3.814 3.960 -0.001 0.000 0.199 362 G C 1.833 176.740 174.900 0.012 0.000 1.380 362 G CA 1.522 46.635 45.100 0.021 0.000 0.776 362 G HN 1.123 nan 8.290 nan 0.000 0.757 363 A N -0.819 122.005 122.820 0.007 0.000 2.255 363 A HA 0.334 4.654 4.320 -0.001 0.000 0.218 363 A C 1.881 179.470 177.584 0.008 0.000 1.175 363 A CA 2.250 54.289 52.037 0.004 0.000 0.682 363 A CB -0.691 18.307 19.000 -0.004 0.000 0.784 363 A HN 2.128 nan 8.150 nan 0.000 0.482 364 G N -3.544 105.262 108.800 0.009 0.000 2.725 364 G HA2 0.265 4.224 3.960 -0.001 0.000 0.100 364 G HA3 0.265 4.224 3.960 -0.001 0.000 0.100 364 G C 0.833 175.740 174.900 0.012 0.000 2.315 364 G CA 0.915 46.022 45.100 0.011 0.000 1.153 364 G HN 0.842 nan 8.290 nan 0.000 0.325 365 E N 0.493 120.702 120.200 0.014 0.000 2.332 365 E HA 0.566 4.916 4.350 -0.001 0.000 0.202 365 E C 1.707 178.314 176.600 0.011 0.000 0.877 365 E CA 1.350 57.758 56.400 0.014 0.000 0.979 365 E CB -0.448 29.262 29.700 0.018 0.000 0.969 365 E HN 1.554 nan 8.360 nan 0.000 0.495 366 G N 0.043 108.853 108.800 0.017 0.000 2.664 366 G HA2 0.471 4.430 3.960 -0.001 0.000 0.242 366 G HA3 0.471 4.430 3.960 -0.001 0.000 0.242 366 G C 0.292 175.177 174.900 -0.026 0.000 1.225 366 G CA 0.354 45.454 45.100 0.001 0.000 0.849 366 G HN 1.007 nan 8.290 nan 0.000 0.581 367 A N -0.433 122.352 122.820 -0.060 0.000 2.340 367 A HA 0.786 5.105 4.320 -0.001 0.000 0.331 367 A C -0.231 177.338 177.584 -0.025 0.000 1.140 367 A CA -0.306 51.697 52.037 -0.057 0.000 0.801 367 A CB 1.892 20.787 19.000 -0.176 0.000 1.234 367 A HN 2.004 nan 8.150 nan 0.000 0.469 368 V N 1.693 121.641 119.914 0.057 0.000 3.160 368 V HA 0.814 4.933 4.120 -0.001 0.000 0.310 368 V C -1.897 174.296 176.094 0.166 0.000 1.181 368 V CA -0.826 61.522 62.300 0.080 0.000 1.047 368 V CB 1.964 33.806 31.823 0.031 0.000 1.068 368 V HN 0.826 nan 8.190 nan 0.000 0.441 369 L N 3.604 124.902 121.223 0.125 0.000 2.298 369 L HA 0.767 5.106 4.340 -0.001 0.000 0.284 369 L C 1.126 178.021 176.870 0.041 0.000 1.013 369 L CA 1.010 55.909 54.840 0.098 0.000 0.824 369 L CB 1.175 43.282 42.059 0.079 0.000 1.221 369 L HN 1.029 nan 8.230 nan 0.000 0.418 370 K N 1.840 122.255 120.400 0.026 0.000 2.098 370 K HA 0.077 4.396 4.320 -0.001 0.000 0.203 370 K C 0.521 177.119 176.600 -0.004 0.000 1.051 370 K CA 1.096 57.390 56.287 0.011 0.000 0.957 370 K CB -0.166 32.340 32.500 0.010 0.000 0.738 370 K HN 0.580 nan 8.250 nan 0.000 0.447 371 D N 0.289 120.680 120.400 -0.015 0.000 2.303 371 D HA 0.238 4.877 4.640 -0.001 0.000 0.236 371 D C -0.045 176.234 176.300 -0.034 0.000 1.068 371 D CA -0.412 53.573 54.000 -0.026 0.000 0.830 371 D CB 1.468 42.249 40.800 -0.031 0.000 1.109 371 D HN 0.319 nan 8.370 nan 0.000 0.496 372 K N 1.471 121.852 120.400 -0.031 0.000 2.397 372 K HA 0.090 4.410 4.320 -0.001 0.000 0.202 372 K C 1.182 177.754 176.600 -0.046 0.000 1.022 372 K CA -0.064 56.203 56.287 -0.033 0.000 1.141 372 K CB 0.261 32.748 32.500 -0.022 0.000 0.857 372 K HN 0.279 nan 8.250 nan 0.000 0.514 373 T N 0.995 115.519 114.554 -0.050 0.000 2.708 373 T HA -0.160 4.190 4.350 -0.001 0.000 0.266 373 T C 2.287 176.947 174.700 -0.067 0.000 1.037 373 T CA 1.277 63.337 62.100 -0.066 0.000 1.146 373 T CB -0.262 68.572 68.868 -0.056 0.000 0.865 373 T HN 0.297 nan 8.240 nan 0.000 0.435 374 A N 2.064 124.871 122.820 -0.023 0.000 1.851 374 A HA -0.041 4.278 4.320 -0.001 0.000 0.216 374 A C 2.368 179.940 177.584 -0.020 0.000 1.195 374 A CA 1.896 53.951 52.037 0.030 0.000 0.622 374 A CB -1.167 17.852 19.000 0.031 0.000 0.831 374 A HN 0.487 nan 8.150 nan 0.000 0.444 375 L N 0.279 121.489 121.223 -0.020 0.000 1.978 375 L HA -0.309 4.031 4.340 -0.001 0.000 0.218 375 L C 2.048 178.908 176.870 -0.016 0.000 1.075 375 L CA 2.820 57.663 54.840 0.004 0.000 0.767 375 L CB -0.776 41.283 42.059 -0.000 0.000 0.890 375 L HN 0.552 nan 8.230 nan 0.000 0.434 376 N N -0.583 118.084 118.700 -0.056 0.000 2.043 376 N HA -0.245 4.494 4.740 -0.001 0.000 0.193 376 N C 1.895 177.320 175.510 -0.142 0.000 1.037 376 N CA 1.282 54.284 53.050 -0.081 0.000 0.851 376 N CB -0.353 38.078 38.487 -0.095 0.000 1.027 376 N HN 0.593 nan 8.380 nan 0.000 0.422 377 A N 1.073 123.742 122.820 -0.253 0.000 1.917 377 A HA -0.149 4.170 4.320 -0.001 0.000 0.219 377 A C 2.291 179.627 177.584 -0.414 0.000 1.182 377 A CA 1.987 53.757 52.037 -0.446 0.000 0.633 377 A CB -0.917 17.711 19.000 -0.621 0.000 0.819 377 A HN 0.414 nan 8.150 nan 0.000 0.448 378 A N -1.040 121.575 122.820 -0.342 0.000 1.855 378 A HA -0.034 4.285 4.320 -0.001 0.000 0.215 378 A C 2.451 180.102 177.584 0.112 0.000 1.191 378 A CA 1.960 53.920 52.037 -0.129 0.000 0.613 378 A CB -0.984 18.074 19.000 0.097 0.000 0.829 378 A HN 0.441 nan 8.150 nan 0.000 0.442 379 S N -0.353 115.420 115.700 0.123 0.000 2.400 379 S HA -0.127 4.342 4.470 -0.001 0.000 0.232 379 S C 1.991 176.666 174.600 0.126 0.000 1.025 379 S CA 1.780 60.075 58.200 0.157 0.000 0.993 379 S CB -0.485 62.745 63.200 0.050 0.000 0.808 379 S HN 0.722 nan 8.310 nan 0.000 0.478 380 T N 0.547 115.132 114.554 0.053 0.000 2.821 380 T HA -0.008 4.342 4.350 -0.001 0.000 0.267 380 T C 1.442 176.194 174.700 0.086 0.000 1.046 380 T CA 1.027 63.162 62.100 0.059 0.000 1.139 380 T CB -0.114 68.785 68.868 0.051 0.000 0.871 380 T HN 0.267 nan 8.240 nan 0.000 0.454 381 V N 0.318 120.261 119.914 0.049 0.000 3.177 381 V HA 0.443 4.562 4.120 -0.001 0.000 0.342 381 V C 0.345 176.449 176.094 0.017 0.000 1.379 381 V CA -0.036 62.269 62.300 0.009 0.000 1.191 381 V CB -0.816 30.976 31.823 -0.052 0.000 1.167 381 V HN 0.542 nan 8.190 nan 0.000 0.471 382 F N 0.211 120.214 119.950 0.089 0.000 2.699 382 F HA 0.420 4.946 4.527 -0.001 0.000 0.295 382 F C 1.736 177.590 175.800 0.090 0.000 1.052 382 F CA 0.362 58.438 58.000 0.128 0.000 1.239 382 F CB 1.144 40.273 39.000 0.216 0.000 1.018 382 F HN 0.293 nan 8.300 nan 0.000 0.627 383 G N 2.092 111.045 108.800 0.255 0.000 2.164 383 G HA2 -0.150 3.809 3.960 -0.001 0.000 0.212 383 G HA3 -0.150 3.809 3.960 -0.001 0.000 0.212 383 G C -0.515 174.392 174.900 0.011 0.000 1.031 383 G CA 0.102 45.266 45.100 0.106 0.000 0.730 383 G HN 0.534 nan 8.290 nan 0.000 0.501 384 V N -3.185 116.723 119.914 -0.010 0.000 3.126 384 V HA 0.780 4.899 4.120 -0.001 0.000 0.314 384 V C 0.128 176.154 176.094 -0.113 0.000 1.138 384 V CA -1.407 60.790 62.300 -0.173 0.000 1.034 384 V CB 2.147 33.712 31.823 -0.429 0.000 1.075 384 V HN 0.270 nan 8.190 nan 0.000 0.442 385 N N 2.193 120.801 118.700 -0.154 0.000 2.426 385 N HA 0.376 5.115 4.740 -0.001 0.000 0.257 385 N C -1.857 173.598 175.510 -0.092 0.000 1.002 385 N CA -1.669 51.322 53.050 -0.098 0.000 0.942 385 N CB 2.188 40.622 38.487 -0.090 0.000 1.112 385 N HN 0.545 nan 8.380 nan 0.000 0.499 386 P HA -0.195 nan 4.420 nan 0.000 0.217 386 P C 1.026 178.308 177.300 -0.031 0.000 1.158 386 P CA 1.589 64.671 63.100 -0.031 0.000 0.887 386 P CB 0.177 31.864 31.700 -0.023 0.000 0.792 387 S N -0.755 114.923 115.700 -0.036 0.000 2.383 387 S HA -0.080 4.390 4.470 -0.001 0.000 0.227 387 S C 2.156 176.734 174.600 -0.036 0.000 1.026 387 S CA 1.028 59.211 58.200 -0.029 0.000 0.981 387 S CB -1.511 61.673 63.200 -0.028 0.000 0.818 387 S HN -0.036 nan 8.310 nan 0.000 0.472 388 V N 2.258 122.136 119.914 -0.061 0.000 2.237 388 V HA -0.152 3.967 4.120 -0.001 0.000 0.245 388 V C 2.335 178.381 176.094 -0.080 0.000 1.046 388 V CA 1.807 64.059 62.300 -0.080 0.000 1.007 388 V CB -0.754 30.995 31.823 -0.122 0.000 0.638 388 V HN 0.398 nan 8.190 nan 0.000 0.445 389 L N 1.176 122.338 121.223 -0.103 0.000 1.963 389 L HA -0.276 4.063 4.340 -0.001 0.000 0.220 389 L C 2.644 179.524 176.870 0.017 0.000 1.076 389 L CA 2.934 57.733 54.840 -0.069 0.000 0.772 389 L CB -1.096 40.932 42.059 -0.052 0.000 0.892 389 L HN 0.696 nan 8.230 nan 0.000 0.435 390 E N -0.592 119.628 120.200 0.034 0.000 2.097 390 E HA -0.341 4.009 4.350 -0.001 0.000 0.196 390 E C 2.239 178.875 176.600 0.059 0.000 1.000 390 E CA 1.933 58.379 56.400 0.077 0.000 0.804 390 E CB -0.553 29.189 29.700 0.071 0.000 0.740 390 E HN 0.528 nan 8.360 nan 0.000 0.454 391 K N 0.505 120.917 120.400 0.019 0.000 2.103 391 K HA -0.116 4.203 4.320 -0.001 0.000 0.207 391 K C 2.149 178.759 176.600 0.015 0.000 1.048 391 K CA 1.477 57.767 56.287 0.007 0.000 0.930 391 K CB -0.284 32.211 32.500 -0.008 0.000 0.716 391 K HN 0.297 nan 8.250 nan 0.000 0.444 392 A N 0.419 123.248 122.820 0.015 0.000 1.897 392 A HA -0.106 4.213 4.320 -0.001 0.000 0.215 392 A C 1.891 179.504 177.584 0.049 0.000 1.181 392 A CA 0.885 52.937 52.037 0.023 0.000 0.620 392 A CB -0.529 18.475 19.000 0.006 0.000 0.821 392 A HN 0.214 nan 8.150 nan 0.000 0.443 393 L N -0.133 121.139 121.223 0.081 0.000 1.963 393 L HA -0.234 4.105 4.340 -0.001 0.000 0.220 393 L C 2.755 179.644 176.870 0.032 0.000 1.076 393 L CA 2.587 57.502 54.840 0.125 0.000 0.772 393 L CB -0.955 41.247 42.059 0.238 0.000 0.892 393 L HN 0.520 nan 8.230 nan 0.000 0.435 394 M N -1.794 117.806 119.600 -0.000 0.000 2.299 394 M HA -0.011 4.469 4.480 -0.001 0.000 0.264 394 M C 0.404 176.684 176.300 -0.033 0.000 1.095 394 M CA 1.028 56.271 55.300 -0.094 0.000 1.165 394 M CB -0.294 32.239 32.600 -0.111 0.000 1.349 394 M HN 0.091 nan 8.290 nan 0.000 0.446 395 E N 1.443 121.649 120.200 0.009 0.000 3.012 395 E HA 0.263 4.612 4.350 -0.001 0.000 0.228 395 E C -2.383 174.257 176.600 0.067 0.000 1.184 395 E CA -1.877 54.572 56.400 0.081 0.000 1.407 395 E CB 0.020 29.789 29.700 0.115 0.000 1.438 395 E HN 0.196 nan 8.360 nan 0.000 0.435 396 P HA -0.047 nan 4.420 nan 0.000 0.269 396 P C -0.590 176.728 177.300 0.029 0.000 1.217 396 P CA 0.028 63.147 63.100 0.032 0.000 0.783 396 P CB 0.579 32.296 31.700 0.028 0.000 0.898 397 R N 1.226 121.736 120.500 0.017 0.000 2.387 397 R HA 0.743 5.082 4.340 -0.001 0.000 0.314 397 R C -0.442 175.859 176.300 0.001 0.000 0.958 397 R CA -0.889 55.216 56.100 0.008 0.000 0.846 397 R CB 1.003 31.306 30.300 0.005 0.000 1.147 397 R HN 0.317 nan 8.270 nan 0.000 0.447 398 I N 2.142 122.709 120.570 -0.006 0.000 3.264 398 I HA 0.432 4.601 4.170 -0.001 0.000 0.309 398 I C -1.220 174.889 176.117 -0.014 0.000 1.099 398 I CA -2.340 58.954 61.300 -0.009 0.000 0.989 398 I CB 2.153 40.149 38.000 -0.007 0.000 1.250 398 I HN 0.607 nan 8.210 nan 0.000 