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 3hu1_1_F DATA FIRST_RESID 12 DATA SEQUENCE LSTAILKQKN RPNRLIVDEA INEDNSVVSL SQPKMDELQL FRGDTVLLKG DATA SEQUENCE KKRREAVCIV LSDDTCSDEK IRMNRVVRNN LRVGLGDVIS 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 S 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 54.840 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 -1.025 114.677 115.700 0.004 0.000 2.395 13 S HA -0.066 4.405 4.470 0.001 0.000 0.225 13 S C 1.762 176.364 174.600 0.004 0.000 1.027 13 S CA 1.406 59.610 58.200 0.007 0.000 0.965 13 S CB -0.834 62.373 63.200 0.012 0.000 0.812 13 S HN 0.494 nan 8.310 nan 0.000 0.482 14 T N 1.562 116.116 114.554 -0.000 0.000 3.139 14 T HA 0.237 4.587 4.350 0.001 0.000 0.267 14 T C 1.643 176.338 174.700 -0.008 0.000 1.164 14 T CA 0.793 62.889 62.100 -0.006 0.000 1.075 14 T CB -0.950 67.913 68.868 -0.008 0.000 0.904 14 T HN 0.575 nan 8.240 nan 0.000 0.540 15 A N 1.157 123.973 122.820 -0.005 0.000 1.997 15 A HA -0.105 4.215 4.320 0.001 0.000 0.221 15 A C 2.155 179.734 177.584 -0.007 0.000 1.172 15 A CA 1.721 53.754 52.037 -0.007 0.000 0.645 15 A CB -0.731 18.265 19.000 -0.007 0.000 0.813 15 A HN 0.733 nan 8.150 nan 0.000 0.454 16 I N -0.993 119.574 120.570 -0.005 0.000 2.394 16 I HA -0.177 3.993 4.170 0.001 0.000 0.251 16 I C 1.947 178.058 176.117 -0.009 0.000 1.136 16 I CA 1.174 62.473 61.300 -0.001 0.000 1.425 16 I CB -0.035 37.972 38.000 0.011 0.000 1.079 16 I HN 0.329 nan 8.210 nan 0.000 0.425 17 L N 0.593 121.803 121.223 -0.022 0.000 2.291 17 L HA -0.057 4.283 4.340 0.001 0.000 0.214 17 L C 1.261 178.120 176.870 -0.018 0.000 1.120 17 L CA 0.348 55.168 54.840 -0.034 0.000 0.799 17 L CB -0.494 41.537 42.059 -0.047 0.000 0.925 17 L HN 0.112 nan 8.230 nan 0.000 0.446 18 K N 0.439 120.832 120.400 -0.011 0.000 2.489 18 K HA -0.099 4.221 4.320 0.001 0.000 0.278 18 K C 0.991 177.590 176.600 -0.001 0.000 1.000 18 K CA -0.065 56.218 56.287 -0.006 0.000 1.012 18 K CB 0.914 33.411 32.500 -0.006 0.000 0.903 18 K HN 0.068 nan 8.250 nan 0.000 0.485 19 Q N 3.176 122.977 119.800 0.002 0.000 2.123 19 Q HA -0.039 4.301 4.340 0.001 0.000 0.199 19 Q C -0.666 175.338 176.000 0.006 0.000 0.966 19 Q CA 0.923 56.730 55.803 0.007 0.000 0.845 19 Q CB -0.168 28.575 28.738 0.009 0.000 0.907 19 Q HN 0.550 nan 8.270 nan 0.000 0.439 20 K N 1.024 121.425 120.400 0.002 0.000 7.314 20 K HA -0.112 4.209 4.320 0.001 0.000 0.694 20 K C -1.290 175.311 176.600 0.001 0.000 2.568 20 K CA 0.190 56.477 56.287 0.000 0.000 1.889 20 K CB -0.411 32.088 32.500 -0.002 0.000 2.060 20 K HN 0.244 nan 8.250 nan 0.000 0.284 21 N N 3.895 122.595 118.700 -0.000 0.000 2.470 21 N HA 0.201 4.942 4.740 0.001 0.000 0.268 21 N C -0.302 175.207 175.510 -0.001 0.000 1.136 21 N CA -0.078 52.972 53.050 0.000 0.000 0.961 21 N CB 0.704 39.191 38.487 -0.001 0.000 1.067 21 N HN 0.283 nan 8.380 nan 0.000 0.468 22 R N 2.007 122.506 120.500 -0.000 0.000 2.795 22 R HA 0.376 4.716 4.340 0.001 0.000 0.275 22 R C -1.567 174.731 176.300 -0.002 0.000 0.981 22 R CA -1.524 54.575 56.100 -0.001 0.000 0.917 22 R CB 1.070 31.370 30.300 0.000 0.000 1.202 22 R HN 0.260 nan 8.270 nan 0.000 0.469 23 P HA -0.215 nan 4.420 nan 0.000 0.218 23 P C 0.555 177.851 177.300 -0.007 0.000 1.154 23 P CA 1.627 64.723 63.100 -0.006 0.000 0.872 23 P CB 0.142 31.837 31.700 -0.009 0.000 0.790 24 N N -1.297 117.398 118.700 -0.008 0.000 2.270 24 N HA -0.016 4.724 4.740 0.001 0.000 0.198 24 N C 0.457 175.964 175.510 -0.005 0.000 1.117 24 N CA -0.108 52.936 53.050 -0.009 0.000 0.845 24 N CB -0.003 38.476 38.487 -0.013 0.000 0.980 24 N HN 0.074 nan 8.380 nan 0.000 0.486 25 R N 1.034 121.533 120.500 -0.001 0.000 2.230 25 R HA 0.421 4.761 4.340 0.001 0.000 0.337 25 R C -0.867 175.434 176.300 0.001 0.000 1.063 25 R CA -0.234 55.867 56.100 0.002 0.000 0.935 25 R CB 0.471 30.774 30.300 0.004 0.000 1.121 25 R HN 0.150 nan 8.270 nan 0.000 0.486 26 L N 4.787 126.010 121.223 0.001 0.000 2.354 26 L HA 0.536 4.877 4.340 0.001 0.000 0.269 26 L C -0.233 176.639 176.870 0.003 0.000 1.005 26 L CA -1.012 53.829 54.840 0.001 0.000 0.819 26 L CB 2.235 44.294 42.059 -0.001 0.000 1.311 26 L HN 0.433 nan 8.230 nan 0.000 0.423 27 I N 2.367 122.939 120.570 0.003 0.000 2.474 27 I HA 0.150 4.321 4.170 0.001 0.000 0.287 27 I C 0.203 176.323 176.117 0.004 0.000 1.048 27 I CA -0.665 60.637 61.300 0.004 0.000 1.383 27 I CB 1.396 39.399 38.000 0.004 0.000 1.412 27 I HN 0.308 nan 8.210 nan 0.000 0.531 28 V N 2.283 122.200 119.914 0.005 0.000 2.488 28 V HA 0.406 4.526 4.120 0.001 0.000 0.277 28 V C -0.391 175.707 176.094 0.006 0.000 1.046 28 V CA -0.236 62.068 62.300 0.006 0.000 0.986 28 V CB 1.086 32.913 31.823 0.007 0.000 0.989 28 V HN 0.625 nan 8.190 nan 0.000 0.475 29 D N 2.574 122.978 120.400 0.006 0.000 2.350 29 D HA 0.383 5.023 4.640 0.001 0.000 0.238 29 D C -0.359 175.946 176.300 0.008 0.000 0.989 29 D CA -0.565 53.439 54.000 0.006 0.000 0.921 29 D CB 2.304 43.108 40.800 0.006 0.000 1.297 29 D HN 0.898 nan 8.370 nan 0.000 0.490 30 E N 0.372 120.577 120.200 0.008 0.000 2.413 30 E HA 0.406 4.756 4.350 0.001 0.000 0.263 30 E C -0.997 175.609 176.600 0.010 0.000 1.015 30 E CA -0.344 56.062 56.400 0.010 0.000 0.916 30 E CB 0.739 30.445 29.700 0.009 0.000 0.947 30 E HN 0.356 nan 8.360 nan 0.000 0.440 31 A N 4.308 127.135 122.820 0.013 0.000 2.354 31 A HA 0.354 4.674 4.320 0.001 0.000 0.269 31 A C 1.078 178.670 177.584 0.013 0.000 1.109 31 A CA 0.027 52.072 52.037 0.013 0.000 0.800 31 A CB -0.039 18.971 19.000 0.017 0.000 1.045 31 A HN 0.811 nan 8.150 nan 0.000 0.489 32 I N 0.060 120.637 120.570 0.011 0.000 2.494 32 I HA 0.107 4.277 4.170 0.001 0.000 0.250 32 I C 0.725 176.849 176.117 0.012 0.000 1.112 32 I CA 0.393 61.700 61.300 0.011 0.000 1.438 32 I CB -0.121 37.884 38.000 0.009 0.000 1.111 32 I HN 0.481 nan 8.210 nan 0.000 0.431 33 N N 2.563 121.271 118.700 0.012 0.000 2.415 33 N HA 0.058 4.798 4.740 0.001 0.000 0.246 33 N C -0.154 175.367 175.510 0.018 0.000 1.078 33 N CA 0.282 53.340 53.050 0.013 0.000 0.942 33 N CB 0.844 39.337 38.487 0.010 0.000 1.140 33 N HN 0.327 nan 8.380 nan 0.000 0.501 34 E N 1.277 121.490 120.200 0.022 0.000 2.368 34 E HA 0.022 4.372 4.350 0.001 0.000 0.188 34 E C -0.808 175.818 176.600 0.043 0.000 1.061 34 E CA -0.210 56.209 56.400 0.031 0.000 0.933 34 E CB 0.127 29.846 29.700 0.031 0.000 1.091 34 E HN 0.534 nan 8.360 nan 0.000 0.458 35 D N -0.361 120.060 120.400 0.034 0.000 2.345 35 D HA 0.037 4.677 4.640 0.001 0.000 0.247 35 D C 0.863 177.194 176.300 0.053 0.000 1.108 35 D CA -0.066 53.957 54.000 0.038 0.000 0.894 35 D CB 0.842 41.642 40.800 0.000 0.000 1.203 35 D HN -0.106 nan 8.370 nan 0.000 0.430 36 N N 1.094 119.851 118.700 0.095 0.000 2.364 36 N HA -0.104 4.636 4.740 0.001 0.000 0.183 36 N C 0.909 176.456 175.510 0.062 0.000 1.022 36 N CA 0.602 53.721 53.050 0.116 0.000 0.883 36 N CB 0.077 38.699 38.487 0.226 0.000 0.965 36 N HN 0.209 nan 8.380 nan 0.000 0.438 37 S N -0.417 115.291 115.700 0.014 0.000 2.575 37 S HA 0.148 4.618 4.470 0.001 0.000 0.215 37 S C 0.434 175.032 174.600 -0.004 0.000 0.966 37 S CA -0.297 57.898 58.200 -0.008 0.000 0.911 37 S CB 0.726 63.898 63.200 -0.046 0.000 0.780 37 S HN 0.033 nan 8.310 nan 0.000 0.514 38 V N 2.871 122.787 119.914 0.004 0.000 2.495 38 V HA 0.667 4.787 4.120 0.001 0.000 0.298 38 V C -0.801 175.297 176.094 0.006 0.000 1.031 38 V CA -0.655 61.647 62.300 0.003 0.000 0.871 38 V CB 1.687 33.511 31.823 0.002 0.000 0.988 38 V HN 0.164 nan 8.190 nan 0.000 0.432 39 V N 3.607 123.522 119.914 0.002 0.000 2.680 39 V HA 0.813 4.933 4.120 0.001 0.000 0.309 39 V C -0.223 175.872 176.094 0.002 0.000 1.052 39 V CA -0.414 61.887 62.300 0.002 0.000 0.908 39 V CB 1.901 33.722 31.823 -0.003 0.000 1.001 39 V HN 0.772 nan 8.190 nan 0.000 0.431 40 S N 4.676 120.378 115.700 0.004 0.000 