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 3hu2_1_E DATA FIRST_RESID 12 DATA SEQUENCE LSTAILKQKN RPNRLIVDEA INEDNSVVSL SQPKMDELQL FRGDTVLLKG DATA SEQUENCE KKRREAVCIV LSDDTCSDEK IRMNAVVRNN LRVRLGDVIS IQPCPDVKYG DATA SEQUENCE KRIHVLPIDD TVEGITGNLF EVYLKPYFLE AYRPIRKGDI FLVRGGMRAV DATA SEQUENCE EFKVVETDPS PYCIVAPDTV IHCEGEPIKR EDEEESLNEV GYDDIGGCRK DATA SEQUENCE QLAQIKEMVE LPLRHPALFK AIGVKPPRGI LLYGPPGTGK TLIARAVANE DATA SEQUENCE TGAFFFLING PEIMSKLAGE SESNLRKAFE EAEKNAPAII FIDELDAIAP DATA SEQUENCE KREKTHGEVE RRIVSQLLTL MDGLKQRAHV IVMAATNRPN SIDPALRRFG DATA SEQUENCE RFDREVDIGI PDATGRLEIL QIHTKNMKLA DDVDLEQVAN ETHGHVGADL DATA SEQUENCE AALCSEAALQ AIRKKMDLID LEDETIDAEV MNSLAVTMDD FRWALSQSNP DATA SEQUENCE SA 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 12 L HA 0.000 nan 4.340 nan 0.000 0.249 12 L C 0.000 176.871 176.870 0.002 0.000 1.165 12 L CA 0.000 54.841 54.840 0.001 0.000 0.813 12 L CB 0.000 42.061 42.059 0.003 0.000 0.961 13 S N -1.295 114.407 115.700 0.005 0.000 2.456 13 S HA -0.004 4.466 4.470 0.000 0.000 0.224 13 S C 1.763 176.366 174.600 0.005 0.000 1.035 13 S CA 1.048 59.252 58.200 0.008 0.000 0.940 13 S CB -0.540 62.668 63.200 0.012 0.000 0.799 13 S HN 0.513 nan 8.310 nan 0.000 0.508 14 T N 1.876 116.431 114.554 0.001 0.000 2.996 14 T HA 0.056 4.406 4.350 0.000 0.000 0.271 14 T C 1.799 176.495 174.700 -0.006 0.000 1.126 14 T CA 1.161 63.258 62.100 -0.005 0.000 1.103 14 T CB -0.977 67.888 68.868 -0.006 0.000 0.870 14 T HN 0.582 nan 8.240 nan 0.000 0.528 15 A N 1.348 124.166 122.820 -0.003 0.000 1.940 15 A HA -0.173 4.147 4.320 0.000 0.000 0.221 15 A C 2.201 179.783 177.584 -0.003 0.000 1.190 15 A CA 2.014 54.049 52.037 -0.004 0.000 0.647 15 A CB -1.017 17.980 19.000 -0.005 0.000 0.821 15 A HN 0.705 nan 8.150 nan 0.000 0.457 16 I N -0.870 119.700 120.570 0.000 0.000 2.423 16 I HA -0.220 3.951 4.170 0.000 0.000 0.254 16 I C 1.837 177.954 176.117 0.000 0.000 1.151 16 I CA 1.275 62.579 61.300 0.006 0.000 1.421 16 I CB -0.002 38.009 38.000 0.018 0.000 1.079 16 I HN 0.372 nan 8.210 nan 0.000 0.431 17 L N 0.006 121.222 121.223 -0.011 0.000 2.446 17 L HA 0.041 4.381 4.340 0.000 0.000 0.219 17 L C 1.217 178.084 176.870 -0.006 0.000 1.116 17 L CA 0.015 54.844 54.840 -0.019 0.000 0.844 17 L CB -0.390 41.648 42.059 -0.035 0.000 0.970 17 L HN 0.044 nan 8.230 nan 0.000 0.457 18 K N 0.952 121.350 120.400 -0.003 0.000 2.489 18 K HA -0.067 4.254 4.320 0.000 0.000 0.278 18 K C 1.027 177.629 176.600 0.005 0.000 1.000 18 K CA 0.062 56.349 56.287 -0.000 0.000 1.012 18 K CB 0.733 33.232 32.500 -0.002 0.000 0.903 18 K HN 0.143 nan 8.250 nan 0.000 0.485 19 Q N 2.170 121.974 119.800 0.006 0.000 2.112 19 Q HA -0.198 4.142 4.340 0.000 0.000 0.206 19 Q C -0.318 175.688 176.000 0.009 0.000 0.987 19 Q CA 1.385 57.194 55.803 0.009 0.000 0.858 19 Q CB -0.104 28.639 28.738 0.008 0.000 0.905 19 Q HN 0.511 nan 8.270 nan 0.000 0.420 20 K N 1.607 122.010 120.400 0.005 0.000 6.536 20 K HA -0.101 4.219 4.320 0.000 0.000 0.703 20 K C -1.298 175.304 176.600 0.003 0.000 1.892 20 K CA 0.148 56.436 56.287 0.003 0.000 1.651 20 K CB -0.764 31.738 32.500 0.003 0.000 1.852 20 K HN 0.241 nan 8.250 nan 0.000 0.324 21 N N 3.322 122.022 118.700 0.001 0.000 2.468 21 N HA 0.137 4.877 4.740 0.000 0.000 0.265 21 N C -0.112 175.397 175.510 -0.001 0.000 1.199 21 N CA 0.259 53.309 53.050 0.001 0.000 0.928 21 N CB 0.581 39.068 38.487 -0.001 0.000 1.059 21 N HN 0.324 nan 8.380 nan 0.000 0.467 22 R N 2.238 122.738 120.500 -0.000 0.000 2.725 22 R HA 0.333 4.673 4.340 0.000 0.000 0.277 22 R C -1.496 174.802 176.300 -0.004 0.000 0.987 22 R CA -1.371 54.728 56.100 -0.002 0.000 0.901 22 R CB 1.638 31.938 30.300 0.000 0.000 1.207 22 R HN 0.238 nan 8.270 nan 0.000 0.463 23 P HA -0.309 nan 4.420 nan 0.000 0.222 23 P C 0.258 177.551 177.300 -0.011 0.000 1.157 23 P CA 1.735 64.829 63.100 -0.010 0.000 0.905 23 P CB 0.109 31.801 31.700 -0.013 0.000 0.792 24 N N -1.672 117.021 118.700 -0.010 0.000 2.325 24 N HA -0.048 4.692 4.740 0.000 0.000 0.182 24 N C 0.804 176.310 175.510 -0.006 0.000 1.088 24 N CA -0.000 53.043 53.050 -0.012 0.000 0.879 24 N CB -0.113 38.365 38.487 -0.015 0.000 0.983 24 N HN 0.080 nan 8.380 nan 0.000 0.471 25 R N 0.984 121.483 120.500 -0.002 0.000 2.288 25 R HA 0.345 4.685 4.340 0.000 0.000 0.330 25 R C -0.921 175.379 176.300 0.001 0.000 1.069 25 R CA 0.007 56.108 56.100 0.002 0.000 0.941 25 R CB 0.239 30.542 30.300 0.005 0.000 0.998 25 R HN 0.159 nan 8.270 nan 0.000 0.452 26 L N 5.118 126.342 121.223 0.001 0.000 2.401 26 L HA 0.467 4.808 4.340 0.000 0.000 0.266 26 L C -0.290 176.581 176.870 0.003 0.000 0.991 26 L CA -0.832 54.008 54.840 0.000 0.000 0.818 26 L CB 2.248 44.306 42.059 -0.002 0.000 1.321 26 L HN 0.502 nan 8.230 nan 0.000 0.413 27 I N 2.892 123.464 120.570 0.003 0.000 2.533 27 I HA 0.070 4.240 4.170 0.000 0.000 0.284 27 I C 0.255 176.374 176.117 0.004 0.000 1.109 27 I CA -0.474 60.829 61.300 0.004 0.000 1.412 27 I CB 1.245 39.247 38.000 0.004 0.000 1.396 27 I HN 0.331 nan 8.210 nan 0.000 0.543 28 V N 3.221 123.138 119.914 0.005 0.000 2.446 28 V HA 0.254 4.374 4.120 0.000 0.000 0.276 28 V C -0.147 175.951 176.094 0.007 0.000 1.030 28 V CA -0.305 61.999 62.300 0.006 0.000 1.033 28 V CB 0.790 32.617 31.823 0.008 0.000 0.993 28 V HN 0.589 nan 8.190 nan 0.000 0.477 29 D N 3.057 123.461 120.400 0.007 0.000 2.272 29 D HA 0.335 4.975 4.640 0.000 0.000 0.247 29 D C -0.146 176.159 176.300 0.009 0.000 0.990 29 D CA -0.607 53.398 54.000 0.007 0.000 0.931 29 D CB 2.152 42.955 40.800 0.006 0.000 1.195 29 D HN 0.874 nan 8.370 nan 0.000 0.477 30 E N 0.398 120.604 120.200 0.009 0.000 2.413 30 E HA 0.369 4.719 4.350 0.000 0.000 0.263 30 E C -1.043 175.564 176.600 0.011 0.000 1.015 30 E CA -0.279 56.127 56.400 0.011 0.000 0.916 30 E CB 0.655 30.361 29.700 0.010 0.000 0.947 30 E HN 0.354 nan 8.360 nan 0.000 0.440 31 A N 4.481 127.309 122.820 0.014 0.000 2.327 31 A HA 0.356 4.677 4.320 0.000 0.000 0.283 31 A C 1.049 178.641 177.584 0.014 0.000 1.127 31 A CA -0.141 51.905 52.037 0.014 0.000 0.810 31 A CB -0.004 19.006 19.000 0.018 0.000 1.066 31 A HN 0.815 nan 8.150 nan 0.000 0.492 32 I N 0.161 120.738 120.570 0.012 0.000 2.703 32 I HA 0.092 4.262 4.170 0.000 0.000 0.259 32 I C 0.672 176.796 176.117 0.012 0.000 1.151 32 I CA 0.388 61.695 61.300 0.011 0.000 1.470 32 I CB -0.057 37.949 38.000 0.009 0.000 1.112 32 I HN 0.486 nan 8.210 nan 0.000 0.437 33 N N 2.447 121.154 118.700 0.012 0.000 2.415 33 N HA 0.026 4.766 4.740 0.000 0.000 0.246 33 N C 0.246 175.767 175.510 0.018 0.000 1.078 33 N CA 0.207 53.264 53.050 0.012 0.000 0.942 33 N CB 1.073 39.565 38.487 0.009 0.000 1.140 33 N HN 0.248 nan 8.380 nan 0.000 0.501 34 E N 1.304 121.517 120.200 0.021 0.000 2.502 34 E HA -0.015 4.335 4.350 0.000 0.000 0.194 34 E C -0.547 176.079 176.600 0.043 0.000 1.062 34 E CA -0.011 56.407 56.400 0.031 0.000 0.867 34 E CB -0.033 29.686 29.700 0.030 0.000 0.888 34 E HN 0.560 nan 8.360 nan 0.000 0.510 35 D N -0.593 119.827 120.400 0.033 0.000 2.382 35 D HA 0.011 4.651 4.640 0.000 0.000 0.245 35 D C 0.812 177.143 176.300 0.052 0.000 1.120 35 D CA 0.019 54.041 54.000 0.037 0.000 0.890 35 D CB 0.733 41.531 40.800 -0.004 0.000 1.201 35 D HN -0.116 nan 8.370 nan 0.000 0.433 36 N N 1.311 120.070 118.700 0.098 0.000 2.289 36 N HA -0.117 4.623 4.740 0.000 0.000 0.184 36 N C 0.975 176.526 175.510 0.068 0.000 1.016 36 N CA 0.612 53.737 53.050 0.125 0.000 0.872 36 N CB 0.004 38.645 38.487 0.258 0.000 0.973 36 N HN 0.221 nan 8.380 nan 0.000 0.433 37 S N -0.252 115.453 115.700 0.008 0.000 2.605 37 S HA 0.150 4.621 4.470 0.000 0.000 0.217 37 S C 0.286 174.883 174.600 -0.005 0.000 0.958 37 S CA -0.263 57.930 58.200 -0.013 0.000 0.919 37 S CB 0.443 63.606 63.200 -0.061 0.000 0.780 37 S HN 0.035 nan 8.310 nan 0.000 0.507 38 V N 2.304 122.221 119.914 0.004 0.000 2.588 38 V HA 0.700 4.820 4.120 0.000 0.000 0.304 38 V C -0.897 175.202 176.094 0.008 0.000 1.042 38 V CA -0.675 61.627 62.300 0.003 0.000 0.877 38 V CB 1.871 33.694 31.823 0.001 0.000 0.996 38 V HN 0.110 nan 8.190 nan 0.000 0.425 39 V N 3.490 123.406 119.914 0.003 0.000 2.769 39 V HA 0.832 4.953 4.120 0.000 0.000 0.312 39 V C -0.215 175.881 176.094 0.002 0.000 1.061 39 V CA -0.428 61.874 62.300 0.003 0.000 0.931 39 V CB 1.911 33.733 31.823 -0.002 0.000 1.010 39 V HN 0.795 nan 8.190 nan 0.000 0.433 40 S N 4.387 120.089 115.700 0.004 0.000 2.472 40 S HA 0.846 5.317 4.470 0.000 0.000 0.303 40 S C -0.538 174.064 174.600 0.003 0.000 1.099 40 S CA -0.587 57.616 58.200 0.005 0.000 1.077 40 S CB 1.229 64.433 63.200 0.007 0.000 1.031 40 S HN 0.709 nan 8.310 nan 0.000 0.487 41 L N 1.760 122.985 121.223 0.003 0.000 2.333 41 L HA 0.596 4.936 4.340 0.000 0.000 0.263 41 L C 0.491 177.364 176.870 0.006 0.000 1.014 41 L CA -0.967 53.874 54.840 0.002 0.000 0.820 41 L CB 2.051 44.109 42.059 -0.002 0.000 1.352 41 L HN 0.735 nan 8.230 nan 0.000 0.421 42 S N -0.043 115.659 115.700 0.005 0.000 2.579 42 S HA 0.010 4.480 4.470 0.000 0.000 0.275 42 S C 0.634 175.240 174.600 0.010 0.000 1.345 42 S CA -0.212 57.992 58.200 0.007 0.000 1.031 42 S CB 1.482 64.685 63.200 0.006 0.000 0.892 42 S HN 0.680 nan 8.310 nan 0.000 0.529 43 Q N 2.136 121.944 119.800 0.014 0.000 2.096 43 Q HA 0.024 4.364 4.340 0.000 0.000 0.204 43 Q C -0.969 175.043 176.000 0.019 0.000 0.982 43 Q CA 2.110 57.925 55.803 0.020 0.000 0.850 43 Q CB -1.661 27.090 28.738 0.021 0.000 0.901 43 Q HN 0.722 nan 8.270 nan 0.000 0.422 44 P HA -0.064 nan 4.420 nan 0.000 0.230 44 P C 0.446 177.749 177.300 0.006 0.000 1.158 44 P CA 1.112 64.219 63.100 0.011 0.000 0.769 44 P CB 0.117 31.822 31.700 0.008 0.000 0.807 45 K N -0.450 119.952 120.400 0.003 0.000 2.211 45 K HA 0.138 4.459 4.320 0.000 0.000 0.201 45 K C 1.917 178.511 176.600 -0.010 0.000 1.052 45 K CA 1.081 57.366 56.287 -0.004 0.000 0.973 45 K CB -0.778 31.720 32.500 -0.004 0.000 0.766 45 K HN -0.004 nan 8.250 nan 0.000 0.466 46 M N 0.281 119.879 119.600 -0.003 0.000 2.175 46 M HA -0.128 4.352 4.480 0.000 0.000 0.264 46 M C 1.054 177.345 176.300 -0.015 0.000 1.063 46 M CA 1.825 57.120 55.300 -0.009 0.000 1.119 46 M CB -0.257 32.352 32.600 0.015 0.000 1.377 46 M HN 0.114 nan 8.290 nan 0.000 0.415 47 D N 0.165 120.571 120.400 0.010 0.000 2.117 47 D HA -0.171 4.470 4.640 0.000 0.000 0.198 47 D C 1.950 178.243 176.300 -0.011 0.000 0.982 47 D CA 1.044 55.055 54.000 0.019 0.000 0.828 47 D CB -0.004 40.816 40.800 0.034 0.000 0.967 47 D HN 0.331 nan 8.370 nan 0.000 0.464 48 E N 0.005 120.196 120.200 -0.015 0.000 2.072 48 E HA -0.117 4.233 4.350 0.000 0.000 0.191 48 E C 1.613 178.190 176.600 -0.039 0.000 0.985 48 E CA 0.651 57.038 56.400 -0.020 0.000 0.801 48 E CB 0.053 29.745 29.700 -0.014 0.000 0.750 48 E HN 0.300 nan 8.360 nan 0.000 0.452 49 L N 0.451 121.641 121.223 -0.055 0.000 2.591 49 L HA 0.061 4.401 4.340 0.000 0.000 0.228 49 L C 0.385 177.179 176.870 -0.127 0.000 1.133 49 L CA 0.117 54.912 54.840 -0.075 0.000 0.880 49 L CB 0.036 42.056 42.059 -0.065 0.000 1.033 49 L HN 0.105 nan 8.230 nan 0.000 0.450 50 Q N 0.845 120.550 119.800 -0.159 0.000 2.439 50 Q HA -0.191 4.149 4.340 0.000 0.000 0.325 50 Q C -0.762 174.947 176.000 -0.486 0.000 1.372 50 Q CA 0.449 56.067 55.803 -0.308 0.000 0.909 50 Q CB -1.366 27.215 28.738 -0.262 0.000 1.167 50 Q HN 0.456 nan 8.270 nan 0.000 0.418 51 L N 1.081 122.091 121.223 -0.355 0.000 2.294 51 L HA 0.499 4.839 4.340 0.000 0.000 0.283 51 L C 0.230 176.978 176.870 -0.204 0.000 1.015 51 L CA -0.511 54.150 54.840 -0.299 0.000 0.831 51 L CB 0.617 42.594 42.059 -0.137 0.000 1.217 51 L HN 0.080 nan 8.230 nan 0.000 0.420 52 F N 1.342 121.285 119.950 -0.012 0.000 2.399 52 F HA 0.357 4.884 4.527 0.001 0.000 0.313 52 F C 1.172 176.964 175.800 -0.014 0.000 1.202 52 F CA -0.874 57.119 58.000 -0.012 0.000 1.192 52 F CB 0.471 39.464 39.000 -0.013 0.000 1.256 52 F HN 0.409 nan 8.300 nan 0.000 0.558 53 R N 0.609 121.233 120.500 0.207 0.000 2.484 53 R HA 0.225 4.565 4.340 0.000 0.000 0.293 53 R C 0.870 177.216 176.300 0.077 0.000 1.023 53 R CA 1.145 57.304 56.100 0.099 0.000 1.037 53 R CB -0.151 30.188 30.300 0.065 0.000 0.951 53 R HN 0.966 nan 8.270 nan 0.000 0.418 54 G N 3.096 111.924 108.800 0.047 0.000 2.195 54 G HA2 -0.223 3.738 3.960 0.000 0.000 0.246 54 G HA3 -0.223 3.738 3.960 0.000 0.000 0.246 54 G C -0.273 174.640 174.900 0.023 0.000 0.984 54 G CA 0.069 45.187 45.100 0.029 0.000 0.633 54 G HN 0.651 nan 8.290 nan 0.000 0.525 55 D N 2.249 122.668 120.400 0.031 0.000 2.425 55 D HA 0.404 5.044 4.640 0.000 0.000 0.247 55 D C 1.195 177.486 176.300 -0.015 0.000 1.147 55 D CA 1.075 55.081 54.000 0.010 0.000 0.879 55 D CB 1.006 41.808 40.800 0.004 0.000 1.179 55 D HN 0.450 nan 8.370 nan 0.000 0.456 56 T N -0.872 113.666 114.554 -0.027 0.000 2.799 56 T HA 0.376 4.726 4.350 0.000 0.000 0.296 56 T C 0.476 175.136 174.700 -0.068 0.000 0.947 56 T CA -0.862 61.211 62.100 -0.046 0.000 1.141 56 T CB 0.491 69.329 68.868 -0.050 0.000 0.891 56 T HN 0.189 nan 8.240 nan 0.000 0.533 57 V N 1.384 121.251 119.914 -0.079 0.000 2.960 57 V HA 0.806 4.926 4.120 0.000 0.000 0.315 57 V C -0.578 175.437 176.094 -0.133 0.000 1.087 57 V CA -1.524 60.721 62.300 -0.091 0.000 0.982 57 V CB 1.683 33.467 31.823 -0.066 0.000 1.039 57 V HN 0.799 nan 8.190 nan 0.000 0.437 58 L N 3.835 124.977 121.223 -0.136 0.000 2.280 58 L HA 0.631 4.971 4.340 0.000 0.000 0.287 58 L C -0.644 176.169 176.870 -0.096 0.000 1.023 58 L CA -0.175 54.565 54.840 -0.167 0.000 0.819 58 L CB 0.626 42.573 42.059 -0.187 0.000 1.212 58 L HN 0.725 nan 8.230 nan 0.000 0.420 59 L N 5.280 126.452 121.223 -0.084 0.000 2.309 59 L HA 0.521 4.861 4.340 0.000 0.000 0.282 59 L C -0.060 176.793 176.870 -0.027 0.000 1.036 59 L CA -0.596 54.217 54.840 -0.044 0.000 0.806 59 L CB 1.140 43.181 42.059 -0.031 0.000 1.220 59 L HN 0.521 nan 8.230 nan 0.000 0.429 60 K N 1.954 122.347 120.400 -0.011 0.000 2.425 60 K HA 0.458 4.778 4.320 0.000 0.000 0.259 60 K C 0.188 176.792 176.600 0.008 0.000 0.978 60 K CA -0.352 55.936 56.287 0.003 0.000 0.883 60 K CB 1.997 34.503 32.500 0.010 0.000 1.110 60 K HN 0.771 nan 8.250 nan 0.000 0.436 61 G N 2.348 111.154 108.800 0.009 0.000 2.829 61 G HA2 0.255 4.215 3.960 0.000 0.000 0.173 61 G HA3 0.255 4.215 3.960 0.000 0.000 0.173 61 G C -0.540 174.366 174.900 0.010 0.000 1.476 61 G CA -0.387 44.718 45.100 0.009 0.000 1.072 61 G HN 0.369 nan 8.290 nan 0.000 0.577 62 K N -0.248 120.154 120.400 0.004 0.000 2.095 62 K HA 0.416 4.737 4.320 0.000 0.000 0.252 62 K C -0.567 176.017 176.600 -0.026 0.000 0.977 62 K CA -0.498 55.787 56.287 -0.003 0.000 0.900 62 K CB 1.238 33.736 32.500 -0.003 0.000 1.060 62 K HN 0.362 nan 8.250 nan 0.000 0.449 63 K N 1.497 121.864 120.400 -0.055 0.000 3.419 63 K HA -0.292 4.028 4.320 0.000 0.000 0.272 63 K C 0.039 176.596 176.600 -0.071 0.000 0.973 63 K CA 0.849 57.074 56.287 -0.103 0.000 0.749 63 K CB -1.026 31.405 32.500 -0.116 0.000 1.403 63 K HN 0.829 nan 8.250 nan 0.000 0.456 64 R N -1.349 119.123 120.500 -0.047 0.000 3.769 64 R HA -0.217 4.123 4.340 0.000 0.000 0.443 64 R C -0.399 175.903 176.300 0.003 0.000 0.647 64 R CA 2.002 58.089 56.100 -0.021 0.000 1.563 64 R CB -0.550 29.729 30.300 -0.035 0.000 2.174 64 R HN 0.402 nan 8.270 nan 0.000 0.403 65 R N 1.975 122.474 120.500 -0.002 0.000 2.623 65 R HA 0.180 4.520 4.340 0.000 0.000 0.271 65 R C -0.093 176.220 176.300 0.022 0.000 1.043 65 R CA 0.642 56.750 56.100 0.013 0.000 1.083 65 R CB 0.398 30.702 30.300 0.008 0.000 0.974 65 R HN 0.431 nan 8.270 nan 0.000 0.436 66 E N -0.327 119.894 120.200 0.035 0.000 2.410 66 E HA 0.756 5.106 4.350 0.000 0.000 0.269 66 E C -1.254 175.360 176.600 0.024 0.000 0.937 66 E CA -1.026 55.389 56.400 0.025 0.000 0.793 66 E CB 2.423 32.147 29.700 0.040 0.000 1.314 66 E HN 0.638 nan 8.360 nan 0.000 0.447 67 A N 0.498 