0.478 399 L N 3.428 124.641 121.223 -0.016 0.000 2.282 399 L HA 0.650 4.989 4.340 -0.001 0.000 0.288 399 L C -0.133 176.728 176.870 -0.016 0.000 1.033 399 L CA -0.686 54.144 54.840 -0.018 0.000 0.807 399 L CB 1.352 43.399 42.059 -0.020 0.000 1.209 399 L HN 0.688 nan 8.230 nan 0.000 0.423 400 A N 2.667 125.477 122.820 -0.016 0.000 3.000 400 A HA 0.601 4.920 4.320 -0.001 0.000 0.315 400 A C 1.015 178.591 177.584 -0.013 0.000 1.434 400 A CA 0.311 52.340 52.037 -0.015 0.000 1.108 400 A CB -0.218 18.771 19.000 -0.019 0.000 1.171 400 A HN 1.064 nan 8.150 nan 0.000 0.524 401 G N 0.005 108.798 108.800 -0.011 0.000 2.527 401 G HA2 0.098 4.057 3.960 -0.001 0.000 0.218 401 G HA3 0.098 4.057 3.960 -0.001 0.000 0.218 401 G C 0.817 175.710 174.900 -0.012 0.000 1.177 401 G CA 0.979 46.073 45.100 -0.010 0.000 0.695 401 G HN 2.195 nan 8.290 nan 0.000 0.517 402 R N -0.343 120.149 120.500 -0.014 0.000 2.605 402 R HA 0.438 4.777 4.340 -0.001 0.000 0.053 402 R C -0.557 175.735 176.300 -0.014 0.000 0.504 402 R CA 1.320 57.411 56.100 -0.015 0.000 0.747 402 R CB -1.307 nan 30.300 nan 0.000 0.848 402 R HN 1.058 nan 8.270 nan 0.000 0.598 403 D N 0.766 121.157 120.400 -0.015 0.000 2.375 403 D HA 0.490 5.130 4.640 -0.001 0.000 0.247 403 D C -0.304 175.986 176.300 -0.017 0.000 1.061 403 D CA -0.813 53.178 54.000 -0.015 0.000 0.834 403 D CB 1.524 42.315 40.800 -0.016 0.000 1.247 403 D HN 0.068 nan 8.370 nan 0.000 0.489 404 L N 4.767 125.981 121.223 -0.016 0.000 2.385 404 L HA 0.193 4.532 4.340 -0.001 0.000 0.285 404 L C -0.155 176.704 176.870 -0.019 0.000 1.125 404 L CA -0.369 54.462 54.840 -0.015 0.000 0.890 404 L CB 0.030 42.082 42.059 -0.012 0.000 1.251 404 L HN 0.306 nan 8.230 nan 0.000 0.445 405 V N 1.861 121.760 119.914 -0.024 0.000 2.328 405 V HA 0.771 4.890 4.120 -0.001 0.000 0.278 405 V C 0.543 176.614 176.094 -0.037 0.000 1.021 405 V CA -1.018 61.260 62.300 -0.038 0.000 0.838 405 V CB 1.113 32.909 31.823 -0.044 0.000 0.999 405 V HN 0.708 nan 8.190 nan 0.000 0.447 406 A N 5.199 127.996 122.820 -0.039 0.000 2.450 406 A HA 0.454 4.774 4.320 -0.001 0.000 0.255 406 A C 0.372 177.916 177.584 -0.067 0.000 1.096 406 A CA -0.249 51.779 52.037 -0.015 0.000 0.778 406 A CB 0.261 19.282 19.000 0.034 0.000 1.031 406 A HN 0.905 nan 8.150 nan 0.000 0.494 407 Q N 0.814 120.609 119.800 -0.009 0.000 2.260 407 Q HA 0.276 4.615 4.340 -0.001 0.000 0.242 407 Q C -0.914 175.152 176.000 0.110 0.000 0.932 407 Q CA 0.124 55.916 55.803 -0.019 0.000 0.891 407 Q CB 0.971 29.710 28.738 0.002 0.000 1.222 407 Q HN 0.862 nan 8.270 nan 0.000 0.453 408 H N 1.740 120.791 119.070 -0.030 0.000 2.800 408 H HA 0.388 4.943 4.556 -0.001 0.000 0.322 408 H C -0.629 174.666 175.328 -0.055 0.000 0.979 408 H CA -0.533 55.491 56.048 -0.041 0.000 1.277 408 H CB 0.969 30.712 29.762 -0.033 0.000 1.484 408 H HN 0.295 nan 8.280 nan 0.000 0.512 409 L N 2.617 123.860 121.223 0.035 0.000 2.360 409 L HA 0.234 4.573 4.340 -0.001 0.000 0.271 409 L C 0.549 177.368 176.870 -0.085 0.000 1.057 409 L CA -1.139 53.679 54.840 -0.037 0.000 0.803 409 L CB 0.786 42.800 42.059 -0.075 0.000 1.207 409 L HN 0.673 nan 8.230 nan 0.000 0.445 410 N N 0.269 118.926 118.700 -0.070 0.000 2.453 410 N HA -0.036 4.703 4.740 -0.001 0.000 0.253 410 N C 0.706 176.124 175.510 -0.152 0.000 1.252 410 N CA -0.305 52.698 53.050 -0.079 0.000 0.917 410 N CB 0.800 39.264 38.487 -0.037 0.000 1.117 410 N HN 0.446 nan 8.380 nan 0.000 0.442 411 V N 0.120 119.961 119.914 -0.123 0.000 2.527 411 V HA -0.292 3.827 4.120 -0.001 0.000 0.255 411 V C 1.969 178.028 176.094 -0.057 0.000 1.081 411 V CA 2.633 64.860 62.300 -0.122 0.000 1.092 411 V CB -0.877 30.970 31.823 0.040 0.000 0.673 411 V HN 0.922 nan 8.190 nan 0.000 0.470 412 E N -0.558 119.624 120.200 -0.029 0.000 2.060 412 E HA -0.176 4.173 4.350 -0.001 0.000 0.189 412 E C 2.246 178.841 176.600 -0.009 0.000 0.974 412 E CA 0.753 57.161 56.400 0.014 0.000 0.808 412 E CB -0.224 29.486 29.700 0.016 0.000 0.768 412 E HN 0.652 nan 8.360 nan 0.000 0.453 413 K N 0.645 121.015 120.400 -0.049 0.000 2.147 413 K HA -0.068 4.251 4.320 -0.001 0.000 0.205 413 K C 2.362 178.916 176.600 -0.076 0.000 1.049 413 K CA 1.337 57.597 56.287 -0.044 0.000 0.936 413 K CB -0.026 32.448 32.500 -0.043 0.000 0.722 413 K HN 0.027 nan 8.250 nan 0.000 0.446 414 S N 1.025 116.585 115.700 -0.233 0.000 2.351 414 S HA -0.202 4.268 4.470 -0.001 0.000 0.220 414 S C 2.101 176.707 174.600 0.009 0.000 1.035 414 S CA 1.751 59.694 58.200 -0.428 0.000 1.031 414 S CB -0.472 61.727 63.200 -1.668 0.000 0.928 414 S HN 0.392 nan 8.310 nan 0.000 0.433 415 S N 1.282 117.096 115.700 0.190 0.000 2.440 415 S HA -0.114 4.355 4.470 -0.001 0.000 0.238 415 S C 1.812 176.554 174.600 0.237 0.000 1.010 415 S CA 1.534 59.985 58.200 0.418 0.000 0.972 415 S CB -0.459 62.960 63.200 0.364 0.000 0.774 415 S HN 0.497 nan 8.310 nan 0.000 0.501 416 S N 0.329 116.110 115.700 0.135 0.000 2.395 416 S HA 0.020 4.489 4.470 -0.001 0.000 0.225 416 S C 2.069 176.738 174.600 0.115 0.000 1.027 416 S CA 0.988 59.252 58.200 0.105 0.000 0.965 416 S CB -0.595 62.642 63.200 0.063 0.000 0.812 416 S HN 0.547 nan 8.310 nan 0.000 0.482 417 S N 1.987 117.755 115.700 0.112 0.000 2.357 417 S HA -0.115 4.354 4.470 -0.001 0.000 0.221 417 S C 2.044 176.745 174.600 0.170 0.000 1.031 417 S CA 1.286 59.559 58.200 0.122 0.000 0.982 417 S CB -0.214 63.045 63.200 0.099 0.000 0.853 417 S HN 0.608 nan 8.310 nan 0.000 0.458 418 R N 1.367 122.006 120.500 0.231 0.000 2.200 418 R HA -0.051 4.288 4.340 -0.001 0.000 0.234 418 R C 1.165 177.613 176.300 0.247 0.000 1.127 418 R CA 2.035 58.296 56.100 0.269 0.000 0.989 418 R CB -0.791 29.713 30.300 0.340 0.000 0.869 418 R HN 0.253 nan 8.270 nan 0.000 0.459 419 D N 0.832 121.362 120.400 0.217 0.000 2.110 419 D HA 0.054 4.694 4.640 -0.001 0.000 0.202 419 D C 1.977 178.361 176.300 0.140 0.000 0.975 419 D CA 1.864 55.975 54.000 0.185 0.000 0.839 419 D CB -0.562 40.323 40.800 0.143 0.000 0.996 419 D HN 0.327 nan 8.370 nan 0.000 0.464 420 A N 0.906 123.801 122.820 0.125 0.000 1.948 420 A HA -0.184 4.135 4.320 -0.001 0.000 0.220 420 A C 2.154 179.806 177.584 0.112 0.000 1.177 420 A CA 1.452 53.552 52.037 0.105 0.000 0.636 420 A CB -0.758 18.299 19.000 0.096 0.000 0.815 420 A HN 0.297 nan 8.150 nan 0.000 0.449 421 L N -0.589 120.713 121.223 0.131 0.000 2.027 421 L HA -0.053 4.286 4.340 -0.001 0.000 0.206 421 L C 2.296 179.232 176.870 0.110 0.000 1.074 421 L CA 1.926 56.835 54.840 0.114 0.000 0.745 421 L CB -0.708 41.429 42.059 0.130 0.000 0.898 421 L HN 0.099 nan 8.230 nan 0.000 0.433 422 V N 0.522 120.536 119.914 0.167 0.000 2.233 422 V HA -0.338 3.781 4.120 -0.001 0.000 0.247 422 V C 2.701 178.907 176.094 0.186 0.000 1.050 422 V CA 2.483 64.910 62.300 0.212 0.000 1.010 422 V CB -0.630 31.358 31.823 0.275 0.000 0.637 422 V HN 0.536 nan 8.190 nan 0.000 0.444 423 K N 0.146 120.624 120.400 0.130 0.000 2.063 423 K HA -0.180 4.139 4.320 -0.001 0.000 0.208 423 K C 2.269 178.946 176.600 0.128 0.000 1.048 423 K CA 1.565 57.931 56.287 0.131 0.000 0.928 423 K CB -0.521 32.031 32.500 0.086 0.000 0.713 423 K HN 0.489 nan 8.250 nan 0.000 0.442 424 A N 1.760 124.633 122.820 0.089 0.000 1.883 424 A HA -0.181 4.138 4.320 -0.001 0.000 0.217 424 A C 2.149 179.726 177.584 -0.012 0.000 1.186 424 A CA 1.297 53.353 52.037 0.032 0.000 0.624 424 A CB -0.601 18.426 19.000 0.045 0.000 0.822 424 A HN 0.142 nan 8.150 nan 0.000 0.444 425 L N -1.971 119.279 121.223 0.045 0.000 2.079 425 L HA -0.153 4.186 4.340 -0.001 0.000 0.210 425 L C 2.293 179.177 176.870 0.024 0.000 1.081 425 L CA 2.097 56.951 54.840 0.023 0.000 0.752 425 L CB -1.071 41.031 42.059 0.071 0.000 0.896 425 L HN 0.614 nan 8.230 nan 0.000 0.433 426 Y N -0.538 119.766 120.300 0.006 0.000 2.201 426 Y HA 0.062 4.611 4.550 -0.001 0.000 0.292 426 Y C 2.347 178.215 175.900 -0.054 0.000 1.119 426 Y CA 1.470 59.568 58.100 -0.003 0.000 1.127 426 Y CB -0.693 37.803 38.460 0.060 0.000 1.019 426 Y HN 0.123 nan 8.280 nan 0.000 0.514 427 G N 0.685 109.551 108.800 0.111 0.000 2.485 427 G HA2 -0.325 3.634 3.960 -0.001 0.000 0.221 427 G HA3 -0.325 3.634 3.960 -0.001 0.000 0.221 427 G C 1.599 176.461 174.900 -0.062 0.000 1.115 427 G CA 1.156 46.276 45.100 0.034 0.000 0.751 427 G HN 0.554 nan 8.290 nan 0.000 0.567 428 R N -0.671 119.753 120.500 -0.126 0.000 2.312 428 R HA 0.373 4.712 4.340 -0.001 0.000 0.205 428 R C 1.990 178.186 176.300 -0.172 0.000 0.904 428 R CA 0.107 56.109 56.100 -0.163 0.000 1.052 428 R CB -0.248 29.898 30.300 -0.256 0.000 1.014 428 R HN 0.276 nan 8.270 nan 0.000 0.503 429 L N 0.262 121.345 121.223 -0.234 0.000 2.127 429 L HA 0.160 4.499 4.340 -0.001 0.000 0.203 429 L C 1.862 178.602 176.870 -0.216 0.000 1.080 429 L CA 1.335 56.022 54.840 -0.256 0.000 0.768 429 L CB -0.665 41.142 42.059 -0.419 0.000 0.924 429 L HN 0.178 nan 8.230 nan 0.000 0.444 430 F N -0.277 119.369 119.950 -0.507 0.000 2.069 430 F HA -0.270 4.256 4.527 -0.001 0.000 0.298 430 F C 2.248 177.868 175.800 -0.300 0.000 1.113 430 F CA 1.830 59.535 58.000 -0.491 0.000 1.214 430 F CB -0.169 38.536 39.000 -0.492 0.000 0.978 430 F HN 0.020 nan 8.300 nan 0.000 0.474 431 L N -0.821 120.377 121.223 -0.042 0.000 2.010 431 L HA -0.323 4.016 4.340 -0.001 0.000 0.219 431 L C 2.367 179.167 176.870 -0.116 0.000 1.077 431 L CA 2.370 57.164 54.840 -0.077 0.000 0.773 431 L CB -1.127 40.925 42.059 -0.012 0.000 0.892 431 L HN 0.510 nan 8.230 nan 0.000 0.436 432 W N 0.676 121.827 121.300 -0.248 0.000 2.333 432 W HA -0.238 4.421 4.660 -0.001 0.000 0.316 432 W C 2.504 178.904 176.519 -0.199 0.000 1.215 432 W CA 1.585 58.805 57.345 -0.209 0.000 1.278 432 W CB -0.590 28.747 29.460 -0.205 0.000 1.154 432 W HN 0.009 nan 8.180 nan 0.000 0.486 433 L N -0.131 120.924 121.223 -0.279 0.000 2.051 433 L HA -0.323 4.016 4.340 -0.001 0.000 0.214 433 L C 2.201 178.843 176.870 -0.381 0.000 1.076 433 L CA 1.870 56.475 54.840 -0.392 0.000 0.758 433 L CB -1.482 40.275 42.059 -0.505 0.000 0.890 433 L HN -0.092 nan 8.230 nan 0.000 0.433 434 V N 0.314 119.955 119.914 -0.454 0.000 2.343 434 V HA -0.286 3.834 4.120 -0.001 0.000 0.247 434 V C 2.475 178.400 176.094 -0.281 0.000 1.051 434 V CA 2.307 64.390 62.300 -0.362 0.000 1.036 434 V CB -0.973 30.615 31.823 -0.391 0.000 