2.472 40 S HA 0.859 5.330 4.470 0.001 0.000 0.303 40 S C -0.571 174.032 174.600 0.004 0.000 1.099 40 S CA -0.586 57.617 58.200 0.005 0.000 1.077 40 S CB 1.197 64.401 63.200 0.007 0.000 1.031 40 S HN 0.720 nan 8.310 nan 0.000 0.487 41 L N 1.835 123.061 121.223 0.005 0.000 2.371 41 L HA 0.567 4.907 4.340 0.001 0.000 0.262 41 L C 0.360 177.235 176.870 0.008 0.000 1.006 41 L CA -0.940 53.903 54.840 0.005 0.000 0.818 41 L CB 2.237 44.298 42.059 0.003 0.000 1.354 41 L HN 0.739 nan 8.230 nan 0.000 0.415 42 S N 0.125 115.829 115.700 0.007 0.000 2.572 42 S HA 0.013 4.484 4.470 0.001 0.000 0.279 42 S C 0.614 175.221 174.600 0.012 0.000 1.341 42 S CA -0.195 58.010 58.200 0.009 0.000 1.043 42 S CB 1.544 64.748 63.200 0.007 0.000 0.887 42 S HN 0.692 nan 8.310 nan 0.000 0.516 43 Q N 2.371 122.179 119.800 0.014 0.000 2.124 43 Q HA 0.048 4.388 4.340 0.001 0.000 0.202 43 Q C -0.972 175.040 176.000 0.020 0.000 0.977 43 Q CA 1.955 57.770 55.803 0.019 0.000 0.850 43 Q CB -1.641 27.108 28.738 0.019 0.000 0.901 43 Q HN 0.706 nan 8.270 nan 0.000 0.429 44 P HA -0.126 nan 4.420 nan 0.000 0.218 44 P C 0.647 177.954 177.300 0.011 0.000 1.149 44 P CA 1.441 64.549 63.100 0.013 0.000 0.817 44 P CB 0.022 31.728 31.700 0.010 0.000 0.785 45 K N -0.544 119.861 120.400 0.008 0.000 2.155 45 K HA 0.036 4.357 4.320 0.001 0.000 0.203 45 K C 1.994 178.595 176.600 0.001 0.000 1.052 45 K CA 1.302 57.591 56.287 0.003 0.000 0.948 45 K CB -0.830 31.671 32.500 0.001 0.000 0.728 45 K HN 0.030 nan 8.250 nan 0.000 0.448 46 M N 0.488 120.093 119.600 0.009 0.000 2.175 46 M HA -0.141 4.340 4.480 0.001 0.000 0.264 46 M C 1.042 177.351 176.300 0.015 0.000 1.063 46 M CA 1.479 56.785 55.300 0.011 0.000 1.119 46 M CB -0.194 32.424 32.600 0.029 0.000 1.377 46 M HN 0.101 nan 8.290 nan 0.000 0.415 47 D N 0.074 120.492 120.400 0.029 0.000 2.183 47 D HA -0.140 4.500 4.640 0.001 0.000 0.203 47 D C 1.793 178.102 176.300 0.015 0.000 0.969 47 D CA 1.004 55.027 54.000 0.039 0.000 0.842 47 D CB -0.231 40.595 40.800 0.044 0.000 0.957 47 D HN 0.461 nan 8.370 nan 0.000 0.484 48 E N 0.311 120.514 120.200 0.005 0.000 2.150 48 E HA -0.080 4.270 4.350 0.001 0.000 0.193 48 E C 1.726 178.315 176.600 -0.018 0.000 0.985 48 E CA 0.455 56.853 56.400 -0.004 0.000 0.814 48 E CB 0.143 29.841 29.700 -0.003 0.000 0.752 48 E HN 0.247 nan 8.360 nan 0.000 0.466 49 L N 0.246 121.452 121.223 -0.029 0.000 2.607 49 L HA 0.113 4.453 4.340 0.001 0.000 0.228 49 L C 0.106 176.923 176.870 -0.088 0.000 1.123 49 L CA 0.014 54.825 54.840 -0.049 0.000 0.890 49 L CB 0.153 42.184 42.059 -0.045 0.000 1.103 49 L HN 0.044 nan 8.230 nan 0.000 0.468 50 Q N 0.891 120.635 119.800 -0.094 0.000 2.452 50 Q HA -0.179 4.161 4.340 0.001 0.000 0.318 50 Q C -0.706 175.088 176.000 -0.344 0.000 1.386 50 Q CA 0.517 56.209 55.803 -0.185 0.000 0.872 50 Q CB -1.441 27.189 28.738 -0.180 0.000 1.151 50 Q HN 0.444 nan 8.270 nan 0.000 0.417 51 L N 1.256 122.345 121.223 -0.222 0.000 2.295 51 L HA 0.496 4.836 4.340 0.001 0.000 0.281 51 L C 0.229 177.065 176.870 -0.057 0.000 1.018 51 L CA -0.534 54.183 54.840 -0.204 0.000 0.841 51 L CB 0.619 42.623 42.059 -0.092 0.000 1.218 51 L HN 0.133 nan 8.230 nan 0.000 0.424 52 F N 1.607 121.550 119.950 -0.012 0.000 2.403 52 F HA 0.317 4.845 4.527 0.001 0.000 0.320 52 F C 1.182 176.974 175.800 -0.014 0.000 1.176 52 F CA -0.899 57.094 58.000 -0.012 0.000 1.206 52 F CB 0.501 39.493 39.000 -0.013 0.000 1.235 52 F HN 0.419 nan 8.300 nan 0.000 0.565 53 R N 0.633 121.254 120.500 0.202 0.000 2.522 53 R HA 0.194 4.534 4.340 0.001 0.000 0.284 53 R C 0.847 177.196 176.300 0.080 0.000 1.032 53 R CA 1.008 57.166 56.100 0.098 0.000 1.049 53 R CB 0.092 30.428 30.300 0.060 0.000 0.956 53 R HN 0.957 nan 8.270 nan 0.000 0.422 54 G N 3.046 111.875 108.800 0.048 0.000 2.153 54 G HA2 -0.238 3.722 3.960 0.001 0.000 0.252 54 G HA3 -0.238 3.722 3.960 0.001 0.000 0.252 54 G C -0.475 174.440 174.900 0.025 0.000 0.994 54 G CA 0.235 45.352 45.100 0.030 0.000 0.698 54 G HN 0.651 nan 8.290 nan 0.000 0.521 55 D N 1.293 121.711 120.400 0.030 0.000 2.345 55 D HA 0.449 5.089 4.640 0.001 0.000 0.247 55 D C 1.243 177.529 176.300 -0.023 0.000 1.108 55 D CA 0.810 54.812 54.000 0.003 0.000 0.894 55 D CB 0.957 41.747 40.800 -0.016 0.000 1.203 55 D HN 0.388 nan 8.370 nan 0.000 0.430 56 T N -1.215 113.316 114.554 -0.039 0.000 2.834 56 T HA 0.410 4.761 4.350 0.001 0.000 0.298 56 T C 0.434 175.090 174.700 -0.074 0.000 0.966 56 T CA -0.811 61.255 62.100 -0.056 0.000 1.141 56 T CB 0.401 69.230 68.868 -0.065 0.000 0.905 56 T HN 0.206 nan 8.240 nan 0.000 0.535 57 V N 1.218 121.081 119.914 -0.084 0.000 2.914 57 V HA 0.817 4.937 4.120 0.001 0.000 0.314 57 V C -0.718 175.296 176.094 -0.135 0.000 1.084 57 V CA -1.492 60.751 62.300 -0.095 0.000 0.963 57 V CB 1.710 33.492 31.823 -0.068 0.000 1.025 57 V HN 0.834 nan 8.190 nan 0.000 0.432 58 L N 4.081 125.219 121.223 -0.142 0.000 2.287 58 L HA 0.689 5.029 4.340 0.001 0.000 0.287 58 L C -0.752 176.059 176.870 -0.099 0.000 1.022 58 L CA -0.216 54.521 54.840 -0.171 0.000 0.814 58 L CB 0.921 42.858 42.059 -0.203 0.000 1.217 58 L HN 0.748 nan 8.230 nan 0.000 0.420 59 L N 5.289 126.460 121.223 -0.085 0.000 2.322 59 L HA 0.556 4.896 4.340 0.001 0.000 0.281 59 L C -0.281 176.571 176.870 -0.030 0.000 1.014 59 L CA -0.692 54.120 54.840 -0.045 0.000 0.815 59 L CB 1.485 43.524 42.059 -0.033 0.000 1.247 59 L HN 0.534 nan 8.230 nan 0.000 0.421 60 K N 1.547 121.939 120.400 -0.014 0.000 2.274 60 K HA 0.582 4.902 4.320 0.001 0.000 0.262 60 K C 0.174 176.778 176.600 0.007 0.000 0.961 60 K CA -0.401 55.887 56.287 0.001 0.000 0.833 60 K CB 2.240 34.745 32.500 0.009 0.000 1.102 60 K HN 0.736 nan 8.250 nan 0.000 0.436 61 G N 2.221 111.026 108.800 0.009 0.000 2.945 61 G HA2 0.304 4.264 3.960 0.001 0.000 0.156 61 G HA3 0.304 4.264 3.960 0.001 0.000 0.156 61 G C -0.638 174.270 174.900 0.013 0.000 1.375 61 G CA -0.405 44.701 45.100 0.010 0.000 1.039 61 G HN 0.382 nan 8.290 nan 0.000 0.586 62 K N -0.298 120.107 120.400 0.008 0.000 2.106 62 K HA 0.409 4.729 4.320 0.001 0.000 0.246 62 K C -0.360 176.231 176.600 -0.015 0.000 0.987 62 K CA -0.512 55.778 56.287 0.004 0.000 0.904 62 K CB 1.145 33.646 32.500 0.001 0.000 1.071 62 K HN 0.351 nan 8.250 nan 0.000 0.453 63 K N 1.152 121.529 120.400 -0.038 0.000 3.071 63 K HA -0.271 4.049 4.320 0.001 0.000 0.262 63 K C -0.289 176.280 176.600 -0.051 0.000 0.977 63 K CA 0.939 57.179 56.287 -0.078 0.000 0.721 63 K CB -1.100 31.341 32.500 -0.098 0.000 1.293 63 K HN 0.755 nan 8.250 nan 0.000 0.475 64 R N -1.145 119.342 120.500 -0.022 0.000 3.878 64 R HA -0.203 4.137 4.340 0.001 0.000 0.330 64 R C -0.877 175.429 176.300 0.009 0.000 1.186 64 R CA 1.373 57.472 56.100 -0.002 0.000 0.885 64 R CB -0.661 29.633 30.300 -0.010 0.000 1.377 64 R HN 0.298 nan 8.270 nan 0.000 0.523 65 R N 1.060 121.564 120.500 0.006 0.000 2.459 65 R HA 0.399 4.739 4.340 0.001 0.000 0.281 65 R C -0.147 176.165 176.300 0.021 0.000 1.050 65 R CA -0.210 55.899 56.100 0.015 0.000 1.055 65 R CB 1.076 31.381 30.300 0.008 0.000 1.045 65 R HN 0.391 nan 8.270 nan 0.000 0.495 66 E N -0.116 120.102 120.200 0.029 0.000 2.393 66 E HA 0.720 5.070 4.350 0.001 0.000 0.273 66 E C -1.333 175.277 176.600 0.017 0.000 0.918 66 E CA -0.957 55.454 56.400 0.017 0.000 0.773 66 E CB 2.543 32.257 29.700 0.023 0.000 1.275 66 E HN 0.635 nan 8.360 nan 0.000 0.451 67 A N 0.728 123.539 122.820 -0.015 0.000 2.520 67 A HA 0.584 4.904 4.320 0.001 0.000 0.298 67 A C -1.135 176.404 177.584 -0.074 0.000 1.051 67 A CA -0.775 51.254 52.037 -0.014 0.000 0.690 67 A CB 1.292 20.299 19.000 0.011 0.000 1.281 67 A HN 0.357 nan 8.150 nan 0.000 0.402 68 V N -0.911 118.954 119.914 -0.081 0.000 2.370 68 V HA 0.710 4.830 4.120 0.001 0.000 0.279 68 V C -0.045 176.011 176.094 -0.062 0.000 1.029 68 V CA -0.739 61.484 62.300 -0.129 0.000 