123.311 122.820 -0.011 0.000 2.574 67 A HA 0.561 4.882 4.320 0.000 0.000 0.297 67 A C -1.317 176.221 177.584 -0.077 0.000 1.062 67 A CA -0.760 51.271 52.037 -0.011 0.000 0.686 67 A CB 1.287 20.297 19.000 0.017 0.000 1.285 67 A HN 0.356 nan 8.150 nan 0.000 0.403 68 V N -1.116 118.745 119.914 -0.087 0.000 2.384 68 V HA 0.767 4.887 4.120 0.000 0.000 0.287 68 V C -0.110 175.946 176.094 -0.062 0.000 1.020 68 V CA -0.726 61.490 62.300 -0.140 0.000 0.850 68 V CB 0.074 31.752 31.823 -0.242 0.000 0.987 68 V HN 1.023 nan 8.190 nan 0.000 0.436 69 C N 4.377 123.641 119.300 -0.061 0.000 3.044 69 C HA 0.704 5.164 4.460 0.000 0.000 0.315 69 C C -0.030 174.942 174.990 -0.030 0.000 1.320 69 C CA -0.775 58.225 59.018 -0.030 0.000 1.582 69 C CB 2.003 29.732 27.740 -0.018 0.000 2.039 69 C HN 0.890 nan 8.230 nan 0.000 0.466 70 I N 1.474 122.035 120.570 -0.015 0.000 2.385 70 I HA 0.418 4.588 4.170 0.000 0.000 0.294 70 I C -0.127 175.986 176.117 -0.007 0.000 0.988 70 I CA -0.174 61.121 61.300 -0.009 0.000 1.265 70 I CB 1.211 39.212 38.000 0.002 0.000 1.388 70 I HN 0.298 nan 8.210 nan 0.000 0.480 71 V N 8.051 127.962 119.914 -0.005 0.000 2.394 71 V HA 0.538 4.659 4.120 0.000 0.000 0.282 71 V C -0.389 175.711 176.094 0.010 0.000 1.031 71 V CA -0.288 62.011 62.300 -0.002 0.000 0.881 71 V CB 1.238 33.054 31.823 -0.011 0.000 0.982 71 V HN 0.507 nan 8.190 nan 0.000 0.451 72 L N 5.600 126.829 121.223 0.011 0.000 2.354 72 L HA 0.617 4.958 4.340 0.000 0.000 0.264 72 L C 0.245 177.125 176.870 0.016 0.000 1.008 72 L CA -0.749 54.101 54.840 0.016 0.000 0.819 72 L CB 2.507 44.574 42.059 0.013 0.000 1.339 72 L HN 0.711 nan 8.230 nan 0.000 0.420 73 S N -0.431 115.281 115.700 0.020 0.000 2.572 73 S HA 0.346 4.816 4.470 0.000 0.000 0.279 73 S C -0.717 173.891 174.600 0.013 0.000 1.341 73 S CA -0.476 57.735 58.200 0.018 0.000 1.043 73 S CB 1.378 64.591 63.200 0.023 0.000 0.887 73 S HN 0.635 nan 8.310 nan 0.000 0.516 74 D N -0.013 120.393 120.400 0.011 0.000 2.964 74 D HA 0.368 5.009 4.640 0.000 0.000 0.234 74 D C -0.375 175.930 176.300 0.008 0.000 1.223 74 D CA -0.573 53.433 54.000 0.009 0.000 0.889 74 D CB 1.954 42.759 40.800 0.008 0.000 1.609 74 D HN 0.373 nan 8.370 nan 0.000 0.523 75 D N 0.802 121.207 120.400 0.008 0.000 2.120 75 D HA -0.079 4.561 4.640 0.000 0.000 0.202 75 D C 1.597 177.900 176.300 0.006 0.000 0.972 75 D CA 1.007 55.011 54.000 0.007 0.000 0.837 75 D CB -0.202 40.602 40.800 0.006 0.000 0.989 75 D HN 0.423 nan 8.370 nan 0.000 0.469 76 T N -0.367 114.190 114.554 0.006 0.000 3.051 76 T HA -0.067 4.283 4.350 0.000 0.000 0.269 76 T C 0.797 175.501 174.700 0.005 0.000 1.127 76 T CA 0.145 62.248 62.100 0.005 0.000 1.107 76 T CB -0.535 68.336 68.868 0.005 0.000 0.898 76 T HN 0.162 nan 8.240 nan 0.000 0.517 77 C N 2.321 121.625 119.300 0.006 0.000 2.536 77 C HA 0.644 5.105 4.460 0.000 0.000 0.396 77 C C 0.858 175.851 174.990 0.005 0.000 1.279 77 C CA -0.857 58.164 59.018 0.005 0.000 2.148 77 C CB -0.054 27.690 27.740 0.006 0.000 2.584 77 C HN 0.469 nan 8.230 nan 0.000 0.579 78 S N 3.950 119.652 115.700 0.004 0.000 2.603 78 S HA 0.095 4.565 4.470 0.000 0.000 0.268 78 S C 0.782 175.384 174.600 0.003 0.000 1.317 78 S CA -0.325 57.877 58.200 0.003 0.000 1.012 78 S CB 0.961 64.163 63.200 0.003 0.000 0.926 78 S HN 0.872 nan 8.310 nan 0.000 0.539 79 D N 1.269 121.671 120.400 0.003 0.000 2.092 79 D HA -0.106 4.534 4.640 0.000 0.000 0.193 79 D C 1.228 177.528 176.300 0.000 0.000 0.994 79 D CA 1.274 55.276 54.000 0.002 0.000 0.828 79 D CB 0.055 40.856 40.800 0.002 0.000 0.963 79 D HN 0.462 nan 8.370 nan 0.000 0.450 80 E N 0.257 120.457 120.200 0.001 0.000 2.437 80 E HA 0.123 4.474 4.350 0.000 0.000 0.189 80 E C -0.009 176.591 176.600 0.001 0.000 1.054 80 E CA 0.190 56.590 56.400 0.000 0.000 0.874 80 E CB 0.293 29.993 29.700 0.001 0.000 1.011 80 E HN 0.306 nan 8.360 nan 0.000 0.474 81 K N 0.584 120.984 120.400 0.001 0.000 2.281 81 K HA 0.589 4.909 4.320 0.000 0.000 0.242 81 K C -0.602 175.998 176.600 0.001 0.000 0.971 81 K CA -0.796 55.492 56.287 0.002 0.000 0.834 81 K CB 2.505 35.007 32.500 0.003 0.000 1.181 81 K HN -0.062 nan 8.250 nan 0.000 0.435 82 I N 1.328 121.899 120.570 0.002 0.000 2.466 82 I HA 0.325 4.496 4.170 0.000 0.000 0.289 82 I C -1.018 175.101 176.117 0.004 0.000 1.026 82 I CA -0.709 60.592 61.300 0.002 0.000 1.078 82 I CB 1.112 39.111 38.000 -0.001 0.000 1.249 82 I HN 0.462 nan 8.210 nan 0.000 0.429 83 R N 8.900 129.403 120.500 0.005 0.000 2.221 83 R HA 0.624 4.965 4.340 0.000 0.000 0.327 83 R C -0.927 175.379 176.300 0.010 0.000 1.033 83 R CA -0.443 55.662 56.100 0.008 0.000 0.887 83 R CB 1.281 31.586 30.300 0.008 0.000 1.057 83 R HN 0.673 nan 8.270 nan 0.000 0.455 84 M N 0.435 120.043 119.600 0.013 0.000 2.371 84 M HA 0.328 4.808 4.480 0.000 0.000 0.287 84 M C -0.953 175.360 176.300 0.022 0.000 1.149 84 M CA -1.195 54.115 55.300 0.018 0.000 0.929 84 M CB 2.069 34.678 32.600 0.017 0.000 1.683 84 M HN 0.437 nan 8.290 nan 0.000 0.470 85 N N 2.054 120.772 118.700 0.029 0.000 2.354 85 N HA 0.516 5.256 4.740 0.000 0.000 0.246 85 N C 0.971 176.503 175.510 0.036 0.000 1.285 85 N CA -0.066 53.004 53.050 0.034 0.000 0.925 85 N CB 0.839 39.351 38.487 0.042 0.000 1.174 85 N HN 0.833 nan 8.380 nan 0.000 0.478 86 A N 0.243 123.083 122.820 0.034 0.000 1.986 86 A HA -0.146 4.174 4.320 0.000 0.000 0.220 86 A C 2.025 179.633 177.584 0.039 0.000 1.171 86 A CA 1.508 53.563 52.037 0.030 0.000 0.640 86 A CB -1.023 17.992 19.000 0.024 0.000 0.811 86 A HN 0.510 nan 8.150 nan 0.000 0.451 87 V N -0.588 119.360 119.914 0.056 0.000 2.323 87 V HA -0.198 3.923 4.120 0.000 0.000 0.244 87 V C 2.582 178.723 176.094 0.079 0.000 1.041 87 V CA 1.923 64.270 62.300 0.077 0.000 1.025 87 V CB -0.517 31.375 31.823 0.116 0.000 0.656 87 V HN 0.401 nan 8.190 nan 0.000 0.451 88 V N -0.243 119.713 119.914 0.070 0.000 2.358 88 V HA -0.238 3.882 4.120 0.000 0.000 0.246 88 V C 2.521 178.640 176.094 0.042 0.000 1.047 88 V CA 1.950 64.284 62.300 0.058 0.000 1.035 88 V CB -0.844 31.006 31.823 0.044 0.000 0.658 88 V HN 0.428 nan 8.190 nan 0.000 0.452 89 R N 0.133 120.654 120.500 0.034 0.000 2.105 89 R HA -0.207 4.134 4.340 0.000 0.000 0.239 89 R C 2.272 178.586 176.300 0.022 0.000 1.135 89 R CA 1.931 58.045 56.100 0.024 0.000 0.967 89 R CB -0.435 29.877 30.300 0.019 0.000 0.861 89 R HN 0.599 nan 8.270 nan 0.000 0.442 90 N N 0.567 119.284 118.700 0.028 0.000 2.106 90 N HA -0.126 4.615 4.740 0.000 0.000 0.188 90 N C 1.168 176.694 175.510 0.028 0.000 1.029 90 N CA 1.550 54.614 53.050 0.024 0.000 0.848 90 N CB -0.068 38.434 38.487 0.025 0.000 1.007 90 N HN 0.220 nan 8.380 nan 0.000 0.423 91 N N -0.675 118.052 118.700 0.045 0.000 2.309 91 N HA -0.023 4.717 4.740 0.000 0.000 0.182 91 N C 0.947 176.479 175.510 0.037 0.000 1.018 91 N CA 0.530 53.611 53.050 0.052 0.000 0.876 91 N CB 0.055 38.590 38.487 0.080 0.000 0.972 91 N HN 0.250 nan 8.380 nan 0.000 0.434 92 L N 0.434 121.674 121.223 0.027 0.000 2.558 92 L HA 0.192 4.533 4.340 0.000 0.000 0.225 92 L C 0.051 176.927 176.870 0.008 0.000 1.128 92 L CA -0.044 54.806 54.840 0.017 0.000 0.868 92 L CB 0.104 42.172 42.059 0.015 0.000 1.006 92 L HN 0.092 nan 8.230 nan 0.000 0.454 93 R N 0.215 120.719 120.500 0.007 0.000 3.267 93 R HA -0.121 4.220 4.340 0.000 0.000 0.254 93 R C -0.713 175.586 176.300 -0.002 0.000 0.993 93 R CA 0.705 56.804 56.100 -0.003 0.000 0.670 93 R CB -2.627 27.665 30.300 -0.015 0.000 1.125 93 R HN 0.279 nan 8.270 nan 0.000 0.434 94 V N -2.423 117.493 119.914 0.004 0.000 2.656 94 V HA 0.722 4.842 4.120 0.000 0.000 0.307 94 V C 0.549 176.646 176.094 0.005 0.000 1.051 94 V CA -1.385 60.918 62.300 0.005 0.000 0.893 94 V CB 2.736 34.564 31.823 0.008 0.000 0.999 94 V HN 0.130 nan 8.190 nan 0.000 0.426 95 R N 2.682 123.184 120.500 0.003 0.000 2.560 95 R HA 0.661 5.001 4.340 0.000 0.000 0.270 95 R C -0.523 175.780 176.300 0.006 0.000 1.074 95 R CA -0.620 55.482 56.100 0.004 0.000 1.140 95 R CB 0.576 30.877 30.300 0.002 0.000 1.073 95 R HN 0.777 nan 8.270 nan 0.000 0.527 96 L N 1.681 122.907 121.223 0.006 0.000 2.578 96 L HA 0.079 4.419 4.340 0.000 0.000 0.279 96 L C 1.406 178.279 176.870 0.005 0.000 1.227 96 L CA 1.666 56.510 54.840 0.006 0.000 0.900 96 L CB 0.170 42.233 42.059 0.006 0.000 1.144 96 L HN 0.910 nan 8.230 nan 0.000 0.496 97 G N 1.063 109.867 108.800 0.006 0.000 2.142 97 G HA2 -0.197 3.764 3.960 0.000 0.000 0.225 97 G HA3 -0.197 3.764 3.960 0.000 0.000 0.225 97 G C -0.153 174.751 174.900 0.006 0.000 1.015 97 G CA -0.323 44.781 45.100 0.005 0.000 0.716 97 G HN 0.568 nan 8.290 nan 0.000 0.508 98 D N -0.312 120.093 120.400 0.007 0.000 2.217 98 D HA 0.564 5.205 4.640 0.000 0.000 0.248 98 D C 0.898 177.203 176.300 0.009 0.000 1.008 98 D CA 0.057 54.062 54.000 0.009 0.000 0.914 98 D CB 2.064 42.869 40.800 0.009 0.000 1.182 98 D HN 0.683 nan 8.370 nan 0.000 0.451 99 V N -0.467 119.454 119.914 0.011 0.000 2.546 99 V HA 0.661 4.781 4.120 0.000 0.000 0.284 99 V C 0.064 176.165 176.094 0.012 0.000 1.050 99 V CA -0.590 61.717 62.300 0.011 0.000 0.981 99 V CB 0.543 32.373 31.823 0.012 0.000 0.990 99 V HN 0.447 nan 8.190 nan 0.000 0.474 100 I N 1.561 122.136 120.570 0.009 0.000 2.828 100 I HA 0.782 4.952 4.170 0.000 0.000 0.302 100 I C -0.114 176.005 176.117 0.004 0.000 1.101 100 I CA -0.699 60.605 61.300 0.007 0.000 1.031 100 I CB 2.245 40.247 38.000 0.004 0.000 1.231 100 I HN 0.463 nan 8.210 nan 0.000 0.427 101 S N 4.721 120.424 115.700 0.004 0.000 2.475 101 S HA 0.572 5.042 4.470 0.000 0.000 0.281 101 S C -0.297 174.297 174.600 -0.010 0.000 1.198 101 S CA -0.349 57.851 58.200 0.000 0.000 1.063 101 S CB 0.528 63.732 63.200 0.006 0.000 0.972 101 S HN 0.632 nan 8.310 nan 0.000 0.486 102 I N 3.367 123.928 120.570 -0.015 0.000 2.353 102 I HA 0.370 4.541 4.170 0.000 0.000 0.293 102 I C -0.314 175.784 176.117 -0.031 0.000 0.992 102 I CA -0.337 60.947 61.300 -0.026 0.000 1.268 102 I CB 1.079 39.063 38.000 -0.027 0.000 1.387 102 I HN 0.556 nan 8.210 nan 0.000 0.478 103 Q N 8.693 128.469 119.800 -0.041 0.000 2.356 103 Q HA 0.536 4.876 4.340 0.000 0.000 0.270 103 Q C -2.557 173.409 176.000 -0.057 0.000 1.058 103 Q CA -2.149 53.629 55.803 -0.042 0.000 0.802 103 Q CB 2.343 31.061 28.738 -0.034 0.000 1.303 103 Q HN 0.323 nan 8.270 nan 0.000 0.444 104 P HA -0.031 nan 4.420 nan 0.000 0.264 104 P C -0.716 176.551 177.300 -0.055 0.000 1.193 104 P CA 0.107 63.167 63.100 -0.066 0.000 0.763 104 P CB 0.528 32.184 31.700 -0.073 0.000 0.810 105 C N 6.689 125.951 119.300 -0.062 0.000 3.414 105 C HA 0.349 4.809 4.460 0.000 0.000 0.208 105 C C -1.499 173.468 174.990 -0.038 0.000 1.422 105 C CA -1.663 57.321 59.018 -0.057 0.000 1.437 105 C CB -0.554 27.113 27.740 -0.122 0.000 1.850 105 C HN 0.435 nan 8.230 nan 0.000 0.481 106 P HA 0.091 nan 4.420 nan 0.000 0.236 106 P C 0.193 177.484 177.300 -0.015 0.000 1.177 106 P CA 1.066 64.153 63.100 -0.021 0.000 0.773 106 P CB 0.002 31.694 31.700 -0.014 0.000 0.878 107 D N 0.568 120.975 120.400 0.012 0.000 2.741 107 D HA 0.152 4.792 4.640 0.000 0.000 0.233 107 D C -0.598 175.737 176.300 0.058 0.000 1.160 107 D CA 0.134 54.150 54.000 0.027 0.000 1.003 107 D CB 0.207 41.033 40.800 0.043 0.000 1.064 107 D HN -0.068 nan 8.370 nan 0.000 0.503 108 V N 2.167 122.080 119.914 -0.001 0.000 2.349 108 V HA 0.224 4.344 4.120 0.000 0.000 0.284 108 V C 0.320 176.329 176.094 -0.142 0.000 1.014 108 V CA -0.993 61.309 62.300 0.003 0.000 0.826 108 V CB 1.730 33.555 31.823 0.004 0.000 1.009 108 V HN -0.014 nan 8.190 nan 0.000 0.431 109 K N 3.177 123.519 120.400 -0.097 0.000 2.185 109 K HA 0.483 4.804 4.320 0.000 0.000 0.271 109 K C -0.610 175.909 176.600 -0.135 0.000 1.013 109 K CA -0.244 55.961 56.287 -0.137 0.000 0.943 109 K CB 0.394 32.881 32.500 -0.021 0.000 0.998 109 K HN 0.526 nan 8.250 nan 0.000 0.468 110 Y N 0.564 120.900 120.300 0.060 0.000 2.569 110 Y HA 0.142 4.692 4.550 0.001 0.000 0.332 110 Y C 1.436 177.354 175.900 0.032 0.000 1.120 110 Y CA -0.064 58.073 58.100 0.062 0.000 1.416 110 Y CB 0.192 38.700 38.460 0.079 0.000 1.210 110 Y HN 0.617 nan 8.280 nan 0.000 0.528 111 G N 2.586 111.473 108.800 0.145 0.000 2.483 111 G HA2 0.254 4.214 3.960 0.000 0.000 0.248 111 G HA3 0.254 4.214 3.960 0.000 0.000 0.248 111 G C 0.297 175.232 174.900 0.057 0.000 1.248 111 G CA -0.586 44.558 45.100 0.074 0.000 0.838 111 G HN 0.648 nan 8.290 nan 0.000 0.566 112 K N -0.257 120.166 120.400 0.039 0.000 2.412 112 K HA 0.215 4.535 4.320 0.000 0.000 0.202 112 K C 0.735 177.340 176.600 0.008 0.000 1.102 112 K CA 0.284 56.581 56.287 0.017 0.000 1.027 112 K CB 0.800 33.317 32.500 0.028 0.000 0.931 112 K HN 0.431 nan 8.250 nan 0.000 0.557 113 R N 0.933 121.455 120.500 0.036 0.000 2.518 113 R HA 0.406 4.747 4.340 0.000 0.000 0.296 113 R C -1.158 175.205 176.300 0.106 0.000 1.080 113 R CA -0.447 55.710 56.100 0.094 0.000 0.922 113 R CB 1.333 31.727 30.300 0.157 0.000 1.184 113 R HN 0.059 nan 8.270 nan 0.000 0.445 114 I N -1.616 119.009 120.570 0.091 0.000 2.569 114 I HA 0.505 4.675 4.170 0.000 0.000 0.296 114 I C -0.774 175.472 176.117 0.214 0.000 1.028 114 I CA -0.905 60.468 61.300 0.121 0.000 1.082 114 I CB 2.124 40.143 38.000 0.032 0.000 1.264 114 I HN 0.537 nan 8.210 nan 0.000 0.429 115 H N 5.344 124.502 119.070 0.147 0.000 2.595 115 H HA 0.716 5.272 4.556 0.001 0.000 0.313 115 H C -1.079 174.356 175.328 0.177 0.000 1.023 115 H CA -0.700 55.445 56.048 0.161 0.000 1.218 115 H CB 1.427 31.247 29.762 0.096 0.000 1.403 115 H HN 0.680 nan 8.280 nan 0.000 0.477 116 V N 3.704 123.787 119.914 0.282 0.000 2.680 116 V HA 0.617 4.737 4.120 0.000 0.000 0.309 116 V C -0.861 175.428 176.094 0.324 0.000 1.052 116 V CA -0.947 61.558 62.300 0.340 0.000 0.908 116 V CB 1.945 34.003 31.823 0.392 0.000 1.001 116 V HN 0.607 nan 8.190 nan 0.000 0.431 117 L N 4.773 126.181 121.223 0.308 0.000 2.408 117 L HA 0.649 4.990 4.340 0.000 0.000 0.268 117 L C -2.521 174.382 176.870 0.055 0.000 0.986 117 L CA -1.791 53.175 54.840 0.210 0.000 0.820 117 L CB 3.331 45.486 42.059 0.161 0.000 1.303 117 L HN 0.507 nan 8.230 nan 0.000 0.411 118 P HA 0.262 nan 4.420 nan 0.000 0.276 118 P C -0.811 176.279 177.300 -0.349 0.000 1.252 118 P CA -0.287 62.459 63.100 -0.590 0.000 0.802 118 P CB 1.196 32.470 31.700 -0.709 0.000 1.035 119 I N 2.022 122.356 120.570 -0.394 0.000 2.315 119 I HA 0.057 4.227 4.170 0.000 0.000 0.291 119 I C 1.760 177.746 176.117 -0.218 0.000 1.006 119 I CA -0.201 60.950 61.300 -0.247 0.000 1.265 119 I CB 0.836 38.706 38.000 -0.217 0.000 1.387 119 I HN 0.399 nan 8.210 nan 0.000 0.475 120 D N 4.643 124.953 120.400 -0.151 0.000 2.170 120 D HA -0.328 4.313 4.640 0.000 0.000 0.193 120 D C 1.269 177.497 176.300 -0.119 0.000 1.004 120 D CA 2.085 56.012 54.000 -0.122 0.000 0.860 120 D CB -0.368 40.382 40.800 -0.083 0.000 0.931 120 D HN 0.689 nan 8.370 nan 0.000 0.448 121 D N 0.047 120.378 120.400 -0.114 0.000 2.317 121 D HA -0.110 4.530 4.640 0.000 0.000 0.211 121 D C 1.563 177.792 176.300 -0.118 0.000 0.966 121 D CA 1.532 55.472 54.000 -0.099 0.000 0.876 121 D CB -1.012 39.739 40.800 -0.081 0.000 0.927 121 D HN 0.430 nan 8.370 nan 0.000 0.519 122 T N -2.527 111.927 114.554 -0.166 0.000 3.244 122 T HA 0.317 4.667 4.350 0.000 0.000 0.254 122 T C 0.812 175.365 174.700 -0.244 0.000 1.024 122 T CA -0.361 61.620 62.100 -0.199 0.000 0.920 122 T CB 0.159 68.879 68.868 -0.246 0.000 1.042 122 T HN 0.001 nan 8.240 nan 0.000 0.572 123 V N 0.076 119.871 119.914 -0.198 0.000 3.537 123 V HA 0.301 4.422 4.120 0.000 0.000 0.315 123 V C -0.449 175.578 176.094 -0.112 0.000 1.541 123 V CA -0.475 61.707 62.300 -0.196 0.000 1.160 123 V CB 0.471 32.135 31.823 -0.265 0.000 0.998 123 V HN 0.479 nan 8.190 nan 0.000 0.473 124 E N 1.330 121.478 120.200 -0.087 0.000 2.299 124 E HA 0.513 4.864 4.350 0.000 0.000 0.272 124 E C 0.491 177.070 176.600 -0.035 