0.654 434 V HN 0.594 nan 8.190 nan 0.000 0.451 435 K N 0.256 120.474 120.400 -0.303 0.000 2.007 435 K HA -0.123 4.196 4.320 -0.001 0.000 0.206 435 K C 2.224 178.626 176.600 -0.330 0.000 1.047 435 K CA 1.055 57.184 56.287 -0.263 0.000 0.937 435 K CB -0.490 31.883 32.500 -0.212 0.000 0.718 435 K HN 0.061 nan 8.250 nan 0.000 0.438 436 K N 0.980 121.072 120.400 -0.513 0.000 2.127 436 K HA -0.156 4.163 4.320 -0.001 0.000 0.212 436 K C 2.013 178.325 176.600 -0.481 0.000 1.050 436 K CA 1.407 57.307 56.287 -0.645 0.000 0.929 436 K CB -0.423 31.457 32.500 -1.034 0.000 0.715 436 K HN 0.280 nan 8.250 nan 0.000 0.457 437 I N 0.815 121.196 120.570 -0.315 0.000 2.086 437 I HA -0.269 3.900 4.170 -0.001 0.000 0.233 437 I C 1.825 177.836 176.117 -0.177 0.000 1.060 437 I CA 1.260 62.449 61.300 -0.186 0.000 1.326 437 I CB -1.159 36.773 38.000 -0.114 0.000 1.067 437 I HN 0.211 nan 8.210 nan 0.000 0.398 438 N N 1.329 119.930 118.700 -0.165 0.000 2.096 438 N HA -0.250 4.489 4.740 -0.001 0.000 0.195 438 N C 1.506 176.931 175.510 -0.142 0.000 1.017 438 N CA 1.744 54.713 53.050 -0.135 0.000 0.870 438 N CB -0.394 38.017 38.487 -0.127 0.000 1.024 438 N HN 0.356 nan 8.380 nan 0.000 0.434 439 N N -0.708 117.885 118.700 -0.179 0.000 2.192 439 N HA -0.155 4.585 4.740 -0.001 0.000 0.188 439 N C 1.252 176.669 175.510 -0.156 0.000 1.013 439 N CA 0.849 53.795 53.050 -0.172 0.000 0.863 439 N CB 0.080 38.438 38.487 -0.216 0.000 0.990 439 N HN 0.066 nan 8.380 nan 0.000 0.430 440 V N 0.413 120.228 119.914 -0.165 0.000 2.575 440 V HA -0.034 4.086 4.120 -0.001 0.000 0.242 440 V C 1.510 177.543 176.094 -0.101 0.000 1.045 440 V CA 0.639 62.858 62.300 -0.135 0.000 1.065 440 V CB 0.043 31.776 31.823 -0.149 0.000 0.717 440 V HN 0.171 nan 8.190 nan 0.000 0.467 441 L N 0.981 122.145 121.223 -0.099 0.000 2.642 441 L HA -0.046 4.294 4.340 -0.001 0.000 0.236 441 L C 0.814 177.635 176.870 -0.083 0.000 1.169 441 L CA 0.908 55.697 54.840 -0.084 0.000 0.851 441 L CB -1.450 40.559 42.059 -0.083 0.000 0.968 441 L HN 0.704 nan 8.230 nan 0.000 0.453 442 C N -4.657 114.593 119.300 -0.083 0.000 3.170 442 C HA 0.953 5.412 4.460 -0.001 0.000 0.319 442 C C -0.013 174.939 174.990 -0.062 0.000 1.260 442 C CA -0.388 58.587 59.018 -0.071 0.000 1.374 442 C CB 0.975 28.673 27.740 -0.070 0.000 1.739 442 C HN 0.349 nan 8.230 nan 0.000 0.479 446 A N -0.712 122.105 122.820 -0.004 0.000 2.414 446 A HA 0.857 5.176 4.320 -0.001 0.000 0.306 446 A C 0.686 178.249 177.584 -0.035 0.000 1.054 446 A CA 0.220 52.265 52.037 0.014 0.000 0.724 446 A CB 1.589 20.618 19.000 0.047 0.000 1.267 446 A HN 2.280 nan 8.150 nan 0.000 0.418 447 A N 0.801 123.591 122.820 -0.050 0.000 1.973 447 A HA 0.601 4.920 4.320 -0.001 0.000 0.210 447 A C 0.089 177.240 177.584 -0.721 0.000 1.200 447 A CA 0.950 52.790 52.037 -0.328 0.000 0.707 447 A CB 0.074 18.986 19.000 -0.146 0.000 0.862 447 A HN 0.905 nan 8.150 nan 0.000 0.461 448 Y N -1.596 118.808 120.300 0.173 0.000 2.558 448 Y HA 0.472 5.021 4.550 -0.001 0.000 0.333 448 Y C -0.684 175.380 175.900 0.273 0.000 1.125 448 Y CA -1.369 56.824 58.100 0.155 0.000 1.039 448 Y CB 1.386 39.929 38.460 0.139 0.000 1.331 448 Y HN 0.327 nan 8.280 nan 0.000 0.456 449 F N 0.693 120.865 119.950 0.369 0.000 2.556 449 F HA 0.927 5.453 4.527 -0.001 0.000 0.327 449 F C -1.409 174.596 175.800 0.342 0.000 1.059 449 F CA -1.345 56.816 58.000 0.267 0.000 0.953 449 F CB 1.310 40.390 39.000 0.134 0.000 1.227 449 F HN 0.255 nan 8.300 nan 0.000 0.478 450 I N 1.923 122.840 120.570 0.578 0.000 2.433 450 I HA 0.456 4.625 4.170 -0.001 0.000 0.292 450 I C 0.218 176.681 176.117 0.576 0.000 1.001 450 I CA -0.994 60.592 61.300 0.477 0.000 1.119 450 I CB 1.796 40.054 38.000 0.429 0.000 1.289 450 I HN 0.954 nan 8.210 nan 0.000 0.438 451 G N 5.081 114.270 108.800 0.648 0.000 2.322 451 G HA2 0.469 4.428 3.960 -0.001 0.000 0.309 451 G HA3 0.469 4.428 3.960 -0.001 0.000 0.309 451 G C -0.559 174.419 174.900 0.131 0.000 1.121 451 G CA -0.344 44.911 45.100 0.260 0.000 0.886 451 G HN 0.478 nan 8.290 nan 0.000 0.447 452 V N 3.396 123.187 119.914 -0.206 0.000 2.293 452 V HA 0.627 4.747 4.120 -0.001 0.000 0.275 452 V C -0.582 175.564 176.094 0.087 0.000 1.021 452 V CA -1.103 61.193 62.300 -0.005 0.000 0.815 452 V CB 0.862 32.694 31.823 0.013 0.000 1.025 452 V HN 0.539 nan 8.190 nan 0.000 0.448 453 L N 5.561 126.986 121.223 0.338 0.000 2.265 453 L HA 0.705 5.044 4.340 -0.001 0.000 0.288 453 L C -0.298 176.687 176.870 0.191 0.000 1.058 453 L CA 0.555 55.637 54.840 0.404 0.000 0.809 453 L CB 1.137 43.403 42.059 0.344 0.000 1.179 453 L HN 0.948 nan 8.230 nan 0.000 0.429 454 D N 5.016 125.493 120.400 0.128 0.000 2.400 454 D HA 0.246 4.885 4.640 -0.001 0.000 0.272 454 D C -0.145 176.147 176.300 -0.012 0.000 1.220 454 D CA -0.381 53.650 54.000 0.051 0.000 0.897 454 D CB 0.165 40.985 40.800 0.033 0.000 1.134 454 D HN 0.313 nan 8.370 nan 0.000 0.507 455 I N 0.938 121.492 120.570 -0.026 0.000 3.292 455 I HA 0.047 4.216 4.170 -0.001 0.000 0.279 455 I C 0.911 176.990 176.117 -0.063 0.000 1.268 455 I CA 0.495 61.751 61.300 -0.074 0.000 1.342 455 I CB 0.760 38.725 38.000 -0.058 0.000 1.366 455 I HN 0.232 nan 8.210 nan 0.000 0.615 456 S N 2.422 118.080 115.700 -0.070 0.000 2.439 456 S HA 0.453 4.923 4.470 -0.001 0.000 0.282 456 S C 0.223 174.810 174.600 -0.022 0.000 1.170 456 S CA -0.636 57.531 58.200 -0.055 0.000 1.054 456 S CB 0.337 63.501 63.200 -0.060 0.000 0.956 456 S HN 0.804 nan 8.310 nan 0.000 0.490 457 G N 2.697 111.494 108.800 -0.005 0.000 2.398 457 G HA2 0.297 4.256 3.960 -0.001 0.000 0.246 457 G HA3 0.297 4.256 3.960 -0.001 0.000 0.246 457 G C -0.236 174.693 174.900 0.048 0.000 1.289 457 G CA -0.471 44.648 45.100 0.032 0.000 0.869 457 G HN 0.669 nan 8.290 nan 0.000 0.543 458 F N 2.419 122.325 119.950 -0.074 0.000 2.579 458 F HA 0.088 4.615 4.527 -0.001 0.000 0.397 458 F C 1.061 176.789 175.800 -0.120 0.000 1.027 458 F CA 0.600 58.548 58.000 -0.087 0.000 1.217 458 F CB 0.483 39.430 39.000 -0.088 0.000 0.986 458 F HN 0.634 nan 8.300 nan 0.000 0.551 459 E N 6.372 126.247 120.200 -0.542 0.000 2.408 459 E HA 0.630 4.979 4.350 -0.001 0.000 0.275 459 E C -1.538 174.587 176.600 -0.792 0.000 0.935 459 E CA -1.013 55.039 56.400 -0.579 0.000 0.775 459 E CB 2.294 31.608 29.700 -0.644 0.000 1.277 459 E HN 0.530 nan 8.360 nan 0.000 0.455 460 I N 1.867 121.999 120.570 -0.731 0.000 2.466 460 I HA 0.427 4.597 4.170 -0.001 0.000 0.289 460 I C -1.122 174.623 176.117 -0.620 0.000 1.026 460 I CA -0.762 60.219 61.300 -0.531 0.000 1.078 460 I CB 0.873 38.719 38.000 -0.257 0.000 1.249 460 I HN 0.471 nan 8.210 nan 0.000 0.429 461 F N 3.879 123.776 119.950 -0.089 0.000 2.671 461 F HA 0.500 5.026 4.527 -0.001 0.000 0.373 461 F C 1.248 177.013 175.800 -0.057 0.000 1.122 461 F CA -0.792 57.175 58.000 -0.055 0.000 1.082 461 F CB 0.498 39.481 39.000 -0.029 0.000 1.399 461 F HN 0.198 nan 8.300 nan 0.000 0.509 462 K N -0.007 120.520 120.400 0.212 0.000 2.116 462 K HA 0.127 4.446 4.320 -0.001 0.000 0.203 462 K C -0.234 176.408 176.600 0.069 0.000 1.052 462 K CA 0.586 56.926 56.287 0.088 0.000 0.952 462 K CB 0.022 32.561 32.500 0.065 0.000 0.729 462 K HN 0.264 nan 8.250 nan 0.000 0.446 463 V N 1.940 121.921 119.914 0.112 0.000 2.435 463 V HA 0.339 4.458 4.120 -0.001 0.000 0.290 463 V C -1.418 174.777 176.094 0.169 0.000 1.030 463 V CA -0.841 61.521 62.300 0.104 0.000 0.881 463 V CB 1.396 33.281 31.823 0.104 0.000 0.983 463 V HN 0.241 nan 8.190 nan 0.000 0.445 464 N N 4.133 122.920 118.700 0.146 0.000 2.346 464 N HA 0.521 5.260 4.740 -0.001 0.000 0.289 464 N C -0.486 175.241 175.510 0.363 0.000 1.027 464 N CA -0.268 52.924 53.050 0.236 0.000 0.864 464 N CB 2.140 40.661 38.487 0.057 0.000 1.370 464 N HN 0.608 nan 8.380 nan 0.000 0.481 465 S N 0.455 116.415 115.700 0.434 0.000 2.618 465 S HA 0.381 4.850 4.470 -0.001 0.000 0.284 465 S C 1.003 176.028 174.600 0.708 0.000 1.102 465 S CA -0.475 58.085 58.200 0.600 0.000 0.984 465 S CB 0.409 63.871 63.200 0.436 0.000 1.280 465 S HN 0.451 nan 8.310 nan 0.000 0.525 466 F N 2.286 122.378 119.950 0.235 0.000 2.065 466 F HA -0.121 4.405 4.527 -0.001 0.000 0.298 466 F C 2.015 177.665 175.800 -0.250 0.000 1.112 466 F CA 2.291 59.962 58.000 -0.548 0.000 1.212 466 F CB -1.027 37.456 39.000 -0.861 0.000 0.975 466 F HN 0.555 nan 8.300 nan 0.000 0.476 467 E N 0.219 120.326 120.200 -0.155 0.000 2.065 467 E HA -0.300 4.049 4.350 -0.001 0.000 0.201 467 E C 2.037 178.570 176.600 -0.111 0.000 1.016 467 E CA 2.063 58.348 56.400 -0.192 0.000 0.818 467 E CB -0.655 29.025 29.700 -0.034 0.000 0.749 467 E HN 0.434 nan 8.360 nan 0.000 0.453 468 Q N 0.026 119.877 119.800 0.085 0.000 2.135 468 Q HA -0.123 4.216 4.340 -0.001 0.000 0.204 468 Q C 2.164 178.234 176.000 0.117 0.000 0.981 468 Q CA 1.014 56.919 55.803 0.169 0.000 0.856 468 Q CB -0.307 28.622 28.738 0.318 0.000 0.902 468 Q HN 0.293 nan 8.270 nan 0.000 0.425 469 L N -0.665 120.513 121.223 -0.075 0.000 2.056 469 L HA -0.186 4.153 4.340 -0.001 0.000 0.207 469 L C 1.799 178.532 176.870 -0.229 0.000 1.078 469 L CA 1.560 56.161 54.840 -0.399 0.000 0.749 469 L CB -0.306 41.448 42.059 -0.509 0.000 0.901 469 L HN 0.307 nan 8.230 nan 0.000 0.433 470 C N -0.821 118.260 119.300 -0.366 0.000 2.457 470 C HA -0.054 4.405 4.460 -0.001 0.000 0.278 470 C C 2.534 177.483 174.990 -0.069 0.000 1.309 470 C CA -0.093 58.776 59.018 -0.248 0.000 1.735 470 C CB -0.957 26.424 27.740 -0.598 0.000 1.992 470 C HN 0.525 nan 8.230 nan 0.000 0.493 471 I N 2.717 123.208 120.570 -0.132 0.000 2.058 471 I HA -0.179 3.990 4.170 -0.001 0.000 0.235 471 I C 2.099 178.206 176.117 -0.017 0.000 1.053 471 I CA 1.619 62.871 61.300 -0.080 0.000 1.313 471 I CB -1.361 36.592 38.000 -0.079 0.000 1.039 471 I HN 0.300 nan 8.210 nan 0.000 0.396 472 N N -0.325 118.346 118.700 -0.049 0.000 2.272 472 N HA -0.257 4.483 4.740 -0.001 0.000 0.185 472 N C 1.868 177.380 175.510 0.003 0.000 1.014 472 N CA 1.060 54.078 53.050 -0.052 0.000 0.870 472 N CB -0.735 37.587 38.487 -0.276 0.000 0.975 472 N HN 0.451 nan 8.380 nan 0.000 0.433 473 Y N 2.394 122.657 120.300 -0.062 0.000 2.114 473 Y HA -0.232 4.317 4.550 -0.001 0.000 0.284 473 Y C 2.406 178.338 175.900 0.054 0.000 1.143 473 Y CA 2.047 60.162 58.100 0.025 0.000 1.135 