0.870 68 V CB -0.007 31.694 31.823 -0.203 0.000 0.984 68 V HN 0.933 nan 8.190 nan 0.000 0.451 69 C N 4.537 123.799 119.300 -0.063 0.000 2.848 69 C HA 0.702 5.162 4.460 0.001 0.000 0.317 69 C C -0.016 174.953 174.990 -0.036 0.000 1.260 69 C CA -0.715 58.282 59.018 -0.034 0.000 1.656 69 C CB 1.919 29.645 27.740 -0.022 0.000 2.174 69 C HN 0.989 nan 8.230 nan 0.000 0.479 70 I N 1.444 122.002 120.570 -0.020 0.000 2.336 70 I HA 0.467 4.637 4.170 0.001 0.000 0.292 70 I C -0.311 175.801 176.117 -0.009 0.000 0.991 70 I CA -0.033 61.258 61.300 -0.014 0.000 1.227 70 I CB 1.013 39.011 38.000 -0.004 0.000 1.366 70 I HN 0.438 nan 8.210 nan 0.000 0.466 71 V N 8.520 128.429 119.914 -0.008 0.000 2.465 71 V HA 0.509 4.630 4.120 0.001 0.000 0.279 71 V C -0.418 175.682 176.094 0.010 0.000 1.045 71 V CA -0.245 62.054 62.300 -0.003 0.000 0.938 71 V CB 1.285 33.102 31.823 -0.010 0.000 0.986 71 V HN 0.564 nan 8.190 nan 0.000 0.467 72 L N 5.288 126.517 121.223 0.010 0.000 2.354 72 L HA 0.616 4.956 4.340 0.001 0.000 0.264 72 L C -0.013 176.866 176.870 0.015 0.000 1.008 72 L CA -0.752 54.097 54.840 0.015 0.000 0.819 72 L CB 2.624 44.690 42.059 0.011 0.000 1.339 72 L HN 0.688 nan 8.230 nan 0.000 0.420 73 S N -0.609 115.101 115.700 0.018 0.000 2.499 73 S HA 0.441 4.911 4.470 0.001 0.000 0.275 73 S C -0.814 173.793 174.600 0.012 0.000 1.257 73 S CA -0.669 57.541 58.200 0.017 0.000 1.050 73 S CB 1.446 64.659 63.200 0.021 0.000 0.937 73 S HN 0.560 nan 8.310 nan 0.000 0.490 74 D N 0.721 121.127 120.400 0.011 0.000 2.619 74 D HA 0.415 5.055 4.640 0.001 0.000 0.241 74 D C -0.420 175.885 176.300 0.008 0.000 1.087 74 D CA -0.657 53.349 54.000 0.009 0.000 0.851 74 D CB 2.133 42.937 40.800 0.008 0.000 1.474 74 D HN 0.447 nan 8.370 nan 0.000 0.478 75 D N 0.333 120.737 120.400 0.007 0.000 2.262 75 D HA -0.024 4.616 4.640 0.001 0.000 0.212 75 D C 1.570 177.873 176.300 0.006 0.000 0.964 75 D CA 0.566 54.569 54.000 0.006 0.000 0.875 75 D CB 0.158 40.962 40.800 0.006 0.000 0.996 75 D HN 0.394 nan 8.370 nan 0.000 0.497 76 T N -0.478 114.079 114.554 0.005 0.000 3.007 76 T HA -0.085 4.266 4.350 0.001 0.000 0.270 76 T C 0.773 175.476 174.700 0.005 0.000 1.107 76 T CA 0.249 62.352 62.100 0.005 0.000 1.118 76 T CB -0.554 68.317 68.868 0.005 0.000 0.889 76 T HN 0.207 nan 8.240 nan 0.000 0.506 77 C N 2.478 121.782 119.300 0.006 0.000 2.527 77 C HA 0.636 5.096 4.460 0.001 0.000 0.396 77 C C 0.860 175.853 174.990 0.005 0.000 1.289 77 C CA -0.852 58.169 59.018 0.005 0.000 2.047 77 C CB -0.280 27.464 27.740 0.006 0.000 2.568 77 C HN 0.480 nan 8.230 nan 0.000 0.573 78 S N 4.093 119.796 115.700 0.004 0.000 2.593 78 S HA 0.086 4.557 4.470 0.001 0.000 0.269 78 S C 0.858 175.460 174.600 0.004 0.000 1.334 78 S CA -0.310 57.893 58.200 0.004 0.000 1.015 78 S CB 0.945 64.147 63.200 0.003 0.000 0.912 78 S HN 0.884 nan 8.310 nan 0.000 0.541 79 D N 1.762 122.165 120.400 0.004 0.000 2.103 79 D HA -0.148 4.492 4.640 0.001 0.000 0.190 79 D C 1.267 177.569 176.300 0.002 0.000 0.997 79 D CA 1.573 55.575 54.000 0.003 0.000 0.833 79 D CB -0.109 40.693 40.800 0.003 0.000 0.961 79 D HN 0.676 nan 8.370 nan 0.000 0.447 80 E N -0.021 120.181 120.200 0.002 0.000 2.335 80 E HA 0.224 4.574 4.350 0.001 0.000 0.191 80 E C -0.248 176.353 176.600 0.002 0.000 1.077 80 E CA -0.048 56.353 56.400 0.001 0.000 1.010 80 E CB -0.142 29.559 29.700 0.001 0.000 1.141 80 E HN 0.072 nan 8.360 nan 0.000 0.452 81 K N 0.412 120.814 120.400 0.002 0.000 2.328 81 K HA 0.594 4.915 4.320 0.001 0.000 0.246 81 K C -1.056 175.545 176.600 0.002 0.000 0.955 81 K CA -1.017 55.272 56.287 0.003 0.000 0.817 81 K CB 2.280 34.782 32.500 0.003 0.000 1.208 81 K HN 0.120 nan 8.250 nan 0.000 0.432 82 I N 1.535 122.106 120.570 0.002 0.000 2.465 82 I HA 0.352 4.523 4.170 0.001 0.000 0.291 82 I C -0.961 175.158 176.117 0.004 0.000 1.014 82 I CA -0.777 60.525 61.300 0.002 0.000 1.093 82 I CB 1.185 39.185 38.000 -0.000 0.000 1.267 82 I HN 0.473 nan 8.210 nan 0.000 0.431 83 R N 8.689 129.192 120.500 0.005 0.000 2.312 83 R HA 0.698 5.039 4.340 0.001 0.000 0.311 83 R C -0.972 175.333 176.300 0.009 0.000 1.004 83 R CA -0.579 55.525 56.100 0.007 0.000 0.902 83 R CB 1.582 31.887 30.300 0.008 0.000 1.073 83 R HN 0.669 nan 8.270 nan 0.000 0.457 84 M N 0.295 119.902 119.600 0.012 0.000 2.414 84 M HA 0.347 4.827 4.480 0.001 0.000 0.287 84 M C -0.999 175.313 176.300 0.020 0.000 1.181 84 M CA -1.322 53.988 55.300 0.016 0.000 0.933 84 M CB 1.890 34.499 32.600 0.015 0.000 1.732 84 M HN 0.386 nan 8.290 nan 0.000 0.486 85 N N 1.809 120.526 118.700 0.027 0.000 2.290 85 N HA 0.301 5.041 4.740 0.001 0.000 0.269 85 N C 0.228 175.757 175.510 0.031 0.000 1.295 85 N CA -0.189 52.879 53.050 0.031 0.000 0.932 85 N CB 0.393 38.904 38.487 0.039 0.000 1.128 85 N HN 0.843 nan 8.380 nan 0.000 0.532 86 R N -1.136 119.383 120.500 0.032 0.000 2.092 86 R HA 0.005 4.345 4.340 0.001 0.000 0.231 86 R C 1.835 178.158 176.300 0.038 0.000 1.119 86 R CA 0.887 57.004 56.100 0.028 0.000 0.970 86 R CB -0.582 29.731 30.300 0.022 0.000 0.864 86 R HN 0.357 nan 8.270 nan 0.000 0.440 87 V N 0.557 120.503 119.914 0.055 0.000 2.332 87 V HA -0.233 3.887 4.120 0.001 0.000 0.248 87 V C 2.338 178.479 176.094 0.078 0.000 1.055 87 V CA 1.658 64.005 62.300 0.078 0.000 1.038 87 V CB -0.260 31.633 31.823 0.116 0.000 0.651 87 V HN 0.121 nan 8.190 nan 0.000 0.450 88 V N -0.460 119.493 119.914 0.066 0.000 2.307 88 V HA -0.238 3.883 4.120 0.001 0.000 0.245 88 V C 2.533 178.650 176.094 0.039 0.000 1.045 88 V CA 2.037 64.369 62.300 0.052 0.000 1.024 88 V CB -0.781 31.066 31.823 0.039 0.000 0.651 88 V HN 0.427 nan 8.190 nan 0.000 0.449 89 R N 0.040 120.559 120.500 0.031 0.000 2.091 89 R HA -0.209 4.132 4.340 0.001 0.000 0.238 89 R C 2.234 178.547 176.300 0.021 0.000 1.136 89 R CA 2.079 58.192 56.100 0.022 0.000 0.959 89 R CB -0.441 29.870 30.300 0.017 0.000 0.856 89 R HN 0.569 nan 8.270 nan 0.000 0.437 90 N N 0.189 118.904 118.700 0.026 0.000 2.084 90 N HA -0.134 4.607 4.740 0.001 0.000 0.190 90 N C 1.202 176.728 175.510 0.027 0.000 1.030 90 N CA 1.556 54.619 53.050 0.022 0.000 0.849 90 N CB -0.083 38.418 38.487 0.024 0.000 1.012 90 N HN 0.278 nan 8.380 nan 0.000 0.423 91 N N -0.334 118.392 118.700 0.043 0.000 2.309 91 N HA -0.037 4.704 4.740 0.001 0.000 0.182 91 N C 0.801 176.332 175.510 0.034 0.000 1.018 91 N CA 0.531 53.611 53.050 0.050 0.000 0.876 91 N CB 0.058 38.590 38.487 0.075 0.000 0.972 91 N HN 0.204 nan 8.380 nan 0.000 0.434 92 L N 0.550 121.788 121.223 0.025 0.000 2.592 92 L HA 0.204 4.545 4.340 0.001 0.000 0.227 92 L C 0.034 176.909 176.870 0.008 0.000 1.127 92 L CA -0.117 54.732 54.840 0.016 0.000 0.884 92 L CB 0.091 42.158 42.059 0.013 0.000 1.065 92 L HN 0.076 nan 8.230 nan 0.000 0.457 93 R N 0.295 120.799 120.500 0.006 0.000 3.322 93 R HA -0.139 4.202 4.340 0.001 0.000 0.253 93 R C -0.578 175.720 176.300 -0.002 0.000 0.987 93 R CA 0.760 56.858 56.100 -0.003 0.000 0.666 93 R CB -2.603 27.689 30.300 -0.014 0.000 1.072 93 R HN 0.308 nan 8.270 nan 0.000 0.447 94 V N -3.405 116.511 119.914 0.003 0.000 2.823 94 V HA 0.992 5.112 4.120 0.001 0.000 0.312 94 V C 0.682 176.778 176.094 0.004 0.000 1.072 94 V CA -0.316 61.986 62.300 0.004 0.000 0.937 94 V CB 2.616 34.443 31.823 0.007 0.000 1.013 94 V HN 0.258 nan 8.190 nan 0.000 0.430 95 G N 2.103 110.905 108.800 0.003 0.000 2.509 95 G HA2 0.637 4.597 3.960 0.001 0.000 0.328 95 G HA3 0.637 4.597 3.960 0.001 0.000 0.328 95 G C -0.824 174.079 174.900 0.005 0.000 1.194 95 G CA -1.236 43.866 45.100 0.004 0.000 0.967 95 G HN 0.876 nan 8.290 nan 0.000 0.488 96 L N 1.028 122.254 121.223 0.005 0.000 2.601 96 L HA 0.317 4.657 4.340 0.001 0.000 0.277 96 L C 1.628 178.501 176.870 0.005 0.000 1.219 96 L CA 2.159 57.002 54.840 0.005 0.000 0.915 96 L CB 0.446 42.508 42.059 0.005 0.000 1.160 96 L HN 1.128 nan 8.230 