0.000 1.043 124 E CA 0.908 57.275 56.400 -0.055 0.000 0.895 124 E CB 0.896 30.567 29.700 -0.048 0.000 1.011 124 E HN 0.641 nan 8.360 nan 0.000 0.432 125 G N 3.356 112.143 108.800 -0.022 0.000 3.039 125 G HA2 -0.178 3.783 3.960 0.000 0.000 0.686 125 G HA3 -0.178 3.783 3.960 0.000 0.000 0.686 125 G C -0.188 174.717 174.900 0.009 0.000 1.066 125 G CA -0.747 44.350 45.100 -0.005 0.000 0.774 125 G HN 0.781 nan 8.290 nan 0.000 0.591 126 I N 0.997 121.579 120.570 0.019 0.000 4.719 126 I HA -0.259 3.912 4.170 0.000 0.000 0.126 126 I C 1.610 177.762 176.117 0.058 0.000 1.154 126 I CA 2.056 63.379 61.300 0.038 0.000 2.669 126 I CB -0.484 37.541 38.000 0.041 0.000 1.842 126 I HN 1.024 nan 8.210 nan 0.000 0.327 127 T N 5.117 119.704 114.554 0.054 0.000 2.777 127 T HA 0.085 4.435 4.350 0.000 0.000 0.266 127 T C 1.769 176.538 174.700 0.115 0.000 1.040 127 T CA 1.408 63.553 62.100 0.075 0.000 1.141 127 T CB -0.536 68.367 68.868 0.058 0.000 0.868 127 T HN 1.299 nan 8.240 nan 0.000 0.444 128 G N 2.315 111.168 108.800 0.089 0.000 3.284 128 G HA2 -0.358 3.602 3.960 0.000 0.000 0.351 128 G HA3 -0.358 3.602 3.960 0.000 0.000 0.351 128 G C 0.248 175.208 174.900 0.100 0.000 1.232 128 G CA 0.759 45.910 45.100 0.086 0.000 1.001 128 G HN 0.706 nan 8.290 nan 0.000 0.639 129 N N 0.023 118.803 118.700 0.134 0.000 2.578 129 N HA 0.366 5.106 4.740 0.000 0.000 0.282 129 N C 1.042 176.699 175.510 0.246 0.000 1.119 129 N CA -0.153 52.998 53.050 0.168 0.000 0.948 129 N CB 1.485 40.062 38.487 0.149 0.000 1.546 129 N HN 0.273 nan 8.380 nan 0.000 0.525 130 L N 2.595 123.997 121.223 0.298 0.000 2.093 130 L HA 0.000 4.340 4.340 0.000 0.000 0.208 130 L C 2.125 179.250 176.870 0.424 0.000 1.085 130 L CA 1.169 56.267 54.840 0.430 0.000 0.755 130 L CB -0.353 41.929 42.059 0.371 0.000 0.904 130 L HN 0.531 nan 8.230 nan 0.000 0.435 131 F N 1.040 121.102 119.950 0.187 0.000 2.102 131 F HA -0.232 4.295 4.527 0.000 0.000 0.298 131 F C 2.536 178.398 175.800 0.104 0.000 1.105 131 F CA 1.700 59.773 58.000 0.122 0.000 1.239 131 F CB 0.144 39.187 39.000 0.072 0.000 0.991 131 F HN -0.011 nan 8.300 nan 0.000 0.474 132 E N 0.165 120.348 120.200 -0.027 0.000 2.028 132 E HA -0.126 4.225 4.350 0.000 0.000 0.190 132 E C 2.090 178.581 176.600 -0.181 0.000 0.984 132 E CA 1.789 58.094 56.400 -0.159 0.000 0.800 132 E CB -0.484 29.225 29.700 0.015 0.000 0.758 132 E HN 0.272 nan 8.360 nan 0.000 0.448 133 V N -0.212 119.628 119.914 -0.124 0.000 2.453 133 V HA -0.171 3.949 4.120 0.000 0.000 0.247 133 V C 1.467 177.252 176.094 -0.515 0.000 1.048 133 V CA 1.727 63.826 62.300 -0.336 0.000 1.049 133 V CB -0.443 31.129 31.823 -0.418 0.000 0.672 133 V HN 0.292 nan 8.190 nan 0.000 0.457 134 Y N -1.328 118.965 120.300 -0.012 0.000 2.569 134 Y HA 0.275 4.826 4.550 0.001 0.000 0.278 134 Y C 1.989 177.825 175.900 -0.107 0.000 1.130 134 Y CA 0.225 58.322 58.100 -0.005 0.000 1.280 134 Y CB -0.257 38.294 38.460 0.152 0.000 1.379 134 Y HN -0.028 nan 8.280 nan 0.000 0.508 135 L N 0.296 121.513 121.223 -0.010 0.000 2.095 135 L HA -0.111 4.229 4.340 0.000 0.000 0.204 135 L C 2.419 179.274 176.870 -0.027 0.000 1.080 135 L CA 1.343 56.166 54.840 -0.028 0.000 0.759 135 L CB -0.355 41.760 42.059 0.094 0.000 0.914 135 L HN 0.113 nan 8.230 nan 0.000 0.439 136 K N 0.231 120.389 120.400 -0.402 0.000 2.032 136 K HA -0.157 4.163 4.320 0.000 0.000 0.209 136 K C -0.590 175.914 176.600 -0.160 0.000 1.048 136 K CA 1.542 57.576 56.287 -0.422 0.000 0.927 136 K CB -0.750 31.294 32.500 -0.761 0.000 0.712 136 K HN 0.218 nan 8.250 nan 0.000 0.441 137 P HA -0.154 nan 4.420 nan 0.000 0.223 137 P C 0.962 178.235 177.300 -0.046 0.000 1.151 137 P CA 1.021 64.072 63.100 -0.082 0.000 0.787 137 P CB -0.085 31.564 31.700 -0.084 0.000 0.788 138 Y N -0.372 119.804 120.300 -0.207 0.000 2.286 138 Y HA -0.028 4.522 4.550 0.000 0.000 0.293 138 Y C 1.736 177.382 175.900 -0.423 0.000 1.124 138 Y CA 1.460 59.356 58.100 -0.340 0.000 1.178 138 Y CB -0.447 37.737 38.460 -0.460 0.000 1.010 138 Y HN -0.264 nan 8.280 nan 0.000 0.536 139 F N -0.896 118.986 119.950 -0.113 0.000 2.678 139 F HA 0.167 4.694 4.527 0.000 0.000 0.291 139 F C 0.484 176.173 175.800 -0.185 0.000 1.123 139 F CA -0.399 57.487 58.000 -0.190 0.000 1.395 139 F CB -0.456 38.495 39.000 -0.080 0.000 1.121 139 F HN -0.189 nan 8.300 nan 0.000 0.592 140 L N 2.332 123.564 121.223 0.014 0.000 2.737 140 L HA -0.098 4.242 4.340 0.000 0.000 0.275 140 L C 1.021 177.845 176.870 -0.077 0.000 1.179 140 L CA 0.236 55.050 54.840 -0.043 0.000 0.970 140 L CB -0.397 41.630 42.059 -0.054 0.000 1.268 140 L HN 0.311 nan 8.230 nan 0.000 0.485 141 E N 1.785 121.904 120.200 -0.134 0.000 3.680 141 E HA -0.362 3.988 4.350 0.000 0.000 0.309 141 E C 1.232 177.782 176.600 -0.084 0.000 0.793 141 E CA 1.161 57.467 56.400 -0.156 0.000 1.083 141 E CB -1.608 28.070 29.700 -0.037 0.000 1.548 141 E HN 0.852 nan 8.360 nan 0.000 0.456 142 A N -0.287 122.481 122.820 -0.087 0.000 2.119 142 A HA -0.015 4.305 4.320 0.000 0.000 0.217 142 A C 0.559 178.206 177.584 0.106 0.000 1.153 142 A CA 0.945 52.971 52.037 -0.019 0.000 0.692 142 A CB -0.459 18.464 19.000 -0.128 0.000 0.799 142 A HN 0.351 nan 8.150 nan 0.000 0.458 143 Y N -0.487 119.840 120.300 0.045 0.000 3.037 143 Y HA -0.226 4.325 4.550 0.000 0.000 0.204 143 Y C 0.598 176.532 175.900 0.057 0.000 1.275 143 Y CA 0.523 58.670 58.100 0.079 0.000 1.066 143 Y CB -1.764 36.755 38.460 0.099 0.000 1.305 143 Y HN 0.380 nan 8.280 nan 0.000 0.499 144 R N 2.011 122.600 120.500 0.149 0.000 2.347 144 R HA 0.204 4.544 4.340 0.000 0.000 0.304 144 R C -2.263 174.101 176.300 0.106 0.000 1.072 144 R CA -1.511 54.651 56.100 0.103 0.000 0.980 144 R CB 0.472 30.846 30.300 0.123 0.000 0.986 144 R HN 0.039 nan 8.270 nan 0.000 0.448 145 P HA 0.179 nan 4.420 nan 0.000 0.287 145 P C -0.742 176.596 177.300 0.063 0.000 1.281 145 P CA -0.196 62.936 63.100 0.053 0.000 0.781 145 P CB 0.616 32.322 31.700 0.009 0.000 0.903 146 I N -0.218 120.407 120.570 0.093 0.000 2.686 146 I HA 0.648 4.818 4.170 0.000 0.000 0.295 146 I C -0.379 175.836 176.117 0.162 0.000 1.114 146 I CA -1.372 59.999 61.300 0.118 0.000 1.038 146 I CB 2.965 41.045 38.000 0.133 0.000 1.238 146 I HN 0.081 nan 8.210 nan 0.000 0.420 147 R N 2.797 123.402 120.500 0.173 0.000 2.643 147 R HA 0.424 4.764 4.340 0.000 0.000 0.272 147 R C -0.408 176.010 176.300 0.196 0.000 0.995 147 R CA -1.049 55.180 56.100 0.216 0.000 1.032 147 R CB 1.646 32.059 30.300 0.190 0.000 1.126 147 R HN 0.717 nan 8.270 nan 0.000 0.505 148 K N 0.446 120.950 120.400 0.174 0.000 2.451 148 K HA 0.004 4.324 4.320 0.000 0.000 0.280 148 K C 0.505 177.183 176.600 0.131 0.000 1.020 148 K CA 1.503 57.873 56.287 0.138 0.000 1.008 148 K CB 0.309 32.866 32.500 0.094 0.000 0.917 148 K HN 0.817 nan 8.250 nan 0.000 0.478 149 G N 3.043 111.922 108.800 0.131 0.000 2.175 149 G HA2 -0.218 3.742 3.960 0.000 0.000 0.244 149 G HA3 -0.218 3.742 3.960 0.000 0.000 0.244 149 G C -0.428 174.549 174.900 0.129 0.000 0.982 149 G CA 0.090 45.254 45.100 0.108 0.000 0.641 149 G HN 0.716 nan 8.290 nan 0.000 0.527 150 D N 0.539 121.050 120.400 0.185 0.000 2.450 150 D HA 0.416 5.056 4.640 0.000 0.000 0.247 150 D C 0.626 177.083 176.300 0.261 0.000 1.162 150 D CA 0.323 54.462 54.000 0.231 0.000 0.879 150 D CB 0.603 41.581 40.800 0.296 0.000 1.163 150 D HN 0.299 nan 8.370 nan 0.000 0.472 151 I N 4.494 125.173 120.570 0.181 0.000 2.306 151 I HA 0.249 4.419 4.170 0.000 0.000 0.288 151 I C -0.245 175.963 176.117 0.151 0.000 1.036 151 I CA -0.782 60.575 61.300 0.094 0.000 1.221 151 I CB 0.037 38.048 38.000 0.019 0.000 1.385 151 I HN 0.133 nan 8.210 nan 0.000 0.472 152 F N 5.798 125.794 119.950 0.076 0.000 2.522 152 F HA 0.835 5.362 4.527 0.000 0.000 0.324 152 F C -1.131 174.660 175.800 -0.014 0.000 1.077 152 F CA -1.520 56.498 58.000 0.030 0.000 0.944 152 F CB 1.014 40.032 39.000 0.030 0.000 1.175 152 F HN 0.209 nan 8.300 nan 0.000 0.468 153 L N 3.421 124.698 121.223 0.090 0.000 2.325 153 L HA 0.795 5.136 4.340 0.000 0.000 0.279 153 L C -1.087 175.780 176.870 -0.004 0.000 1.054 153 L CA -0.620 54.223 54.840 0.004 0.000 0.804 153 L CB 1.707 43.779 42.059 0.021 0.000 1.200 153 L HN 0.653 nan 8.230 nan 0.000 0.436 154 V N 4.883 124.810 119.914 0.022 0.000 2.638 154 V HA 0.579 4.699 4.120 0.000 0.000 0.306 154 V C -0.452 175.765 176.094 0.206 0.000 1.052 154 V CA -0.836 61.499 62.300 0.059 0.000 0.885 154 V CB 1.865 33.704 31.823 0.028 0.000 0.999 154 V HN 0.685 nan 8.190 nan 0.000 0.424 155 R N 2.777 123.390 120.500 0.188 0.000 2.368 155 R HA 0.733 5.073 4.340 0.000 0.000 0.302 155 R C 0.166 176.569 176.300 0.171 0.000 1.002 155 R CA -0.543 55.666 56.100 0.182 0.000 0.929 155 R CB 1.777 32.140 30.300 0.105 0.000 1.073 155 R HN 0.908 nan 8.270 nan 0.000 0.464 156 G N 0.970 109.878 108.800 0.180 0.000 2.770 156 G HA2 0.439 4.399 3.960 0.000 0.000 0.298 156 G HA3 0.439 4.399 3.960 0.000 0.000 0.298 156 G C 0.482 175.347 174.900 -0.058 0.000 1.534 156 G CA 0.042 45.070 45.100 -0.120 0.000 1.046 156 G HN 0.816 nan 8.290 nan 0.000 0.548 157 G N 3.169 111.944 108.800 -0.042 0.000 2.677 157 G HA2 -0.397 3.563 3.960 0.000 0.000 0.321 157 G HA3 -0.397 3.563 3.960 0.000 0.000 0.321 157 G C 1.849 176.764 174.900 0.026 0.000 1.181 157 G CA 2.143 47.232 45.100 -0.018 0.000 0.965 157 G HN 1.682 nan 8.290 nan 0.000 0.548 158 M N 0.751 120.375 119.600 0.039 0.000 2.089 158 M HA 0.045 4.525 4.480 0.000 0.000 0.257 158 M C 1.400 177.736 176.300 0.060 0.000 1.071 158 M CA 2.922 58.252 55.300 0.049 0.000 1.096 158 M CB -0.539 32.093 32.600 0.054 0.000 1.330 158 M HN 1.005 nan 8.290 nan 0.000 0.403 159 R N -0.106 120.455 120.500 0.102 0.000 2.762 159 R HA 0.818 5.158 4.340 0.000 0.000 0.271 159 R C -1.941 174.446 176.300 0.145 0.000 1.038 159 R CA -0.629 55.524 56.100 0.087 0.000 0.906 159 R CB 0.973 31.297 30.300 0.041 0.000 1.259 159 R HN 0.106 nan 8.270 nan 0.000 0.457 160 A N 0.955 123.817 122.820 0.070 0.000 2.324 160 A HA 0.666 4.986 4.320 0.000 0.000 0.330 160 A C -0.740 176.795 177.584 -0.082 0.000 1.165 160 A CA -0.755 51.316 52.037 0.058 0.000 0.813 160 A CB 1.681 20.707 19.000 0.042 0.000 1.197 160 A HN 0.359 nan 8.150 nan 0.000 0.484 161 V N 2.021 121.831 119.914 -0.173 0.000 2.555 161 V HA 0.360 4.480 4.120 0.000 0.000 0.302 161 V C 0.012 175.873 176.094 -0.388 0.000 1.038 161 V CA -0.593 61.453 62.300 -0.424 0.000 0.887 161 V CB 1.648 32.967 31.823 -0.839 0.000 0.991 161 V HN 1.006 nan 8.190 nan 0.000 0.434 162 E N 2.598 122.511 120.200 -0.478 0.000 2.249 162 E HA 0.591 4.942 4.350 0.000 0.000 0.280 162 E C -1.582 174.594 176.600 -0.708 0.000 1.016 162 E CA -0.221 55.924 56.400 -0.426 0.000 0.830 162 E CB 1.415 30.950 29.700 -0.275 0.000 1.081 162 E HN 0.515 nan 8.360 nan 0.000 0.395 163 F N 1.645 121.230 119.950 -0.608 0.000 2.551 163 F HA 0.375 4.902 4.527 0.000 0.000 0.316 163 F C 0.157 175.628 175.800 -0.549 0.000 1.089 163 F CA -0.929 56.682 58.000 -0.647 0.000 0.915 163 F CB 1.710 40.103 39.000 -1.012 0.000 1.186 163 F HN 0.131 nan 8.300 nan 0.000 0.456 164 K N 1.996 122.364 120.400 -0.053 0.000 2.182 164 K HA 0.632 4.952 4.320 0.000 0.000 0.262 164 K C -1.363 175.356 176.600 0.199 0.000 0.957 164 K CA -0.596 55.725 56.287 0.056 0.000 0.842 164 K CB 1.657 34.181 32.500 0.039 0.000 1.099 164 K HN 0.504 nan 8.250 nan 0.000 0.438 165 V N 5.636 125.720 119.914 0.284 0.000 2.372 165 V HA 0.026 4.146 4.120 0.000 0.000 0.261 165 V C 1.057 177.274 176.094 0.205 0.000 1.055 165 V CA -0.265 62.226 62.300 0.317 0.000 0.930 165 V CB 0.905 32.939 31.823 0.350 0.000 1.031 165 V HN 0.698 nan 8.190 nan 0.000 0.479 166 V N 3.189 123.219 119.914 0.194 0.000 2.725 166 V HA 0.115 4.236 4.120 0.000 0.000 0.247 166 V C 0.732 176.864 176.094 0.064 0.000 1.058 166 V CA 0.954 63.315 62.300 0.101 0.000 1.080 166 V CB -0.047 31.807 31.823 0.052 0.000 0.713 166 V HN 0.857 nan 8.190 nan 0.000 0.465 167 E N -0.316 119.952 120.200 0.114 0.000 2.390 167 E HA 0.554 4.904 4.350 0.000 0.000 0.277 167 E C -0.663 176.006 176.600 0.115 0.000 0.939 167 E CA -0.275 56.175 56.400 0.083 0.000 0.769 167 E CB 2.207 31.935 29.700 0.047 0.000 1.251 167 E HN 0.320 nan 8.360 nan 0.000 0.450 168 T N -0.149 114.451 114.554 0.077 0.000 2.887 168 T HA 0.428 4.778 4.350 0.000 0.000 0.292 168 T C 0.253 174.979 174.700 0.043 0.000 1.087 168 T CA -0.647 61.493 62.100 0.068 0.000 1.009 168 T CB 1.599 70.505 68.868 0.063 0.000 1.203 168 T HN 0.335 nan 8.240 nan 0.000 0.518 169 D N 0.642 121.065 120.400 0.039 0.000 2.154 169 D HA 0.213 4.853 4.640 0.000 0.000 0.211 169 D C -1.585 174.720 176.300 0.008 0.000 0.977 169 D CA 0.442 54.460 54.000 0.030 0.000 0.869 169 D CB -1.170 39.654 40.800 0.039 0.000 1.022 169 D HN 0.455 nan 8.370 nan 0.000 0.461 170 P HA 0.163 nan 4.420 nan 0.000 0.272 170 P C 0.575 177.826 177.300 -0.082 0.000 1.223 170 P CA -0.062 63.013 63.100 -0.042 0.000 0.784 170 P CB 1.144 32.816 31.700 -0.046 0.000 0.923 171 S N 2.631 118.258 115.700 -0.122 0.000 2.404 171 S HA -0.161 4.309 4.470 0.000 0.000 0.230 171 S C -0.716 173.800 174.600 -0.141 0.000 1.046 171 S CA 2.117 60.242 58.200 -0.126 0.000 1.135 171 S CB -1.746 61.378 63.200 -0.127 0.000 1.056 171 S HN 0.626 nan 8.310 nan 0.000 0.426 172 P HA 0.239 nan 4.420 nan 0.000 0.233 172 P C -0.504 176.767 177.300 -0.048 0.000 1.157 172 P CA 0.424 63.417 63.100 -0.179 0.000 0.876 172 P CB 0.222 31.790 31.700 -0.220 0.000 0.947 173 Y N -0.802 119.512 120.300 0.024 0.000 2.534 173 Y HA 0.675 5.225 4.550 0.000 0.000 0.345 173 Y C -0.589 175.315 175.900 0.008 0.000 1.031 173 Y CA -2.125 55.988 58.100 0.022 0.000 1.022 173 Y CB 0.548 39.020 38.460 0.020 0.000 1.292 173 Y HN 0.050 nan 8.280 nan 0.000 0.459 174 C N 0.726 120.147 119.300 0.201 0.000 3.239 174 C HA 0.794 5.255 4.460 0.000 0.000 0.317 174 C C -0.772 174.269 174.990 0.085 0.000 1.310 174 C CA -1.210 57.873 59.018 0.108 0.000 1.371 174 C CB 0.810 28.587 27.740 0.062 0.000 1.714 174 C HN 0.981 nan 8.230 nan 0.000 0.473 175 I N 2.239 122.839 120.570 0.050 0.000 2.416 175 I HA 0.250 4.420 4.170 0.000 0.000 0.288 175 I C 0.193 176.388 176.117 0.131 0.000 1.051 175 I CA -0.068 61.289 61.300 0.094 0.000 1.375 175 I CB 1.415 39.458 38.000 0.072 0.000 1.407 175 I HN 0.572 nan 8.210 nan 0.000 0.516 176 V N 7.836 127.783 119.914 0.054 0.000 2.287 176 V HA 0.217 4.337 4.120 0.000 0.000 0.246 176 V C 0.918 176.971 176.094 -0.069 0.000 1.165 176 V CA -0.353 61.890 62.300 -0.094 0.000 1.088 176 V CB -0.292 31.284 31.823 -0.411 0.000 1.242 176 V HN 0.833 nan 8.190 nan 0.000 0.497 177 A N 7.808 130.627 122.820 -0.001 0.000 2.313 177 A HA 0.552 4.872 4.320 0.000 0.000 0.261 177 A C -0.540 176.883 177.584 -0.268 0.000 1.090 177 A CA -1.262 50.654 52.037 -0.200 0.000 0.807 177 A CB -0.016 18.977 19.000 -0.011 0.000 1.055 177 A HN 0.579 nan 8.150 nan 0.000 0.492 178 P HA -0.166 nan 4.420 nan 0.000 0.222 178 P C 0.141 177.370 177.300 -0.117 0.000 1.142 178 P CA 1.647 64.631 63.100 -0.193 0.000 0.788 178 P CB -0.060 31.534 31.700 -0.177 0.000 0.767 179 D N -0.930 119.401 120.400 -0.114 0.000 2.178 179 D HA -0.066 4.574 4.640 0.000 0.000 0.202 179 D C 0.364 176.623 176.300 -0.068 0.000 0.974 179 D CA 0.919 54.873 54.000 -0.075 0.000 0.841 179 D CB -0.683 40.081 40.800 -0.061 0.000 0.953 179 D HN 0.166 nan 8.370 nan 0.000 0.478 180 T N 1.076 115.580 114.554 -0.083 0.000 2.853 180 T HA 0.184 4.534 4.350 0.000 0.000 0.298 180 T C 0.246 174.867 174.700 -0.132 0.000 0.978 180 T CA -0.393 61.648 62.100 -0.099 0.000 1.152 180 T CB 1.339 70.122 68.868 -0.141 0.000 0.914 180 T HN -0.214 nan 8.240 nan 0.000 0.539 181 V N 5.413 125.233 119.914 -0.156 0.000 2.455 181 V HA 0.197 4.317 4.120 0.000 0.000 0.273 181 V C 0.510 176.398 176.094 -0.344 0.000 1.045 181 V CA -0.333 61.792 62.300 -0.292 0.000 0.976 181 V CB 0.184 