473 Y CB -1.064 37.423 38.460 0.044 0.000 0.980 473 Y HN 0.186 nan 8.280 nan 0.000 0.499 474 T N -0.723 113.746 114.554 -0.141 0.000 2.622 474 T HA -0.270 4.079 4.350 -0.001 0.000 0.266 474 T C 1.759 176.376 174.700 -0.139 0.000 1.047 474 T CA 1.817 63.774 62.100 -0.239 0.000 1.159 474 T CB -1.121 67.705 68.868 -0.069 0.000 0.863 474 T HN 0.545 nan 8.240 nan 0.000 0.422 475 N N 1.476 120.158 118.700 -0.030 0.000 2.247 475 N HA -0.196 4.543 4.740 -0.001 0.000 0.189 475 N C 1.959 177.468 175.510 -0.002 0.000 1.009 475 N CA 1.476 54.534 53.050 0.013 0.000 0.872 475 N CB -0.241 38.302 38.487 0.094 0.000 0.980 475 N HN 0.616 nan 8.380 nan 0.000 0.436 476 E N 1.315 121.509 120.200 -0.009 0.000 2.427 476 E HA -0.024 4.325 4.350 -0.001 0.000 0.196 476 E C 1.647 178.241 176.600 -0.010 0.000 1.028 476 E CA 0.676 57.087 56.400 0.018 0.000 0.864 476 E CB 0.293 30.054 29.700 0.102 0.000 0.813 476 E HN 0.199 nan 8.360 nan 0.000 0.514 477 K N -0.245 120.107 120.400 -0.079 0.000 2.078 477 K HA -0.013 4.306 4.320 -0.001 0.000 0.203 477 K C 1.958 178.570 176.600 0.019 0.000 1.043 477 K CA 0.558 56.792 56.287 -0.088 0.000 0.960 477 K CB -0.267 32.091 32.500 -0.236 0.000 0.761 477 K HN 0.144 nan 8.250 nan 0.000 0.448 478 L N 2.334 123.573 121.223 0.026 0.000 2.089 478 L HA -0.283 4.056 4.340 -0.001 0.000 0.213 478 L C 2.452 179.457 176.870 0.224 0.000 1.079 478 L CA 1.867 56.800 54.840 0.155 0.000 0.758 478 L CB -0.508 41.620 42.059 0.116 0.000 0.891 478 L HN 0.189 nan 8.230 nan 0.000 0.433 479 Q N -0.664 119.197 119.800 0.101 0.000 2.016 479 Q HA -0.243 4.096 4.340 -0.001 0.000 0.200 479 Q C 2.329 178.383 176.000 0.090 0.000 0.978 479 Q CA 2.096 57.928 55.803 0.049 0.000 0.833 479 Q CB -0.447 28.280 28.738 -0.018 0.000 0.895 479 Q HN 0.655 nan 8.270 nan 0.000 0.427 480 Q N -1.025 118.822 119.800 0.079 0.000 2.124 480 Q HA -0.171 4.168 4.340 -0.001 0.000 0.202 480 Q C 1.970 178.126 176.000 0.261 0.000 0.977 480 Q CA 1.396 57.257 55.803 0.096 0.000 0.850 480 Q CB -0.306 28.460 28.738 0.048 0.000 0.901 480 Q HN 0.538 nan 8.270 nan 0.000 0.429 481 F N -0.133 119.894 119.950 0.129 0.000 2.065 481 F HA -0.328 4.199 4.527 -0.001 0.000 0.298 481 F C 1.992 177.938 175.800 0.243 0.000 1.112 481 F CA 1.324 59.463 58.000 0.233 0.000 1.212 481 F CB -0.209 38.932 39.000 0.236 0.000 0.975 481 F HN 0.208 nan 8.300 nan 0.000 0.476 482 F N 1.843 121.772 119.950 -0.035 0.000 2.069 482 F HA -0.277 4.249 4.527 -0.001 0.000 0.298 482 F C 2.233 177.857 175.800 -0.295 0.000 1.113 482 F CA 2.030 59.733 58.000 -0.496 0.000 1.214 482 F CB -0.967 37.604 39.000 -0.715 0.000 0.978 482 F HN -0.056 nan 8.300 nan 0.000 0.474 483 N N -0.594 118.252 118.700 0.244 0.000 2.348 483 N HA -0.231 4.508 4.740 -0.001 0.000 0.185 483 N C 1.695 177.264 175.510 0.098 0.000 1.019 483 N CA 1.428 54.580 53.050 0.170 0.000 0.880 483 N CB -0.695 37.840 38.487 0.079 0.000 0.965 483 N HN 0.466 nan 8.380 nan 0.000 0.437 484 H N 0.570 119.633 119.070 -0.011 0.000 2.317 484 H HA -0.044 4.511 4.556 -0.001 0.000 0.304 484 H C 2.158 177.464 175.328 -0.037 0.000 1.067 484 H CA 1.604 57.660 56.048 0.014 0.000 1.352 484 H CB -0.449 29.393 29.762 0.133 0.000 1.398 484 H HN 0.218 nan 8.280 nan 0.000 0.510 485 H N 1.362 120.179 119.070 -0.422 0.000 2.270 485 H HA -0.096 4.460 4.556 -0.001 0.000 0.299 485 H C 1.527 176.655 175.328 -0.333 0.000 1.077 485 H CA 1.353 57.130 56.048 -0.452 0.000 1.294 485 H CB -0.963 28.533 29.762 -0.442 0.000 1.371 485 H HN 0.415 nan 8.280 nan 0.000 0.491 510 S N -0.710 114.937 115.700 -0.088 0.000 2.559 510 S HA -0.213 4.256 4.470 -0.001 0.000 0.250 510 S C 1.315 175.905 174.600 -0.017 0.000 0.977 510 S CA 1.392 59.533 58.200 -0.098 0.000 0.958 510 S CB -0.493 62.565 63.200 -0.235 0.000 0.751 510 S HN 0.412 nan 8.310 nan 0.000 0.534 511 Q N 0.605 120.401 119.800 -0.007 0.000 2.030 511 Q HA -0.139 4.201 4.340 -0.001 0.000 0.204 511 Q C 2.616 178.642 176.000 0.043 0.000 0.986 511 Q CA 1.630 57.443 55.803 0.017 0.000 0.843 511 Q CB -0.765 27.979 28.738 0.010 0.000 0.904 511 Q HN 0.721 nan 8.270 nan 0.000 0.420 512 A N 0.542 123.387 122.820 0.040 0.000 1.903 512 A HA -0.229 4.090 4.320 -0.001 0.000 0.219 512 A C 2.337 179.960 177.584 0.065 0.000 1.191 512 A CA 2.344 54.411 52.037 0.050 0.000 0.638 512 A CB -1.045 17.986 19.000 0.051 0.000 0.823 512 A HN 0.405 nan 8.150 nan 0.000 0.451 513 T N -0.342 114.264 114.554 0.087 0.000 2.821 513 T HA -0.024 4.325 4.350 -0.001 0.000 0.267 513 T C 1.756 176.559 174.700 0.171 0.000 1.046 513 T CA 1.428 63.606 62.100 0.130 0.000 1.139 513 T CB -0.311 68.669 68.868 0.187 0.000 0.871 513 T HN 0.409 nan 8.240 nan 0.000 0.454 514 I N 0.885 121.553 120.570 0.164 0.000 2.406 514 I HA -0.105 4.064 4.170 -0.001 0.000 0.249 514 I C 2.090 178.296 176.117 0.148 0.000 1.122 514 I CA 0.955 62.380 61.300 0.208 0.000 1.431 514 I CB -0.135 37.969 38.000 0.174 0.000 1.087 514 I HN 0.085 nan 8.210 nan 0.000 0.424 515 D N 0.744 121.198 120.400 0.091 0.000 2.097 515 D HA -0.199 4.440 4.640 -0.001 0.000 0.195 515 D C 2.150 178.471 176.300 0.035 0.000 0.989 515 D CA 1.092 55.130 54.000 0.064 0.000 0.827 515 D CB -0.433 40.398 40.800 0.052 0.000 0.966 515 D HN 0.229 nan 8.370 nan 0.000 0.456 516 L N 0.446 121.669 121.223 0.001 0.000 2.043 516 L HA -0.207 4.132 4.340 -0.001 0.000 0.212 516 L C 2.119 178.915 176.870 -0.124 0.000 1.075 516 L CA 1.271 56.038 54.840 -0.122 0.000 0.752 516 L CB -0.093 41.868 42.059 -0.163 0.000 0.891 516 L HN 0.042 nan 8.230 nan 0.000 0.432 517 I N -0.296 120.248 120.570 -0.043 0.000 2.333 517 I HA -0.193 3.977 4.170 -0.001 0.000 0.246 517 I C 1.809 177.839 176.117 -0.144 0.000 1.106 517 I CA 1.352 62.590 61.300 -0.102 0.000 1.411 517 I CB -0.342 37.564 38.000 -0.156 0.000 1.082 517 I HN 0.423 nan 8.210 nan 0.000 0.420 518 D N 0.389 120.744 120.400 -0.074 0.000 2.431 518 D HA 0.060 4.700 4.640 -0.001 0.000 0.227 518 D C 1.417 177.736 176.300 0.031 0.000 1.030 518 D CA 0.061 54.044 54.000 -0.028 0.000 0.897 518 D CB -0.857 39.988 40.800 0.075 0.000 1.058 518 D HN 0.085 nan 8.370 nan 0.000 0.500 519 G N 0.919 109.747 108.800 0.048 0.000 2.227 519 G HA2 -0.213 3.746 3.960 -0.001 0.000 0.250 519 G HA3 -0.213 3.746 3.960 -0.001 0.000 0.250 519 G C 0.750 175.687 174.900 0.062 0.000 0.910 519 G CA -0.122 45.013 45.100 0.058 0.000 0.922 519 G HN 0.080 nan 8.290 nan 0.000 0.385 520 R N 2.516 123.047 120.500 0.051 0.000 2.087 520 R HA 0.016 4.356 4.340 -0.001 0.000 0.216 520 R C 3.100 179.428 176.300 0.047 0.000 1.114 520 R CA 1.774 57.901 56.100 0.045 0.000 1.002 520 R CB -0.556 29.762 30.300 0.031 0.000 0.903 520 R HN 0.775 nan 8.270 nan 0.000 0.445 521 Q N 1.599 121.424 119.800 0.042 0.000 1.922 521 Q HA 0.025 4.365 4.340 -0.001 0.000 0.201 521 Q C -1.544 174.479 176.000 0.038 0.000 0.979 521 Q CA 0.669 56.491 55.803 0.032 0.000 0.841 521 Q CB -1.977 26.775 28.738 0.024 0.000 0.903 521 Q HN 0.275 nan 8.270 nan 0.000 0.431 522 P HA 0.189 nan 4.420 nan 0.000 0.261 522 P C -2.453 174.905 177.300 0.096 0.000 1.203 522 P CA -0.982 62.147 63.100 0.048 0.000 0.767 522 P CB 0.421 32.154 31.700 0.055 0.000 0.785 523 P HA 0.091 nan 4.420 nan 0.000 0.269 523 P C 0.557 178.026 177.300 0.282 0.000 1.211 523 P CA 0.419 63.617 63.100 0.163 0.000 0.781 523 P CB 0.586 32.401 31.700 0.192 0.000 0.877 524 G N 0.272 109.222 108.800 0.249 0.000 2.788 524 G HA2 0.432 4.392 3.960 -0.001 0.000 0.293 524 G HA3 0.432 4.392 3.960 -0.001 0.000 0.293 524 G C 0.911 175.979 174.900 0.280 0.000 1.305 524 G CA -0.864 44.413 45.100 0.295 0.000 1.005 524 G HN 0.360 nan 8.290 nan 0.000 0.496 525 I N -0.354 120.319 120.570 0.171 0.000 2.099 525 I HA -0.196 3.973 4.170 -0.001 0.000 0.239 525 I C 2.734 178.907 176.117 0.094 0.000 1.066 525 I CA 1.256 62.627 61.300 0.120 0.000 1.324 525 I CB -0.200 37.833 38.000 0.055 0.000 1.037 525 I HN 0.332 nan 8.210 nan 0.000 0.401 526 L N 0.407 121.667 121.223 0.062 0.000 2.079 526 L HA -0.219 4.120 4.340 -0.001 0.000 0.210 526 L C 2.752 179.642 176.870 0.033 0.000 1.081 526 L CA 1.477 56.348 54.840 0.051 0.000 0.752 526 L CB -0.607 41.456 42.059 0.006 0.000 0.896 526 L HN 0.259 nan 8.230 nan 0.000 0.433 527 A N -0.245 122.597 122.820 0.036 0.000 1.897 527 A HA -0.091 4.228 4.320 -0.001 0.000 0.215 527 A C 2.187 179.769 177.584 -0.004 0.000 1.181 527 A CA 1.139 53.189 52.037 0.022 0.000 0.620 527 A CB -0.613 18.412 19.000 0.041 0.000 0.821 527 A HN 0.345 nan 8.150 nan 0.000 0.443 528 L N -0.625 120.588 121.223 -0.016 0.000 2.201 528 L HA -0.123 4.217 4.340 -0.001 0.000 0.212 528 L C 2.437 179.264 176.870 -0.070 0.000 1.105 528 L CA 0.640 55.422 54.840 -0.096 0.000 0.775 528 L CB -0.511 41.417 42.059 -0.219 0.000 0.913 528 L HN 0.449 nan 8.230 nan 0.000 0.440 529 L N -0.111 121.097 121.223 -0.026 0.000 2.046 529 L HA -0.211 4.128 4.340 -0.001 0.000 0.208 529 L C 1.998 178.838 176.870 -0.049 0.000 1.077 529 L CA 1.903 56.727 54.840 -0.027 0.000 0.747 529 L CB -0.742 41.314 42.059 -0.006 0.000 0.896 529 L HN 0.192 nan 8.230 nan 0.000 0.432 530 D N -0.260 120.120 120.400 -0.033 0.000 2.077 530 D HA -0.177 4.462 4.640 -0.001 0.000 0.196 530 D C 1.991 178.277 176.300 -0.022 0.000 0.986 530 D CA 1.437 55.418 54.000 -0.032 0.000 0.829 530 D CB -0.149 40.638 40.800 -0.022 0.000 0.983 530 D HN 0.459 nan 8.370 nan 0.000 0.453 531 E N 0.310 120.502 120.200 -0.013 0.000 2.063 531 E HA -0.318 4.032 4.350 -0.001 0.000 0.221 531 E C 2.045 178.696 176.600 0.085 0.000 1.052 531 E CA 1.745 58.160 56.400 0.024 0.000 0.891 531 E CB -0.149 29.562 29.700 0.017 0.000 0.792 531 E HN 0.054 nan 8.360 nan 0.000 0.482 532 Q N 0.415 120.234 119.800 0.031 0.000 2.182 532 Q HA -0.227 4.112 4.340 -0.001 0.000 0.213 532 Q C 2.095 178.084 176.000 -0.019 0.000 1.000 532 Q CA 2.451 58.236 55.803 -0.030 0.000 0.889 532 Q CB -0.317 28.364 28.738 -0.095 0.000 0.932 532 Q HN 0.143 nan 8.270 nan 0.000 0.415 533 S N -0.376 115.319 115.700 -0.009 0.000 2.442 533 S HA -0.171 4.298 4.470 -0.001 0.000 0.236 533 S C 1.937 176.576 174.600 0.064 0.000 1.007 533 S CA 0.906 59.105 58.200 -0.002 0.000 0.965 533 S CB -0.962 62.220 63.200 -0.030 0.000 0.773 533 S HN 0.534 nan 8.310 nan 0.000 0.504 534 V N 1.021 121.004 119.914 0.115 0.000 2.243 534 V HA -0.224 3.895 