nan 0.000 0.494 97 G N 1.081 109.884 108.800 0.005 0.000 2.254 97 G HA2 -0.223 3.738 3.960 0.001 0.000 0.225 97 G HA3 -0.223 3.738 3.960 0.001 0.000 0.225 97 G C 0.122 175.026 174.900 0.006 0.000 1.003 97 G CA -0.190 44.913 45.100 0.005 0.000 0.622 97 G HN 0.567 nan 8.290 nan 0.000 0.507 98 D N 1.091 121.496 120.400 0.007 0.000 2.372 98 D HA 0.447 5.087 4.640 0.001 0.000 0.243 98 D C 1.155 177.461 176.300 0.009 0.000 1.121 98 D CA 0.491 54.496 54.000 0.009 0.000 0.898 98 D CB 1.691 42.497 40.800 0.009 0.000 1.202 98 D HN 0.916 nan 8.370 nan 0.000 0.428 99 V N -0.404 119.516 119.914 0.011 0.000 2.649 99 V HA 0.603 4.723 4.120 0.001 0.000 0.292 99 V C 0.194 176.294 176.094 0.011 0.000 1.055 99 V CA -0.631 61.675 62.300 0.010 0.000 1.023 99 V CB 0.620 32.450 31.823 0.011 0.000 0.992 99 V HN 0.447 nan 8.190 nan 0.000 0.480 100 I N 1.103 121.678 120.570 0.008 0.000 3.042 100 I HA 0.804 4.974 4.170 0.001 0.000 0.310 100 I C -0.048 176.072 176.117 0.004 0.000 1.117 100 I CA -0.745 60.559 61.300 0.007 0.000 1.003 100 I CB 2.065 40.067 38.000 0.004 0.000 1.228 100 I HN 0.504 nan 8.210 nan 0.000 0.443 101 S N 3.289 118.991 115.700 0.004 0.000 2.525 101 S HA 0.653 5.123 4.470 0.001 0.000 0.278 101 S C -0.436 174.158 174.600 -0.011 0.000 1.234 101 S CA -0.399 57.800 58.200 -0.000 0.000 1.058 101 S CB 0.823 64.026 63.200 0.005 0.000 0.983 101 S HN 0.631 nan 8.310 nan 0.000 0.495 102 I N 2.631 123.192 120.570 -0.015 0.000 2.465 102 I HA 0.415 4.585 4.170 0.001 0.000 0.291 102 I C -0.792 175.306 176.117 -0.031 0.000 1.014 102 I CA -0.419 60.865 61.300 -0.026 0.000 1.093 102 I CB 1.450 39.435 38.000 -0.025 0.000 1.267 102 I HN 0.546 nan 8.210 nan 0.000 0.431 103 Q N 8.397 128.171 119.800 -0.043 0.000 2.356 103 Q HA 0.545 4.885 4.340 0.001 0.000 0.270 103 Q C -2.548 173.415 176.000 -0.062 0.000 1.058 103 Q CA -2.084 53.692 55.803 -0.045 0.000 0.802 103 Q CB 2.554 31.268 28.738 -0.040 0.000 1.303 103 Q HN 0.340 nan 8.270 nan 0.000 0.444 104 P HA -0.018 nan 4.420 nan 0.000 0.268 104 P C -0.738 176.522 177.300 -0.066 0.000 1.205 104 P CA -0.042 63.012 63.100 -0.076 0.000 0.771 104 P CB 0.686 32.334 31.700 -0.088 0.000 0.858 105 C N 5.530 124.788 119.300 -0.071 0.000 3.445 105 C HA 0.333 4.793 4.460 0.001 0.000 0.213 105 C C -1.812 173.154 174.990 -0.039 0.000 1.319 105 C CA -1.491 57.492 59.018 -0.059 0.000 1.402 105 C CB -0.348 27.321 27.740 -0.118 0.000 1.819 105 C HN 0.437 nan 8.230 nan 0.000 0.491 106 P HA 0.143 nan 4.420 nan 0.000 0.257 106 P C 0.868 178.166 177.300 -0.003 0.000 1.281 106 P CA 0.741 63.828 63.100 -0.022 0.000 0.826 106 P CB 0.163 31.848 31.700 -0.025 0.000 1.237 107 D N -0.235 120.181 120.400 0.026 0.000 2.277 107 D HA -0.021 4.619 4.640 0.001 0.000 0.208 107 D C 0.408 176.737 176.300 0.050 0.000 0.962 107 D CA 0.533 54.563 54.000 0.050 0.000 0.865 107 D CB 0.075 40.932 40.800 0.095 0.000 0.939 107 D HN 0.004 nan 8.370 nan 0.000 0.510 108 V N 2.835 122.783 119.914 0.055 0.000 2.475 108 V HA -0.095 4.025 4.120 0.001 0.000 0.292 108 V C 0.806 176.864 176.094 -0.060 0.000 1.003 108 V CA 0.185 62.515 62.300 0.050 0.000 1.120 108 V CB -0.282 31.560 31.823 0.031 0.000 0.937 108 V HN -0.037 nan 8.190 nan 0.000 0.476 109 K N 3.990 124.374 120.400 -0.027 0.000 2.219 109 K HA 0.362 4.683 4.320 0.001 0.000 0.258 109 K C -0.537 176.020 176.600 -0.072 0.000 1.008 109 K CA -0.453 55.820 56.287 -0.023 0.000 0.928 109 K CB 0.493 33.010 32.500 0.027 0.000 0.983 109 K HN 0.523 nan 8.250 nan 0.000 0.484 110 Y N 0.312 120.644 120.300 0.053 0.000 2.425 110 Y HA 0.099 4.649 4.550 0.001 0.000 0.331 110 Y C 1.365 177.287 175.900 0.037 0.000 1.157 110 Y CA 0.040 58.178 58.100 0.063 0.000 1.372 110 Y CB 0.626 39.130 38.460 0.073 0.000 1.253 110 Y HN 0.666 nan 8.280 nan 0.000 0.536 111 G N 2.860 111.765 108.800 0.175 0.000 2.398 111 G HA2 0.119 4.079 3.960 0.001 0.000 0.246 111 G HA3 0.119 4.079 3.960 0.001 0.000 0.246 111 G C 0.436 175.376 174.900 0.068 0.000 1.289 111 G CA -0.405 44.744 45.100 0.082 0.000 0.869 111 G HN 0.732 nan 8.290 nan 0.000 0.543 112 K N 1.023 121.450 120.400 0.046 0.000 2.102 112 K HA 0.204 4.524 4.320 0.001 0.000 0.206 112 K C 0.917 177.531 176.600 0.023 0.000 1.031 112 K CA 0.669 56.977 56.287 0.034 0.000 0.962 112 K CB 0.275 32.796 32.500 0.036 0.000 0.811 112 K HN 0.495 nan 8.250 nan 0.000 0.453 113 R N 0.446 120.971 120.500 0.041 0.000 2.574 113 R HA 0.431 4.772 4.340 0.001 0.000 0.288 113 R C -1.129 175.221 176.300 0.084 0.000 1.004 113 R CA -0.652 55.495 56.100 0.079 0.000 0.895 113 R CB 1.851 32.243 30.300 0.152 0.000 1.191 113 R HN 0.253 nan 8.270 nan 0.000 0.444 114 I N -1.852 118.763 120.570 0.076 0.000 2.646 114 I HA 0.532 4.703 4.170 0.001 0.000 0.299 114 I C -0.902 175.320 176.117 0.175 0.000 1.036 114 I CA -0.902 60.454 61.300 0.094 0.000 1.074 114 I CB 2.294 40.298 38.000 0.006 0.000 1.258 114 I HN 0.596 nan 8.210 nan 0.000 0.430 115 H N 4.773 123.908 119.070 0.109 0.000 2.708 115 H HA 0.717 5.273 4.556 0.001 0.000 0.320 115 H C -1.208 174.205 175.328 0.142 0.000 0.991 115 H CA -0.682 55.442 56.048 0.126 0.000 1.243 115 H CB 1.490 31.300 29.762 0.079 0.000 1.446 115 H HN 0.692 nan 8.280 nan 0.000 0.502 116 V N 3.586 123.590 119.914 0.151 0.000 2.715 116 V HA 0.671 4.791 4.120 0.001 0.000 0.310 116 V C -0.860 175.362 176.094 0.213 0.000 1.054 116 V CA -0.898 61.542 62.300 0.233 0.000 0.928 116 V CB 1.970 33.944 31.823 0.252 0.000 1.007 116 V HN 0.624 nan 8.190 nan 0.000 0.437 117 L N 3.653 125.041 121.223 0.275 0.000 2.445 117 L HA 0.647 4.987 4.340 0.001 0.000 0.262 117 L C -2.697 174.279 176.870 0.177 0.000 0.974 117 L CA -1.781 53.199 54.840 0.234 0.000 0.822 117 L CB 3.389 45.556 42.059 0.180 0.000 1.339 117 L HN 0.492 nan 8.230 nan 0.000 0.409 118 P HA 0.283 nan 4.420 nan 0.000 0.282 118 P C -0.769 176.375 177.300 -0.260 0.000 1.249 118 P CA -0.405 62.477 63.100 -0.364 0.000 0.806 118 P CB 1.187 32.610 31.700 -0.461 0.000 0.984 119 I N 3.494 123.863 120.570 -0.335 0.000 2.452 119 I HA -0.010 4.161 4.170 0.001 0.000 0.287 119 I C 1.867 177.862 176.117 -0.204 0.000 1.079 119 I CA 0.360 61.529 61.300 -0.219 0.000 1.387 119 I CB 0.010 37.889 38.000 -0.202 0.000 1.404 119 I HN 0.417 nan 8.210 nan 0.000 0.522 120 D N 5.041 125.359 120.400 -0.137 0.000 2.154 120 D HA -0.330 4.311 4.640 0.001 0.000 0.190 120 D C 1.262 177.494 176.300 -0.114 0.000 1.003 120 D CA 2.174 56.107 54.000 -0.111 0.000 0.849 120 D CB -0.510 40.246 40.800 -0.073 0.000 0.942 120 D HN 0.694 nan 8.370 nan 0.000 0.446 121 D N 0.137 120.472 120.400 -0.108 0.000 2.312 121 D HA -0.124 4.516 4.640 0.001 0.000 0.211 121 D C 1.610 177.842 176.300 -0.114 0.000 0.964 121 D CA 1.661 55.604 54.000 -0.095 0.000 0.877 121 D CB -0.938 39.816 40.800 -0.078 0.000 0.924 121 D HN 0.462 nan 8.370 nan 0.000 0.515 122 T N -2.310 112.147 114.554 -0.161 0.000 3.235 122 T HA 0.261 4.612 4.350 0.001 0.000 0.251 122 T C 0.976 175.537 174.700 -0.231 0.000 1.060 122 T CA -0.327 61.657 62.100 -0.195 0.000 0.949 122 T CB 0.248 68.967 68.868 -0.249 0.000 1.020 122 T HN 0.010 nan 8.240 nan 0.000 0.564 123 V N 0.318 120.120 119.914 -0.187 0.000 3.415 123 V HA 0.309 4.429 4.120 0.001 0.000 0.315 123 V C -0.425 175.611 176.094 -0.097 0.000 1.516 123 V CA -0.522 61.670 62.300 -0.180 0.000 1.122 123 V CB 0.443 32.120 31.823 -0.243 0.000 0.988 123 V HN 0.472 nan 8.190 nan 0.000 0.474 124 E N 1.272 121.427 120.200 -0.075 0.000 2.324 124 E HA 0.519 4.869 4.350 0.001 0.000 0.271 124 E C 0.502 177.086 176.600 -0.026 0.000 1.028 124 E CA 0.859 57.232 56.400 -0.044 0.000 0.890 124 E CB 0.916 30.592 29.700 -0.040 0.000 1.004 124 E HN 0.575 nan 8.360 nan 0.000 0.431 125 G N 3.286 112.079 108.800 -0.012 0.000 3.190 125 G HA2 -0.128 3.832 3.960 0.001 0.000 0.686 125 G HA3 -0.128 3.832 3.960 0.001 0.000 0.686 125 G C -0.259 174.652 