31.794 31.823 -0.355 0.000 0.993 181 V HN 0.765 nan 8.190 nan 0.000 0.475 182 I N 5.754 126.110 120.570 -0.358 0.000 2.316 182 I HA 0.252 4.422 4.170 0.000 0.000 0.286 182 I C 0.390 176.315 176.117 -0.320 0.000 1.107 182 I CA -0.260 60.910 61.300 -0.216 0.000 1.219 182 I CB -0.187 37.855 38.000 0.070 0.000 1.455 182 I HN 0.566 nan 8.210 nan 0.000 0.498 183 H N 4.638 123.610 119.070 -0.163 0.000 2.848 183 H HA 0.087 4.643 4.556 0.001 0.000 0.317 183 H C 0.700 175.873 175.328 -0.260 0.000 1.046 183 H CA -0.031 55.874 56.048 -0.239 0.000 1.470 183 H CB 1.294 30.899 29.762 -0.261 0.000 1.483 183 H HN 0.820 nan 8.280 nan 0.000 0.548 184 C N 0.671 119.920 119.300 -0.086 0.000 3.772 184 C HA 0.196 4.656 4.460 0.000 0.000 0.293 184 C C 0.109 175.093 174.990 -0.009 0.000 1.659 184 C CA -0.809 58.198 59.018 -0.018 0.000 1.810 184 C CB -0.903 26.937 27.740 0.167 0.000 3.059 184 C HN 0.704 nan 8.230 nan 0.000 0.617 185 E N 2.184 122.350 120.200 -0.057 0.000 2.437 185 E HA 0.524 4.875 4.350 0.000 0.000 0.263 185 E C 0.706 177.330 176.600 0.041 0.000 1.030 185 E CA 1.064 57.463 56.400 -0.001 0.000 0.934 185 E CB -0.151 29.553 29.700 0.007 0.000 0.943 185 E HN 1.302 nan 8.360 nan 0.000 0.444 186 G N 0.585 109.429 108.800 0.073 0.000 2.331 186 G HA2 0.105 4.065 3.960 0.000 0.000 0.402 186 G HA3 0.105 4.065 3.960 0.000 0.000 0.402 186 G C -1.279 173.664 174.900 0.072 0.000 1.275 186 G CA -0.755 44.407 45.100 0.103 0.000 1.003 186 G HN 0.652 nan 8.290 nan 0.000 0.500 187 E N 0.967 121.204 120.200 0.063 0.000 2.344 187 E HA 0.544 4.894 4.350 0.000 0.000 0.270 187 E C -2.020 174.592 176.600 0.019 0.000 1.021 187 E CA -1.173 55.245 56.400 0.030 0.000 0.887 187 E CB 0.712 30.424 29.700 0.019 0.000 0.997 187 E HN 0.291 nan 8.360 nan 0.000 0.429 188 P HA 0.005 nan 4.420 nan 0.000 0.267 188 P C -0.480 176.794 177.300 -0.043 0.000 1.209 188 P CA -0.062 63.012 63.100 -0.044 0.000 0.763 188 P CB 0.273 31.933 31.700 -0.067 0.000 0.816 189 I N 3.551 124.091 120.570 -0.050 0.000 2.742 189 I HA -0.063 4.108 4.170 0.000 0.000 0.287 189 I C 1.176 177.256 176.117 -0.061 0.000 1.186 189 I CA 0.464 61.737 61.300 -0.046 0.000 1.417 189 I CB -0.542 37.431 38.000 -0.045 0.000 1.377 189 I HN 0.310 nan 8.210 nan 0.000 0.556 190 K N 5.825 126.197 120.400 -0.047 0.000 2.451 190 K HA -0.030 4.290 4.320 0.000 0.000 0.280 190 K C 1.168 177.736 176.600 -0.054 0.000 1.020 190 K CA -0.186 56.071 56.287 -0.049 0.000 1.008 190 K CB 0.915 33.392 32.500 -0.038 0.000 0.917 190 K HN 0.336 nan 8.250 nan 0.000 0.478 191 R N 3.091 123.554 120.500 -0.061 0.000 2.105 191 R HA -0.188 4.152 4.340 0.000 0.000 0.239 191 R C 1.108 177.379 176.300 -0.049 0.000 1.135 191 R CA 1.863 57.926 56.100 -0.061 0.000 0.967 191 R CB 0.019 30.281 30.300 -0.064 0.000 0.861 191 R HN 0.680 nan 8.270 nan 0.000 0.442 192 E N -0.146 120.028 120.200 -0.043 0.000 2.153 192 E HA -0.184 4.167 4.350 0.000 0.000 0.194 192 E C 1.280 177.858 176.600 -0.037 0.000 0.988 192 E CA 1.305 57.682 56.400 -0.037 0.000 0.811 192 E CB -0.077 29.603 29.700 -0.033 0.000 0.746 192 E HN 0.464 nan 8.360 nan 0.000 0.466 193 D N 0.799 121.177 120.400 -0.037 0.000 2.097 193 D HA -0.139 4.501 4.640 0.000 0.000 0.195 193 D C 1.769 178.048 176.300 -0.036 0.000 0.989 193 D CA 0.919 54.898 54.000 -0.035 0.000 0.827 193 D CB -0.107 40.673 40.800 -0.033 0.000 0.966 193 D HN 0.102 nan 8.370 nan 0.000 0.456 194 E N 0.685 120.862 120.200 -0.038 0.000 2.285 194 E HA -0.072 4.278 4.350 0.000 0.000 0.194 194 E C 1.897 178.474 176.600 -0.037 0.000 0.997 194 E CA 0.344 56.722 56.400 -0.037 0.000 0.845 194 E CB 0.077 29.753 29.700 -0.040 0.000 0.782 194 E HN 0.409 nan 8.360 nan 0.000 0.491 195 E N 0.656 120.833 120.200 -0.039 0.000 2.107 195 E HA -0.162 4.188 4.350 0.000 0.000 0.191 195 E C 1.869 178.445 176.600 -0.040 0.000 0.982 195 E CA 0.653 57.030 56.400 -0.038 0.000 0.809 195 E CB 0.014 29.692 29.700 -0.037 0.000 0.756 195 E HN 0.215 nan 8.360 nan 0.000 0.459 196 E N 0.545 120.720 120.200 -0.040 0.000 2.268 196 E HA -0.072 4.278 4.350 0.000 0.000 0.195 196 E C 1.979 178.549 176.600 -0.050 0.000 0.995 196 E CA 0.735 57.109 56.400 -0.044 0.000 0.836 196 E CB 0.032 29.706 29.700 -0.042 0.000 0.763 196 E HN -0.039 nan 8.360 nan 0.000 0.491 197 S N -1.112 114.561 115.700 -0.045 0.000 2.421 197 S HA 0.114 4.585 4.470 0.000 0.000 0.224 197 S C 1.655 176.227 174.600 -0.045 0.000 1.035 197 S CA 0.093 58.266 58.200 -0.045 0.000 0.953 197 S CB -0.048 63.131 63.200 -0.035 0.000 0.810 197 S HN 0.242 nan 8.310 nan 0.000 0.497 198 L N 1.407 122.606 121.223 -0.040 0.000 2.046 198 L HA -0.006 4.335 4.340 0.000 0.000 0.208 198 L C 0.819 177.660 176.870 -0.048 0.000 1.077 198 L CA 1.144 55.961 54.840 -0.038 0.000 0.747 198 L CB -0.284 41.756 42.059 -0.032 0.000 0.896 198 L HN 0.227 nan 8.230 nan 0.000 0.432 199 N N -0.205 118.464 118.700 -0.052 0.000 2.378 199 N HA 0.054 4.795 4.740 0.000 0.000 0.243 199 N C -0.436 175.031 175.510 -0.071 0.000 1.137 199 N CA -0.008 53.006 53.050 -0.061 0.000 0.862 199 N CB 0.127 38.580 38.487 -0.056 0.000 1.116 199 N HN 0.237 nan 8.380 nan 0.000 0.499 200 E N 0.097 120.251 120.200 -0.077 0.000 2.398 200 E HA 0.072 4.422 4.350 0.000 0.000 0.263 200 E C -0.200 176.333 176.600 -0.112 0.000 1.046 200 E CA -0.130 56.212 56.400 -0.097 0.000 0.908 200 E CB 1.209 30.848 29.700 -0.102 0.000 0.963 200 E HN -0.041 nan 8.360 nan 0.000 0.431 201 V N 2.530 122.365 119.914 -0.132 0.000 2.614 201 V HA 0.316 4.436 4.120 0.000 0.000 0.291 201 V C 0.802 176.786 176.094 -0.184 0.000 1.049 201 V CA 0.205 62.422 62.300 -0.138 0.000 1.038 201 V CB 1.178 32.922 31.823 -0.131 0.000 0.980 201 V HN 0.788 nan 8.190 nan 0.000 0.481 202 G N 1.968 110.672 108.800 -0.161 0.000 3.140 202 G HA2 0.434 4.394 3.960 0.000 0.000 0.271 202 G HA3 0.434 4.394 3.960 0.000 0.000 0.271 202 G C -0.042 174.779 174.900 -0.132 0.000 1.370 202 G CA -0.477 44.489 45.100 -0.223 0.000 1.014 202 G HN 0.601 nan 8.290 nan 0.000 0.541 203 Y N -0.561 119.714 120.300 -0.041 0.000 2.352 203 Y HA -0.083 4.467 4.550 0.000 0.000 0.292 203 Y C 2.303 178.191 175.900 -0.020 0.000 1.136 203 Y CA 0.718 58.802 58.100 -0.025 0.000 1.227 203 Y CB 0.387 38.839 38.460 -0.013 0.000 0.991 203 Y HN 0.282 nan 8.280 nan 0.000 0.545 204 D N -0.147 120.322 120.400 0.115 0.000 2.269 204 D HA -0.137 4.503 4.640 0.000 0.000 0.208 204 D C 1.133 177.450 176.300 0.029 0.000 0.963 204 D CA 1.055 55.090 54.000 0.058 0.000 0.864 204 D CB -0.277 40.540 40.800 0.029 0.000 0.936 204 D HN 0.438 nan 8.370 nan 0.000 0.505 205 D N 0.030 120.438 120.400 0.012 0.000 2.349 205 D HA 0.017 4.657 4.640 0.000 0.000 0.224 205 D C 0.544 176.853 176.300 0.015 0.000 1.029 205 D CA 0.023 54.013 54.000 -0.017 0.000 0.879 205 D CB 0.814 41.583 40.800 -0.052 0.000 0.906 205 D HN 0.245 nan 8.370 nan 0.000 0.528 206 I N 0.240 120.841 120.570 0.052 0.000 2.382 206 I HA 0.452 4.623 4.170 0.000 0.000 0.286 206 I C -0.181 175.970 176.117 0.057 0.000 1.002 206 I CA -0.385 60.954 61.300 0.065 0.000 1.135 206 I CB 1.654 39.705 38.000 0.085 0.000 1.288 206 I HN -0.199 nan 8.210 nan 0.000 0.448 207 G N 3.981 112.814 108.800 0.054 0.000 2.432 207 G HA2 0.532 4.492 3.960 0.000 0.000 0.331 207 G HA3 0.532 4.492 3.960 0.000 0.000 0.331 207 G C 0.455 175.374 174.900 0.032 0.000 1.170 207 G CA -0.475 44.650 45.100 0.042 0.000 0.943 207 G HN 1.539 nan 8.290 nan 0.000 0.483 208 G N -1.151 107.661 108.800 0.021 0.000 2.153 208 G HA2 -0.279 3.681 3.960 0.000 0.000 0.252 208 G HA3 -0.279 3.681 3.960 0.000 0.000 0.252 208 G C 0.664 175.567 174.900 0.005 0.000 0.994 208 G CA 0.578 45.685 45.100 0.013 0.000 0.698 208 G HN 1.089 nan 8.290 nan 0.000 0.521 209 C N 0.028 119.330 119.300 0.003 0.000 2.976 209 C HA 0.364 4.824 4.460 0.000 0.000 0.274 209 C C 2.285 177.263 174.990 -0.019 0.000 1.487 209 C CA -0.111 58.903 59.018 -0.006 0.000 1.789 209 C CB -0.674 27.067 27.740 0.002 0.000 2.771 209 C HN 0.620 nan 8.230 nan 0.000 0.551 210 R N 2.401 122.890 120.500 -0.017 0.000 2.112 210 R HA -0.204 4.137 4.340 0.000 0.000 0.242 210 R C 2.264 178.545 176.300 -0.033 0.000 1.137 210 R CA 1.933 58.016 56.100 -0.028 0.000 0.944 210 R CB -0.136 30.154 30.300 -0.017 0.000 0.857 210 R HN 0.652 nan 8.270 nan 0.000 0.435 211 K N 0.253 120.641 120.400 -0.021 0.000 2.148 211 K HA -0.172 4.148 4.320 0.000 0.000 0.204 211 K C 1.883 178.472 176.600 -0.018 0.000 1.050 211 K CA 1.458 57.735 56.287 -0.016 0.000 0.942 211 K CB -0.115 32.380 32.500 -0.007 0.000 0.724 211 K HN 0.160 nan 8.250 nan 0.000 0.446 212 Q N 1.196 120.982 119.800 -0.023 0.000 2.123 212 Q HA 0.085 4.425 4.340 0.000 0.000 0.199 212 Q C 2.168 178.153 176.000 -0.026 0.000 0.966 212 Q CA 0.975 56.766 55.803 -0.020 0.000 0.845 212 Q CB -0.153 28.570 28.738 -0.026 0.000 0.907 212 Q HN 0.241 nan 8.270 nan 0.000 0.439 213 L N -0.067 121.123 121.223 -0.054 0.000 2.131 213 L HA -0.164 4.177 4.340 0.000 0.000 0.210 213 L C 2.297 179.092 176.870 -0.125 0.000 1.092 213 L CA 0.931 55.698 54.840 -0.121 0.000 0.759 213 L CB -0.539 41.409 42.059 -0.186 0.000 0.903 213 L HN 0.253 nan 8.230 nan 0.000 0.435 214 A N -0.524 122.251 122.820 -0.076 0.000 1.902 214 A HA -0.259 4.061 4.320 0.000 0.000 0.217 214 A C 2.220 179.796 177.584 -0.013 0.000 1.181 214 A CA 1.583 53.592 52.037 -0.045 0.000 0.623 214 A CB -0.441 18.544 19.000 -0.025 0.000 0.818 214 A HN 0.466 nan 8.150 nan 0.000 0.443 215 Q N -0.807 118.992 119.800 -0.001 0.000 2.124 215 Q HA -0.097 4.243 4.340 0.000 0.000 0.202 215 Q C 2.019 178.041 176.000 0.037 0.000 0.977 215 Q CA 1.452 57.270 55.803 0.025 0.000 0.850 215 Q CB -0.279 28.475 28.738 0.027 0.000 0.901 215 Q HN 0.746 nan 8.270 nan 0.000 0.429 216 I N 0.735 121.320 120.570 0.026 0.000 2.252 216 I HA -0.269 3.901 4.170 0.000 0.000 0.245 216 I C 2.120 178.273 176.117 0.060 0.000 1.102 216 I CA 1.152 62.485 61.300 0.056 0.000 1.385 216 I CB -0.107 37.938 38.000 0.075 0.000 1.064 216 I HN 0.082 nan 8.210 nan 0.000 0.414 217 K N 0.427 120.837 120.400 0.017 0.000 2.147 217 K HA -0.179 4.141 4.320 0.000 0.000 0.205 217 K C 1.933 178.586 176.600 0.088 0.000 1.049 217 K CA 1.278 57.591 56.287 0.043 0.000 0.936 217 K CB -0.115 32.380 32.500 -0.007 0.000 0.722 217 K HN 0.422 nan 8.250 nan 0.000 0.446 218 E N 0.314 120.565 120.200 0.084 0.000 2.072 218 E HA -0.064 4.287 4.350 0.000 0.000 0.190 218 E C 1.906 178.595 176.600 0.149 0.000 0.982 218 E CA 1.022 57.499 56.400 0.128 0.000 0.803 218 E CB 0.096 29.858 29.700 0.104 0.000 0.755 218 E HN 0.229 nan 8.360 nan 0.000 0.453 219 M N -0.389 119.268 119.600 0.094 0.000 2.476 219 M HA -0.033 4.447 4.480 0.000 0.000 0.262 219 M C 1.622 177.936 176.300 0.022 0.000 1.111 219 M CA 0.565 55.896 55.300 0.051 0.000 1.127 219 M CB 0.815 33.441 32.600 0.043 0.000 1.376 219 M HN -0.013 nan 8.290 nan 0.000 0.465 220 V N -1.819 118.134 119.914 0.064 0.000 2.950 220 V HA 0.047 4.168 4.120 0.000 0.000 0.231 220 V C 1.817 177.967 176.094 0.093 0.000 1.205 220 V CA 0.726 63.070 62.300 0.072 0.000 1.239 220 V CB -0.360 31.534 31.823 0.119 0.000 1.050 220 V HN 0.164 nan 8.190 nan 0.000 0.498 221 E N 0.729 121.003 120.200 0.123 0.000 2.046 221 E HA -0.160 4.190 4.350 0.000 0.000 0.190 221 E C 1.974 178.662 176.600 0.147 0.000 0.982 221 E CA 1.282 57.763 56.400 0.135 0.000 0.800 221 E CB -0.311 29.477 29.700 0.148 0.000 0.756 221 E HN 0.367 nan 8.360 nan 0.000 0.449 222 L N 0.520 121.856 121.223 0.188 0.000 2.017 222 L HA -0.076 4.264 4.340 0.000 0.000 0.208 222 L C -1.064 176.018 176.870 0.353 0.000 1.073 222 L CA 1.836 56.851 54.840 0.292 0.000 0.745 222 L CB -0.957 41.297 42.059 0.326 0.000 0.894 222 L HN 0.184 nan 8.230 nan 0.000 0.432 223 P HA -0.115 nan 4.420 nan 0.000 0.221 223 P C 1.863 179.194 177.300 0.052 0.000 1.150 223 P CA 1.377 64.445 63.100 -0.052 0.000 0.800 223 P CB 0.067 31.506 31.700 -0.437 0.000 0.787 224 L N -1.257 120.005 121.223 0.066 0.000 2.168 224 L HA 0.053 4.394 4.340 0.000 0.000 0.203 224 L C 2.450 179.331 176.870 0.017 0.000 1.078 224 L CA 1.100 55.975 54.840 0.058 0.000 0.780 224 L CB -0.288 41.808 42.059 0.062 0.000 0.939 224 L HN -0.198 nan 8.230 nan 0.000 0.451 225 R N -1.395 119.102 120.500 -0.005 0.000 2.300 225 R HA 0.099 4.439 4.340 0.000 0.000 0.199 225 R C -0.006 176.049 176.300 -0.409 0.000 0.920 225 R CA 0.311 56.307 56.100 -0.173 0.000 1.046 225 R CB 0.366 30.561 30.300 -0.175 0.000 0.984 225 R HN 0.332 nan 8.270 nan 0.000 0.493 226 H N 0.031 119.176 119.070 0.126 0.000 2.511 226 H HA 0.166 4.722 4.556 0.000 0.000 0.228 226 H C -1.975 173.489 175.328 0.227 0.000 1.424 226 H CA -1.662 54.471 56.048 0.141 0.000 1.321 226 H CB 1.280 31.116 29.762 0.123 0.000 1.720 226 H HN 0.029 nan 8.280 nan 0.000 0.512 227 P HA -0.045 nan 4.420 nan 0.000 0.226 227 P C 1.512 178.992 177.300 0.300 0.000 1.153 227 P CA 0.667 63.953 63.100 0.311 0.000 0.777 227 P CB 0.331 32.188 31.700 0.262 0.000 0.794 228 A N 0.532 123.490 122.820 0.229 0.000 1.940 228 A HA -0.172 4.148 4.320 0.000 0.000 0.219 228 A C 2.346 180.010 177.584 0.133 0.000 1.176 228 A CA 1.308 53.442 52.037 0.163 0.000 0.631 228 A CB -1.600 17.477 19.000 0.130 0.000 0.814 228 A HN 0.150 nan 8.150 nan 0.000 0.446 229 L N -2.035 119.261 121.223 0.120 0.000 1.989 229 L HA -0.221 4.119 4.340 0.000 0.000 0.211 229 L C 2.550 179.354 176.870 -0.110 0.000 1.071 229 L CA 1.794 56.593 54.840 -0.067 0.000 0.749 229 L CB -0.528 41.379 42.059 -0.253 0.000 0.890 229 L HN 0.462 nan 8.230 nan 0.000 0.431 230 F N -0.583 119.399 119.950 0.053 0.000 2.146 230 F HA -0.173 4.354 4.527 0.000 0.000 0.298 230 F C 2.634 178.457 175.800 0.039 0.000 1.096 230 F CA 1.060 59.087 58.000 0.044 0.000 1.275 230 F CB -0.374 38.654 39.000 0.047 0.000 1.008 230 F HN -0.103 nan 8.300 nan 0.000 0.480 231 K N 0.831 121.372 120.400 0.235 0.000 2.026 231 K HA -0.094 4.227 4.320 0.000 0.000 0.208 231 K C 2.243 178.896 176.600 0.087 0.000 1.048 231 K CA 1.321 57.692 56.287 0.140 0.000 0.929 231 K CB -0.678 31.898 32.500 0.126 0.000 0.713 231 K HN 0.235 nan 8.250 nan 0.000 0.439 232 A N 0.910 123.770 122.820 0.066 0.000 1.902 232 A HA -0.122 4.198 4.320 0.000 0.000 0.217 232 A C 2.237 179.829 177.584 0.014 0.000 1.181 232 A CA 1.315 53.370 52.037 0.030 0.000 0.623 232 A CB -0.468 18.540 19.000 0.013 0.000 0.818 232 A HN 0.347 nan 8.150 nan 0.000 0.443 233 I N -1.065 119.504 120.570 -0.001 0.000 3.111 233 I HA 0.087 4.258 4.170 0.000 0.000 0.272 233 I C 1.385 177.518 176.117 0.026 0.000 1.268 233 I CA 0.997 62.290 61.300 -0.012 0.000 1.467 233 I CB -0.019 37.939 38.000 -0.070 0.000 1.087 233 I HN 0.499 nan 8.210 nan 0.000 0.467 234 G N 0.916 109.749 108.800 0.055 0.000 2.182 234 G HA2 -0.210 3.750 3.960 0.000 0.000 0.248 234 G HA3 -0.210 3.750 3.960 0.000 0.000 0.248 234 G C -0.061 174.892 174.900 0.089 0.000 1.042 234 G CA 0.224 45.363 45.100 0.065 0.000 0.775 234 G HN 0.232 nan 8.290 nan 0.000 0.501 235 V N -0.053 119.942 119.914 0.135 0.000 2.540 235 V HA 0.521 4.641 4.120 0.000 0.000 0.302 235 V C 0.435 176.657 176.094 0.213 0.000 1.035 235 V CA -0.994 61.412 62.300 0.177 0.000 0.873 235 V CB 1.868 33.808 31.823 0.195 0.000 0.992 235 V HN 0.313 nan 8.190 nan 0.000 0.428 236 K N 6.604 127.085 120.400 0.135 0.000 2.297 236 K HA 0.383 4.704 4.320 0.000 0.000 0.286 236 K C -2.285 174.298 176.600 -0.028 0.000 1.053 236 K CA -1.251 55.068 56.287 0.053 0.000 0.940 236 K CB 0.851 33.375 32.500 0.040 0.000 1.019 236 K HN 0.460 nan 8.250 nan 0.000 0.475 237 P HA 0.152 nan 4.420 nan 0.000 0.271 237 P C -2.631 174.503 177.300 -0.277 0.000 1.216 237 P CA -1.263 61.569 63.100 -0.447 0.000 0.776 237 P CB 0.214 31.494 31.700 -0.700 0.000 0.881 238 P HA 0.212 nan 4.420 nan 0.000 0.275 238 P C 0.586 177.754 177.300 -0.221 0.000 1.228 238 P CA -0.231 62.737 63.100 -0.220 0.000 0.786 238 P CB 0.522 32.130 31.700 -0.153 0.000 0.927 239 R N 1.183 121.536 120.500 -0.246 0.000 2.508 239 R HA 0.401 4.741 4.340 0.000 0.000 0.300 239 R C 0.082 176.212 176.300 -0.285 0.000 0.970 239 R CA -0.275 55.684 56.100 -0.234 0.000 1.102 239 R CB 0.308 30.476 30.300 -0.220 0.000 1.246 239 R HN 0.478 nan 8.270 nan 0.000 0.539 240 G N 2.035 110.652 108.800 -0.304 0.000 2.719 240 G HA2 0.497 4.457 3.960 0.000 0.000 0.284 240 G HA3 0.497 4.457 3.960 0.000 0.000 0.284 240 G C -1.167 173.696 174.900 -0.063 0.000 1.488 240 G CA -0.505 44.345 45.100 -0.418 0.000 1.139 240 G HN 0.056 nan 8.290 nan 0.000 0.552 241 I N 2.801 123.442 120.570 0.119 0.000 2.389 241 I HA 0.420 4.590 4.170 0.000 0.000 0.288 241 I C -0.568 175.691 176.117 0.238 0.000 0.999 241 I CA -1.635 59.761 61.300 0.160 0.000 1.129 241 I CB 1.349 39.397 38.000 0.079 0.000 1.288 241 I HN 0.343 nan 8.210 nan 0.000 0.444 242 L N 7.479 128.827 121.223 0.209 0.000 2.272 242 L HA 0.517 4.857 4.340 0.000 0.000 0.289 242 L C -0.731 176.216 176.870 0.128 0.000 1.032 242 L CA -0.140 54.745 54.840 0.076 0.000 0.810 242 L CB 0.897 42.961 42.059 0.009 0.000 1.205 242 L HN 0.385 nan 8.230 nan 0.000 0.422 243 L N 6.784 128.053 121.223 0.076 0.000 2.264 243 L HA 0.428 4.768 4.340 0.000 0.000 0.289 243 L C -0.700 176.254 176.870 0.140 0.000 1.044 243 L CA -0.738 54.162 54.840 0.100 0.000 0.807 243 L CB 0.454 42.595 42.059 0.137 0.000 1.192 243 L HN 0.677 nan 8.230 nan 0.000 0.425 244 Y N 1.160 121.474 120.300 0.023 0.000 2.633 244 Y HA 0.987 5.538 4.550 0.001 0.000 0.339 244 Y C 0.059 175.973 175.900 0.022 0.000 1.045 244 Y CA -0.936 57.171 58.100 0.012 0.000 1.098 244 Y CB 2.204 40.662 38.460 -0.003 0.000 1.296 244 Y HN 0.671 nan 8.280 nan 0.000 0.494 245 G N 0.445 109.319 108.800 0.124 0.000 2.350 245 G HA2 0.350 4.310 3.960 0.000 0.000 0.304 245 G HA3 0.350 4.310 3.960 0.000 0.000 0.304 245 G C -3.543 171.391 174.900 0.057 0.000 1.421 245 G CA -1.309 43.804 45.100 0.023 0.000 0.934 245 G HN 0.521 nan 8.290 nan 0.000 0.632 246 P HA 0.302 nan 4.420 nan 0.000 0.271 246 P C -2.432 174.875 177.300 0.011 0.000 1.233 246 P CA -0.775 62.337 63.100 0.020 0.000 0.789 246 P CB -0.025 31.674 31.700 -0.002 0.000 0.951 247 P HA 0.024 nan 4.420 nan 0.000 0.262 247 P C 0.762 178.057 177.300 -0.008 0.000 1.182 247 P CA 1.604 64.705 63.100 0.001 0.000 0.761 247 P CB -0.179 31.517 31.700 -0.006 0.000 0.795 248 G N 2.424 111.224 108.800 -0.001 0.000 2.147 248 G HA2 -0.273 3.687 3.960 0.000 0.000 0.244 248 G HA3 -0.273 3.687 3.960 0.000 0.000 0.244 248 G C 0.790 175.688 174.900 -0.004 0.000 1.005 248 G CA 0.534 45.630 45.100 -0.005 0.000 0.713 248 G HN 0.580 nan 8.290 nan 0.000 0.515 249 T N -3.188 111.366 114.554 0.000 0.000 3.067 249 T HA 0.448 4.798 4.350 0.000 0.000 0.257 249 T C 2.012 176.718 174.700 0.009 0.000 1.105 249 T CA 1.498 63.596 62.100 -0.002 0.000 1.104 249 T CB 0.589 69.449 68.868 -0.014 0.000 0.925 249 T HN 2.070 nan 8.240 nan 0.000 0.498 250 G N 1.101 109.912 108.800 0.018 0.000 2.200 250 G HA2 -0.144 3.817 3.960 0.000 0.000 0.145 250 G HA3 -0.144 3.817 3.960 0.000 0.000 0.145 250 G C 0.667 175.587 174.900 0.033 0.000 1.021 250 G CA 0.050 45.166 45.100 0.027 0.000 0.720 250 G HN 0.458 nan 8.290 nan 0.000 0.494 251 K N 0.057 120.485 120.400 0.047 0.000 2.026 251 K HA -0.025 4.296 4.320 0.000 0.000 0.208 251 K C 2.463 179.086 176.600 0.038 0.000 1.048 251 K CA 1.914 58.257 56.287 0.094 0.000 0.929 251 K CB -0.272 32.310 32.500 0.137 0.000 0.713 251 K HN 0.262 nan 8.250 nan 0.000 0.439 252 T N 1.728 116.277 114.554 -0.007 0.000 2.857 252 T HA -0.068 4.282 4.350 0.000 0.000 0.266 252 T C 1.779 176.400 174.700 -0.132 0.000 1.048 252 T CA 0.688 62.729 62.100 -0.098 0.000 1.139 252 T CB -0.149 68.690 68.868 -0.048 0.000 0.874 252 T HN 0.058 nan 8.240 nan 0.000 0.455 253 L N 0.951 122.137 121.223 -0.061 0.000 2.017 253 L HA 0.023 4.363 4.340 0.000 0.000 0.208 253 L C 2.170 179.004 176.870 -0.060 0.000 1.073 253 L CA 1.531 56.340 54.840 -0.053 0.000 0.745 253 L CB -0.471 41.587 42.059 -0.002 0.000 0.894 253 L HN 0.220 nan 8.230 nan 0.000 0.432 254 I N -0.609 119.952 120.570 -0.015 0.000 2.208 254 I HA -0.349 3.821 4.170 0.000 0.000 0.245 254 I C 2.592 178.683 176.117 -0.044 0.000 1.097 254 I CA 1.273 62.597 61.300 0.041 0.000 1.363 254 I CB -0.580 37.484 38.000 0.107 0.000 1.051 254 I HN 0.379 nan 8.210 nan 0.000 0.413 255 A N 0.683 123.352 122.820 -0.253 0.000 1.883 255 A HA -0.218 4.102 4.320 0.000 0.000 0.217 255 A C 2.376 179.692 177.584 -0.447 0.000 1.186 255 A CA 1.522 53.185 52.037 -0.622 0.000 0.624 255 A CB -0.462 17.727 19.000 -1.352 0.000 0.822 255 A HN 0.253 nan 8.150 nan 0.000 0.444 256 R N -0.418 119.875 120.500 -0.345 0.000 2.081 256 R HA -0.058 4.283 4.340 0.000 0.000 0.235 256 R C 2.466 178.546 176.300 -0.366 0.000 1.131 256 R CA 1.453 57.353 56.100 -0.334 0.000 0.960 256 R CB -1.286 28.881 30.300 -0.220 0.000 0.856 256 R HN 0.539 nan 8.270 nan 0.000 0.436 257 A N 0.832 123.489 122.820 -0.273 0.000 1.877 257 A HA -0.113 4.207 4.320 0.000 0.000 0.216 257 A C 2.530 179.817 177.584 -0.495 0.000 1.186 257 A CA 1.665 53.500 52.037 -0.337 0.000 0.620 257 A CB -0.733 18.177 19.000 -0.150 0.000 0.822 257 A HN 0.094 nan 8.150 nan 0.000 0.443 258 V N 0.013 119.770 119.914 -0.261 0.000 2.287 258 V HA -0.305 3.815 4.120 0.000 0.000 0.248 258 V C 3.083 178.886 176.094 -0.485 0.000 1.053 258 V CA 2.092 64.303 62.300 -0.148 0.000 1.027 258 V CB -1.325 30.610 31.823 0.188 0.000 0.646 258 V HN 0.640 nan 8.190 nan 0.000 0.447 259 A N 0.285 122.490 122.820 -1.025 0.000 1.917 259 A HA -0.311 4.009 4.320 0.000 0.000 0.219 259 A C 1.978 179.170 177.584 -0.653 0.000 1.182 259 A CA 2.620 53.777 52.037 -1.466 0.000 0.633 259 A CB -0.818 17.286 19.000 -1.493 0.000 0.819 259 A HN 0.730 nan 8.150 nan 0.000 0.448 260 N N -1.168 117.231 118.700 -0.501 0.000 2.424 260 N HA -0.003 4.737 4.740 0.000 0.000 0.178 260 N C 1.378 176.706 175.510 -0.302 0.000 1.060 260 N CA 0.680 53.525 53.050 -0.343 0.000 0.901 260 N CB 0.144 38.448 38.487 -0.305 0.000 0.979 260 N HN 0.464 nan 8.380 nan 0.000 0.451 261 E N 0.255 120.222 120.200 -0.387 0.000 2.389 261 E HA 0.006 4.356 4.350 0.000 0.000 0.199 261 E C 0.473 176.997 176.600 -0.127 0.000 0.978 261 E CA 0.357 56.546 56.400 -0.352 0.000 0.912 261 E CB 0.399 29.589 29.700 -0.850 0.000 0.907 261 E HN 0.346 nan 8.360 nan 0.000 0.494 262 T N -1.983 112.523 114.554 -0.080 0.000 2.899 262 T HA 0.293 4.644 4.350 0.000 0.000 0.295 262 T C 1.299 176.027 174.700 0.047 0.000 1.033 262 T CA -0.082 62.046 62.100 0.047 0.000 1.084 262 T CB 1.742 70.682 68.868 0.121 0.000 0.979 262 T HN -0.000 nan 8.240 nan 0.000 0.532 263 G N 0.611 109.454 108.800 0.070 0.000 2.534 263 G HA2 0.347 4.308 3.960 0.000 0.000 0.217 263 G HA3 0.347 4.308 3.960 0.000 0.000 0.217 263 G C 0.688 175.643 174.900 0.092 0.000 1.128 263 G CA 0.122 45.261 45.100 0.064 0.000 0.784 263 G HN 1.189 nan 8.290 nan 0.000 0.542 264 A N -0.020 122.875 122.820 0.126 0.000 2.386 264 A HA 0.534 4.855 4.320 0.000 0.000 0.248 264 A C -0.234 177.501 177.584 0.252 0.000 1.082 264 A CA -0.751 51.394 52.037 0.180 0.000 0.789 264 A CB 0.267 19.381 19.000 0.190 0.000 1.025 264 A HN 0.310 nan 8.150 nan 0.000 0.490 265 F N 1.159 121.175 119.950 0.110 0.000 2.563 265 F HA 0.395 4.923 4.527 0.000 0.000 0.363 265 F C -0.508 175.432 175.800 0.232 0.000 1.123 265 F CA 0.364 58.450 58.000 0.143 0.000 1.307 265 F CB 0.162 39.223 39.000 0.101 0.000 1.115 265 F HN 0.420 nan 8.300 nan 0.000 0.592 266 F N 7.588 127.174 119.950 -0.608 0.000 2.536 266 F HA 0.443 4.971 4.527 0.000 0.000 0.322 266 F C -1.947 173.503 175.800 -0.584 0.000 1.144 266 F CA -0.950 56.811 58.000 -0.398 0.000 0.924 266 F CB 0.920 39.792 39.000 -0.213 0.000 1.181 266 F HN 0.375 nan 8.300 nan 0.000 0.438 267 F N 7.441 126.952 119.950 -0.731 0.000 2.449 267 F HA 0.586 5.113 4.527 0.000 0.000 0.342 267 F C -1.521 174.043 175.800 -0.393 0.000 1.127 267 F CA -0.954 56.772 58.000 -0.457 0.000 0.975 267 F CB 1.342 40.176 39.000 -0.277 0.000 1.146 267 F HN 0.408 nan 8.300 nan 0.000 0.444 268 L N 6.814 127.884 121.223 -0.255 0.000 2.307 268 L HA 0.627 4.968 4.340 0.000 0.000 0.282 268 L C -1.130 175.797 176.870 0.095 0.000 1.051 268 L CA -0.130 54.706 54.840 -0.006 0.000 0.804 268 L CB 0.948 43.039 42.059 0.053 0.000 1.197 268 L HN 0.517 nan 8.230 nan 0.000 0.431 269 I N 4.960 125.649 120.570 0.199 0.000 2.439 269 I HA 0.339 4.510 4.170 0.000 0.000 0.285 269 I C -0.755 175.465 176.117 0.172 0.000 1.021 269 I CA -0.643 60.782 61.300 0.208 0.000 1.091 269 I CB 1.408 39.548 38.000 0.234 0.000 1.242 269 I HN 0.570 nan 8.210 nan 0.000 0.439 270 N N 4.602 123.377 118.700 0.125 0.000 2.472 270 N HA 0.174 4.914 4.740 0.000 0.000 0.277 270 N C 1.002 176.568 175.510 0.093 0.000 1.081 270 N CA -0.006 53.107 53.050 0.106 0.000 0.973 270 N CB 2.123 40.652 38.487 0.070 0.000 1.105 270 N HN 0.830 nan 8.380 nan 0.000 0.470 271 G N 3.467 112.318 108.800 0.086 0.000 2.586 271 G HA2 -0.216 3.744 3.960 0.000 0.000 0.218 271 G HA3 -0.216 3.744 3.960 0.000 0.000 0.218 271 G C -0.945 173.987 174.900 0.053 0.000 1.216 271 G CA 0.941 46.079 45.100 0.064 0.000 0.786 271 G HN 0.484 nan 8.290 nan 0.000 0.583 272 P HA -0.000 nan 4.420 nan 0.000 0.218 272 P C 1.744 179.067 177.300 0.039 0.000 1.149 272 P CA 0.940 64.061 63.100 0.036 0.000 0.817 272 P CB 0.058 31.777 31.700 0.030 0.000 0.785 273 E N -0.433 119.794 120.200 0.046 0.000 2.070 273 E HA -0.177 4.173 4.350 0.000 0.000 0.197 273 E C 1.898 178.531 176.600 0.055 0.000 1.004 273 E CA 1.174 57.603 56.400 0.048 0.000 0.805 273 E CB -0.421 29.312 29.700 0.055 0.000 0.744 273 E HN 0.167 nan 8.360 nan 0.000 0.451 274 I N 0.678 121.287 120.570 0.064 0.000 2.233 274 I HA -0.217 3.953 4.170 0.000 0.000 0.243 274 I C 2.188 178.334 176.117 0.049 0.000 1.093 274 I CA 0.908 62.248 61.300 0.066 0.000 1.380 274 I CB -0.740 37.307 38.000 0.078 0.000 1.067 274 I HN 0.169 nan 8.210 nan 0.000 0.413 275 M N 0.529 120.154 119.600 0.042 0.000 2.630 275 M HA -0.034 4.447 4.480 0.000 0.000 0.254 275 M C 2.265 178.582 176.300 0.029 0.000 1.092 275 M CA 0.802 56.121 55.300 0.033 0.000 1.087 275 M CB -1.501 31.116 32.600 0.029 0.000 1.453 275 M HN 0.323 nan 8.290 nan 0.000 0.509 276 S N -0.597 115.121 115.700 0.031 0.000 2.470 276 S HA 0.054 4.525 4.470 0.000 0.000 0.225 276 S C 0.938 175.553 174.600 0.025 0.000 1.006 276 S CA 0.079 58.294 58.200 0.026 0.000 0.934 276 S CB 0.193 63.408 63.200 0.026 0.000 0.778 276 S HN 0.370 nan 8.310 nan 0.000 0.517 277 K N 0.965 121.383 120.400 0.030 0.000 2.118 277 K HA 0.404 4.725 4.320 0.000 0.000 0.264 277 K C -0.189 176.426 176.600 0.025 0.000 1.000 277 K CA -0.612 55.692 56.287 0.030 0.000 0.929 277 K CB 0.878 33.401 32.500 0.037 0.000 1.021 277 K HN 0.225 nan 8.250 nan 0.000 0.463 278 L N 1.738 122.975 121.223 0.023 0.000 2.529 278 L HA -0.075 4.266 4.340 0.000 0.000 0.287 278 L C 0.563 177.444 176.870 0.019 0.000 1.241 278 L CA -0.169 54.682 54.840 0.019 0.000 0.857 278 L CB 0.273 42.342 42.059 0.017 0.000 1.113 278 L HN 0.766 nan 8.230 nan 0.000 0.504 279 A N 2.839 125.668 122.820 0.016 0.000 2.573 279 A HA 0.329 4.650 4.320 0.000 0.000 0.250 279 A C 1.254 178.846 177.584 0.013 0.000 1.049 279 A CA 0.767 52.812 52.037 0.014 0.000 0.767 279 A CB -0.547 18.460 19.000 0.011 0.000 0.965 279 A HN 1.156 nan 8.150 nan 0.000 0.514 280 G N 1.531 110.338 108.800 0.012 0.000 2.579 280 G HA2 -0.336 3.625 3.960 0.000 0.000 0.222 280 G HA3 -0.336 3.625 3.960 0.000 0.000 0.222 280 G C 1.139 176.048 174.900 0.015 0.000 1.201 280 G CA 0.776 45.883 45.100 0.010 0.000 0.710 280 G HN 0.853 nan 8.290 nan 0.000 0.516 281 E N 1.283 121.494 120.200 0.019 0.000 2.265 281 E HA -0.087 4.263 4.350 0.000 0.000 0.196 281 E C 2.592 179.213 176.600 0.034 0.000 0.996 281 E CA 1.845 58.261 56.400 0.026 0.000 0.832 281 E CB -0.118 29.598 29.700 0.026 0.000 0.756 281 E HN 0.735 nan 8.360 nan 0.000 0.491 282 S N -0.069 115.650 115.700 0.032 0.000 2.406 282 S HA -0.065 4.405 4.470 0.000 0.000 0.224 282 S C 1.732 176.354 174.600 0.036 0.000 1.030 282 S CA 0.548 58.772 58.200 0.039 0.000 0.958 282 S CB -0.092 63.130 63.200 0.037 0.000 0.811 282 S HN 0.133 nan 8.310 nan 0.000 0.489 283 E N 1.835 122.048 120.200 0.021 0.000 2.110 283 E HA -0.045 4.306 4.350 0.000 0.000 0.193 283 E C 2.189 178.794 176.600 0.009 0.000 0.988 283 E CA 1.135 57.539 56.400 0.007 0.000 0.804 283 E CB -0.383 29.314 29.700 -0.005 0.000 0.745 283 E HN 0.522 nan 8.360 nan 0.000 0.458 284 S N -0.213 115.497 115.700 0.017 0.000 2.423 284 S HA -0.103 4.367 4.470 0.000 0.000 0.231 284 S C 1.554 176.177 174.600 0.039 0.000 1.014 284 S CA 1.294 59.507 58.200 0.021 0.000 0.965 284 S CB -0.247 62.967 63.200 0.022 0.000 0.785 284 S HN 0.272 nan 8.310 nan 0.000 0.495 285 N N 0.223 118.957 118.700 0.057 0.000 2.354 285 N HA 0.143 4.883 4.740 0.000 0.000 0.179 285 N C 1.653 177.223 175.510 0.100 0.000 1.021 285 N CA 0.636 53.739 53.050 0.089 0.000 0.887 285 N CB -0.023 38.528 38.487 0.107 0.000 0.974 285 N HN 0.308 nan 8.380 nan 0.000 0.437 286 L N 0.710 121.985 121.223 0.086 0.000 2.023 286 L HA -0.085 4.255 4.340 0.000 0.000 0.205 286 L C 2.584 179.520 176.870 0.110 0.000 1.073 286 L CA 0.907 55.816 54.840 0.115 0.000 0.745 286 L CB -0.279 41.814 42.059 0.057 0.000 0.900 286 L HN 0.157 nan 8.230 nan 0.000 0.435 287 R N 0.480 120.996 120.500 0.026 0.000 2.133 287 R HA -0.310 4.030 4.340 0.000 0.000 0.245 287 R C 2.354 178.674 176.300 0.034 0.000 1.137 287 R CA 2.453 58.558 56.100 0.009 0.000 0.947 287 R CB -0.244 30.051 30.300 -0.009 0.000 0.865 287 R HN 0.219 nan 8.270 nan 0.000 0.437 288 K N -0.577 119.831 120.400 0.013 0.000 2.097 288 K HA -0.116 4.204 4.320 0.000 0.000 0.206 288 K C 1.936 178.431 176.600 -0.175 0.000 1.049 288 K CA 1.322 57.592 56.287 -0.027 0.000 0.933 288 K CB -0.122 32.392 32.500 0.024 0.000 0.717 288 K HN 0.282 nan 8.250 nan 0.000 0.442 289 A N 0.613 123.278 122.820 -0.259 0.000 1.858 289 A HA -0.140 4.181 4.320 0.000 0.000 0.216 289 A C 1.931 179.206 177.584 -0.515 0.000 1.190 289 A CA 1.367 52.932 52.037 -0.786 0.000 0.617 289 A CB -0.833 17.913 19.000 -0.423 0.000 0.827 289 A HN 0.339 nan 8.150 nan 0.000 0.443 290 F N 0.254 120.039 119.950 -0.275 0.000 2.134 290 F HA -0.112 4.415 4.527 0.000 0.000 0.299 290 F C 2.481 178.196 175.800 -0.143 0.000 1.097 290 F CA 1.862 59.762 58.000 -0.167 0.000 1.264 290 F CB -0.441 38.494 39.000 -0.108 0.000 1.001 290 F HN 0.319 nan 8.300 nan 0.000 0.479 291 E N -0.363 119.859 120.200 0.036 0.000 2.110 291 E HA -0.254 4.097 4.350 0.000 0.000 0.193 291 E C 2.003 178.559 176.600 -0.074 0.000 0.988 291 E CA 1.368 57.759 56.400 -0.015 0.000 0.804 291 E CB -0.188 29.504 29.700 -0.012 0.000 0.745 291 E HN 0.359 nan 8.360 nan 0.000 0.458 292 E N 0.718 120.839 120.200 -0.130 0.000 2.077 292 E HA -0.162 4.188 4.350 0.000 0.000 0.193 292 E C 1.890 178.410 176.600 -0.134 0.000 0.989 292 E CA 1.276 57.604 56.400 -0.121 0.000 0.800 292 E CB -0.095 29.535 29.700 -0.118 0.000 0.746 292 E HN 0.249 nan 8.360 nan 0.000 0.452 293 A N 0.494 123.267 122.820 -0.080 0.000 1.898 293 A HA -0.192 4.128 4.320 0.000 0.000 0.216 293 A C 2.074 179.612 177.584 -0.077 0.000 1.181 293 A CA 1.636 53.687 52.037 0.023 0.000 0.620 293 A CB -0.567 18.391 19.000 -0.071 0.000 0.819 293 A HN 0.303 nan 8.150 nan 0.000 0.442 294 E N -0.512 119.640 120.200 -0.080 0.000 2.085 294 E HA -0.209 4.142 4.350 0.000 0.000 0.194 294 E C 2.107 178.660 176.600 -0.078 0.000 0.994 294 E CA 1.334 57.703 56.400 -0.052 0.000 0.801 294 E CB -0.082 29.607 29.700 -0.019 0.000 0.743 294 E HN 0.577 nan 8.360 nan 0.000 0.453 295 K N 0.713 121.040 120.400 -0.120 0.000 2.097 295 K HA -0.100 4.220 4.320 0.000 0.000 0.205 295 K C 0.102 176.575 176.600 -0.211 0.000 1.050 295 K CA 