4.120 -0.001 0.000 0.258 534 V C 0.552 176.861 176.094 0.360 0.000 1.073 534 V CA 1.624 64.052 62.300 0.214 0.000 1.069 534 V CB -1.259 30.584 31.823 0.033 0.000 0.681 534 V HN 0.512 nan 8.190 nan 0.000 0.457 535 F N -2.642 117.303 119.950 -0.007 0.000 2.561 535 F HA 0.844 5.370 4.527 -0.001 0.000 0.313 535 F C -2.835 172.965 175.800 -0.000 0.000 1.126 535 F CA -3.793 54.211 58.000 0.006 0.000 0.918 535 F CB 0.455 39.457 39.000 0.004 0.000 1.199 535 F HN -0.100 nan 8.300 nan 0.000 0.444 536 P HA 0.030 nan 4.420 nan 0.000 0.256 536 P C 0.758 178.006 177.300 -0.087 0.000 1.335 536 P CA 0.637 63.709 63.100 -0.047 0.000 0.808 536 P CB -0.048 31.655 31.700 0.005 0.000 1.305 537 N N -0.075 118.558 118.700 -0.113 0.000 2.459 537 N HA -0.042 4.697 4.740 -0.001 0.000 0.181 537 N C 0.584 175.857 175.510 -0.394 0.000 1.046 537 N CA -0.014 52.955 53.050 -0.135 0.000 0.904 537 N CB 0.198 38.797 38.487 0.187 0.000 0.964 537 N HN 0.066 nan 8.380 nan 0.000 0.444 538 A N 0.070 122.506 122.820 -0.639 0.000 2.246 538 A HA 0.539 4.858 4.320 -0.001 0.000 0.291 538 A C 0.046 177.466 177.584 -0.274 0.000 1.103 538 A CA -0.027 51.683 52.037 -0.545 0.000 0.844 538 A CB 0.742 19.361 19.000 -0.636 0.000 1.136 538 A HN 0.335 nan 8.150 nan 0.000 0.500 539 T N -2.658 111.768 114.554 -0.213 0.000 2.840 539 T HA 0.388 4.737 4.350 -0.001 0.000 0.317 539 T C -0.371 174.258 174.700 -0.118 0.000 1.401 539 T CA -0.441 61.578 62.100 -0.136 0.000 1.028 539 T CB 1.063 69.862 68.868 -0.115 0.000 1.317 539 T HN 0.424 nan 8.240 nan 0.000 0.495 540 D N 1.090 121.436 120.400 -0.089 0.000 2.133 540 D HA -0.145 4.494 4.640 -0.001 0.000 0.195 540 D C 1.631 177.869 176.300 -0.105 0.000 0.997 540 D CA 1.556 55.503 54.000 -0.089 0.000 0.840 540 D CB -0.279 40.478 40.800 -0.071 0.000 0.947 540 D HN 0.589 nan 8.370 nan 0.000 0.452 541 N N -0.206 118.440 118.700 -0.090 0.000 2.084 541 N HA -0.129 4.610 4.740 -0.001 0.000 0.190 541 N C 1.759 177.213 175.510 -0.093 0.000 1.030 541 N CA 2.240 55.240 53.050 -0.082 0.000 0.849 541 N CB -0.150 38.301 38.487 -0.059 0.000 1.012 541 N HN 0.251 nan 8.380 nan 0.000 0.423 542 T N -0.760 113.728 114.554 -0.110 0.000 2.803 542 T HA -0.156 4.193 4.350 -0.001 0.000 0.269 542 T C 1.784 176.398 174.700 -0.143 0.000 1.052 542 T CA 0.725 62.750 62.100 -0.126 0.000 1.136 542 T CB -0.412 68.356 68.868 -0.166 0.000 0.864 542 T HN 0.062 nan 8.240 nan 0.000 0.467 543 L N 0.985 122.119 121.223 -0.149 0.000 1.948 543 L HA 0.117 4.457 4.340 -0.001 0.000 0.212 543 L C 2.322 179.069 176.870 -0.205 0.000 1.074 543 L CA 1.347 56.088 54.840 -0.165 0.000 0.753 543 L CB -1.381 40.595 42.059 -0.137 0.000 0.888 543 L HN 0.187 nan 8.230 nan 0.000 0.432 544 I N 0.062 120.505 120.570 -0.213 0.000 2.194 544 I HA -0.319 3.850 4.170 -0.001 0.000 0.246 544 I C 2.373 178.300 176.117 -0.318 0.000 1.093 544 I CA 2.162 63.276 61.300 -0.309 0.000 1.355 544 I CB -1.259 36.601 38.000 -0.233 0.000 1.046 544 I HN 0.442 nan 8.210 nan 0.000 0.413 545 T N 0.274 114.738 114.554 -0.150 0.000 2.685 545 T HA -0.288 4.061 4.350 -0.001 0.000 0.268 545 T C 1.967 176.607 174.700 -0.100 0.000 1.034 545 T CA 1.985 64.050 62.100 -0.057 0.000 1.149 545 T CB -0.278 68.571 68.868 -0.032 0.000 0.860 545 T HN 0.224 nan 8.240 nan 0.000 0.449 546 K N 0.868 121.156 120.400 -0.186 0.000 2.009 546 K HA 0.005 4.324 4.320 -0.001 0.000 0.210 546 K C 2.164 178.546 176.600 -0.364 0.000 1.049 546 K CA 1.121 57.233 56.287 -0.292 0.000 0.929 546 K CB -0.586 31.714 32.500 -0.333 0.000 0.714 546 K HN 0.288 nan 8.250 nan 0.000 0.440 547 L N -0.504 120.531 121.223 -0.314 0.000 1.970 547 L HA -0.272 4.067 4.340 -0.001 0.000 0.212 547 L C 2.338 179.123 176.870 -0.143 0.000 1.071 547 L CA 2.026 56.709 54.840 -0.262 0.000 0.751 547 L CB -0.753 41.142 42.059 -0.272 0.000 0.889 547 L HN 0.424 nan 8.230 nan 0.000 0.432 548 H N -1.706 117.391 119.070 0.045 0.000 2.422 548 H HA -0.168 4.387 4.556 -0.001 0.000 0.298 548 H C 2.563 177.908 175.328 0.028 0.000 1.098 548 H CA 1.182 57.318 56.048 0.147 0.000 1.315 548 H CB 0.052 29.915 29.762 0.168 0.000 1.382 548 H HN 0.245 nan 8.280 nan 0.000 0.523 549 S N -0.559 115.184 115.700 0.071 0.000 2.423 549 S HA -0.146 4.323 4.470 -0.001 0.000 0.231 549 S C 1.726 176.312 174.600 -0.023 0.000 1.014 549 S CA 0.888 59.111 58.200 0.039 0.000 0.965 549 S CB -0.143 63.085 63.200 0.046 0.000 0.785 549 S HN 0.560 nan 8.310 nan 0.000 0.495 550 H N -1.898 116.890 119.070 -0.470 0.000 2.497 550 H HA 0.138 4.693 4.556 -0.001 0.000 0.282 550 H C 0.523 175.232 175.328 -1.031 0.000 1.003 550 H CA 1.072 56.588 56.048 -0.887 0.000 1.307 550 H CB 0.254 29.172 29.762 -1.406 0.000 1.437 550 H HN 0.523 nan 8.280 nan 0.000 0.544 551 F N -0.983 118.844 119.950 -0.204 0.000 2.871 551 F HA 0.129 4.656 4.527 -0.001 0.000 0.344 551 F C 0.987 176.820 175.800 0.056 0.000 1.078 551 F CA -0.354 57.480 58.000 -0.276 0.000 1.149 551 F CB 0.698 39.117 39.000 -0.968 0.000 1.087 551 F HN -0.201 nan 8.300 nan 0.000 0.557 552 S N 2.174 118.042 115.700 0.280 0.000 2.507 552 S HA 0.093 4.562 4.470 -0.001 0.000 0.299 552 S C 0.840 175.552 174.600 0.186 0.000 1.214 552 S CA 0.291 58.677 58.200 0.310 0.000 1.137 552 S CB -0.272 63.059 63.200 0.217 0.000 1.009 552 S HN 0.454 nan 8.310 nan 0.000 0.512 553 K N 1.961 122.482 120.400 0.202 0.000 3.341 553 K HA -0.212 4.107 4.320 -0.001 0.000 0.305 553 K C 0.840 177.513 176.600 0.121 0.000 1.270 553 K CA 1.367 57.736 56.287 0.136 0.000 0.897 553 K CB -0.804 31.750 32.500 0.090 0.000 1.264 553 K HN 0.562 nan 8.250 nan 0.000 0.468 554 K N 0.382 120.875 120.400 0.155 0.000 2.121 554 K HA 0.197 4.516 4.320 -0.001 0.000 0.203 554 K C 0.296 176.990 176.600 0.156 0.000 1.041 554 K CA 0.647 57.010 56.287 0.125 0.000 0.969 554 K CB 0.274 32.836 32.500 0.103 0.000 0.799 554 K HN 0.158 nan 8.250 nan 0.000 0.456 555 N N 0.174 119.013 118.700 0.231 0.000 2.425 555 N HA 0.159 4.899 4.740 -0.001 0.000 0.268 555 N C -0.180 175.446 175.510 0.193 0.000 0.991 555 N CA -0.020 53.156 53.050 0.210 0.000 0.931 555 N CB 1.783 40.406 38.487 0.227 0.000 1.130 555 N HN 0.172 nan 8.380 nan 0.000 0.493 556 A N 2.741 125.642 122.820 0.133 0.000 2.125 556 A HA -0.097 4.222 4.320 -0.001 0.000 0.219 556 A C 1.719 179.368 177.584 0.109 0.000 1.156 556 A CA 1.379 53.481 52.037 0.108 0.000 0.671 556 A CB 0.066 19.114 19.000 0.081 0.000 0.794 556 A HN 0.440 nan 8.150 nan 0.000 0.459 557 K N -1.984 118.489 120.400 0.123 0.000 2.374 557 K HA 0.237 4.557 4.320 -0.001 0.000 0.196 557 K C -0.688 176.006 176.600 0.156 0.000 1.023 557 K CA -0.024 56.328 56.287 0.107 0.000 1.103 557 K CB -0.222 32.327 32.500 0.081 0.000 0.848 557 K HN 0.573 nan 8.250 nan 0.000 0.528 558 Y N 0.354 120.689 120.300 0.059 0.000 2.425 558 Y HA 0.383 4.932 4.550 -0.001 0.000 0.344 558 Y C -1.227 174.763 175.900 0.149 0.000 0.969 558 Y CA -1.145 57.020 58.100 0.110 0.000 1.052 558 Y CB 1.586 40.107 38.460 0.101 0.000 1.215 558 Y HN -0.040 nan 8.280 nan 0.000 0.451 559 E N 5.065 125.096 120.200 -0.282 0.000 2.241 559 E HA 0.209 4.558 4.350 -0.001 0.000 0.263 559 E C -1.582 174.855 176.600 -0.272 0.000 0.882 559 E CA -0.781 55.527 56.400 -0.153 0.000 0.769 559 E CB 1.318 30.965 29.700 -0.089 0.000 1.185 559 E HN 0.772 nan 8.360 nan 0.000 0.415 560 E N 5.372 125.522 120.200 -0.083 0.000 2.299 560 E HA 0.147 4.497 4.350 -0.001 0.000 0.272 560 E C -2.015 174.507 176.600 -0.130 0.000 1.043 560 E CA -2.111 54.194 56.400 -0.157 0.000 0.895 560 E CB 0.584 30.135 29.700 -0.249 0.000 1.011 560 E HN 0.272 nan 8.360 nan 0.000 0.432 561 P HA -0.077 nan 4.420 nan 0.000 0.258 561 P C 0.129 177.411 177.300 -0.030 0.000 1.187 561 P CA -0.086 62.987 63.100 -0.044 0.000 0.767 561 P CB 0.595 32.284 31.700 -0.018 0.000 0.770 562 R N 2.394 122.901 120.500 0.012 0.000 2.165 562 R HA -0.121 4.218 4.340 -0.001 0.000 0.254 562 R C 0.513 176.939 176.300 0.210 0.000 1.153 562 R CA 1.458 57.601 56.100 0.072 0.000 0.971 562 R CB -0.867 29.470 30.300 0.062 0.000 0.878 562 R HN 0.555 nan 8.270 nan 0.000 0.449 563 F N -0.701 119.227 119.950 -0.037 0.000 3.482 563 F HA 0.249 4.775 4.527 -0.001 0.000 0.383 563 F C -1.313 174.476 175.800 -0.018 0.000 1.242 563 F CA -0.546 57.439 58.000 -0.026 0.000 1.339 563 F CB 1.093 40.081 39.000 -0.021 0.000 1.855 563 F HN -0.134 nan 8.300 nan 0.000 0.731 564 S N 4.713 120.208 115.700 -0.342 0.000 2.590 564 S HA 0.339 4.808 4.470 -0.001 0.000 0.286 564 S C 0.024 174.469 174.600 -0.258 0.000 1.147 564 S CA -0.675 57.368 58.200 -0.262 0.000 0.963 564 S CB 1.471 64.610 63.200 -0.101 0.000 1.124 564 S HN 0.455 nan 8.310 nan 0.000 0.458 565 K N 2.339 122.582 120.400 -0.262 0.000 2.025 565 K HA 0.071 4.391 4.320 -0.001 0.000 0.207 565 K C 1.202 177.782 176.600 -0.033 0.000 1.049 565 K CA 2.073 58.269 56.287 -0.152 0.000 0.933 565 K CB -0.357 32.061 32.500 -0.137 0.000 0.714 565 K HN 0.823 nan 8.250 nan 0.000 0.438 566 T N -0.994 113.532 114.554 -0.047 0.000 3.375 566 T HA 0.545 4.894 4.350 -0.001 0.000 0.363 566 T C -0.703 173.977 174.700 -0.033 0.000 1.837 566 T CA -0.720 61.357 62.100 -0.038 0.000 1.445 566 T CB 0.253 69.081 68.868 -0.067 0.000 1.089 566 T HN 0.041 nan 8.240 nan 0.000 0.722 567 E N 1.851 122.073 120.200 0.037 0.000 2.451 567 E HA 0.508 4.857 4.350 -0.001 0.000 0.295 567 E C -1.443 175.237 176.600 0.133 0.000 0.966 567 E CA -0.949 55.452 56.400 0.001 0.000 0.808 567 E CB 1.551 31.218 29.700 -0.055 0.000 1.242 567 E HN 0.606 nan 8.360 nan 0.000 0.412 568 F N 0.640 120.568 119.950 -0.036 0.000 2.593 568 F HA 0.910 5.436 4.527 -0.001 0.000 0.320 568 F C 0.148 175.896 175.800 -0.086 0.000 1.060 568 F CA -1.087 56.892 58.000 -0.035 0.000 0.940 568 F CB 1.489 40.466 39.000 -0.039 0.000 1.268 568 F HN 0.388 nan 8.300 nan 0.000 0.475 569 G N 1.025 109.654 108.800 -0.285 0.000 2.368 569 G HA2 0.559 4.519 3.960 -0.001 0.000 0.320 569 G HA3 0.559 4.519 3.960 -0.001 0.000 0.320 569 G C -1.687 173.125 174.900 -0.147 0.000 1.158 569 G CA -0.867 44.066 45.100 -0.279 0.000 0.912 569 G HN 0.666 nan 8.290 nan 0.000 0.456 570 V N 2.124 122.009 119.914 -0.049 0.000 2.378 570 V HA 0.310 4.429 4.120 -0.001 0.000 0.288 570 V C 0.292 176.260 176.094 -0.209 0.000 1.016 570 V CA -0.776 61.524 62.300 0.000 0.000 0.840 570 V CB 1.337 