174.900 0.019 0.000 1.033 125 G CA -0.740 44.362 45.100 0.003 0.000 0.797 125 G HN 0.771 nan 8.290 nan 0.000 0.567 126 I N 0.919 121.506 120.570 0.028 0.000 7.699 126 I HA -0.261 3.909 4.170 0.001 0.000 0.126 126 I C 1.507 177.665 176.117 0.068 0.000 1.644 126 I CA 2.110 63.438 61.300 0.047 0.000 2.307 126 I CB -0.402 37.629 38.000 0.051 0.000 3.328 126 I HN 1.091 nan 8.210 nan 0.000 0.244 127 T N 5.184 119.777 114.554 0.065 0.000 2.770 127 T HA 0.203 4.554 4.350 0.001 0.000 0.258 127 T C 1.721 176.492 174.700 0.118 0.000 1.039 127 T CA 1.219 63.371 62.100 0.086 0.000 1.143 127 T CB -0.550 68.359 68.868 0.068 0.000 0.866 127 T HN 1.428 nan 8.240 nan 0.000 0.428 128 G N 2.451 111.304 108.800 0.089 0.000 4.011 128 G HA2 -0.353 3.607 3.960 0.001 0.000 0.348 128 G HA3 -0.353 3.607 3.960 0.001 0.000 0.348 128 G C 0.262 175.218 174.900 0.093 0.000 1.310 128 G CA 0.814 45.962 45.100 0.081 0.000 1.056 128 G HN 0.737 nan 8.290 nan 0.000 0.728 129 N N -0.253 118.523 118.700 0.125 0.000 2.600 129 N HA 0.339 5.079 4.740 0.001 0.000 0.272 129 N C 0.892 176.540 175.510 0.230 0.000 1.095 129 N CA -0.187 52.959 53.050 0.159 0.000 0.993 129 N CB 1.379 39.952 38.487 0.143 0.000 1.603 129 N HN 0.251 nan 8.380 nan 0.000 0.526 130 L N 2.411 123.801 121.223 0.278 0.000 2.156 130 L HA 0.022 4.362 4.340 0.001 0.000 0.208 130 L C 2.044 179.137 176.870 0.372 0.000 1.095 130 L CA 1.105 56.180 54.840 0.392 0.000 0.770 130 L CB -0.281 41.979 42.059 0.336 0.000 0.914 130 L HN 0.548 nan 8.230 nan 0.000 0.439 131 F N 0.824 120.860 119.950 0.143 0.000 2.163 131 F HA -0.192 4.336 4.527 0.001 0.000 0.297 131 F C 2.494 178.349 175.800 0.092 0.000 1.094 131 F CA 1.479 59.532 58.000 0.088 0.000 1.290 131 F CB 0.207 39.230 39.000 0.037 0.000 1.017 131 F HN -0.030 nan 8.300 nan 0.000 0.483 132 E N 0.165 120.329 120.200 -0.060 0.000 2.028 132 E HA -0.117 4.233 4.350 0.001 0.000 0.190 132 E C 2.113 178.610 176.600 -0.172 0.000 0.984 132 E CA 1.684 57.975 56.400 -0.182 0.000 0.800 132 E CB -0.457 29.236 29.700 -0.012 0.000 0.758 132 E HN 0.269 nan 8.360 nan 0.000 0.448 133 V N -0.241 119.615 119.914 -0.096 0.000 2.379 133 V HA -0.194 3.926 4.120 0.001 0.000 0.245 133 V C 1.560 177.428 176.094 -0.377 0.000 1.044 133 V CA 1.834 63.970 62.300 -0.272 0.000 1.036 133 V CB -0.445 31.150 31.823 -0.379 0.000 0.664 133 V HN 0.301 nan 8.190 nan 0.000 0.453 134 Y N -1.289 119.012 120.300 0.002 0.000 2.447 134 Y HA 0.260 4.810 4.550 0.001 0.000 0.286 134 Y C 2.007 177.892 175.900 -0.026 0.000 1.153 134 Y CA 0.364 58.487 58.100 0.039 0.000 1.241 134 Y CB -0.207 38.369 38.460 0.193 0.000 1.284 134 Y HN -0.011 nan 8.280 nan 0.000 0.520 135 L N 0.112 121.386 121.223 0.086 0.000 2.095 135 L HA -0.084 4.257 4.340 0.001 0.000 0.204 135 L C 2.393 179.329 176.870 0.110 0.000 1.080 135 L CA 1.232 56.129 54.840 0.094 0.000 0.759 135 L CB -0.350 41.804 42.059 0.158 0.000 0.914 135 L HN 0.085 nan 8.230 nan 0.000 0.439 136 K N 0.233 120.464 120.400 -0.281 0.000 2.063 136 K HA -0.149 4.171 4.320 0.001 0.000 0.208 136 K C -0.565 175.969 176.600 -0.110 0.000 1.048 136 K CA 1.487 57.573 56.287 -0.335 0.000 0.928 136 K CB -0.739 31.278 32.500 -0.804 0.000 0.713 136 K HN 0.220 nan 8.250 nan 0.000 0.442 137 P HA -0.159 nan 4.420 nan 0.000 0.221 137 P C 1.065 178.354 177.300 -0.019 0.000 1.150 137 P CA 1.046 64.113 63.100 -0.055 0.000 0.800 137 P CB -0.109 31.555 31.700 -0.060 0.000 0.787 138 Y N -0.345 119.866 120.300 -0.149 0.000 2.263 138 Y HA -0.078 4.472 4.550 0.001 0.000 0.292 138 Y C 1.812 177.484 175.900 -0.379 0.000 1.130 138 Y CA 1.542 59.477 58.100 -0.275 0.000 1.179 138 Y CB -0.527 37.718 38.460 -0.358 0.000 0.998 138 Y HN -0.260 nan 8.280 nan 0.000 0.532 139 F N -0.857 119.044 119.950 -0.081 0.000 2.505 139 F HA 0.147 4.674 4.527 0.001 0.000 0.289 139 F C 0.575 176.271 175.800 -0.173 0.000 1.101 139 F CA -0.263 57.639 58.000 -0.163 0.000 1.446 139 F CB -0.589 38.388 39.000 -0.038 0.000 1.123 139 F HN -0.189 nan 8.300 nan 0.000 0.564 140 L N 2.119 123.368 121.223 0.043 0.000 2.667 140 L HA -0.087 4.254 4.340 0.001 0.000 0.278 140 L C 0.980 177.799 176.870 -0.085 0.000 1.217 140 L CA 0.197 55.017 54.840 -0.033 0.000 0.935 140 L CB -0.179 41.857 42.059 -0.040 0.000 1.193 140 L HN 0.319 nan 8.230 nan 0.000 0.493 141 E N 1.791 121.895 120.200 -0.160 0.000 3.426 141 E HA -0.351 3.999 4.350 0.001 0.000 0.291 141 E C 1.105 177.642 176.600 -0.105 0.000 0.898 141 E CA 1.140 57.431 56.400 -0.182 0.000 0.970 141 E CB -1.682 27.988 29.700 -0.049 0.000 1.489 141 E HN 0.830 nan 8.360 nan 0.000 0.461 142 A N -0.462 122.289 122.820 -0.114 0.000 2.072 142 A HA 0.067 4.387 4.320 0.001 0.000 0.216 142 A C 0.510 178.154 177.584 0.100 0.000 1.156 142 A CA 0.729 52.748 52.037 -0.031 0.000 0.701 142 A CB -0.303 18.616 19.000 -0.135 0.000 0.816 142 A HN 0.312 nan 8.150 nan 0.000 0.458 143 Y N -0.137 120.195 120.300 0.054 0.000 3.001 143 Y HA -0.226 4.324 4.550 0.001 0.000 0.199 143 Y C 0.553 176.476 175.900 0.040 0.000 1.320 143 Y CA 0.459 58.603 58.100 0.074 0.000 0.974 143 Y CB -1.808 36.707 38.460 0.091 0.000 1.291 143 Y HN 0.371 nan 8.280 nan 0.000 0.465 144 R N 1.592 122.181 120.500 0.148 0.000 2.347 144 R HA 0.204 4.544 4.340 0.001 0.000 0.304 144 R C -2.336 174.023 176.300 0.100 0.000 1.072 144 R CA -1.556 54.605 56.100 0.100 0.000 0.980 144 R CB 0.402 30.774 30.300 0.121 0.000 0.986 144 R HN 0.010 nan 8.270 nan 0.000 0.448 145 P HA 0.164 nan 4.420 nan 0.000 0.282 145 P C -0.674 176.660 177.300 0.057 0.000 1.262 145 P CA -0.202 62.923 63.100 0.042 0.000 0.773 145 P CB 0.555 32.255 31.700 -0.001 0.000 0.879 146 I N -0.281 120.339 120.570 0.084 0.000 2.730 146 I HA 0.688 4.858 4.170 0.001 0.000 0.298 146 I C -0.554 175.650 176.117 0.145 0.000 1.089 146 I CA -1.323 60.038 61.300 0.101 0.000 1.041 146 I CB 3.021 41.086 38.000 0.109 0.000 1.235 146 I HN 0.068 nan 8.210 nan 0.000 0.423 147 R N 3.213 123.806 120.500 0.155 0.000 2.589 147 R HA 0.390 4.731 4.340 0.001 0.000 0.293 147 R C -0.550 175.858 176.300 0.179 0.000 0.963 147 R CA -1.030 55.187 56.100 0.193 0.000 0.905 147 R CB 1.849 32.248 30.300 0.166 0.000 1.144 147 R HN 0.781 nan 8.270 nan 0.000 0.459 148 K N 1.204 121.702 120.400 0.164 0.000 2.511 148 K HA -0.065 4.256 4.320 0.001 0.000 0.280 148 K C 0.459 177.137 176.600 0.130 0.000 1.008 148 K CA 1.656 58.024 56.287 0.136 0.000 1.050 148 K CB 0.152 32.711 32.500 0.098 0.000 0.889 148 K HN 0.856 nan 8.250 nan 0.000 0.484 149 G N 3.119 111.999 108.800 0.133 0.000 2.157 149 G HA2 -0.205 3.755 3.960 0.001 0.000 0.248 149 G HA3 -0.205 3.755 3.960 0.001 0.000 0.248 149 G C -0.401 174.578 174.900 0.133 0.000 0.979 149 G CA 0.133 45.301 45.100 0.113 0.000 0.650 149 G HN 0.733 nan 8.290 nan 0.000 0.529 150 D N 0.220 120.733 120.400 0.188 0.000 2.424 150 D HA 0.459 5.100 4.640 0.001 0.000 0.244 150 D C 0.643 177.105 176.300 0.269 0.000 1.134 150 D CA 0.305 54.445 54.000 0.234 0.000 0.881 150 D CB 0.805 41.781 40.800 0.294 0.000 1.191 150 D HN 0.259 nan 8.370 nan 0.000 0.445 151 I N 3.729 124.422 120.570 0.205 0.000 2.355 151 I HA 0.319 4.490 4.170 0.001 0.000 0.288 151 I C -0.327 175.907 176.117 0.196 0.000 0.999 151 I CA -0.819 60.555 61.300 0.122 0.000 1.163 151 I CB 0.475 38.493 38.000 0.032 0.000 1.316 151 I HN 0.135 nan 8.210 nan 0.000 0.454 152 F N 5.594 125.586 119.950 0.070 0.000 2.576 152 F HA 0.842 5.369 4.527 0.001 0.000 0.313 152 F C -1.417 174.379 175.800 -0.006 0.000 1.078 152 F CA -1.459 56.562 58.000 0.035 0.000 0.921 152 F CB 1.244 40.271 39.000 0.045 0.000 1.232 152 F HN 0.265 nan 8.300 nan 0.000 0.459 153 L N 3.496 124.778 121.223 0.099 0.000 2.307 153 L HA 0.823 5.163 4.340 0.001 0.000 0.284 153 L C -1.358 175.523 176.870 0.019 0.000 1.023 153 L CA -0.592 54.243 54.840 -0.008 0.000 0.810 153 L CB 1.667 43.731 42.059 0.009 0.000 