0.926 57.127 56.287 -0.142 0.000 0.938 295 K CB 0.014 32.429 32.500 -0.142 0.000 0.718 295 K HN 0.000 nan 8.250 nan 0.000 0.442 296 N N 0.910 119.391 118.700 -0.365 0.000 3.188 296 N HA 0.133 4.874 4.740 0.000 0.000 0.279 296 N C 0.220 175.591 175.510 -0.232 0.000 1.213 296 N CA 0.139 52.898 53.050 -0.485 0.000 1.138 296 N CB 1.060 38.765 38.487 -1.303 0.000 1.417 296 N HN 0.201 nan 8.380 nan 0.000 0.526 297 A N 2.883 125.626 122.820 -0.128 0.000 2.033 297 A HA -0.225 4.096 4.320 0.000 0.000 0.282 297 A C -1.319 176.265 177.584 0.001 0.000 2.983 297 A CA 1.361 53.368 52.037 -0.050 0.000 0.987 297 A CB -1.968 16.995 19.000 -0.061 0.000 0.716 297 A HN 0.369 nan 8.150 nan 0.000 0.495 298 P HA 0.576 nan 4.420 nan 0.000 0.287 298 P C -0.897 176.478 177.300 0.124 0.000 1.294 298 P CA 0.573 63.701 63.100 0.046 0.000 0.776 298 P CB 1.335 33.034 31.700 -0.002 0.000 0.889 299 A N 3.979 126.882 122.820 0.139 0.000 2.539 299 A HA 0.773 5.094 4.320 0.000 0.000 0.296 299 A C -1.142 176.506 177.584 0.106 0.000 1.073 299 A CA -0.701 51.465 52.037 0.216 0.000 0.700 299 A CB 1.127 20.299 19.000 0.287 0.000 1.296 299 A HN 0.414 nan 8.150 nan 0.000 0.405 300 I N 1.998 122.615 120.570 0.077 0.000 2.389 300 I HA 0.378 4.548 4.170 0.000 0.000 0.288 300 I C -0.762 175.176 176.117 -0.299 0.000 0.999 300 I CA -0.290 60.971 61.300 -0.065 0.000 1.129 300 I CB 1.644 39.680 38.000 0.061 0.000 1.288 300 I HN 0.470 nan 8.210 nan 0.000 0.444 301 I N 5.937 126.335 120.570 -0.287 0.000 2.315 301 I HA 0.258 4.428 4.170 0.000 0.000 0.291 301 I C -0.659 175.286 176.117 -0.287 0.000 1.006 301 I CA -0.324 60.782 61.300 -0.323 0.000 1.265 301 I CB 0.955 38.694 38.000 -0.434 0.000 1.387 301 I HN 0.434 nan 8.210 nan 0.000 0.475 302 F N 7.431 127.111 119.950 -0.450 0.000 2.385 302 F HA 0.489 5.016 4.527 0.001 0.000 0.360 302 F C 0.079 175.854 175.800 -0.042 0.000 1.122 302 F CA -0.492 57.381 58.000 -0.212 0.000 1.090 302 F CB 0.833 39.724 39.000 -0.182 0.000 1.150 302 F HN 0.271 nan 8.300 nan 0.000 0.472 303 I N 5.276 125.778 120.570 -0.114 0.000 2.313 303 I HA 0.131 4.301 4.170 0.000 0.000 0.286 303 I C -0.410 175.771 176.117 0.106 0.000 1.091 303 I CA -0.467 60.861 61.300 0.048 0.000 1.216 303 I CB 0.147 38.163 38.000 0.026 0.000 1.434 303 I HN 0.431 nan 8.210 nan 0.000 0.487 304 D N 6.273 126.905 120.400 0.387 0.000 2.351 304 D HA 0.080 4.721 4.640 0.000 0.000 0.251 304 D C 0.238 176.643 176.300 0.174 0.000 1.137 304 D CA 0.391 54.622 54.000 0.386 0.000 0.879 304 D CB 0.621 41.614 40.800 0.322 0.000 1.181 304 D HN 0.489 nan 8.370 nan 0.000 0.448 305 E N 1.448 121.726 120.200 0.131 0.000 2.257 305 E HA -0.242 4.109 4.350 0.000 0.000 0.217 305 E C 0.757 177.371 176.600 0.022 0.000 1.248 305 E CA -0.225 56.213 56.400 0.063 0.000 0.691 305 E CB -0.941 28.794 29.700 0.059 0.000 1.185 305 E HN 0.384 nan 8.360 nan 0.000 0.377 306 L N 1.871 123.077 121.223 -0.029 0.000 2.043 306 L HA -0.245 4.096 4.340 0.000 0.000 0.212 306 L C 2.247 179.082 176.870 -0.057 0.000 1.075 306 L CA 2.774 57.561 54.840 -0.088 0.000 0.752 306 L CB -0.371 41.543 42.059 -0.242 0.000 0.891 306 L HN 0.523 nan 8.230 nan 0.000 0.432 307 D N -0.688 119.685 120.400 -0.045 0.000 2.203 307 D HA -0.286 4.354 4.640 0.000 0.000 0.199 307 D C 1.834 178.130 176.300 -0.007 0.000 0.997 307 D CA 1.397 55.380 54.000 -0.027 0.000 0.863 307 D CB -0.254 40.537 40.800 -0.016 0.000 0.928 307 D HN 0.516 nan 8.370 nan 0.000 0.458 308 A N 1.441 124.264 122.820 0.004 0.000 1.969 308 A HA -0.041 4.279 4.320 0.000 0.000 0.218 308 A C 2.502 180.095 177.584 0.016 0.000 1.169 308 A CA 1.532 53.578 52.037 0.014 0.000 0.635 308 A CB -0.679 18.335 19.000 0.024 0.000 0.810 308 A HN 0.544 nan 8.150 nan 0.000 0.445 309 I N -5.386 115.192 120.570 0.014 0.000 3.526 309 I HA 0.488 4.658 4.170 0.000 0.000 0.294 309 I C 1.130 177.253 176.117 0.011 0.000 1.229 309 I CA 0.726 62.038 61.300 0.020 0.000 1.408 309 I CB 0.491 38.512 38.000 0.036 0.000 1.127 309 I HN 0.115 nan 8.210 nan 0.000 0.439 310 A N 3.231 126.049 122.820 -0.003 0.000 3.248 310 A HA 0.618 4.938 4.320 0.000 0.000 0.315 310 A C -2.690 174.887 177.584 -0.011 0.000 0.974 310 A CA -1.245 50.788 52.037 -0.005 0.000 0.939 310 A CB -0.566 18.429 19.000 -0.008 0.000 1.061 310 A HN 0.158 nan 8.150 nan 0.000 0.481 311 P HA 0.214 nan 4.420 nan 0.000 0.278 311 P C -0.616 176.682 177.300 -0.003 0.000 1.266 311 P CA -0.460 62.638 63.100 -0.003 0.000 0.807 311 P CB 0.631 32.335 31.700 0.007 0.000 1.094 312 K N 1.171 121.568 120.400 -0.005 0.000 2.366 312 K HA -0.003 4.318 4.320 0.000 0.000 0.279 312 K C 1.546 178.141 176.600 -0.009 0.000 1.098 312 K CA 0.319 56.602 56.287 -0.007 0.000 1.087 312 K CB -0.049 32.446 32.500 -0.008 0.000 0.901 312 K HN 0.299 nan 8.250 nan 0.000 0.463 313 R N 2.146 122.640 120.500 -0.011 0.000 2.244 313 R HA -0.259 4.081 4.340 0.000 0.000 0.252 313 R C 1.324 177.605 176.300 -0.031 0.000 1.177 313 R CA 1.572 57.662 56.100 -0.017 0.000 1.004 313 R CB 0.003 30.294 30.300 -0.016 0.000 0.873 313 R HN 0.657 nan 8.270 nan 0.000 0.469 314 E N 0.362 120.543 120.200 -0.031 0.000 2.005 314 E HA -0.154 4.197 4.350 0.000 0.000 0.191 314 E C 0.924 177.488 176.600 -0.060 0.000 0.987 314 E CA 0.690 57.062 56.400 -0.047 0.000 0.814 314 E CB -0.005 29.675 29.700 -0.034 0.000 0.772 314 E HN 0.038 nan 8.360 nan 0.000 0.453 315 K N 1.499 121.883 120.400 -0.027 0.000 2.989 315 K HA -0.016 4.304 4.320 0.000 0.000 0.264 315 K C -1.056 175.566 176.600 0.037 0.000 1.228 315 K CA 0.369 56.658 56.287 0.004 0.000 1.186 315 K CB -0.229 32.284 32.500 0.022 0.000 1.409 315 K HN -0.058 nan 8.250 nan 0.000 0.271 316 T N 0.069 114.623 114.554 -0.000 0.000 3.548 316 T HA 0.148 4.498 4.350 0.000 0.000 0.329 316 T C 0.207 174.913 174.700 0.009 0.000 0.960 316 T CA -0.770 61.360 62.100 0.050 0.000 1.041 316 T CB 0.637 69.522 68.868 0.028 0.000 1.065 316 T HN 0.454 nan 8.240 nan 0.000 0.459 317 H N 2.649 121.719 119.070 -0.001 0.000 2.448 317 H HA 0.187 4.743 4.556 -0.000 0.000 0.292 317 H C 1.501 176.829 175.328 -0.001 0.000 1.035 317 H CA 0.506 56.553 56.048 -0.001 0.000 1.349 317 H CB 0.386 30.148 29.762 -0.001 0.000 1.425 317 H HN 0.674 nan 8.280 nan 0.000 0.539 318 G N 0.721 109.587 108.800 0.111 0.000 2.370 318 G HA2 0.036 3.996 3.960 0.000 0.000 0.272 318 G HA3 0.036 3.996 3.960 0.000 0.000 0.272 318 G C 0.585 175.504 174.900 0.031 0.000 1.208 318 G CA -0.370 44.766 45.100 0.061 0.000 0.856 318 G HN 0.312 nan 8.290 nan 0.000 0.500 319 E N 1.079 121.292 120.200 0.022 0.000 2.058 319 E HA -0.176 4.175 4.350 0.000 0.000 0.194 319 E C 2.614 179.219 176.600 0.008 0.000 0.997 319 E CA 1.136 57.541 56.400 0.009 0.000 0.801 319 E CB 0.009 29.713 29.700 0.007 0.000 0.746 319 E HN 0.389 nan 8.360 nan 0.000 0.450 320 V N 1.430 121.351 119.914 0.012 0.000 2.407 320 V HA -0.262 3.858 4.120 0.000 0.000 0.248 320 V C 1.951 178.051 176.094 0.011 0.000 1.055 320 V CA 1.937 64.243 62.300 0.010 0.000 1.049 320 V CB -0.537 31.294 31.823 0.013 0.000 0.662 320 V HN 0.245 nan 8.190 nan 0.000 0.455 321 E N 0.047 120.257 120.200 0.016 0.000 2.047 321 E HA -0.189 4.161 4.350 0.000 0.000 0.191 321 E C 2.471 179.076 176.600 0.009 0.000 0.987 321 E CA 1.067 57.477 56.400 0.017 0.000 0.799 321 E CB -0.222 29.493 29.700 0.026 0.000 0.752 321 E HN 0.502 nan 8.360 nan 0.000 0.449 322 R N 0.580 121.083 120.500 0.005 0.000 2.105 322 R HA -0.091 4.249 4.340 0.000 0.000 0.239 322 R C 2.440 178.736 176.300 -0.007 0.000 1.135 322 R CA 1.105 57.202 56.100 -0.004 0.000 0.967 322 R CB -0.159 30.135 30.300 -0.010 0.000 0.861 322 R HN 0.040 nan 8.270 nan 0.000 0.442 323 R N 0.705 121.202 120.500 -0.006 0.000 2.092 323 R HA -0.085 4.255 4.340 0.000 0.000 0.231 323 R C 2.055 178.346 176.300 -0.014 0.000 1.119 323 R CA 1.297 57.391 56.100 -0.010 0.000 0.970 323 R CB -0.134 30.162 30.300 -0.008 0.000 0.864 323 R HN 0.184 nan 8.270 nan 0.000 0.440 324 I N 0.231 120.797 120.570 -0.007 0.000 2.315 324 I HA -0.243 3.927 4.170 0.000 0.000 0.248 324 I C 2.156 178.266 176.117 -0.011 0.000 1.117 324 I CA 0.828 62.123 61.300 -0.007 0.000 1.404 324 I CB -0.052 37.952 38.000 0.007 0.000 1.071 324 I HN -0.023 nan 8.210 nan 0.000 0.419 325 V N -0.254 119.656 119.914 -0.006 0.000 2.343 325 V HA -0.281 3.839 4.120 0.000 0.000 0.247 325 V C 2.490 178.575 176.094 -0.015 0.000 1.051 325 V CA 2.171 64.469 62.300 -0.003 0.000 1.036 325 V CB -0.877 30.946 31.823 -0.001 0.000 0.654 325 V HN 0.363 nan 8.190 nan 0.000 0.451 326 S N -0.511 115.176 115.700 -0.022 0.000 2.382 326 S HA -0.285 4.185 4.470 0.000 0.000 0.228 326 S C 2.048 176.615 174.600 -0.054 0.000 1.027 326 S CA 1.827 60.008 58.200 -0.032 0.000 0.991 326 S CB -0.351 62.832 63.200 -0.028 0.000 0.823 326 S HN 0.664 nan 8.310 nan 0.000 0.469 327 Q N 0.941 120.705 119.800 -0.059 0.000 2.135 327 Q HA -0.092 4.249 4.340 0.000 0.000 0.204 327 Q C 1.980 177.888 176.000 -0.152 0.000 0.981 327 Q CA 1.241 56.988 55.803 -0.093 0.000 0.856 327 Q CB -0.435 28.260 28.738 -0.072 0.000 0.902 327 Q HN 0.440 nan 8.270 nan 0.000 0.425 328 L N -0.464 120.689 121.223 -0.117 0.000 2.023 328 L HA -0.019 4.322 4.340 0.000 0.000 0.205 328 L C 2.003 178.783 176.870 -0.151 0.000 1.073 328 L CA 1.581 56.334 54.840 -0.144 0.000 0.745 328 L CB -0.766 41.282 42.059 -0.018 0.000 0.900 328 L HN 0.391 nan 8.230 nan 0.000 0.435 329 L N -0.755 120.426 121.223 -0.071 0.000 2.051 329 L HA -0.303 4.037 4.340 0.000 0.000 0.214 329 L C 2.357 179.167 176.870 -0.100 0.000 1.076 329 L CA 2.032 56.838 54.840 -0.057 0.000 0.758 329 L CB -1.101 40.942 42.059 -0.027 0.000 0.890 329 L HN 0.334 nan 8.230 nan 0.000 0.433 330 T N 0.027 114.508 114.554 -0.121 0.000 2.708 330 T HA -0.173 4.178 4.350 0.000 0.000 0.266 330 T C 1.914 176.502 174.700 -0.186 0.000 1.037 330 T CA 1.363 63.386 62.100 -0.128 0.000 1.146 330 T CB -0.256 68.543 68.868 -0.115 0.000 0.865 330 T HN 0.201 nan 8.240 nan 0.000 0.435 331 L N 0.205 121.231 121.223 -0.328 0.000 2.056 331 L HA -0.056 4.284 4.340 0.000 0.000 0.207 331 L C 2.798 179.464 176.870 -0.338 0.000 1.078 331 L CA 0.816 55.337 54.840 -0.532 0.000 0.749 331 L CB -0.568 40.728 42.059 -1.272 0.000 0.901 331 L HN 0.221 nan 8.230 nan 0.000 0.433 332 M N -0.342 119.105 119.600 -0.255 0.000 2.080 332 M HA -0.224 4.257 4.480 0.000 0.000 0.260 332 M C 1.761 178.016 176.300 -0.076 0.000 1.068 332 M CA 1.761 57.013 55.300 -0.081 0.000 1.109 332 M CB -1.087 31.445 32.600 -0.114 0.000 1.342 332 M HN 0.227 nan 8.290 nan 0.000 0.405 333 D N -0.471 119.878 120.400 -0.085 0.000 2.317 333 D HA 0.007 4.648 4.640 0.000 0.000 0.211 333 D C 1.992 178.262 176.300 -0.050 0.000 0.966 333 D CA 1.062 55.026 54.000 -0.059 0.000 0.876 333 D CB -0.409 40.362 40.800 -0.048 0.000 0.927 333 D HN 0.453 nan 8.370 nan 0.000 0.519 334 G N 0.319 109.083 108.800 -0.061 0.000 2.511 334 G HA2 -0.022 3.938 3.960 0.000 0.000 0.217 334 G HA3 -0.022 3.938 3.960 0.000 0.000 0.217 334 G C 0.733 175.624 174.900 -0.015 0.000 1.133 334 G CA -0.145 44.927 45.100 -0.046 0.000 0.792 334 G HN 0.212 nan 8.290 nan 0.000 0.539 335 L N 1.766 122.993 121.223 0.007 0.000 2.456 335 L HA 0.224 4.564 4.340 0.000 0.000 0.277 335 L C 0.598 177.451 176.870 -0.029 0.000 1.124 335 L CA -0.246 54.601 54.840 0.010 0.000 0.880 335 L CB 0.598 42.676 42.059 0.032 0.000 1.192 335 L HN 0.021 nan 8.230 nan 0.000 0.463 336 K N 1.958 122.337 120.400 -0.034 0.000 2.149 336 K HA 0.058 4.378 4.320 0.000 0.000 0.245 336 K C 0.895 177.446 176.600 -0.082 0.000 1.024 336 K CA -0.777 55.481 56.287 -0.048 0.000 0.899 336 K CB 0.690 33.167 32.500 -0.038 0.000 1.038 336 K HN 0.486 nan 8.250 nan 0.000 0.496 337 Q N 1.180 120.928 119.800 -0.087 0.000 2.045 337 Q HA -0.212 4.128 4.340 0.000 0.000 0.206 337 Q C 1.562 177.425 176.000 -0.227 0.000 0.991 337 Q CA 1.877 57.604 55.803 -0.126 0.000 0.851 337 Q CB -0.543 28.144 28.738 -0.084 0.000 0.911 337 Q HN 0.480 nan 8.270 nan 0.000 0.418 338 R N 0.647 121.026 120.500 -0.201 0.000 2.366 338 R HA 0.205 4.546 4.340 0.000 0.000 0.201 338 R C 1.597 177.735 176.300 -0.269 0.000 1.057 338 R CA 0.853 56.785 56.100 -0.280 0.000 1.086 338 R CB -0.923 29.324 30.300 -0.090 0.000 0.914 338 R HN 0.199 nan 8.270 nan 0.000 0.476 339 A N 0.826 123.512 122.820 -0.223 0.000 1.970 339 A HA -0.061 4.259 4.320 0.000 0.000 0.216 339 A C 0.111 177.702 177.584 0.011 0.000 1.170 339 A CA 0.470 52.463 52.037 -0.075 0.000 0.645 339 A CB -0.535 18.433 19.000 -0.053 0.000 0.816 339 A HN 0.643 nan 8.150 nan 0.000 0.447 340 H N -1.495 117.551 119.070 -0.040 0.000 2.677 340 H HA -0.123 4.434 4.556 0.001 0.000 0.321 340 H C -0.929 174.374 175.328 -0.043 0.000 1.171 340 H CA 0.617 56.639 56.048 -0.042 0.000 1.139 340 H CB -2.399 27.348 29.762 -0.024 0.000 1.515 340 H HN 0.263 nan 8.280 nan 0.000 0.423 341 V N 2.629 122.545 119.914 0.002 0.000 2.483 341 V HA 0.369 4.490 4.120 0.000 0.000 0.297 341 V C 0.533 176.577 176.094 -0.085 0.000 1.027 341 V CA -0.733 61.545 62.300 -0.037 0.000 0.855 341 V CB 2.506 34.283 31.823 -0.076 0.000 0.995 341 V HN 0.187 nan 8.190 nan 0.000 0.424 342 I N 5.049 125.571 120.570 -0.080 0.000 2.377 342 I HA 0.467 4.638 4.170 0.000 0.000 0.293 342 I C -0.164 175.875 176.117 -0.130 0.000 0.987 342 I CA -0.728 60.509 61.300 -0.105 0.000 1.185 342 I CB 1.811 39.774 38.000 -0.061 0.000 1.341 342 I HN 0.252 nan 8.210 nan 0.000 0.455 343 V N 6.819 126.633 119.914 -0.167 0.000 2.350 343 V HA 0.402 4.522 4.120 0.000 0.000 0.276 343 V C 0.373 176.456 176.094 -0.019 0.000 1.028 343 V CA -0.460 61.752 62.300 -0.146 0.000 0.860 343 V CB 1.217 32.937 31.823 -0.171 0.000 0.990 343 V HN 0.646 nan 8.190 nan 0.000 0.453 344 M N 3.984 123.520 119.600 -0.107 0.000 2.367 344 M HA 0.790 5.271 4.480 0.000 0.000 0.339 344 M C -0.027 175.927 176.300 -0.577 0.000 1.177 344 M CA -0.193 54.952 55.300 -0.259 0.000 1.068 344 M CB 1.937 34.332 32.600 -0.342 0.000 1.602 344 M HN 0.740 nan 8.290 nan 0.000 0.457 345 A N 1.749 124.230 122.820 -0.564 0.000 2.539 345 A HA 0.942 5.263 4.320 0.000 0.000 0.296 345 A C -1.547 175.769 177.584 -0.446 0.000 1.073 345 A CA -0.711 50.923 52.037 -0.671 0.000 0.700 345 A CB 1.538 20.132 19.000 -0.677 0.000 1.296 345 A HN 0.858 nan 8.150 nan 0.000 0.405 346 A N 0.382 123.094 122.820 -0.179 0.000 2.350 346 A HA 0.925 5.246 4.320 0.000 0.000 0.324 346 A C -0.245 177.362 177.584 0.039 0.000 1.118 346 A CA -0.229 51.858 52.037 0.084 0.000 0.783 346 A CB 1.568 20.788 19.000 0.367 0.000 1.236 346 A HN 1.627 nan 8.150 nan 0.000 0.457 347 T N -0.161 114.426 114.554 0.055 0.000 2.923 347 T HA 0.423 4.773 4.350 0.000 0.000 0.311 347 T C 0.253 175.001 174.700 0.080 0.000 1.183 347 T CA -0.134 61.993 62.100 0.045 0.000 1.020 347 T CB 0.976 69.842 68.868 -0.003 0.000 1.165 347 T HN 0.815 nan 8.240 nan 0.000 0.482 348 N N 2.358 121.093 118.700 0.059 0.000 2.299 348 N HA 0.151 4.892 4.740 0.000 0.000 0.187 348 N C 0.486 176.028 175.510 0.052 0.000 1.099 348 N CA -0.009 53.078 53.050 0.062 0.000 0.867 348 N CB 0.254 38.767 38.487 0.042 0.000 0.974 348 N HN 0.374 nan 8.380 nan 0.000 0.477 349 R N 0.709 121.228 120.500 0.032 0.000 2.748 349 R HA 0.267 4.608 4.340 0.000 0.000 0.283 349 R C -1.901 174.391 176.300 -0.014 0.000 1.507 349 R CA -1.484 54.623 56.100 0.011 0.000 1.666 349 R CB 1.129 31.431 30.300 0.004 0.000 1.237 349 R HN 0.188 nan 8.270 nan 0.000 0.633 350 P HA -0.149 nan 4.420 nan 0.000 0.218 350 P C 0.221 177.465 177.300 -0.093 0.000 1.149 350 P CA 1.163 64.212 63.100 -0.086 0.000 0.817 350 P CB 0.353 31.935 31.700 -0.196 0.000 0.785 351 N N -0.223 118.432 118.700 -0.075 0.000 2.515 351 N HA -0.051 4.690 4.740 0.000 0.000 0.185 351 N C 1.485 176.972 175.510 -0.038 0.000 1.109 351 N CA 0.883 53.897 53.050 -0.060 0.000 0.903 351 N CB -0.472 37.984 38.487 -0.052 0.000 0.969 351 N HN 0.271 nan 8.380 nan 0.000 