33.253 31.823 0.155 0.000 0.994 570 V HN 0.715 nan 8.190 nan 0.000 0.431 571 T N 5.391 119.863 114.554 -0.136 0.000 2.855 571 T HA 0.271 4.620 4.350 -0.001 0.000 0.290 571 T C 0.244 174.915 174.700 -0.048 0.000 0.941 571 T CA 0.018 62.078 62.100 -0.065 0.000 1.030 571 T CB -0.480 68.391 68.868 0.005 0.000 0.935 571 T HN 0.569 nan 8.240 nan 0.000 0.564 572 H N 1.269 120.459 119.070 0.199 0.000 2.423 572 H HA 0.186 4.741 4.556 -0.001 0.000 0.309 572 H C 0.709 176.125 175.328 0.148 0.000 1.584 572 H CA -0.922 55.247 56.048 0.203 0.000 1.504 572 H CB 0.323 30.270 29.762 0.309 0.000 1.740 572 H HN 0.395 nan 8.280 nan 0.000 0.744 573 Y N 0.373 120.699 120.300 0.044 0.000 2.314 573 Y HA 0.113 4.663 4.550 -0.001 0.000 0.294 573 Y C 1.933 177.691 175.900 -0.236 0.000 1.119 573 Y CA 1.075 59.112 58.100 -0.104 0.000 1.179 573 Y CB -0.355 38.025 38.460 -0.133 0.000 1.025 573 Y HN 0.580 nan 8.280 nan 0.000 0.541 574 A N 0.209 122.747 122.820 -0.470 0.000 2.412 574 A HA 0.483 4.802 4.320 -0.001 0.000 0.253 574 A C 1.187 178.537 177.584 -0.391 0.000 1.334 574 A CA 0.591 52.193 52.037 -0.725 0.000 0.929 574 A CB -1.564 16.469 19.000 -1.612 0.000 0.983 574 A HN 0.602 nan 8.150 nan 0.000 0.508 575 G N -0.422 108.287 108.800 -0.152 0.000 2.888 575 G HA2 -0.152 3.807 3.960 -0.001 0.000 0.441 575 G HA3 -0.152 3.807 3.960 -0.001 0.000 0.441 575 G C -0.419 174.598 174.900 0.196 0.000 1.461 575 G CA -0.341 44.767 45.100 0.015 0.000 0.897 575 G HN 0.799 nan 8.290 nan 0.000 0.547 576 Q N -1.497 118.364 119.800 0.101 0.000 2.310 576 Q HA 0.405 4.744 4.340 -0.001 0.000 0.315 576 Q C 0.387 176.416 176.000 0.049 0.000 1.081 576 Q CA 0.666 56.498 55.803 0.049 0.000 0.981 576 Q CB 0.661 29.395 28.738 -0.006 0.000 1.184 576 Q HN 1.041 nan 8.270 nan 0.000 0.389 577 V N 2.601 122.480 119.914 -0.059 0.000 2.851 577 V HA 0.386 4.506 4.120 -0.001 0.000 0.307 577 V C -0.878 174.845 176.094 -0.618 0.000 1.129 577 V CA -0.876 61.260 62.300 -0.274 0.000 0.932 577 V CB 2.251 33.973 31.823 -0.169 0.000 1.024 577 V HN 0.739 nan 8.190 nan 0.000 0.426 578 M N 4.206 123.394 119.600 -0.688 0.000 2.072 578 M HA 0.533 5.012 4.480 -0.001 0.000 0.331 578 M C -1.307 174.516 176.300 -0.794 0.000 1.004 578 M CA -0.359 54.568 55.300 -0.621 0.000 0.952 578 M CB 1.075 33.479 32.600 -0.326 0.000 1.511 578 M HN 0.641 nan 8.290 nan 0.000 0.422 579 Y N 1.161 121.135 120.300 -0.544 0.000 2.334 579 Y HA 0.410 4.960 4.550 -0.001 0.000 0.328 579 Y C 0.159 175.808 175.900 -0.419 0.000 1.130 579 Y CA -0.802 57.026 58.100 -0.453 0.000 1.163 579 Y CB 1.000 39.258 38.460 -0.337 0.000 1.207 579 Y HN 0.490 nan 8.280 nan 0.000 0.471 580 E N 2.180 122.342 120.200 -0.064 0.000 2.129 580 E HA 0.284 4.633 4.350 -0.001 0.000 0.268 580 E C -0.307 176.127 176.600 -0.277 0.000 0.900 580 E CA -0.240 56.091 56.400 -0.114 0.000 0.755 580 E CB 1.391 31.075 29.700 -0.028 0.000 1.117 580 E HN 0.592 nan 8.360 nan 0.000 0.410 581 I N 1.911 122.248 120.570 -0.388 0.000 3.428 581 I HA -0.080 4.090 4.170 -0.001 0.000 0.286 581 I C 0.811 176.749 176.117 -0.298 0.000 1.287 581 I CA 0.519 61.433 61.300 -0.643 0.000 1.396 581 I CB -0.138 37.601 38.000 -0.435 0.000 1.062 581 I HN 0.557 nan 8.210 nan 0.000 0.471 582 Q N 1.301 121.019 119.800 -0.137 0.000 2.310 582 Q HA -0.162 4.177 4.340 -0.001 0.000 0.315 582 Q C 0.088 176.126 176.000 0.064 0.000 1.081 582 Q CA 0.880 56.660 55.803 -0.039 0.000 0.981 582 Q CB 0.262 28.983 28.738 -0.028 0.000 1.184 582 Q HN 0.370 nan 8.270 nan 0.000 0.389 583 D N 2.579 123.018 120.400 0.065 0.000 2.983 583 D HA -0.247 4.392 4.640 -0.001 0.000 0.225 583 D C -0.288 176.145 176.300 0.222 0.000 1.174 583 D CA 0.807 54.873 54.000 0.111 0.000 0.831 583 D CB -1.055 39.805 40.800 0.100 0.000 1.104 583 D HN 0.692 nan 8.370 nan 0.000 0.421 584 W N 0.296 121.547 121.300 -0.082 0.000 2.465 584 W HA 0.037 4.696 4.660 -0.001 0.000 0.268 584 W C 2.100 178.458 176.519 -0.268 0.000 1.242 584 W CA 0.361 57.591 57.345 -0.192 0.000 1.248 584 W CB -0.424 28.923 29.460 -0.189 0.000 1.118 584 W HN 0.138 nan 8.180 nan 0.000 0.587 585 L N 0.171 121.415 121.223 0.035 0.000 1.982 585 L HA -0.150 4.190 4.340 -0.001 0.000 0.206 585 L C 2.387 179.237 176.870 -0.033 0.000 1.078 585 L CA 1.764 56.583 54.840 -0.035 0.000 0.749 585 L CB -1.603 40.442 42.059 -0.024 0.000 0.894 585 L HN -0.157 nan 8.230 nan 0.000 0.436 586 E N -0.014 120.186 120.200 0.002 0.000 2.273 586 E HA -0.238 4.111 4.350 -0.001 0.000 0.198 586 E C 2.113 178.723 176.600 0.016 0.000 1.002 586 E CA 0.940 57.349 56.400 0.016 0.000 0.828 586 E CB -0.116 29.600 29.700 0.026 0.000 0.747 586 E HN 0.473 nan 8.360 nan 0.000 0.491 587 K N 0.219 120.616 120.400 -0.006 0.000 2.044 587 K HA -0.056 4.263 4.320 -0.001 0.000 0.204 587 K C 1.955 178.535 176.600 -0.034 0.000 1.049 587 K CA 0.811 57.097 56.287 -0.001 0.000 0.945 587 K CB -0.069 32.421 32.500 -0.017 0.000 0.724 587 K HN -0.039 nan 8.250 nan 0.000 0.440 588 N N 1.617 120.210 118.700 -0.179 0.000 2.270 588 N HA -0.131 4.608 4.740 -0.001 0.000 0.181 588 N C 1.490 176.984 175.510 -0.027 0.000 1.016 588 N CA 1.248 54.192 53.050 -0.176 0.000 0.870 588 N CB 0.203 38.494 38.487 -0.327 0.000 0.979 588 N HN 0.211 nan 8.380 nan 0.000 0.431 589 K N -1.429 118.967 120.400 -0.006 0.000 2.202 589 K HA 0.058 4.377 4.320 -0.001 0.000 0.201 589 K C -0.028 176.609 176.600 0.062 0.000 1.051 589 K CA 0.862 57.175 56.287 0.042 0.000 0.977 589 K CB 0.253 32.784 32.500 0.052 0.000 0.792 589 K HN -0.156 nan 8.250 nan 0.000 0.469 590 D N 1.827 122.259 120.400 0.053 0.000 2.775 590 D HA -0.060 4.580 4.640 -0.001 0.000 0.235 590 D C -2.021 174.317 176.300 0.064 0.000 1.120 590 D CA 0.220 54.258 54.000 0.062 0.000 0.708 590 D CB -0.742 40.099 40.800 0.068 0.000 1.084 590 D HN 0.340 nan 8.370 nan 0.000 0.434 591 P HA 0.455 nan 4.420 nan 0.000 0.285 591 P C -0.429 176.912 177.300 0.068 0.000 1.282 591 P CA -0.593 62.544 63.100 0.062 0.000 0.778 591 P CB 0.458 32.192 31.700 0.056 0.000 1.222 592 L N -0.667 120.598 121.223 0.070 0.000 2.830 592 L HA 0.231 4.571 4.340 -0.001 0.000 0.259 592 L C -1.033 175.885 176.870 0.081 0.000 0.943 592 L CA -0.875 54.016 54.840 0.086 0.000 0.997 592 L CB 0.906 43.026 42.059 0.101 0.000 1.427 592 L HN 0.197 nan 8.230 nan 0.000 0.456 593 Q N 2.659 122.508 119.800 0.081 0.000 2.398 593 Q HA 0.016 4.355 4.340 -0.001 0.000 0.329 593 Q C 0.839 176.882 176.000 0.072 0.000 1.079 593 Q CA 0.772 56.614 55.803 0.066 0.000 1.041 593 Q CB 0.771 29.547 28.738 0.062 0.000 1.084 593 Q HN 0.578 nan 8.270 nan 0.000 0.386 594 Q N 2.392 122.224 119.800 0.052 0.000 2.291 594 Q HA -0.140 4.199 4.340 -0.001 0.000 0.205 594 Q C 0.698 176.726 176.000 0.047 0.000 0.970 594 Q CA 1.135 56.969 55.803 0.053 0.000 0.876 594 Q CB 0.169 28.924 28.738 0.028 0.000 0.935 594 Q HN 0.667 nan 8.270 nan 0.000 0.455 595 D N 0.209 120.630 120.400 0.035 0.000 2.219 595 D HA -0.065 4.574 4.640 -0.001 0.000 0.205 595 D C 1.815 178.127 176.300 0.021 0.000 0.970 595 D CA 0.479 54.490 54.000 0.019 0.000 0.851 595 D CB 0.068 40.878 40.800 0.017 0.000 0.943 595 D HN 0.147 nan 8.370 nan 0.000 0.488 596 L N 0.098 121.359 121.223 0.063 0.000 2.027 596 L HA -0.117 4.222 4.340 -0.001 0.000 0.206 596 L C 2.392 179.340 176.870 0.131 0.000 1.074 596 L CA 1.166 56.072 54.840 0.112 0.000 0.745 596 L CB -0.299 41.853 42.059 0.156 0.000 0.898 596 L HN 0.110 nan 8.230 nan 0.000 0.433 597 E N 0.139 120.419 120.200 0.134 0.000 2.058 597 E HA -0.245 4.104 4.350 -0.001 0.000 0.194 597 E C 2.382 179.021 176.600 0.065 0.000 0.997 597 E CA 1.108 57.608 56.400 0.167 0.000 0.801 597 E CB -0.044 29.769 29.700 0.189 0.000 0.746 597 E HN 0.389 nan 8.360 nan 0.000 0.450 598 L N 0.300 121.537 121.223 0.025 0.000 2.043 598 L HA -0.283 4.057 4.340 -0.001 0.000 0.212 598 L C 2.830 179.639 176.870 -0.101 0.000 1.075 598 L CA 1.144 55.970 54.840 -0.023 0.000 0.752 598 L CB -0.497 41.544 42.059 -0.029 0.000 0.891 598 L HN 0.423 nan 8.230 nan 0.000 0.432 599 C N -0.709 118.498 119.300 -0.155 0.000 2.419 599 C HA -0.165 4.294 4.460 -0.001 0.000 0.283 599 C C 2.443 177.062 174.990 -0.618 0.000 1.373 599 C CA 0.561 59.367 59.018 -0.352 0.000 1.781 599 C CB -1.053 26.454 27.740 -0.389 0.000 1.886 599 C HN 0.469 nan 8.230 nan 0.000 0.520 600 F N 0.953 120.613 119.950 -0.483 0.000 2.622 600 F HA 0.171 4.697 4.527 -0.001 0.000 0.288 600 F C 2.227 177.722 175.800 -0.507 0.000 1.120 600 F CA 0.401 57.946 58.000 -0.758 0.000 1.423 600 F CB -0.073 37.925 39.000 -1.670 0.000 1.127 600 F HN 0.141 nan 8.300 nan 0.000 0.588 601 K N -0.397 119.931 120.400 -0.121 0.000 2.574 601 K HA -0.090 4.229 4.320 -0.001 0.000 0.193 601 K C 0.184 176.762 176.600 -0.036 0.000 1.035 601 K CA 0.873 57.168 56.287 0.013 0.000 0.982 601 K CB -0.163 32.383 32.500 0.077 0.000 0.795 601 K HN 0.207 nan 8.250 nan 0.000 0.491 602 D N 2.246 122.580 120.400 -0.110 0.000 2.525 602 D HA 0.036 4.675 4.640 -0.001 0.000 0.229 602 D C -0.548 175.680 176.300 -0.120 0.000 1.202 602 D CA 0.047 53.978 54.000 -0.115 0.000 0.828 602 D CB 0.591 41.296 40.800 -0.157 0.000 1.008 602 D HN 0.217 nan 8.370 nan 0.000 0.493 603 S N -1.049 114.601 115.700 -0.085 0.000 2.578 603 S HA 0.260 4.729 4.470 -0.001 0.000 0.283 603 S C 1.055 175.647 174.600 -0.014 0.000 1.195 603 S CA -0.659 57.510 58.200 -0.051 0.000 1.050 603 S CB 1.917 65.107 63.200 -0.018 0.000 1.012 603 S HN -0.094 nan 8.310 nan 0.000 0.511 604 S N 0.622 116.320 115.700 -0.004 0.000 2.805 604 S HA 0.041 4.510 4.470 -0.001 0.000 0.230 604 S C -0.228 174.389 174.600 0.029 0.000 0.968 604 S CA 0.198 58.405 58.200 0.011 0.000 0.976 604 S CB -0.830 62.379 63.200 0.015 0.000 0.787 604 S HN 0.845 nan 8.310 nan 0.000 0.533 605 D N 0.439 120.858 120.400 0.033 0.000 2.469 605 D HA 0.293 4.932 4.640 -0.001 0.000 0.251 605 D C 0.777 177.079 176.300 0.004 0.000 1.173 605 D CA -0.391 53.631 54.000 0.037 0.000 0.882 605 D CB 0.475 41.324 40.800 0.081 0.000 1.129 605 D HN -0.047 nan 8.370 nan 0.000 0.549 606 N N 2.008 120.706 118.700 -0.004 0.000 2.060 606 N HA -0.218 4.521 4.740 -0.001 0.000 0.195 606 N C 1.482 176.945 175.510 -0.079 0.000 1.028 606 N CA 1.277 54.316 53.050 -0.018 0.000 0.861 606 N CB 0.343 38.833 38.487 0.005 0.000 1.029 606 N HN 0.242 nan 8.380 