1.231 153 L HN 0.665 nan 8.230 nan 0.000 0.423 154 V N 5.294 125.216 119.914 0.014 0.000 2.525 154 V HA 0.511 4.631 4.120 0.001 0.000 0.299 154 V C -0.039 176.172 176.094 0.195 0.000 1.034 154 V CA -0.727 61.617 62.300 0.074 0.000 0.863 154 V CB 1.673 33.535 31.823 0.064 0.000 0.999 154 V HN 0.688 nan 8.190 nan 0.000 0.423 155 R N 2.176 122.783 120.500 0.178 0.000 2.441 155 R HA 0.617 4.957 4.340 0.001 0.000 0.284 155 R C 0.581 176.992 176.300 0.186 0.000 1.070 155 R CA 0.080 56.289 56.100 0.183 0.000 1.047 155 R CB 1.336 31.698 30.300 0.103 0.000 1.016 155 R HN 0.948 nan 8.270 nan 0.000 0.477 156 G N 1.432 110.320 108.800 0.148 0.000 4.332 156 G HA2 0.428 4.388 3.960 0.001 0.000 0.321 156 G HA3 0.428 4.388 3.960 0.001 0.000 0.321 156 G C 0.530 175.333 174.900 -0.161 0.000 1.439 156 G CA 0.096 45.064 45.100 -0.220 0.000 0.900 156 G HN 0.888 nan 8.290 nan 0.000 0.515 157 G N 2.798 111.557 108.800 -0.068 0.000 3.181 157 G HA2 -0.465 3.496 3.960 0.001 0.000 0.322 157 G HA3 -0.465 3.496 3.960 0.001 0.000 0.322 157 G C 1.920 176.820 174.900 -0.001 0.000 1.246 157 G CA 1.975 47.051 45.100 -0.040 0.000 0.989 157 G HN 1.307 nan 8.290 nan 0.000 0.607 158 M N 0.782 120.384 119.600 0.003 0.000 2.204 158 M HA -0.053 4.427 4.480 0.001 0.000 0.255 158 M C 1.477 177.807 176.300 0.050 0.000 1.073 158 M CA 2.955 58.273 55.300 0.029 0.000 1.084 158 M CB -0.749 31.874 32.600 0.039 0.000 1.289 158 M HN 0.977 nan 8.290 nan 0.000 0.419 159 R N 0.254 120.810 120.500 0.094 0.000 2.829 159 R HA 0.812 5.152 4.340 0.001 0.000 0.267 159 R C -1.933 174.447 176.300 0.133 0.000 1.051 159 R CA -0.577 55.574 56.100 0.085 0.000 0.927 159 R CB 1.186 31.516 30.300 0.050 0.000 1.292 159 R HN 0.158 nan 8.270 nan 0.000 0.445 160 A N 0.948 123.799 122.820 0.052 0.000 2.318 160 A HA 0.641 4.961 4.320 0.001 0.000 0.324 160 A C -0.825 176.686 177.584 -0.122 0.000 1.170 160 A CA -0.747 51.301 52.037 0.018 0.000 0.810 160 A CB 1.657 20.659 19.000 0.004 0.000 1.198 160 A HN 0.350 nan 8.150 nan 0.000 0.484 161 V N 2.558 122.322 119.914 -0.250 0.000 2.495 161 V HA 0.325 4.445 4.120 0.001 0.000 0.298 161 V C -0.022 175.710 176.094 -0.603 0.000 1.031 161 V CA -0.593 61.377 62.300 -0.550 0.000 0.871 161 V CB 1.585 32.824 31.823 -0.974 0.000 0.988 161 V HN 0.985 nan 8.190 nan 0.000 0.432 162 E N 3.352 123.196 120.200 -0.594 0.000 2.259 162 E HA 0.526 4.876 4.350 0.001 0.000 0.281 162 E C -1.454 174.668 176.600 -0.798 0.000 1.027 162 E CA -0.147 55.935 56.400 -0.530 0.000 0.838 162 E CB 1.266 30.779 29.700 -0.312 0.000 1.066 162 E HN 0.497 nan 8.360 nan 0.000 0.401 163 F N 1.687 121.247 119.950 -0.651 0.000 2.546 163 F HA 0.379 4.907 4.527 0.001 0.000 0.320 163 F C 0.273 175.749 175.800 -0.541 0.000 1.076 163 F CA -0.885 56.707 58.000 -0.680 0.000 0.928 163 F CB 1.630 39.999 39.000 -1.051 0.000 1.189 163 F HN 0.148 nan 8.300 nan 0.000 0.465 164 K N 1.882 122.272 120.400 -0.016 0.000 2.244 164 K HA 0.595 4.916 4.320 0.001 0.000 0.260 164 K C -1.434 175.298 176.600 0.221 0.000 0.951 164 K CA -0.607 55.731 56.287 0.085 0.000 0.826 164 K CB 1.547 34.082 32.500 0.058 0.000 1.108 164 K HN 0.496 nan 8.250 nan 0.000 0.433 165 V N 5.777 125.877 119.914 0.310 0.000 2.397 165 V HA -0.005 4.115 4.120 0.001 0.000 0.262 165 V C 1.069 177.288 176.094 0.208 0.000 1.047 165 V CA -0.101 62.387 62.300 0.314 0.000 1.003 165 V CB 0.815 32.836 31.823 0.330 0.000 1.037 165 V HN 0.710 nan 8.190 nan 0.000 0.480 166 V N 3.438 123.474 119.914 0.203 0.000 2.575 166 V HA 0.136 4.256 4.120 0.001 0.000 0.242 166 V C 0.756 176.897 176.094 0.079 0.000 1.045 166 V CA 0.929 63.302 62.300 0.122 0.000 1.065 166 V CB 0.133 32.014 31.823 0.097 0.000 0.717 166 V HN 0.841 nan 8.190 nan 0.000 0.467 167 E N -0.893 119.378 120.200 0.117 0.000 2.340 167 E HA 0.577 4.927 4.350 0.001 0.000 0.273 167 E C -1.158 175.503 176.600 0.102 0.000 0.891 167 E CA -0.261 56.186 56.400 0.078 0.000 0.757 167 E CB 2.326 32.041 29.700 0.025 0.000 1.231 167 E HN 0.209 nan 8.360 nan 0.000 0.439 168 T N 2.667 117.260 114.554 0.064 0.000 2.921 168 T HA 0.199 4.549 4.350 0.001 0.000 0.297 168 T C -0.141 174.576 174.700 0.027 0.000 1.013 168 T CA -0.647 61.485 62.100 0.053 0.000 0.990 168 T CB 1.524 70.420 68.868 0.047 0.000 1.023 168 T HN 0.471 nan 8.240 nan 0.000 0.447 169 D N 1.534 121.952 120.400 0.030 0.000 2.194 169 D HA 0.085 4.725 4.640 0.001 0.000 0.204 169 D C -1.620 174.680 176.300 0.001 0.000 0.964 169 D CA 0.187 54.198 54.000 0.018 0.000 0.846 169 D CB -0.363 40.455 40.800 0.030 0.000 0.962 169 D HN 0.344 nan 8.370 nan 0.000 0.490 170 P HA 0.187 nan 4.420 nan 0.000 0.282 170 P C 0.519 177.773 177.300 -0.076 0.000 1.262 170 P CA -0.118 62.962 63.100 -0.032 0.000 0.773 170 P CB 1.737 33.426 31.700 -0.018 0.000 0.879 171 S N 4.912 120.548 115.700 -0.106 0.000 2.380 171 S HA -0.211 4.259 4.470 0.001 0.000 0.290 171 S C -0.547 173.969 174.600 -0.139 0.000 1.080 171 S CA 2.271 60.397 58.200 -0.124 0.000 1.468 171 S CB -1.860 61.263 63.200 -0.129 0.000 1.303 171 S HN 0.612 nan 8.310 nan 0.000 0.457 172 P HA 0.241 nan 4.420 nan 0.000 0.225 172 P C -0.414 176.851 177.300 -0.058 0.000 1.142 172 P CA 0.577 63.575 63.100 -0.171 0.000 0.894 172 P CB 0.169 31.747 31.700 -0.203 0.000 0.895 173 Y N -0.482 119.830 120.300 0.020 0.000 2.553 173 Y HA 0.694 5.245 4.550 0.001 0.000 0.347 173 Y C -0.387 175.516 175.900 0.004 0.000 1.019 173 Y CA -2.038 56.073 58.100 0.017 0.000 1.032 173 Y CB 0.656 39.125 38.460 0.015 0.000 1.284 173 Y HN 0.116 nan 8.280 nan 0.000 0.466 174 C N 0.884 120.298 119.300 0.190 0.000 3.288 174 C HA 0.818 5.278 4.460 0.001 0.000 0.318 174 C C -0.920 174.111 174.990 0.068 0.000 1.356 174 C CA -1.218 57.857 59.018 0.095 0.000 1.359 174 C CB 0.905 28.675 27.740 0.051 0.000 1.688 174 C HN 0.982 nan 8.230 nan 0.000 0.467 175 I N 2.040 122.617 120.570 0.012 0.000 2.395 175 I HA 0.357 4.527 4.170 0.001 0.000 0.289 175 I C -0.013 176.153 176.117 0.081 0.000 1.023 175 I CA -0.369 60.945 61.300 0.025 0.000 1.350 175 I CB 1.661 39.605 38.000 -0.094 0.000 1.409 175 I HN 0.562 nan 8.210 nan 0.000 0.507 176 V N 7.046 126.992 119.914 0.054 0.000 2.338 176 V HA 0.336 4.457 4.120 0.001 0.000 0.255 176 V C 0.740 176.827 176.094 -0.012 0.000 1.082 176 V CA -0.333 61.934 62.300 -0.055 0.000 0.951 176 V CB 0.070 31.694 31.823 -0.331 0.000 1.102 176 V HN 0.826 nan 8.190 nan 0.000 0.489 177 A N 7.358 130.213 122.820 0.059 0.000 2.264 177 A HA 0.733 5.053 4.320 0.001 0.000 0.304 177 A C -0.927 176.576 177.584 -0.135 0.000 1.100 177 A CA -1.574 50.434 52.037 -0.048 0.000 0.839 177 A CB 0.417 19.568 19.000 0.251 0.000 1.121 177 A HN 0.557 nan 8.150 nan 0.000 0.496 178 P HA -0.215 nan 4.420 nan 0.000 0.218 178 P C 0.351 177.615 177.300 -0.059 0.000 1.152 178 P CA 1.989 65.025 63.100 -0.107 0.000 0.857 178 P CB -0.060 31.581 31.700 -0.099 0.000 0.787 179 D N -1.234 119.136 120.400 -0.051 0.000 2.149 179 D HA -0.096 4.544 4.640 0.001 0.000 0.198 179 D C 0.309 176.584 176.300 -0.040 0.000 0.990 179 D CA 1.063 55.040 54.000 -0.037 0.000 0.839 179 D CB -0.988 39.795 40.800 -0.029 0.000 0.948 179 D HN 0.188 nan 8.370 nan 0.000 0.460 180 T N 1.522 116.049 114.554 -0.045 0.000 2.765 180 T HA 0.175 4.526 4.350 0.001 0.000 0.284 180 T C 0.246 174.875 174.700 -0.120 0.000 0.946 180 T CA -0.360 61.698 62.100 -0.070 0.000 1.185 180 T CB 0.718 69.529 68.868 -0.095 0.000 0.887 180 T HN -0.178 nan 8.240 nan 0.000 0.532 181 V N 5.821 125.654 119.914 -0.135 0.000 2.479 181 V HA 0.162 4.282 4.120 0.001 0.000 0.281 181 V C 0.574 176.464 176.094 -0.340 0.000 1.031 181 V CA -0.279 61.864 62.300 -0.260 0.000 1.038 181 V CB -0.196 31.471 31.823 -0.260 0.000 0.981 181 V HN 0.748 nan 8.190 nan 0.000 0.478 182 I N 5.784 126.100 120.570 -0.423 0.000 2.306 182 I HA 0.320 4.490 4.170 0.001 0.000 0.288 182 I C 0.264 