0.450 352 S N -0.488 115.192 115.700 -0.032 0.000 2.577 352 S HA 0.240 4.711 4.470 0.000 0.000 0.219 352 S C 0.493 175.078 174.600 -0.025 0.000 0.962 352 S CA -0.510 57.677 58.200 -0.021 0.000 0.921 352 S CB -0.203 62.990 63.200 -0.011 0.000 0.789 352 S HN 0.047 nan 8.310 nan 0.000 0.497 353 I N 2.492 123.039 120.570 -0.039 0.000 2.396 353 I HA 0.208 4.379 4.170 0.000 0.000 0.292 353 I C 0.356 176.457 176.117 -0.027 0.000 0.999 353 I CA -0.666 60.608 61.300 -0.043 0.000 1.310 353 I CB 0.772 38.727 38.000 -0.076 0.000 1.404 353 I HN 0.154 nan 8.210 nan 0.000 0.496 354 D N 8.417 128.809 120.400 -0.015 0.000 2.581 354 D HA -0.046 4.594 4.640 0.000 0.000 0.238 354 D C -1.647 174.657 176.300 0.006 0.000 1.145 354 D CA -0.785 53.213 54.000 -0.003 0.000 0.866 354 D CB 1.306 42.108 40.800 0.004 0.000 1.151 354 D HN 0.248 nan 8.370 nan 0.000 0.500 355 P HA -0.085 nan 4.420 nan 0.000 0.222 355 P C 0.966 178.285 177.300 0.030 0.000 1.147 355 P CA 0.977 64.084 63.100 0.012 0.000 0.790 355 P CB 0.141 31.844 31.700 0.005 0.000 0.780 356 A N -0.744 122.093 122.820 0.029 0.000 2.024 356 A HA -0.168 4.153 4.320 0.000 0.000 0.220 356 A C 1.988 179.608 177.584 0.060 0.000 1.164 356 A CA 1.430 53.489 52.037 0.037 0.000 0.643 356 A CB -1.575 17.440 19.000 0.024 0.000 0.806 356 A HN 0.161 nan 8.150 nan 0.000 0.451 357 L N -1.306 119.969 121.223 0.085 0.000 2.418 357 L HA 0.058 4.398 4.340 0.000 0.000 0.218 357 L C 2.269 179.274 176.870 0.225 0.000 1.125 357 L CA 0.832 55.776 54.840 0.173 0.000 0.835 357 L CB -0.029 42.147 42.059 0.196 0.000 0.953 357 L HN 0.228 nan 8.230 nan 0.000 0.454 358 R N -0.948 119.631 120.500 0.131 0.000 2.427 358 R HA 0.162 4.502 4.340 0.000 0.000 0.262 358 R C 0.414 176.766 176.300 0.086 0.000 0.943 358 R CA -0.178 55.993 56.100 0.119 0.000 1.081 358 R CB 0.334 30.667 30.300 0.055 0.000 1.166 358 R HN 0.148 nan 8.270 nan 0.000 0.534 359 R N -0.083 120.466 120.500 0.081 0.000 2.580 359 R HA 0.125 4.465 4.340 0.000 0.000 0.267 359 R C -0.352 176.003 176.300 0.092 0.000 1.125 359 R CA -0.524 55.631 56.100 0.092 0.000 1.188 359 R CB 0.257 30.610 30.300 0.089 0.000 1.155 359 R HN -0.099 nan 8.270 nan 0.000 0.586 360 F N 1.083 121.033 119.950 0.000 0.000 2.580 360 F HA 0.084 4.611 4.527 0.000 0.000 0.398 360 F C 1.374 177.157 175.800 -0.030 0.000 1.023 360 F CA 2.222 60.216 58.000 -0.011 0.000 1.188 360 F CB 0.180 39.175 39.000 -0.009 0.000 1.005 360 F HN 0.736 nan 8.300 nan 0.000 0.546 361 G N 4.013 112.465 108.800 -0.580 0.000 2.241 361 G HA2 -0.325 3.636 3.960 0.000 0.000 0.244 361 G HA3 -0.325 3.636 3.960 0.000 0.000 0.244 361 G C 0.850 175.587 174.900 -0.272 0.000 0.998 361 G CA 0.444 45.314 45.100 -0.383 0.000 0.621 361 G HN 0.698 nan 8.290 nan 0.000 0.519 362 R N -0.742 119.623 120.500 -0.224 0.000 1.557 362 R HA 0.684 5.025 4.340 0.000 0.000 0.106 362 R C 0.181 176.230 176.300 -0.418 0.000 1.616 362 R CA -0.150 55.784 56.100 -0.277 0.000 1.892 362 R CB -0.435 29.811 30.300 -0.090 0.000 1.185 362 R HN 0.091 nan 8.270 nan 0.000 0.608 363 F N 2.507 122.420 119.950 -0.061 0.000 2.605 363 F HA 0.111 4.638 4.527 0.000 0.000 0.352 363 F C 0.385 176.147 175.800 -0.063 0.000 1.236 363 F CA -0.288 57.675 58.000 -0.062 0.000 1.267 363 F CB 0.083 39.056 39.000 -0.045 0.000 1.632 363 F HN 0.397 nan 8.300 nan 0.000 0.639 364 D N 0.037 120.413 120.400 -0.039 0.000 2.325 364 D HA 0.030 4.670 4.640 0.000 0.000 0.225 364 D C 0.457 176.748 176.300 -0.016 0.000 1.096 364 D CA 0.094 54.060 54.000 -0.058 0.000 0.844 364 D CB 0.198 40.856 40.800 -0.238 0.000 0.925 364 D HN 0.131 nan 8.370 nan 0.000 0.513 365 R N 0.649 121.169 120.500 0.032 0.000 2.621 365 R HA 0.411 4.751 4.340 0.000 0.000 0.284 365 R C -0.625 175.744 176.300 0.115 0.000 0.998 365 R CA -0.392 55.742 56.100 0.058 0.000 0.895 365 R CB 2.040 32.356 30.300 0.027 0.000 1.195 365 R HN 0.145 nan 8.270 nan 0.000 0.450 366 E N 1.874 122.157 120.200 0.138 0.000 2.234 366 E HA 0.423 4.774 4.350 0.000 0.000 0.266 366 E C -0.776 175.949 176.600 0.207 0.000 0.877 366 E CA -0.991 55.546 56.400 0.228 0.000 0.758 366 E CB 3.036 32.913 29.700 0.295 0.000 1.170 366 E HN 0.090 nan 8.360 nan 0.000 0.415 367 V N 2.280 122.290 119.914 0.160 0.000 2.378 367 V HA 0.103 4.224 4.120 0.000 0.000 0.288 367 V C -0.429 175.534 176.094 -0.219 0.000 1.016 367 V CA -0.765 61.547 62.300 0.021 0.000 0.840 367 V CB 1.585 33.426 31.823 0.030 0.000 0.994 367 V HN 0.621 nan 8.190 nan 0.000 0.431 368 D N 5.475 125.663 120.400 -0.353 0.000 2.422 368 D HA 0.191 4.831 4.640 0.000 0.000 0.227 368 D C -0.009 176.059 176.300 -0.387 0.000 1.190 368 D CA -0.428 53.119 54.000 -0.755 0.000 0.905 368 D CB 0.448 40.973 40.800 -0.459 0.000 1.034 368 D HN 0.255 nan 8.370 nan 0.000 0.507 369 I N 4.029 124.396 120.570 -0.339 0.000 2.243 369 I HA 0.288 4.458 4.170 0.000 0.000 0.297 369 I C 1.285 177.317 176.117 -0.143 0.000 1.161 369 I CA -0.320 60.886 61.300 -0.157 0.000 1.298 369 I CB -0.122 37.836 38.000 -0.071 0.000 1.475 369 I HN 0.246 nan 8.210 nan 0.000 0.561 370 G N 5.715 114.445 108.800 -0.116 0.000 2.583 370 G HA2 0.615 4.576 3.960 0.000 0.000 0.280 370 G HA3 0.615 4.576 3.960 0.000 0.000 0.280 370 G C -0.029 174.845 174.900 -0.042 0.000 1.376 370 G CA -0.852 44.203 45.100 -0.076 0.000 1.043 370 G HN 0.411 nan 8.290 nan 0.000 0.538 371 I N 2.721 123.272 120.570 -0.032 0.000 2.587 371 I HA 0.121 4.291 4.170 0.000 0.000 0.284 371 I C -1.359 174.746 176.117 -0.020 0.000 1.134 371 I CA -0.886 60.394 61.300 -0.034 0.000 1.410 371 I CB 0.831 38.800 38.000 -0.052 0.000 1.392 371 I HN 0.227 nan 8.210 nan 0.000 0.545 372 P HA 0.106 nan 4.420 nan 0.000 0.271 372 P C -0.982 176.324 177.300 0.011 0.000 1.218 372 P CA -0.485 62.616 63.100 0.002 0.000 0.780 372 P CB 0.543 32.248 31.700 0.009 0.000 0.901 373 D N 1.022 121.433 120.400 0.017 0.000 2.414 373 D HA 0.110 4.751 4.640 0.000 0.000 0.259 373 D C 1.393 177.710 176.300 0.028 0.000 1.269 373 D CA -0.373 53.644 54.000 0.029 0.000 1.028 373 D CB -0.344 40.471 40.800 0.025 0.000 1.093 373 D HN 0.306 nan 8.370 nan 0.000 0.545 374 A N -0.449 122.390 122.820 0.031 0.000 1.917 374 A HA -0.190 4.131 4.320 0.000 0.000 0.219 374 A C 2.131 179.720 177.584 0.008 0.000 1.182 374 A CA 2.617 54.666 52.037 0.020 0.000 0.633 374 A CB -1.428 17.582 19.000 0.017 0.000 0.819 374 A HN 0.688 nan 8.150 nan 0.000 0.448 375 T N -0.396 114.163 114.554 0.008 0.000 2.821 375 T HA 0.024 4.374 4.350 0.000 0.000 0.267 375 T C 1.975 176.679 174.700 0.007 0.000 1.046 375 T CA 1.186 63.288 62.100 0.004 0.000 1.139 375 T CB -0.701 68.169 68.868 0.005 0.000 0.871 375 T HN 0.573 nan 8.240 nan 0.000 0.454 376 G N 2.037 110.843 108.800 0.011 0.000 2.480 376 G HA2 -0.265 3.695 3.960 0.000 0.000 0.216 376 G HA3 -0.265 3.695 3.960 0.000 0.000 0.216 376 G C 1.709 176.619 174.900 0.017 0.000 1.200 376 G CA 0.585 45.694 45.100 0.014 0.000 0.782 376 G HN 0.423 nan 8.290 nan 0.000 0.554 377 R N -0.357 120.151 120.500 0.014 0.000 2.091 377 R HA -0.064 4.276 4.340 0.000 0.000 0.238 377 R C 2.513 178.815 176.300 0.004 0.000 1.136 377 R CA 1.280 57.386 56.100 0.010 0.000 0.959 377 R CB -0.641 29.657 30.300 -0.002 0.000 0.856 377 R HN 0.387 nan 8.270 nan 0.000 0.437 378 L N 1.647 122.868 121.223 -0.004 0.000 2.012 378 L HA -0.197 4.143 4.340 0.000 0.000 0.210 378 L C 1.897 178.770 176.870 0.005 0.000 1.073 378 L CA 1.877 56.710 54.840 -0.011 0.000 0.748 378 L CB -0.438 41.612 42.059 -0.016 0.000 0.891 378 L HN 0.143 nan 8.230 nan 0.000 0.431 379 E N -0.378 119.831 120.200 0.014 0.000 2.085 379 E HA -0.249 4.101 4.350 0.000 0.000 0.194 379 E C 2.235 178.863 176.600 0.047 0.000 0.994 379 E CA 1.922 58.337 56.400 0.024 0.000 0.801 379 E CB -0.275 29.439 29.700 0.023 0.000 0.743 379 E HN 0.616 nan 8.360 nan 0.000 0.453 380 I N 0.864 121.472 120.570 0.063 0.000 2.226 380 I HA -0.282 3.888 4.170 0.000 0.000 0.245 380 I C 2.338 178.555 176.117 0.166 0.000 1.100 380 I CA 0.959 62.331 61.300 0.120 0.000 1.374 380 I CB -0.178 37.877 38.000 0.091 0.000 1.057 380 I HN 0.083 nan 8.210 nan 0.000 0.413 381 L N -0.105 121.175 121.223 0.095 0.000 2.131 381 L HA -0.223 4.118 4.340 0.000 0.000 0.210 381 L C 2.594 179.514 176.870 0.083 0.000 1.092 381 L CA 1.313 56.209 54.840 0.094 0.000 0.759 381 L CB -0.556 41.512 42.059 0.016 0.000 0.903 381 L HN 0.307 nan 8.230 nan 0.000 0.435 382 Q N -0.127 119.701 119.800 0.046 0.000 2.119 382 Q HA -0.158 4.182 4.340 0.000 0.000 0.201 382 Q C 2.308 178.326 176.000 0.030 0.000 0.972 382 Q CA 1.331 57.150 55.803 0.027 0.000 0.847 382 Q CB -0.035 28.709 28.738 0.010 0.000 0.903 382 Q HN 0.540 nan 8.270 nan 0.000 0.433 383 I N -0.599 119.995 120.570 0.040 0.000 2.353 383 I HA -0.227 3.943 4.170 0.000 0.000 0.248 383 I C 1.726 177.773 176.117 -0.116 0.000 1.119 383 I CA 1.052 62.339 61.300 -0.022 0.000 1.417 383 I CB -0.092 37.900 38.000 -0.013 0.000 1.078 383 I HN 0.183 nan 8.210 nan 0.000 0.421 384 H N -0.099 118.992 119.070 0.035 0.000 2.462 384 H HA -0.072 4.485 4.556 0.001 0.000 0.292 384 H C 2.071 177.435 175.328 0.061 0.000 1.049 384 H CA 1.807 57.884 56.048 0.048 0.000 1.334 384 H CB 0.027 29.827 29.762 0.063 0.000 1.404 384 H HN 0.333 nan 8.280 nan 0.000 0.544 385 T N -1.587 113.044 114.554 0.128 0.000 3.122 385 T HA 0.020 4.370 4.350 0.000 0.000 0.250 385 T C 1.543 176.274 174.700 0.053 0.000 1.067 385 T CA -0.114 62.055 62.100 0.115 0.000 0.966 385 T CB -0.003 68.953 68.868 0.146 0.000 1.002 385 T HN 0.461 nan 8.240 nan 0.000 0.542 386 K N 1.641 122.050 120.400 0.013 0.000 2.280 386 K HA -0.012 4.308 4.320 0.000 0.000 0.202 386 K C 1.154 177.754 176.600 -0.001 0.000 1.047 386 K CA 1.160 57.446 56.287 -0.002 0.000 0.942 386 K CB -0.164 32.323 32.500 -0.022 0.000 0.739 386 K HN 0.217 nan 8.250 nan 0.000 0.457 387 N N 0.040 118.740 118.700 -0.000 0.000 2.200 387 N HA 0.171 4.912 4.740 0.000 0.000 0.224 387 N C -0.434 175.087 175.510 0.018 0.000 1.179 387 N CA 0.084 53.134 53.050 0.001 0.000 0.877 387 N CB 0.547 39.025 38.487 -0.014 0.000 1.072 387 N HN 0.221 nan 8.380 nan 0.000 0.519 388 M N 0.548 120.171 119.600 0.039 0.000 2.367 388 M HA 0.254 4.734 4.480 0.000 0.000 0.339 388 M C 0.247 176.579 176.300 0.052 0.000 1.177 388 M CA -0.303 55.030 55.300 0.055 0.000 1.068 388 M CB 1.825 34.484 32.600 0.098 0.000 1.602 388 M HN -0.347 nan 8.290 nan 0.000 0.457 389 K N 3.657 124.085 120.400 0.046 0.000 2.310 389 K HA 0.447 4.767 4.320 0.000 0.000 0.290 389 K C -1.165 175.476 176.600 0.068 0.000 1.077 389 K CA -0.031 56.282 56.287 0.043 0.000 0.922 389 K CB 0.342 32.858 32.500 0.027 0.000 1.057 389 K HN 0.558 nan 8.250 nan 0.000 0.479 390 L N 2.301 123.568 121.223 0.073 0.000 2.334 390 L HA 0.481 4.821 4.340 0.000 0.000 0.273 390 L C 0.378 177.288 176.870 0.068 0.000 1.013 390 L CA -0.949 53.951 54.840 0.099 0.000 0.816 390 L CB 1.756 43.874 42.059 0.099 0.000 1.278 390 L HN 0.599 nan 8.230 nan 0.000 0.431 391 A N 0.632 123.499 122.820 0.078 0.000 2.346 391 A HA 0.050 4.371 4.320 0.000 0.000 0.252 391 A C 0.933 178.538 177.584 0.034 0.000 1.089 391 A CA -0.186 51.882 52.037 0.052 0.000 0.797 391 A CB 0.261 19.297 19.000 0.060 0.000 1.047 391 A HN 0.878 nan 8.150 nan 0.000 0.494 392 D N 0.033 120.447 120.400 0.023 0.000 2.158 392 D HA -0.197 4.443 4.640 0.000 0.000 0.197 392 D C 1.109 177.414 176.300 0.008 0.000 0.995 392 D CA 1.968 55.975 54.000 0.013 0.000 0.846 392 D CB -0.029 40.777 40.800 0.011 0.000 0.941 392 D HN 0.682 nan 8.370 nan 0.000 0.456 393 D N -0.516 119.893 120.400 0.016 0.000 2.349 393 D HA -0.057 4.583 4.640 0.000 0.000 0.215 393 D C 0.378 176.679 176.300 0.001 0.000 1.016 393 D CA -0.133 53.873 54.000 0.012 0.000 0.870 393 D CB -0.325 40.489 40.800 0.022 0.000 0.917 393 D HN -0.010 nan 8.370 nan 0.000 0.524 394 V N 1.526 121.438 119.914 -0.003 0.000 2.446 394 V HA 0.127 4.248 4.120 0.000 0.000 0.276 394 V C -0.096 175.934 176.094 -0.106 0.000 1.030 394 V CA -0.265 62.001 62.300 -0.058 0.000 1.033 394 V CB 0.625 32.416 31.823 -0.053 0.000 0.993 394 V HN 0.053 nan 8.190 nan 0.000 0.477 395 D N 4.315 124.634 120.400 -0.134 0.000 2.461 395 D HA 0.422 5.062 4.640 0.000 0.000 0.240 395 D C 0.492 176.681 176.300 -0.184 0.000 1.094 395 D CA -0.508 53.418 54.000 -0.122 0.000 0.868 395 D CB 1.571 42.327 40.800 -0.074 0.000 1.062 395 D HN 0.261 nan 8.370 nan 0.000 0.530 396 L N 2.759 123.866 121.223 -0.193 0.000 2.240 396 L HA 0.113 4.454 4.340 0.000 0.000 0.211 396 L C 2.169 178.954 176.870 -0.141 0.000 1.106 396 L CA 0.872 55.577 54.840 -0.224 0.000 0.793 396 L CB -0.440 41.507 42.059 -0.187 0.000 0.927 396 L HN 0.454 nan 8.230 nan 0.000 0.446 397 E N -0.063 120.079 120.200 -0.097 0.000 2.085 397 E HA -0.321 4.030 4.350 0.000 0.000 0.194 397 E C 2.186 178.747 176.600 -0.065 0.000 0.994 397 E CA 1.409 57.769 56.400 -0.066 0.000 0.801 397 E CB -0.025 29.647 29.700 -0.047 0.000 0.743 397 E HN 0.460 nan 8.360 nan 0.000 0.453 398 Q N 0.632 120.388 119.800 -0.074 0.000 2.061 398 Q HA -0.164 4.176 4.340 0.000 0.000 0.204 398 Q C 2.025 177.981 176.000 -0.074 0.000 0.984 398 Q CA 1.831 57.596 55.803 -0.063 0.000 0.846 398 Q CB -0.196 28.507 28.738 -0.059 0.000 0.902 398 Q HN 0.129 nan 8.270 nan 0.000 0.421 399 V N 0.893 120.737 119.914 -0.115 0.000 2.343 399 V HA -0.231 3.889 4.120 0.000 0.000 0.247 399 V C 2.369 178.403 176.094 -0.100 0.000 1.051 399 V CA 1.718 63.948 62.300 -0.116 0.000 1.036 399 V CB -1.412 30.289 31.823 -0.202 0.000 0.654 399 V HN 0.545 nan 8.190 nan 0.000 0.451 400 A N 0.483 123.250 122.820 -0.089 0.000 1.972 400 A HA -0.201 4.119 4.320 0.000 0.000 0.219 400 A C 2.023 179.580 177.584 -0.045 0.000 1.169 400 A CA 1.927 53.926 52.037 -0.064 0.000 0.635 400 A CB -0.560 18.413 19.000 -0.045 0.000 0.810 400 A HN 0.598 nan 8.150 nan 0.000 0.446 401 N N -0.176 118.499 118.700 -0.041 0.000 2.416 401 N HA -0.046 4.695 4.740 0.000 0.000 0.177 401 N C 1.100 176.599 175.510 -0.018 0.000 1.036 401 N CA 0.898 53.935 53.050 -0.021 0.000 0.901 401 N CB -0.173 38.301 38.487 -0.021 0.000 0.976 401 N HN 0.652 nan 8.380 nan 0.000 0.444 402 E N -0.196 119.979 120.200 -0.040 0.000 2.465 402 E HA 0.039 4.390 4.350 0.000 0.000 0.191 402 E C -0.017 176.539 176.600 -0.072 0.000 1.053 402 E CA 0.286 56.663 56.400 -0.038 0.000 0.869 402 E CB 0.231 29.910 29.700 -0.035 0.000 0.977 402 E HN 0.287 nan 8.360 nan 0.000 0.483 403 T N -2.343 112.143 114.554 -0.115 0.000 3.393 403 T HA 0.099 4.449 4.350 0.000 0.000 0.255 403 T C 0.748 175.471 174.700 0.039 0.000 1.008 403 T CA -0.531 61.391 62.100 -0.297 0.000 1.053 403 T CB 0.060 68.582 68.868 -0.578 0.000 1.120 403 T HN 0.131 nan 8.240 nan 0.000 0.538 404 H N 2.555 121.658 119.070 0.054 0.000 2.265 404 H HA -0.081 4.475 4.556 0.000 0.000 0.293 404 H C 2.206 177.616 175.328 0.138 0.000 1.089 404 H CA 2.456 58.552 56.048 0.079 0.000 1.244 404 H CB -0.742 29.052 29.762 0.054 0.000 1.355 404 H HN 0.490 nan 8.280 nan 0.000 0.485 405 G N -1.187 107.565 108.800 -0.079 0.000 2.776 405 G HA2 -0.103 3.857 3.960 0.000 0.000 0.209 405 G HA3 -0.103 3.857 3.960 0.000 0.000 0.209 405 G C -0.306 174.504 174.900 -0.149 0.000 1.145 405 G CA 0.131 45.059 45.100 -0.287 0.000 0.791 405 G HN 0.476 nan 8.290 nan 0.000 0.530 406 H N -0.497 118.493 119.070 -0.135 0.000 2.580 406 H HA 0.423 4.979 4.556 0.001 0.000 0.322 406 H C 0.605 175.887 175.328 -0.075 0.000 1.082 406 H CA -0.588 55.411 56.048 -0.081 0.000 1.383 406 H CB 1.572 31.307 29.762 -0.045 0.000 1.450 406 H HN 0.080 nan 8.280 nan 0.000 0.505 407 V N 0.783 120.704 119.914 0.012 0.000 3.336 407 V HA 0.534 4.655 4.120 0.000 0.000 0.314 407 V C 1.538 177.638 176.094 0.011 0.000 1.088 407 V CA -0.060 62.239 62.300 -0.001 0.000 1.033 407 V CB 1.053 32.859 31.823 -0.029 0.000 1.181 407 V HN 0.811 nan 8.190 nan 0.000 0.449 408 G N -0.152 108.648 108.800 0.001 0.000 2.469 