nan 0.000 0.428 607 V N 0.728 120.563 119.914 -0.131 0.000 2.223 607 V HA -0.218 3.901 4.120 -0.001 0.000 0.244 607 V C 2.412 178.318 176.094 -0.313 0.000 1.045 607 V CA 1.661 63.751 62.300 -0.350 0.000 1.000 607 V CB -0.869 30.730 31.823 -0.374 0.000 0.635 607 V HN 0.157 nan 8.190 nan 0.000 0.445 608 V N -0.001 119.838 119.914 -0.125 0.000 2.282 608 V HA -0.322 3.797 4.120 -0.001 0.000 0.249 608 V C 2.541 178.693 176.094 0.096 0.000 1.057 608 V CA 2.720 65.021 62.300 0.001 0.000 1.032 608 V CB -1.532 30.349 31.823 0.096 0.000 0.645 608 V HN 0.608 nan 8.190 nan 0.000 0.447 609 T N -0.812 113.768 114.554 0.044 0.000 2.821 609 T HA -0.201 4.149 4.350 -0.001 0.000 0.267 609 T C 1.977 176.708 174.700 0.052 0.000 1.046 609 T CA 1.774 63.919 62.100 0.075 0.000 1.139 609 T CB -0.222 68.663 68.868 0.028 0.000 0.871 609 T HN 0.397 nan 8.240 nan 0.000 0.454 610 K N 0.776 121.142 120.400 -0.057 0.000 2.032 610 K HA -0.063 4.256 4.320 -0.001 0.000 0.209 610 K C 1.834 178.351 176.600 -0.139 0.000 1.048 610 K CA 1.085 57.309 56.287 -0.106 0.000 0.927 610 K CB -0.566 31.806 32.500 -0.214 0.000 0.712 610 K HN 0.107 nan 8.250 nan 0.000 0.441 611 L N -0.327 120.756 121.223 -0.234 0.000 2.189 611 L HA -0.148 4.191 4.340 -0.001 0.000 0.214 611 L C 1.733 178.348 176.870 -0.425 0.000 1.097 611 L CA 1.663 56.295 54.840 -0.347 0.000 0.764 611 L CB -0.534 41.278 42.059 -0.411 0.000 0.900 611 L HN 0.171 nan 8.230 nan 0.000 0.436 612 F N -0.963 118.925 119.950 -0.103 0.000 2.717 612 F HA 0.095 4.621 4.527 -0.001 0.000 0.295 612 F C 1.389 177.170 175.800 -0.032 0.000 1.117 612 F CA 0.046 58.014 58.000 -0.053 0.000 1.361 612 F CB -0.203 38.786 39.000 -0.019 0.000 1.112 612 F HN 0.291 nan 8.300 nan 0.000 0.594 613 N N -1.514 117.236 118.700 0.083 0.000 2.291 613 N HA 0.006 4.745 4.740 -0.001 0.000 0.244 613 N C -0.720 174.797 175.510 0.011 0.000 1.216 613 N CA -0.148 52.927 53.050 0.042 0.000 0.879 613 N CB -0.290 38.227 38.487 0.050 0.000 1.167 613 N HN 0.008 nan 8.380 nan 0.000 0.515 614 D N 1.631 122.022 120.400 -0.015 0.000 2.380 614 D HA 0.169 4.808 4.640 -0.001 0.000 0.230 614 D C -1.582 174.706 176.300 -0.021 0.000 1.154 614 D CA -1.797 52.197 54.000 -0.010 0.000 0.859 614 D CB 1.812 42.611 40.800 -0.002 0.000 1.045 614 D HN 0.011 nan 8.370 nan 0.000 0.495 615 P HA -0.135 nan 4.420 nan 0.000 0.219 615 P C 0.382 177.673 177.300 -0.016 0.000 1.146 615 P CA 1.071 64.166 63.100 -0.009 0.000 0.808 615 P CB 0.189 31.888 31.700 -0.002 0.000 0.779 616 N N -1.709 116.980 118.700 -0.018 0.000 2.254 616 N HA 0.074 4.813 4.740 -0.001 0.000 0.190 616 N C 1.525 177.015 175.510 -0.033 0.000 1.107 616 N CA 0.522 53.559 53.050 -0.021 0.000 0.869 616 N CB -1.341 37.135 38.487 -0.018 0.000 0.983 616 N HN 0.141 nan 8.380 nan 0.000 0.487 617 I N -0.542 120.002 120.570 -0.043 0.000 2.729 617 I HA 0.565 4.734 4.170 -0.001 0.000 0.256 617 I C 2.025 178.059 176.117 -0.138 0.000 1.115 617 I CA 1.103 62.359 61.300 -0.072 0.000 1.446 617 I CB -1.091 36.883 38.000 -0.044 0.000 1.176 617 I HN 0.336 nan 8.210 nan 0.000 0.446 618 A N -0.444 122.304 122.820 -0.120 0.000 2.348 618 A HA 0.790 5.110 4.320 -0.001 0.000 0.224 618 A C 1.161 178.702 177.584 -0.073 0.000 1.227 618 A CA 1.023 52.968 52.037 -0.155 0.000 0.885 618 A CB -0.783 18.160 19.000 -0.095 0.000 0.933 618 A HN 1.451 nan 8.150 nan 0.000 0.506 619 S N -1.524 114.149 115.700 -0.046 0.000 2.806 619 S HA 0.966 5.435 4.470 -0.001 0.000 0.306 619 S C -0.078 174.519 174.600 -0.005 0.000 1.167 619 S CA 0.022 58.214 58.200 -0.015 0.000 0.847 619 S CB 0.981 64.179 63.200 -0.003 0.000 1.216 619 S HN 1.406 nan 8.310 nan 0.000 0.532 628 I N 1.210 121.875 120.570 0.158 0.000 2.556 628 I HA 0.613 4.783 4.170 -0.001 0.000 0.284 628 I C 0.878 177.043 176.117 0.080 0.000 1.114 628 I CA 0.136 61.485 61.300 0.082 0.000 1.418 628 I CB 0.011 38.052 38.000 0.069 0.000 1.394 628 I HN 0.691 nan 8.210 nan 0.000 0.552 629 T N 2.698 117.283 114.554 0.051 0.000 2.904 629 T HA 0.398 4.748 4.350 -0.001 0.000 0.290 629 T C 1.227 175.985 174.700 0.097 0.000 1.018 629 T CA 0.175 62.310 62.100 0.058 0.000 1.075 629 T CB 1.267 70.150 68.868 0.025 0.000 0.986 629 T HN 0.751 nan 8.240 nan 0.000 0.523 630 V N 2.071 122.060 119.914 0.124 0.000 2.392 630 V HA -0.156 3.963 4.120 -0.001 0.000 0.249 630 V C 2.930 179.170 176.094 0.242 0.000 1.059 630 V CA 2.358 64.769 62.300 0.185 0.000 1.051 630 V CB -1.416 30.547 31.823 0.235 0.000 0.658 630 V HN 1.100 nan 8.190 nan 0.000 0.455 631 A N -0.831 122.145 122.820 0.260 0.000 2.168 631 A HA 0.195 4.514 4.320 -0.001 0.000 0.215 631 A C 2.249 179.934 177.584 0.169 0.000 1.152 631 A CA 1.451 53.655 52.037 0.279 0.000 0.716 631 A CB -0.345 18.820 19.000 0.275 0.000 0.794 631 A HN 0.535 nan 8.150 nan 0.000 0.465 632 A N 0.101 122.996 122.820 0.125 0.000 1.844 632 A HA -0.080 4.239 4.320 -0.001 0.000 0.212 632 A C 2.077 179.711 177.584 0.083 0.000 1.221 632 A CA 1.192 53.276 52.037 0.079 0.000 0.607 632 A CB -0.712 18.318 19.000 0.050 0.000 0.878 632 A HN 0.574 nan 8.150 nan 0.000 0.451 633 Q N -1.236 118.624 119.800 0.101 0.000 2.029 633 Q HA -0.306 4.034 4.340 -0.001 0.000 0.209 633 Q C 2.066 178.138 176.000 0.120 0.000 0.999 633 Q CA 2.138 58.002 55.803 0.102 0.000 0.857 633 Q CB -0.743 28.069 28.738 0.124 0.000 0.926 633 Q HN 0.748 nan 8.270 nan 0.000 0.415 634 Y N 1.982 122.330 120.300 0.080 0.000 2.040 634 Y HA -0.369 4.180 4.550 -0.001 0.000 0.275 634 Y C 2.698 178.675 175.900 0.128 0.000 1.171 634 Y CA 2.203 60.364 58.100 0.102 0.000 1.123 634 Y CB -0.096 38.415 38.460 0.085 0.000 0.963 634 Y HN 0.078 nan 8.280 nan 0.000 0.493 635 K N -0.218 120.177 120.400 -0.009 0.000 2.218 635 K HA -0.254 4.065 4.320 -0.001 0.000 0.205 635 K C 1.459 177.993 176.600 -0.110 0.000 1.046 635 K CA 1.920 58.191 56.287 -0.027 0.000 0.933 635 K CB -0.027 32.523 32.500 0.083 0.000 0.728 635 K HN 0.313 nan 8.250 nan 0.000 0.454 636 E N 1.051 121.200 120.200 -0.085 0.000 2.021 636 E HA -0.141 4.208 4.350 -0.001 0.000 0.191 636 E C 1.823 178.357 176.600 -0.110 0.000 0.971 636 E CA 1.475 57.831 56.400 -0.073 0.000 0.825 636 E CB -0.617 29.068 29.700 -0.026 0.000 0.788 636 E HN 0.514 nan 8.360 nan 0.000 0.460 637 Q N 0.693 120.441 119.800 -0.086 0.000 2.528 637 Q HA -0.160 4.179 4.340 -0.001 0.000 0.217 637 Q C 1.881 177.853 176.000 -0.047 0.000 0.988 637 Q CA 1.250 57.014 55.803 -0.066 0.000 0.900 637 Q CB -0.367 28.347 28.738 -0.040 0.000 0.947 637 Q HN 0.280 nan 8.270 nan 0.000 0.502 638 L N -0.824 120.234 121.223 -0.275 0.000 2.356 638 L HA 0.333 4.672 4.340 -0.001 0.000 0.193 638 L C 2.301 179.031 176.870 -0.234 0.000 1.087 638 L CA 1.264 55.894 54.840 -0.350 0.000 0.817 638 L CB -0.612 40.959 42.059 -0.813 0.000 1.035 638 L HN 0.003 nan 8.230 nan 0.000 0.482 639 A N -0.260 122.432 122.820 -0.213 0.000 2.131 639 A HA -0.112 4.207 4.320 -0.001 0.000 0.220 639 A C 2.146 179.655 177.584 -0.124 0.000 1.158 639 A CA 1.823 53.773 52.037 -0.146 0.000 0.665 639 A CB -0.933 18.014 19.000 -0.088 0.000 0.795 639 A HN 0.630 nan 8.150 nan 0.000 0.460 640 S N -0.271 115.362 115.700 -0.112 0.000 2.343 640 S HA -0.125 4.345 4.470 -0.001 0.000 0.212 640 S C 1.879 176.404 174.600 -0.125 0.000 1.033 640 S CA 1.185 59.330 58.200 -0.093 0.000 1.004 640 S CB -0.788 62.368 63.200 -0.073 0.000 0.977 640 S HN 0.667 nan 8.310 nan 0.000 0.427 641 L N 1.726 122.869 121.223 -0.133 0.000 2.054 641 L HA -0.254 4.085 4.340 -0.001 0.000 0.220 641 L C 2.225 178.920 176.870 -0.292 0.000 1.081 641 L CA 1.951 56.655 54.840 -0.227 0.000 0.780 641 L CB -0.536 41.419 42.059 -0.173 0.000 0.893 641 L HN 0.188 nan 8.230 nan 0.000 0.438 642 M N -0.229 119.204 119.600 -0.278 0.000 2.110 642 M HA -0.272 4.207 4.480 -0.001 0.000 0.257 642 M C 2.483 178.608 176.300 -0.291 0.000 1.071 642 M CA 2.305 57.395 55.300 -0.349 0.000 1.096 642 M CB -1.902 30.525 32.600 -0.287 0.000 1.300 642 M HN 0.579 nan 8.290 nan 0.000 0.411 643 A N -0.790 121.923 122.820 -0.178 0.000 1.873 643 A HA -0.204 4.115 4.320 -0.001 0.000 0.218 643 A C 2.302 179.842 177.584 -0.073 0.000 1.193 643 A CA 2.690 54.668 52.037 -0.099 0.000 0.629 643 A CB -1.371 17.591 19.000 -0.064 0.000 0.826 643 A HN 0.523 nan 8.150 nan 0.000 0.447 644 T N 0.087 114.587 114.554 -0.089 0.000 2.699 644 T HA -0.159 4.191 4.350 -0.001 0.000 0.268 644 T C 1.763 176.461 174.700 -0.004 0.000 1.036 644 T CA 1.625 63.700 62.100 -0.042 0.000 1.147 644 T CB -0.324 68.473 68.868 -0.119 0.000 0.862 644 T HN 0.190 nan 8.240 nan 0.000 0.446 645 L N 1.726 122.870 121.223 -0.132 0.000 2.056 645 L HA -0.045 4.294 4.340 -0.001 0.000 0.207 645 L C 2.509 179.397 176.870 0.030 0.000 1.078 645 L CA 1.684 56.471 54.840 -0.088 0.000 0.749 645 L CB -1.169 40.684 42.059 -0.343 0.000 0.901 645 L HN 0.558 nan 8.230 nan 0.000 0.433 646 E N -1.112 119.060 120.200 -0.048 0.000 2.501 646 E HA -0.181 4.168 4.350 -0.001 0.000 0.203 646 E C 1.025 177.699 176.600 0.123 0.000 1.072 646 E CA 1.203 57.664 56.400 0.102 0.000 0.885 646 E CB -0.555 29.202 29.700 0.094 0.000 0.813 646 E HN 0.561 nan 8.360 nan 0.000 0.556 647 T N -1.307 113.320 114.554 0.122 0.000 3.206 647 T HA 0.105 4.454 4.350 -0.001 0.000 0.253 647 T C 0.421 175.202 174.700 0.135 0.000 1.042 647 T CA 0.103 62.281 62.100 0.130 0.000 0.931 647 T CB 0.104 69.064 68.868 0.154 0.000 1.029 647 T HN 0.231 nan 8.240 nan 0.000 0.564 648 T N -1.090 113.548 114.554 0.139 0.000 2.865 648 T HA 0.553 4.902 4.350 -0.001 0.000 0.294 648 T C -1.066 173.650 174.700 0.026 0.000 1.119 648 T CA -1.030 61.121 62.100 0.086 0.000 1.007 648 T CB 1.433 70.403 68.868 0.170 0.000 1.225 648 T HN 0.096 nan 8.240 nan 0.000 0.515 649 N N 2.153 120.817 118.700 -0.059 0.000 2.434 649 N HA 0.538 5.277 4.740 -0.001 0.000 0.272 649 N C -2.567 172.723 175.510 -0.368 0.000 1.040 649 N CA -1.476 51.479 53.050 -0.159 0.000 0.956 649 N CB 1.044 39.458 38.487 -0.123 0.000 1.108 649 N HN 0.371 nan 8.380 nan 0.000 0.481 650 P HA 0.354 nan 4.420 nan 0.000 0.285 650 P C -1.533 175.278 177.300 -0.815 0.000 1.280 650 P CA -0.373 62.425 63.100 -0.503 0.000 0.862 650 P CB 1.351 32.830 31.700 -0.368 0.000 1.153 651 H N 0.148 118.935 119.070 -0.471 0.000 3.042 651 H HA 0.298 4.853 4.556 -0.001 0.000 0.345 651 H C -1.131 173.997 