176.089 176.117 -0.487 0.000 1.036 182 I CA -0.166 60.932 61.300 -0.337 0.000 1.221 182 I CB 0.225 38.171 38.000 -0.089 0.000 1.385 182 I HN 0.585 nan 8.210 nan 0.000 0.472 183 H N 5.363 124.305 119.070 -0.212 0.000 2.467 183 H HA 0.351 4.907 4.556 0.001 0.000 0.331 183 H C -0.279 174.844 175.328 -0.341 0.000 1.120 183 H CA -0.582 55.301 56.048 -0.274 0.000 1.270 183 H CB 1.816 31.431 29.762 -0.244 0.000 1.466 183 H HN 0.706 nan 8.280 nan 0.000 0.504 184 C N 1.687 120.889 119.300 -0.164 0.000 3.471 184 C HA 0.349 4.810 4.460 0.001 0.000 0.191 184 C C 1.178 176.117 174.990 -0.086 0.000 1.480 184 C CA -0.860 58.068 59.018 -0.149 0.000 1.281 184 C CB -1.015 26.743 27.740 0.029 0.000 1.898 184 C HN 0.808 nan 8.230 nan 0.000 0.533 185 E N 2.283 122.382 120.200 -0.168 0.000 2.005 185 E HA 0.177 4.527 4.350 0.001 0.000 0.191 185 E C 1.794 178.443 176.600 0.081 0.000 0.987 185 E CA 1.261 57.668 56.400 0.011 0.000 0.814 185 E CB -0.047 29.697 29.700 0.072 0.000 0.772 185 E HN 0.813 nan 8.360 nan 0.000 0.453 186 G N 0.737 109.638 108.800 0.168 0.000 2.529 186 G HA2 -0.024 3.936 3.960 0.001 0.000 0.277 186 G HA3 -0.024 3.936 3.960 0.001 0.000 0.277 186 G C -0.376 174.577 174.900 0.089 0.000 1.383 186 G CA -0.506 44.674 45.100 0.133 0.000 1.050 186 G HN 0.086 nan 8.290 nan 0.000 0.526 187 E N 0.456 120.693 120.200 0.063 0.000 2.404 187 E HA 0.172 4.522 4.350 0.001 0.000 0.261 187 E C -2.135 174.484 176.600 0.032 0.000 1.074 187 E CA -1.028 55.394 56.400 0.037 0.000 0.917 187 E CB 0.365 30.078 29.700 0.022 0.000 0.965 187 E HN 0.131 nan 8.360 nan 0.000 0.433 188 P HA -0.016 nan 4.420 nan 0.000 0.267 188 P C -0.495 176.793 177.300 -0.020 0.000 1.209 188 P CA 0.034 63.123 63.100 -0.018 0.000 0.763 188 P CB 0.296 31.969 31.700 -0.044 0.000 0.816 189 I N 3.693 124.251 120.570 -0.020 0.000 2.752 189 I HA -0.053 4.117 4.170 0.001 0.000 0.289 189 I C 1.152 177.244 176.117 -0.043 0.000 1.197 189 I CA 0.350 61.637 61.300 -0.022 0.000 1.432 189 I CB -0.208 37.785 38.000 -0.012 0.000 1.359 189 I HN 0.317 nan 8.210 nan 0.000 0.571 190 K N 5.895 126.274 120.400 -0.034 0.000 2.350 190 K HA 0.013 4.334 4.320 0.001 0.000 0.279 190 K C 1.114 177.686 176.600 -0.046 0.000 1.027 190 K CA -0.234 56.030 56.287 -0.039 0.000 0.969 190 K CB 1.096 33.578 32.500 -0.030 0.000 0.954 190 K HN 0.377 nan 8.250 nan 0.000 0.474 191 R N 3.028 123.496 120.500 -0.053 0.000 2.080 191 R HA -0.199 4.141 4.340 0.001 0.000 0.236 191 R C 1.184 177.457 176.300 -0.045 0.000 1.137 191 R CA 2.011 58.078 56.100 -0.056 0.000 0.943 191 R CB -0.006 30.259 30.300 -0.058 0.000 0.846 191 R HN 0.691 nan 8.270 nan 0.000 0.431 192 E N -0.114 120.063 120.200 -0.039 0.000 2.160 192 E HA -0.193 4.158 4.350 0.001 0.000 0.195 192 E C 1.448 178.028 176.600 -0.034 0.000 0.991 192 E CA 1.402 57.782 56.400 -0.034 0.000 0.810 192 E CB -0.103 29.579 29.700 -0.030 0.000 0.742 192 E HN 0.471 nan 8.360 nan 0.000 0.466 193 D N 0.640 121.021 120.400 -0.033 0.000 2.097 193 D HA -0.144 4.497 4.640 0.001 0.000 0.195 193 D C 1.820 178.101 176.300 -0.032 0.000 0.989 193 D CA 0.937 54.919 54.000 -0.031 0.000 0.827 193 D CB -0.092 40.692 40.800 -0.026 0.000 0.966 193 D HN 0.065 nan 8.370 nan 0.000 0.456 194 E N 0.434 120.614 120.200 -0.033 0.000 2.216 194 E HA -0.078 4.272 4.350 0.001 0.000 0.192 194 E C 1.876 178.455 176.600 -0.034 0.000 0.988 194 E CA 0.479 56.860 56.400 -0.032 0.000 0.834 194 E CB 0.074 29.754 29.700 -0.034 0.000 0.772 194 E HN 0.361 nan 8.360 nan 0.000 0.479 195 E N 0.601 120.779 120.200 -0.037 0.000 2.152 195 E HA -0.128 4.222 4.350 0.001 0.000 0.192 195 E C 1.691 178.268 176.600 -0.039 0.000 0.983 195 E CA 0.461 56.839 56.400 -0.037 0.000 0.818 195 E CB -0.035 29.643 29.700 -0.036 0.000 0.758 195 E HN 0.370 nan 8.360 nan 0.000 0.467 196 E N 0.287 120.464 120.200 -0.039 0.000 2.427 196 E HA -0.032 4.318 4.350 0.001 0.000 0.196 196 E C 1.791 178.362 176.600 -0.049 0.000 1.028 196 E CA 0.230 56.604 56.400 -0.043 0.000 0.864 196 E CB 0.199 29.875 29.700 -0.041 0.000 0.813 196 E HN -0.040 nan 8.360 nan 0.000 0.514 197 S N -0.516 115.157 115.700 -0.044 0.000 2.441 197 S HA 0.074 4.544 4.470 0.001 0.000 0.224 197 S C 1.695 176.266 174.600 -0.047 0.000 1.043 197 S CA 0.041 58.214 58.200 -0.045 0.000 0.948 197 S CB 0.135 63.315 63.200 -0.033 0.000 0.810 197 S HN 0.226 nan 8.310 nan 0.000 0.504 198 L N 1.869 123.067 121.223 -0.041 0.000 2.093 198 L HA -0.024 4.316 4.340 0.001 0.000 0.208 198 L C 2.139 178.978 176.870 -0.052 0.000 1.085 198 L CA 0.785 55.600 54.840 -0.042 0.000 0.755 198 L CB -0.478 41.560 42.059 -0.034 0.000 0.904 198 L HN 0.241 nan 8.230 nan 0.000 0.435 199 N N 0.299 118.966 118.700 -0.055 0.000 2.192 199 N HA -0.166 4.574 4.740 0.001 0.000 0.188 199 N C 0.303 175.766 175.510 -0.079 0.000 1.013 199 N CA 0.655 53.667 53.050 -0.063 0.000 0.863 199 N CB -0.228 38.224 38.487 -0.058 0.000 0.990 199 N HN 0.355 nan 8.380 nan 0.000 0.430 200 E N 0.462 120.611 120.200 -0.085 0.000 2.608 200 E HA -0.067 4.284 4.350 0.001 0.000 0.259 200 E C -0.315 176.209 176.600 -0.125 0.000 0.951 200 E CA 0.137 56.472 56.400 -0.109 0.000 0.945 200 E CB 0.874 30.507 29.700 -0.112 0.000 0.916 200 E HN -0.059 nan 8.360 nan 0.000 0.477 201 V N 3.440 123.264 119.914 -0.149 0.000 2.508 201 V HA 0.244 4.364 4.120 0.001 0.000 0.281 201 V C 0.914 176.883 176.094 -0.208 0.000 1.041 201 V CA 0.147 62.352 62.300 -0.158 0.000 1.016 201 V CB 1.023 32.754 31.823 -0.154 0.000 0.984 201 V HN 0.751 nan 8.190 nan 0.000 0.478 202 G N 2.373 111.064 108.800 -0.183 0.000 2.932 202 G HA2 0.438 4.398 3.960 0.001 0.000 0.283 202 G HA3 0.438 4.398 3.960 0.001 0.000 0.283 202 G C 0.017 174.810 174.900 -0.180 0.000 1.336 202 G CA -0.551 44.401 45.100 -0.248 0.000 1.056 202 G HN 0.622 nan 8.290 nan 0.000 0.522 203 Y N -0.722 119.554 120.300 -0.041 0.000 2.403 203 Y HA -0.095 4.455 4.550 0.000 0.000 0.291 203 Y C 2.238 178.125 175.900 -0.021 0.000 1.143 203 Y CA 0.783 58.868 58.100 -0.026 0.000 1.257 203 Y CB 0.320 38.772 38.460 -0.013 0.000 0.984 203 Y HN 0.305 nan 8.280 nan 0.000 0.550 204 D N -0.287 120.177 120.400 0.107 0.000 2.269 204 D HA -0.126 4.514 4.640 0.001 0.000 0.208 204 D C 1.066 177.380 176.300 0.024 0.000 0.963 204 D CA 1.060 55.092 54.000 0.055 0.000 0.864 204 D CB -0.230 40.585 40.800 0.026 0.000 0.936 204 D HN 0.416 nan 8.370 nan 0.000 0.505 205 D N -0.063 120.340 120.400 0.006 0.000 2.339 205 D HA 0.048 4.688 4.640 0.001 0.000 0.217 205 D C 0.454 176.760 176.300 0.011 0.000 1.050 205 D CA -0.047 53.940 54.000 -0.022 0.000 0.856 205 D CB 0.842 41.604 40.800 -0.063 0.000 0.922 205 D HN 0.252 nan 8.370 nan 0.000 0.518 206 I N 0.257 120.856 120.570 0.049 0.000 2.382 206 I HA 0.457 4.628 4.170 0.001 0.000 0.286 206 I C -0.144 176.008 176.117 0.060 0.000 1.002 206 I CA -0.422 60.917 61.300 0.065 0.000 1.135 206 I CB 1.608 39.660 38.000 0.087 0.000 1.288 206 I HN -0.191 nan 8.210 nan 0.000 0.448 207 G N 4.167 113.001 108.800 0.057 0.000 2.400 207 G HA2 0.508 4.469 3.960 0.001 0.000 0.333 207 G HA3 0.508 4.469 3.960 0.001 0.000 0.333 207 G C 0.466 175.387 174.900 0.035 0.000 1.143 207 G CA -0.496 44.632 45.100 0.046 0.000 0.914 207 G HN 1.530 nan 8.290 nan 0.000 0.480 208 G N -1.019 107.796 108.800 0.024 0.000 2.323 208 G HA2 -0.238 3.722 3.960 0.001 0.000 0.292 208 G HA3 -0.238 3.722 3.960 0.001 0.000 0.292 208 G C 0.508 175.413 174.900 0.009 0.000 1.040 208 G CA 0.455 45.564 45.100 0.015 0.000 0.942 208 G HN 1.106 nan 8.290 nan 0.000 0.506 209 C N -0.779 118.527 119.300 0.009 0.000 3.359 209 C HA 0.303 4.764 4.460 0.001 0.000 0.258 209 C C 2.231 177.216 174.990 -0.008 0.000 1.840 209 C CA -0.241 58.779 59.018 0.003 0.000 1.746 209 C CB -0.497 27.252 27.740 0.015 0.000 3.306 209 C HN 0.699 nan 8.230 nan 0.000 0.485 210 R N 1.494 121.988 120.500 -0.010 0.000 2.094 210 