408 G HA2 -0.208 3.752 3.960 0.000 0.000 0.219 408 G HA3 -0.208 3.752 3.960 0.000 0.000 0.219 408 G C 1.475 176.337 174.900 -0.063 0.000 1.150 408 G CA 1.440 46.533 45.100 -0.012 0.000 0.763 408 G HN 1.472 nan 8.290 nan 0.000 0.561 409 A N 0.879 123.673 122.820 -0.043 0.000 1.933 409 A HA -0.050 4.270 4.320 0.000 0.000 0.218 409 A C 2.102 179.651 177.584 -0.058 0.000 1.175 409 A CA 2.046 54.050 52.037 -0.054 0.000 0.628 409 A CB -0.337 18.644 19.000 -0.032 0.000 0.814 409 A HN 0.309 nan 8.150 nan 0.000 0.444 410 D N 0.125 120.504 120.400 -0.036 0.000 2.117 410 D HA -0.093 4.547 4.640 0.000 0.000 0.198 410 D C 1.952 178.295 176.300 0.071 0.000 0.982 410 D CA 1.101 55.099 54.000 -0.004 0.000 0.828 410 D CB -0.320 40.438 40.800 -0.069 0.000 0.967 410 D HN 0.458 nan 8.370 nan 0.000 0.464 411 L N 0.858 122.112 121.223 0.051 0.000 2.141 411 L HA -0.115 4.225 4.340 0.000 0.000 0.209 411 L C 2.583 179.387 176.870 -0.110 0.000 1.094 411 L CA 0.952 55.798 54.840 0.010 0.000 0.763 411 L CB -0.379 41.675 42.059 -0.009 0.000 0.908 411 L HN -0.043 nan 8.230 nan 0.000 0.437 412 A N 0.130 122.781 122.820 -0.282 0.000 1.873 412 A HA -0.137 4.183 4.320 0.000 0.000 0.215 412 A C 2.538 180.041 177.584 -0.135 0.000 1.186 412 A CA 1.692 53.464 52.037 -0.443 0.000 0.616 412 A CB -0.696 18.014 19.000 -0.483 0.000 0.823 412 A HN 0.375 nan 8.150 nan 0.000 0.442 413 A N -0.697 122.081 122.820 -0.071 0.000 1.930 413 A HA 0.024 4.345 4.320 0.000 0.000 0.217 413 A C 2.126 179.710 177.584 -0.001 0.000 1.175 413 A CA 1.537 53.561 52.037 -0.021 0.000 0.627 413 A CB -0.582 18.408 19.000 -0.016 0.000 0.815 413 A HN 0.592 nan 8.150 nan 0.000 0.443 414 L N -0.261 120.974 121.223 0.020 0.000 2.012 414 L HA -0.218 4.122 4.340 0.000 0.000 0.210 414 L C 2.485 179.352 176.870 -0.005 0.000 1.073 414 L CA 2.353 57.217 54.840 0.040 0.000 0.748 414 L CB -0.583 41.535 42.059 0.100 0.000 0.891 414 L HN 0.469 nan 8.230 nan 0.000 0.431 415 C N -1.807 117.514 119.300 0.036 0.000 2.440 415 C HA -0.106 4.354 4.460 0.000 0.000 0.278 415 C C 3.155 178.111 174.990 -0.057 0.000 1.295 415 C CA 1.090 60.122 59.018 0.024 0.000 1.738 415 C CB -0.988 26.857 27.740 0.174 0.000 1.987 415 C HN 0.679 nan 8.230 nan 0.000 0.492 416 S N -0.005 115.688 115.700 -0.012 0.000 2.383 416 S HA -0.121 4.349 4.470 0.000 0.000 0.227 416 S C 1.965 176.554 174.600 -0.017 0.000 1.026 416 S CA 1.252 59.448 58.200 -0.006 0.000 0.981 416 S CB -0.232 62.976 63.200 0.013 0.000 0.818 416 S HN 0.563 nan 8.310 nan 0.000 0.472 417 E N 0.922 121.119 120.200 -0.005 0.000 2.112 417 E HA 0.075 4.425 4.350 0.000 0.000 0.190 417 E C 2.274 178.915 176.600 0.068 0.000 0.979 417 E CA 0.890 57.337 56.400 0.078 0.000 0.814 417 E CB -0.455 29.328 29.700 0.138 0.000 0.762 417 E HN 0.532 nan 8.360 nan 0.000 0.460 418 A N 1.460 124.203 122.820 -0.128 0.000 1.933 418 A HA -0.104 4.216 4.320 0.000 0.000 0.218 418 A C 2.396 179.831 177.584 -0.249 0.000 1.175 418 A CA 1.919 53.763 52.037 -0.322 0.000 0.628 418 A CB -0.484 17.878 19.000 -1.063 0.000 0.814 418 A HN 0.255 nan 8.150 nan 0.000 0.444 419 A N -0.654 122.048 122.820 -0.196 0.000 1.933 419 A HA -0.032 4.288 4.320 0.000 0.000 0.218 419 A C 2.174 179.710 177.584 -0.081 0.000 1.175 419 A CA 1.497 53.469 52.037 -0.107 0.000 0.628 419 A CB -0.524 18.440 19.000 -0.059 0.000 0.814 419 A HN 0.496 nan 8.150 nan 0.000 0.444 420 L N -1.193 119.990 121.223 -0.067 0.000 2.156 420 L HA -0.167 4.174 4.340 0.000 0.000 0.208 420 L C 2.714 179.498 176.870 -0.143 0.000 1.095 420 L CA 1.588 56.385 54.840 -0.072 0.000 0.770 420 L CB -0.144 41.898 42.059 -0.029 0.000 0.914 420 L HN 0.489 nan 8.230 nan 0.000 0.439 421 Q N -0.291 119.403 119.800 -0.177 0.000 2.079 421 Q HA -0.163 4.177 4.340 0.000 0.000 0.200 421 Q C 2.150 178.024 176.000 -0.209 0.000 0.974 421 Q CA 1.930 57.549 55.803 -0.307 0.000 0.840 421 Q CB -0.241 28.320 28.738 -0.295 0.000 0.898 421 Q HN 0.501 nan 8.270 nan 0.000 0.430 422 A N 0.063 122.803 122.820 -0.134 0.000 1.940 422 A HA -0.162 4.158 4.320 0.000 0.000 0.219 422 A C 2.088 179.620 177.584 -0.087 0.000 1.176 422 A CA 1.529 53.511 52.037 -0.091 0.000 0.631 422 A CB -0.726 18.237 19.000 -0.061 0.000 0.814 422 A HN 0.484 nan 8.150 nan 0.000 0.446 423 I N -1.292 119.222 120.570 -0.092 0.000 2.315 423 I HA -0.210 3.960 4.170 0.000 0.000 0.248 423 I C 2.719 178.777 176.117 -0.098 0.000 1.117 423 I CA 1.085 62.337 61.300 -0.080 0.000 1.404 423 I CB -0.250 37.710 38.000 -0.067 0.000 1.071 423 I HN 0.257 nan 8.210 nan 0.000 0.419 424 R N 0.756 121.171 120.500 -0.142 0.000 2.115 424 R HA -0.134 4.206 4.340 0.000 0.000 0.230 424 R C 2.164 178.380 176.300 -0.140 0.000 1.111 424 R CA 1.141 57.143 56.100 -0.163 0.000 0.976 424 R CB -0.091 30.053 30.300 -0.259 0.000 0.870 424 R HN 0.304 nan 8.270 nan 0.000 0.445 425 K N -0.123 120.197 120.400 -0.134 0.000 2.283 425 K HA -0.109 4.211 4.320 0.000 0.000 0.202 425 K C 1.492 178.050 176.600 -0.070 0.000 1.048 425 K CA 0.914 57.141 56.287 -0.100 0.000 0.948 425 K CB 0.149 32.596 32.500 -0.088 0.000 0.742 425 K HN -0.160 nan 8.250 nan 0.000 0.458 426 K N 0.036 120.397 120.400 -0.066 0.000 2.372 426 K HA 0.185 4.505 4.320 0.000 0.000 0.200 426 K C 1.213 177.784 176.600 -0.047 0.000 1.022 426 K CA 0.051 56.309 56.287 -0.049 0.000 1.125 426 K CB 0.347 32.821 32.500 -0.042 0.000 0.855 426 K HN -0.062 nan 8.250 nan 0.000 0.524 427 M N 0.915 120.481 119.600 -0.057 0.000 2.358 427 M HA -0.137 4.344 4.480 0.000 0.000 0.264 427 M C 0.557 176.832 176.300 -0.041 0.000 1.064 427 M CA 1.405 56.674 55.300 -0.052 0.000 1.093 427 M CB -0.448 32.115 32.600 -0.062 0.000 1.401 427 M HN 0.159 nan 8.290 nan 0.000 0.440 428 D N 0.017 120.394 120.400 -0.039 0.000 2.117 428 D HA -0.071 4.570 4.640 0.000 0.000 0.198 428 D C 1.653 177.938 176.300 -0.026 0.000 0.982 428 D CA 1.153 55.135 54.000 -0.031 0.000 0.828 428 D CB 0.091 40.873 40.800 -0.029 0.000 0.967 428 D HN 0.325 nan 8.370 nan 0.000 0.464 429 L N 0.319 121.526 121.223 -0.026 0.000 2.611 429 L HA 0.214 4.555 4.340 0.000 0.000 0.229 429 L C 0.549 177.405 176.870 -0.022 0.000 1.137 429 L CA 0.268 55.095 54.840 -0.022 0.000 0.901 429 L CB 0.149 42.196 42.059 -0.020 0.000 1.098 429 L HN -0.134 nan 8.230 nan 0.000 0.456 430 I N -1.345 119.210 120.570 -0.026 0.000 2.569 430 I HA 0.412 4.583 4.170 0.000 0.000 0.296 430 I C -0.941 175.161 176.117 -0.025 0.000 1.028 430 I CA -0.571 60.714 61.300 -0.025 0.000 1.082 430 I CB 2.203 40.185 38.000 -0.030 0.000 1.264 430 I HN -0.170 nan 8.210 nan 0.000 0.429 431 D N 2.674 123.061 120.400 -0.022 0.000 2.819 431 D HA 0.330 4.970 4.640 0.000 0.000 0.232 431 D C 0.174 176.463 176.300 -0.019 0.000 1.160 431 D CA -0.529 53.459 54.000 -0.020 0.000 0.858 431 D CB 2.548 43.337 40.800 -0.018 0.000 1.610 431 D HN 0.288 nan 8.370 nan 0.000 0.481 432 L N 2.171 123.383 121.223 -0.019 0.000 2.201 432 L HA -0.011 4.329 4.340 0.000 0.000 0.212 432 L C 1.693 178.554 176.870 -0.014 0.000 1.105 432 L CA 1.613 56.443 54.840 -0.017 0.000 0.775 432 L CB -0.062 41.987 42.059 -0.017 0.000 0.913 432 L HN 0.466 nan 8.230 nan 0.000 0.440 433 E N -0.324 119.868 120.200 -0.014 0.000 2.274 433 E HA -0.052 4.298 4.350 0.000 0.000 0.194 433 E C 0.107 176.700 176.600 -0.012 0.000 0.996 433 E CA 0.186 56.579 56.400 -0.012 0.000 0.840 433 E CB -0.513 29.180 29.700 -0.011 0.000 0.772 433 E HN 0.534 nan 8.360 nan 0.000 0.491 434 D N 1.456 121.849 120.400 -0.013 0.000 2.423 434 D HA -0.034 4.606 4.640 0.000 0.000 0.238 434 D C 1.097 177.389 176.300 -0.012 0.000 1.142 434 D CA 0.122 54.115 54.000 -0.013 0.000 0.884 434 D CB 1.220 42.012 40.800 -0.014 0.000 1.199 434 D HN 0.035 nan 8.370 nan 0.000 0.438 435 E N 0.134 120.327 120.200 -0.012 0.000 2.047 435 E HA -0.092 4.258 4.350 0.000 0.000 0.191 435 E C 0.086 176.679 176.600 -0.013 0.000 0.987 435 E CA 0.906 57.300 56.400 -0.012 0.000 0.799 435 E CB 0.390 30.084 29.700 -0.011 0.000 0.752 435 E HN 0.632 nan 8.360 nan 0.000 0.449 436 T N -1.694 112.853 114.554 -0.013 0.000 2.896 436 T HA 0.511 4.861 4.350 0.000 0.000 0.297 436 T C -0.165 174.526 174.700 -0.014 0.000 1.108 436 T CA -0.801 61.291 62.100 -0.014 0.000 1.004 436 T CB 1.597 70.456 68.868 -0.014 0.000 1.159 436 T HN -0.013 nan 8.240 nan 0.000 0.499 437 I N 1.828 122.389 120.570 -0.015 0.000 2.441 437 I HA 0.176 4.346 4.170 0.000 0.000 0.287 437 I C 0.628 176.736 176.117 -0.015 0.000 1.049 437 I CA -0.233 61.058 61.300 -0.016 0.000 1.381 437 I CB 0.632 38.622 38.000 -0.018 0.000 1.409 437 I HN 0.791 nan 8.210 nan 0.000 0.523 438 D N 4.753 125.144 120.400 -0.015 0.000 2.583 438 D HA -0.033 4.608 4.640 0.000 0.000 0.232 438 D C 1.067 177.359 176.300 -0.013 0.000 1.128 438 D CA 0.732 54.724 54.000 -0.013 0.000 0.859 438 D CB 1.050 41.842 40.800 -0.013 0.000 1.169 438 D HN 0.619 nan 8.370 nan 0.000 0.481 439 A N 3.867 126.679 122.820 -0.012 0.000 1.859 439 A HA -0.270 4.051 4.320 0.000 0.000 0.217 439 A C 1.952 179.529 177.584 -0.011 0.000 1.198 439 A CA 2.093 54.123 52.037 -0.012 0.000 0.629 439 A CB -0.896 18.098 19.000 -0.011 0.000 0.830 439 A HN 0.801 nan 8.150 nan 0.000 0.446 440 E N 0.253 120.447 120.200 -0.010 0.000 2.085 440 E HA -0.148 4.202 4.350 0.000 0.000 0.194 440 E C 1.666 178.259 176.600 -0.010 0.000 0.994 440 E CA 2.024 58.419 56.400 -0.009 0.000 0.801 440 E CB -0.821 28.874 29.700 -0.009 0.000 0.743 440 E HN 0.246 nan 8.360 nan 0.000 0.453 441 V N 0.459 120.366 119.914 -0.012 0.000 2.332 441 V HA -0.282 3.838 4.120 0.000 0.000 0.248 441 V C 2.563 178.648 176.094 -0.014 0.000 1.055 441 V CA 2.136 64.427 62.300 -0.014 0.000 1.038 441 V CB -0.595 31.218 31.823 -0.017 0.000 0.651 441 V HN 0.324 nan 8.190 nan 0.000 0.450 442 M N 0.730 120.322 119.600 -0.014 0.000 2.117 442 M HA -0.178 4.302 4.480 0.000 0.000 0.262 442 M C 1.780 178.074 176.300 -0.010 0.000 1.065 442 M CA 2.152 57.444 55.300 -0.013 0.000 1.114 442 M CB -0.723 31.869 32.600 -0.013 0.000 1.361 442 M HN 0.517 nan 8.290 nan 0.000 0.408 443 N N -1.123 117.572 118.700 -0.009 0.000 2.207 443 N HA -0.104 4.636 4.740 0.000 0.000 0.182 443 N C 1.523 177.031 175.510 -0.004 0.000 1.020 443 N CA 1.382 54.429 53.050 -0.006 0.000 0.858 443 N CB -0.363 38.121 38.487 -0.005 0.000 0.991 443 N HN 0.417 nan 8.380 nan 0.000 0.427 444 S N 0.963 116.660 115.700 -0.005 0.000 2.500 444 S HA -0.057 4.413 4.470 0.000 0.000 0.239 444 S C 0.759 175.357 174.600 -0.003 0.000 0.989 444 S CA 0.270 58.468 58.200 -0.003 0.000 0.951 444 S CB -0.707 62.490 63.200 -0.006 0.000 0.759 444 S HN 0.214 nan 8.310 nan 0.000 0.523 445 L N 2.472 123.691 121.223 -0.005 0.000 2.742 445 L HA 0.302 4.642 4.340 0.000 0.000 0.275 445 L C 0.432 177.305 176.870 0.004 0.000 1.141 445 L CA -0.158 54.679 54.840 -0.006 0.000 0.987 445 L CB -0.361 41.691 42.059 -0.010 0.000 1.319 445 L HN 0.407 nan 8.230 nan 0.000 0.478 446 A N 3.947 126.772 122.820 0.009 0.000 2.414 446 A HA 0.690 5.010 4.320 0.000 0.000 0.306 446 A C -0.691 176.914 177.584 0.035 0.000 1.054 446 A CA -0.538 51.515 52.037 0.027 0.000 0.724 446 A CB 1.718 20.736 19.000 0.029 0.000 1.267 446 A HN 0.258 nan 8.150 nan 0.000 0.418 447 V N 3.021 122.974 119.914 0.065 0.000 2.368 447 V HA 0.396 4.516 4.120 0.000 0.000 0.266 447 V C 1.023 177.217 176.094 0.166 0.000 1.045 447 V CA 0.183 62.534 62.300 0.084 0.000 0.899 447 V CB 0.547 32.414 31.823 0.072 0.000 1.006 447 V HN 1.068 nan 8.190 nan 0.000 0.470 448 T N 2.274 116.908 114.554 0.133 0.000 2.847 448 T HA 0.329 4.680 4.350 0.000 0.000 0.279 448 T C 1.000 175.861 174.700 0.268 0.000 0.984 448 T CA -0.468 61.723 62.100 0.152 0.000 0.988 448 T CB 1.069 69.990 68.868 0.088 0.000 1.040 448 T HN 0.406 nan 8.240 nan 0.000 0.528 449 M N 0.692 120.416 119.600 0.207 0.000 2.159 449 M HA -0.005 4.476 4.480 0.000 0.000 0.263 449 M C 1.739 178.178 176.300 0.232 0.000 1.063 449 M CA 1.880 57.312 55.300 0.221 0.000 1.110 449 M CB -1.243 31.412 32.600 0.091 0.000 1.374 449 M HN 0.897 nan 8.290 nan 0.000 0.411 450 D N -0.173 120.322 120.400 0.158 0.000 2.182 450 D HA -0.203 4.438 4.640 0.000 0.000 0.201 450 D C 1.364 177.767 176.300 0.172 0.000 0.986 450 D CA 1.587 55.672 54.000 0.141 0.000 0.847 450 D CB -0.104 40.752 40.800 0.094 0.000 0.942 450 D HN 0.457 nan 8.370 nan 0.000 0.467 451 D N -0.713 119.777 120.400 0.150 0.000 2.097 451 D HA -0.157 4.483 4.640 0.000 0.000 0.195 451 D C 1.910 178.273 176.300 0.105 0.000 0.989 451 D CA 0.749 54.805 54.000 0.093 0.000 0.827 451 D CB -0.432 40.353 40.800 -0.025 0.000 0.966 451 D HN 0.335 nan 8.370 nan 0.000 0.456 452 F N 1.268 121.285 119.950 0.112 0.000 2.134 452 F HA -0.056 4.471 4.527 0.000 0.000 0.299 452 F C 2.635 178.480 175.800 0.075 0.000 1.097 452 F CA 0.942 58.993 58.000 0.085 0.000 1.264 452 F CB -0.127 38.899 39.000 0.043 0.000 1.001 452 F HN -0.200 nan 8.300 nan 0.000 0.479 453 R N -1.350 119.309 120.500 0.265 0.000 2.152 453 R HA -0.231 4.109 4.340 0.000 0.000 0.232 453 R C 2.009 178.387 176.300 0.129 0.000 1.117 453 R CA 1.557 57.752 56.100 0.159 0.000 0.981 453 R CB -0.640 29.738 30.300 0.130 0.000 0.870 453 R HN 0.423 nan 8.270 nan 0.000 0.451 454 W N 0.847 122.165 121.300 0.030 0.000 2.408 454 W HA -0.107 4.554 4.660 0.001 0.000 0.311 454 W C 2.230 178.746 176.519 -0.005 0.000 1.190 454 W CA 1.685 59.032 57.345 0.004 0.000 1.321 454 W CB -0.379 29.072 29.460 -0.016 0.000 1.143 454 W HN 0.053 nan 8.180 nan 0.000 0.501 455 A N 0.389 123.266 122.820 0.094 0.000 1.908 455 A HA -0.229 4.091 4.320 0.000 0.000 0.218 455 A C 2.065 179.557 177.584 -0.153 0.000 1.181 455 A CA 1.975 53.964 52.037 -0.080 0.000 0.627 455 A CB -1.199 17.801 19.000 -0.001 0.000 0.818 455 A HN 0.402 nan 8.150 nan 0.000 0.445 456 L N 0.414 121.607 121.223 -0.050 0.000 2.042 456 L HA -0.240 4.100 4.340 0.000 0.000 0.210 456 L C 3.070 179.878 176.870 -0.103 0.000 1.076 456 L CA 1.815 56.632 54.840 -0.039 0.000 0.749 456 L CB -0.414 41.650 42.059 0.008 0.000 0.893 456 L HN 0.649 nan 8.230 nan 0.000 0.432 457 S N -1.327 114.257 115.700 -0.193 0.000 2.402 457 S HA -0.180 4.290 4.470 0.000 0.000 0.229 457 S C 1.808 176.240 174.600 -0.279 0.000 1.021 457 S CA 0.721 58.789 58.200 -0.219 0.000 0.974 457 S CB -0.189 62.857 63.200 -0.257 0.000 0.800 457 S HN 0.437 nan 8.310 nan 0.000 0.484 458 Q N 0.969 120.511 119.800 -0.429 0.000 2.408 458 Q HA 0.334 4.675 4.340 0.000 0.000 0.205 458 Q C 0.961 176.837 176.000 -0.207 0.000 0.919 458 Q CA 0.077 55.642 55.803 -0.397 0.000 0.932 458 Q CB -0.120 28.209 28.738 -0.680 0.000 1.058 458 Q HN 0.551 nan 8.270 nan 0.000 0.517 459 S N 0.991 116.614 115.700 -0.127 0.000 2.580 459 S HA 0.141 4.611 4.470 0.000 0.000 0.266 459 S C -0.025 174.562 174.600 -0.021 0.000 1.354 459 S CA -0.105 58.090 58.200 -0.009 0.000 1.008 459 S CB 0.387 63.691 63.200 0.173 0.000 0.898 459 S HN 0.244 nan 8.310 nan 0.000 0.555 460 N N 1.358 120.015 118.700 -0.071 0.000 2.308 460 N HA 0.405 5.145 4.740 0.000 0.000 0.283 460 N C -2.881 172.445 175.510 -0.308 0.000 1.105 460 N CA -1.177 51.788 53.050 -0.142 0.000 0.840 460 N CB 2.240 40.666 38.487 -0.102 0.000 1.633 460 N HN 0.425 nan 8.380 nan 0.000 0.476 461 P HA 0.106 nan 4.420 nan 0.000 0.277 461 P C -0.427 176.771 177.300 -0.169 0.000 1.271 461 P CA -0.316 62.610 63.100 -0.290 0.000 0.795 461 P CB 0.351 31.930 31.700 -0.201 0.000 1.101 462 S N -0.815 114.804 115.700 -0.135 0.000 3.829 462 S HA 0.384 4.855 4.470 0.000 0.000 0.250 462 S C 0.880 175.440 174.600 -0.067 0.000 1.263 462 S CA -0.662 57.488 58.200 -0.083 0.000 0.955 462 S CB -1.444 61.718 63.200 -0.062 0.000 1.611 462 S HN 0.689 nan 8.310 nan 0.000 0.483 463 A N 0.000 122.782 122.820 -0.063 0.000 2.254 463 A HA 0.000 4.320 4.320 0.000 0.000 0.244 463 A CA 0.000 52.008 52.037 -0.048 0.000 0.836 463 A CB 0.000 18.976 19.000 -0.040 0.000 0.831 463 A HN 0.000 nan 8.150 nan 0.000 0.486