175.328 -0.332 0.000 1.052 651 H CA -0.202 55.645 56.048 -0.335 0.000 1.311 651 H CB 0.702 30.446 29.762 -0.031 0.000 1.810 651 H HN 0.300 nan 8.280 nan 0.000 0.505 652 F N 2.387 122.504 119.950 0.277 0.000 2.291 652 F HA 0.159 4.685 4.527 -0.001 0.000 0.368 652 F C 0.918 176.871 175.800 0.254 0.000 1.085 652 F CA -1.110 57.031 58.000 0.236 0.000 1.165 652 F CB 1.252 40.379 39.000 0.212 0.000 1.429 652 F HN 0.280 nan 8.300 nan 0.000 0.503 653 V N 3.441 123.563 119.914 0.346 0.000 2.455 653 V HA 0.446 4.565 4.120 -0.001 0.000 0.273 653 V C 0.037 176.250 176.094 0.199 0.000 1.045 653 V CA -0.629 61.826 62.300 0.259 0.000 0.976 653 V CB 0.603 32.538 31.823 0.185 0.000 0.993 653 V HN 0.521 nan 8.190 nan 0.000 0.475 654 R N 5.042 125.624 120.500 0.138 0.000 2.391 654 R HA 0.397 4.737 4.340 -0.001 0.000 0.310 654 R C -0.331 175.964 176.300 -0.010 0.000 1.174 654 R CA -0.291 55.806 56.100 -0.005 0.000 1.118 654 R CB 0.143 30.376 30.300 -0.112 0.000 1.134 654 R HN 0.848 nan 8.270 nan 0.000 0.524 655 C N 3.407 122.696 119.300 -0.018 0.000 2.652 655 C HA 0.452 4.911 4.460 -0.001 0.000 0.412 655 C C 0.835 175.771 174.990 -0.090 0.000 1.294 655 C CA -0.043 58.946 59.018 -0.048 0.000 2.127 655 C CB -0.025 27.695 27.740 -0.034 0.000 2.691 655 C HN 0.607 nan 8.230 nan 0.000 0.615 656 I N 3.703 124.199 120.570 -0.122 0.000 2.656 656 I HA 0.360 4.529 4.170 -0.001 0.000 0.292 656 I C -0.490 175.534 176.117 -0.155 0.000 1.144 656 I CA -0.360 60.858 61.300 -0.136 0.000 1.038 656 I CB 1.606 39.524 38.000 -0.138 0.000 1.244 656 I HN 0.534 nan 8.210 nan 0.000 0.420 657 I N 8.031 128.534 120.570 -0.113 0.000 2.312 657 I HA 0.198 4.367 4.170 -0.001 0.000 0.291 657 I C -1.248 174.832 176.117 -0.061 0.000 1.031 657 I CA -1.916 59.346 61.300 -0.063 0.000 1.293 657 I CB 2.081 40.096 38.000 0.024 0.000 1.403 657 I HN 0.359 nan 8.210 nan 0.000 0.484 658 P HA -0.096 nan 4.420 nan 0.000 0.216 658 P C -0.699 176.605 177.300 0.006 0.000 1.153 658 P CA 1.262 64.315 63.100 -0.078 0.000 0.848 658 P CB -0.006 31.663 31.700 -0.051 0.000 0.787 659 N N -2.838 115.910 118.700 0.081 0.000 3.116 659 N HA 0.093 4.832 4.740 -0.001 0.000 0.244 659 N C -0.293 175.231 175.510 0.023 0.000 1.485 659 N CA -0.784 52.288 53.050 0.036 0.000 0.884 659 N CB -0.622 37.886 38.487 0.035 0.000 1.415 659 N HN -0.362 nan 8.380 nan 0.000 0.524 660 N N -0.704 117.984 118.700 -0.020 0.000 2.395 660 N HA 0.033 4.772 4.740 -0.001 0.000 0.175 660 N C 0.346 175.807 175.510 -0.082 0.000 1.029 660 N CA 0.273 53.301 53.050 -0.037 0.000 0.897 660 N CB 0.187 38.653 38.487 -0.034 0.000 0.991 660 N HN 0.455 nan 8.380 nan 0.000 0.441 661 K N 1.034 121.374 120.400 -0.099 0.000 2.555 661 K HA -0.007 4.312 4.320 -0.001 0.000 0.193 661 K C -0.244 176.199 176.600 -0.262 0.000 1.032 661 K CA 0.279 56.485 56.287 -0.136 0.000 1.004 661 K CB -0.281 32.161 32.500 -0.098 0.000 0.804 661 K HN 0.307 nan 8.250 nan 0.000 0.496 662 Q N 0.154 119.699 119.800 -0.425 0.000 2.455 662 Q HA -0.174 4.166 4.340 -0.001 0.000 0.343 662 Q C -1.035 174.322 176.000 -1.073 0.000 1.458 662 Q CA 0.284 55.435 55.803 -1.087 0.000 0.923 662 Q CB -1.634 26.635 28.738 -0.781 0.000 1.149 662 Q HN 0.254 nan 8.270 nan 0.000 0.357 663 L N -0.678 120.142 121.223 -0.673 0.000 2.403 663 L HA 0.714 5.053 4.340 -0.001 0.000 0.253 663 L C -2.253 174.728 176.870 0.186 0.000 1.045 663 L CA -2.396 52.333 54.840 -0.185 0.000 0.845 663 L CB 1.470 43.483 42.059 -0.077 0.000 1.447 663 L HN -0.031 nan 8.230 nan 0.000 0.411 664 P HA 0.230 nan 4.420 nan 0.000 0.286 664 P C 0.397 177.805 177.300 0.180 0.000 1.293 664 P CA 0.428 63.654 63.100 0.210 0.000 0.770 664 P CB 0.603 32.369 31.700 0.110 0.000 1.206 665 A N -1.343 121.573 122.820 0.159 0.000 2.079 665 A HA -0.343 3.976 4.320 -0.001 0.000 0.228 665 A C 0.789 178.487 177.584 0.189 0.000 0.374 665 A CA 2.071 54.186 52.037 0.131 0.000 1.100 665 A CB -2.789 16.250 19.000 0.065 0.000 1.441 665 A HN 0.620 nan 8.150 nan 0.000 0.704 666 K N -0.061 120.433 120.400 0.157 0.000 2.062 666 K HA 0.294 4.614 4.320 -0.001 0.000 0.251 666 K C -0.506 176.178 176.600 0.140 0.000 1.113 666 K CA 0.079 56.440 56.287 0.122 0.000 1.096 666 K CB -0.204 32.338 32.500 0.070 0.000 1.099 666 K HN 0.412 nan 8.250 nan 0.000 0.350 667 L N 4.136 125.450 121.223 0.152 0.000 2.397 667 L HA 0.081 4.421 4.340 -0.001 0.000 0.263 667 L C -0.407 176.553 176.870 0.150 0.000 1.136 667 L CA -0.055 54.861 54.840 0.126 0.000 1.019 667 L CB 0.181 42.325 42.059 0.143 0.000 1.352 667 L HN 0.394 nan 8.230 nan 0.000 0.420 668 E N 2.372 122.621 120.200 0.082 0.000 2.059 668 E HA -0.045 4.304 4.350 -0.001 0.000 0.262 668 E C 0.216 176.816 176.600 0.001 0.000 1.230 668 E CA -0.097 56.330 56.400 0.045 0.000 0.951 668 E CB 0.182 29.881 29.700 -0.001 0.000 1.038 668 E HN 0.484 nan 8.360 nan 0.000 0.425 669 D N 2.618 123.053 120.400 0.058 0.000 2.429 669 D HA -0.198 4.442 4.640 -0.001 0.000 0.230 669 D C 1.380 177.415 176.300 -0.441 0.000 1.005 669 D CA 1.119 54.971 54.000 -0.247 0.000 0.963 669 D CB -0.245 40.609 40.800 0.089 0.000 0.872 669 D HN 0.495 nan 8.370 nan 0.000 0.524 670 K N 0.446 120.695 120.400 -0.252 0.000 2.362 670 K HA 0.202 4.521 4.320 -0.001 0.000 0.203 670 K C 2.073 178.550 176.600 -0.206 0.000 1.198 670 K CA 0.547 56.700 56.287 -0.223 0.000 0.908 670 K CB -0.860 31.554 32.500 -0.143 0.000 1.236 670 K HN 0.136 nan 8.250 nan 0.000 0.487 671 V N 0.019 119.839 119.914 -0.157 0.000 2.392 671 V HA -0.183 3.936 4.120 -0.001 0.000 0.249 671 V C 2.053 178.043 176.094 -0.173 0.000 1.059 671 V CA 2.291 64.510 62.300 -0.136 0.000 1.051 671 V CB -0.484 31.287 31.823 -0.087 0.000 0.658 671 V HN 0.224 nan 8.190 nan 0.000 0.455 672 V N 0.123 119.906 119.914 -0.218 0.000 2.237 672 V HA -0.210 3.910 4.120 -0.001 0.000 0.245 672 V C 2.648 178.561 176.094 -0.303 0.000 1.046 672 V CA 2.586 64.736 62.300 -0.249 0.000 1.007 672 V CB -0.547 31.116 31.823 -0.267 0.000 0.638 672 V HN 0.556 nan 8.190 nan 0.000 0.445 673 L N -0.159 120.806 121.223 -0.430 0.000 2.349 673 L HA -0.213 4.126 4.340 -0.001 0.000 0.220 673 L C 2.088 178.807 176.870 -0.252 0.000 1.130 673 L CA 1.257 55.873 54.840 -0.373 0.000 0.791 673 L CB -0.431 41.368 42.059 -0.433 0.000 0.918 673 L HN 0.443 nan 8.230 nan 0.000 0.444 674 D N -0.629 119.630 120.400 -0.235 0.000 2.091 674 D HA -0.186 4.453 4.640 -0.001 0.000 0.199 674 D C 2.229 178.379 176.300 -0.250 0.000 0.980 674 D CA 1.280 55.146 54.000 -0.223 0.000 0.831 674 D CB -0.169 40.512 40.800 -0.199 0.000 0.987 674 D HN 0.453 nan 8.370 nan 0.000 0.460 675 Q N 0.046 119.708 119.800 -0.230 0.000 2.124 675 Q HA -0.112 4.228 4.340 -0.001 0.000 0.202 675 Q C 2.055 177.921 176.000 -0.224 0.000 0.977 675 Q CA 0.772 56.435 55.803 -0.233 0.000 0.850 675 Q CB -0.358 28.265 28.738 -0.191 0.000 0.901 675 Q HN 0.163 nan 8.270 nan 0.000 0.429 676 L N 0.975 122.080 121.223 -0.197 0.000 2.083 676 L HA -0.112 4.228 4.340 -0.001 0.000 0.209 676 L C 2.548 179.320 176.870 -0.164 0.000 1.083 676 L CA 1.737 56.483 54.840 -0.157 0.000 0.752 676 L CB -0.361 41.614 42.059 -0.140 0.000 0.899 676 L HN 0.162 nan 8.230 nan 0.000 0.433 677 R N -1.352 119.032 120.500 -0.194 0.000 2.100 677 R HA -0.091 4.249 4.340 -0.001 0.000 0.220 677 R C 2.280 178.418 176.300 -0.270 0.000 1.091 677 R CA 1.322 57.307 56.100 -0.191 0.000 0.986 677 R CB -0.283 29.908 30.300 -0.182 0.000 0.888 677 R HN 0.623 nan 8.270 nan 0.000 0.444 678 C N 0.221 119.286 119.300 -0.392 0.000 2.626 678 C HA 0.276 4.735 4.460 -0.001 0.000 0.266 678 C C 0.941 175.722 174.990 -0.348 0.000 1.317 678 C CA -0.448 58.168 59.018 -0.669 0.000 1.716 678 C CB -0.861 26.327 27.740 -0.919 0.000 1.819 678 C HN 0.280 nan 8.230 nan 0.000 0.578 679 N N 0.950 119.481 118.700 -0.281 0.000 2.280 679 N HA 0.236 4.975 4.740 -0.001 0.000 0.192 679 N C 1.541 176.751 175.510 -0.499 0.000 1.109 679 N CA 1.144 53.972 53.050 -0.371 0.000 0.855 679 N CB 0.176 38.413 38.487 -0.417 0.000 0.974 679 N HN 0.768 nan 8.380 nan 0.000 0.482 680 G N 0.195 108.858 108.800 -0.229 0.000 2.176 680 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.252 680 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.252 680 G C 0.657 175.515 174.900 -0.070 0.000 1.024 680 G CA 0.448 45.479 45.100 -0.114 0.000 0.755 680 G HN 0.220 nan 8.290 nan 0.000 0.507 681 V N -1.049 118.816 119.914 -0.083 0.000 3.488 681 V HA 0.220 4.339 4.120 -0.001 0.000 0.273 681 V C 2.607 178.825 176.094 0.206 0.000 1.209 681 V CA 2.611 64.979 62.300 0.115 0.000 1.179 681 V CB -0.287 31.570 31.823 0.057 0.000 0.842 681 V HN 1.368 nan 8.190 nan 0.000 0.515 682 L N -1.981 119.324 121.223 0.138 0.000 3.128 682 L HA 0.709 5.048 4.340 -0.001 0.000 0.277 682 L C 1.102 178.043 176.870 0.118 0.000 1.171 682 L CA 0.808 55.714 54.840 0.111 0.000 1.008 682 L CB -0.878 41.214 42.059 0.055 0.000 1.442 682 L HN 0.378 nan 8.230 nan 0.000 0.584 686 R N 1.671 122.207 120.500 0.060 0.000 2.091 686 R HA -0.063 4.276 4.340 -0.001 0.000 0.238 686 R C 2.172 178.501 176.300 0.049 0.000 1.136 686 R CA 2.509 58.638 56.100 0.050 0.000 0.959 686 R CB -2.007 28.325 30.300 0.054 0.000 0.856 686 R HN 0.436 nan 8.270 nan 0.000 0.437 687 I N -0.234 120.377 120.570 0.068 0.000 2.163 687 I HA -0.181 3.988 4.170 -0.001 0.000 0.243 687 I C 2.684 178.823 176.117 0.036 0.000 1.085 687 I CA 2.767 64.100 61.300 0.056 0.000 1.347 687 I CB -1.673 36.367 38.000 0.067 0.000 1.044 687 I HN 0.467 nan 8.210 nan 0.000 0.408 688 T N -1.109 113.464 114.554 0.031 0.000 2.977 688 T HA -0.115 4.235 4.350 -0.001 0.000 0.271 688 T C 2.140 176.837 174.700 -0.004 0.000 1.105 688 T CA 1.720 63.821 62.100 0.002 0.000 1.116 688 T CB -0.269 68.576 68.868 -0.039 0.000 0.878 688 T HN 0.686 nan 8.240 nan 0.000 0.509 689 R N 0.423 120.926 120.500 0.005 0.000 2.121 689 R HA 0.237 4.576 4.340 -0.001 0.000 0.206 689 R C 1.446 177.751 176.300 0.009 0.000 1.094 689 R CA 0.591 56.692 56.100 0.002 0.000 1.055 689 R CB 0.115 30.416 30.300 0.000 0.000 0.964 689 R HN 0.240 nan 8.270 nan 0.000 0.473 690 K N 0.000 120.410 120.400 0.016 0.000 2.780 690 K HA 0.000 4.319 4.320 -0.001 0.000 0.191 690 K CA 0.000 56.298 56.287 0.019 0.000 0.838 690 K CB 0.000 32.515 32.500 0.025 0.000 1.064 690 K HN 0.000 nan 8.250 nan 0.000 0.543