R HA -0.200 4.140 4.340 0.001 0.000 0.239 210 R C 2.182 178.466 176.300 -0.026 0.000 1.137 210 R CA 1.547 57.634 56.100 -0.022 0.000 0.943 210 R CB -0.133 30.157 30.300 -0.015 0.000 0.850 210 R HN 0.476 nan 8.270 nan 0.000 0.433 211 K N 0.569 120.960 120.400 -0.015 0.000 2.103 211 K HA -0.235 4.086 4.320 0.001 0.000 0.207 211 K C 1.990 178.583 176.600 -0.011 0.000 1.048 211 K CA 1.727 58.008 56.287 -0.010 0.000 0.930 211 K CB 0.138 32.636 32.500 -0.005 0.000 0.716 211 K HN 0.142 nan 8.250 nan 0.000 0.444 212 Q N 0.086 119.878 119.800 -0.013 0.000 2.212 212 Q HA 0.035 4.375 4.340 0.001 0.000 0.199 212 Q C 1.944 177.938 176.000 -0.010 0.000 0.950 212 Q CA 0.689 56.488 55.803 -0.007 0.000 0.863 212 Q CB 0.128 28.861 28.738 -0.009 0.000 0.944 212 Q HN 0.232 nan 8.270 nan 0.000 0.465 213 L N -0.031 121.169 121.223 -0.038 0.000 2.141 213 L HA -0.109 4.232 4.340 0.001 0.000 0.209 213 L C 2.261 179.063 176.870 -0.113 0.000 1.094 213 L CA 0.927 55.707 54.840 -0.101 0.000 0.763 213 L CB -0.517 41.435 42.059 -0.179 0.000 0.908 213 L HN 0.225 nan 8.230 nan 0.000 0.437 214 A N -0.433 122.345 122.820 -0.070 0.000 1.902 214 A HA -0.241 4.079 4.320 0.001 0.000 0.217 214 A C 2.248 179.827 177.584 -0.007 0.000 1.181 214 A CA 1.490 53.501 52.037 -0.043 0.000 0.623 214 A CB -0.402 18.583 19.000 -0.025 0.000 0.818 214 A HN 0.455 nan 8.150 nan 0.000 0.443 215 Q N -0.782 119.023 119.800 0.007 0.000 2.119 215 Q HA -0.063 4.278 4.340 0.001 0.000 0.201 215 Q C 2.000 178.029 176.000 0.048 0.000 0.972 215 Q CA 1.347 57.170 55.803 0.034 0.000 0.847 215 Q CB -0.248 28.512 28.738 0.037 0.000 0.903 215 Q HN 0.739 nan 8.270 nan 0.000 0.433 216 I N 0.665 121.260 120.570 0.041 0.000 2.252 216 I HA -0.268 3.902 4.170 0.001 0.000 0.245 216 I C 2.109 178.269 176.117 0.071 0.000 1.102 216 I CA 1.160 62.503 61.300 0.072 0.000 1.385 216 I CB -0.077 37.981 38.000 0.097 0.000 1.064 216 I HN 0.088 nan 8.210 nan 0.000 0.414 217 K N 0.374 120.792 120.400 0.029 0.000 2.148 217 K HA -0.171 4.149 4.320 0.001 0.000 0.204 217 K C 1.935 178.589 176.600 0.089 0.000 1.050 217 K CA 1.185 57.500 56.287 0.046 0.000 0.942 217 K CB -0.068 32.424 32.500 -0.013 0.000 0.724 217 K HN 0.387 nan 8.250 nan 0.000 0.446 218 E N 0.284 120.537 120.200 0.087 0.000 2.072 218 E HA -0.095 4.256 4.350 0.001 0.000 0.190 218 E C 1.885 178.578 176.600 0.155 0.000 0.982 218 E CA 1.143 57.623 56.400 0.135 0.000 0.803 218 E CB 0.102 29.867 29.700 0.109 0.000 0.755 218 E HN 0.241 nan 8.360 nan 0.000 0.453 219 M N -0.549 119.108 119.600 0.095 0.000 2.486 219 M HA -0.028 4.453 4.480 0.001 0.000 0.264 219 M C 1.701 178.007 176.300 0.011 0.000 1.125 219 M CA 0.526 55.854 55.300 0.048 0.000 1.144 219 M CB 0.834 33.461 32.600 0.045 0.000 1.353 219 M HN -0.015 nan 8.290 nan 0.000 0.466 220 V N -1.573 118.375 119.914 0.056 0.000 2.840 220 V HA 0.032 4.153 4.120 0.001 0.000 0.234 220 V C 1.871 178.013 176.094 0.079 0.000 1.159 220 V CA 0.870 63.208 62.300 0.063 0.000 1.194 220 V CB -0.308 31.585 31.823 0.116 0.000 0.971 220 V HN 0.185 nan 8.190 nan 0.000 0.494 221 E N 0.696 120.962 120.200 0.111 0.000 2.072 221 E HA -0.147 4.203 4.350 0.001 0.000 0.190 221 E C 1.928 178.607 176.600 0.132 0.000 0.982 221 E CA 1.114 57.589 56.400 0.123 0.000 0.803 221 E CB -0.310 29.473 29.700 0.138 0.000 0.755 221 E HN 0.343 nan 8.360 nan 0.000 0.453 222 L N 0.562 121.890 121.223 0.176 0.000 2.056 222 L HA -0.017 4.323 4.340 0.001 0.000 0.207 222 L C -1.131 175.935 176.870 0.328 0.000 1.078 222 L CA 1.725 56.739 54.840 0.291 0.000 0.749 222 L CB -1.010 41.258 42.059 0.348 0.000 0.901 222 L HN 0.154 nan 8.230 nan 0.000 0.433 223 P HA -0.050 nan 4.420 nan 0.000 0.229 223 P C 1.871 179.169 177.300 -0.004 0.000 1.160 223 P CA 1.168 64.191 63.100 -0.128 0.000 0.777 223 P CB 0.116 31.475 31.700 -0.568 0.000 0.814 224 L N -1.253 119.983 121.223 0.021 0.000 2.168 224 L HA 0.046 4.387 4.340 0.001 0.000 0.203 224 L C 2.634 179.488 176.870 -0.027 0.000 1.078 224 L CA 0.925 55.776 54.840 0.019 0.000 0.780 224 L CB -0.378 41.702 42.059 0.036 0.000 0.939 224 L HN -0.170 nan 8.230 nan 0.000 0.451 225 R N -0.725 119.744 120.500 -0.052 0.000 2.100 225 R HA 0.045 4.385 4.340 0.001 0.000 0.220 225 R C 0.312 176.330 176.300 -0.471 0.000 1.091 225 R CA 0.835 56.781 56.100 -0.256 0.000 0.986 225 R CB -0.022 30.107 30.300 -0.287 0.000 0.888 225 R HN 0.392 nan 8.270 nan 0.000 0.444 226 H N 0.550 119.690 119.070 0.117 0.000 2.336 226 H HA 0.203 4.759 4.556 0.001 0.000 0.230 226 H C -1.771 173.689 175.328 0.221 0.000 1.426 226 H CA -1.824 54.307 56.048 0.138 0.000 1.359 226 H CB 1.178 31.018 29.762 0.129 0.000 1.555 226 H HN 0.058 nan 8.280 nan 0.000 0.512 227 P HA -0.109 nan 4.420 nan 0.000 0.220 227 P C 1.550 179.015 177.300 0.276 0.000 1.148 227 P CA 0.874 64.126 63.100 0.252 0.000 0.803 227 P CB 0.350 32.160 31.700 0.184 0.000 0.782 228 A N 0.307 123.253 122.820 0.210 0.000 1.948 228 A HA -0.176 4.144 4.320 0.001 0.000 0.220 228 A C 2.399 180.067 177.584 0.141 0.000 1.177 228 A CA 1.323 53.454 52.037 0.157 0.000 0.636 228 A CB -1.645 17.429 19.000 0.124 0.000 0.815 228 A HN 0.159 nan 8.150 nan 0.000 0.449 229 L N -2.052 119.264 121.223 0.155 0.000 1.994 229 L HA -0.191 4.149 4.340 0.001 0.000 0.208 229 L C 2.515 179.353 176.870 -0.053 0.000 1.071 229 L CA 1.749 56.585 54.840 -0.006 0.000 0.745 229 L CB -0.403 41.578 42.059 -0.131 0.000 0.892 229 L HN 0.471 nan 8.230 nan 0.000 0.431 230 F N -0.636 119.348 119.950 0.057 0.000 2.163 230 F HA -0.168 4.360 4.527 0.001 0.000 0.297 230 F C 2.578 178.404 175.800 0.044 0.000 1.094 230 F CA 0.986 59.014 58.000 0.048 0.000 1.290 230 F CB -0.385 38.645 39.000 0.052 0.000 1.017 230 F HN -0.112 nan 8.300 nan 0.000 0.483 231 K N 0.732 121.282 120.400 0.250 0.000 2.097 231 K HA -0.065 4.255 4.320 0.001 0.000 0.206 231 K C 2.176 178.833 176.600 0.095 0.000 1.049 231 K CA 1.212 57.589 56.287 0.150 0.000 0.933 231 K CB -0.608 31.973 32.500 0.135 0.000 0.717 231 K HN 0.248 nan 8.250 nan 0.000 0.442 232 A N 0.781 123.646 122.820 0.074 0.000 1.897 232 A HA -0.085 4.236 4.320 0.001 0.000 0.215 232 A C 2.254 179.850 177.584 0.019 0.000 1.181 232 A CA 1.090 53.149 52.037 0.037 0.000 0.620 232 A CB -0.435 18.577 19.000 0.020 0.000 0.821 232 A HN 0.314 nan 8.150 nan 0.000 0.443 233 I N -1.260 119.312 120.570 0.004 0.000 2.493 233 I HA 0.038 4.208 4.170 0.001 0.000 0.254 233 I C 1.345 177.476 176.117 0.023 0.000 1.160 233 I CA 1.327 62.622 61.300 -0.008 0.000 1.445 233 I CB 0.118 38.083 38.000 -0.059 0.000 1.086 233 I HN 0.500 nan 8.210 nan 0.000 0.433 234 G N 0.649 109.480 108.800 0.052 0.000 2.226 234 G HA2 -0.148 3.813 3.960 0.001 0.000 0.176 234 G HA3 -0.148 3.813 3.960 0.001 0.000 0.176 234 G C -0.363 174.587 174.900 0.083 0.000 1.042 234 G CA -0.060 45.077 45.100 0.060 0.000 0.732 234 G HN 0.206 nan 8.290 nan 0.000 0.494 235 V N 0.056 120.044 119.914 0.124 0.000 2.638 235 V HA 0.510 4.630 4.120 0.001 0.000 0.306 235 V C 0.307 176.516 176.094 0.191 0.000 1.052 235 V CA -1.099 61.298 62.300 0.162 0.000 0.885 235 V CB 1.997 33.931 31.823 0.186 0.000 0.999 235 V HN 0.331 nan 8.190 nan 0.000 0.424 236 K N 5.919 126.395 120.400 0.125 0.000 2.322 236 K HA 0.384 4.705 4.320 0.001 0.000 0.283 236 K C -2.386 174.208 176.600 -0.009 0.000 1.042 236 K CA -1.296 55.022 56.287 0.052 0.000 0.958 236 K CB 0.836 33.352 32.500 0.028 0.000 0.984 236 K HN 0.415 nan 8.250 nan 0.000 0.473 237 P HA 0.154 nan 4.420 nan 0.000 0.276 237 P C -2.577 174.576 177.300 -0.245 0.000 1.243 237 P CA -1.399 61.486 63.100 -0.359 0.000 0.768 237 P CB 0.174 31.526 31.700 -0.579 0.000 0.856 238 P HA 0.022 nan 4.420 nan 0.000 0.265 238 P C 0.843 178.016 177.300 -0.211 0.000 1.187 238 P CA 0.180 63.159 63.100 -0.201 0.000 0.766 238 P CB 0.399 32.021 31.700 -0.130 0.000 0.820 239 R N 1.765 122.122 120.500 -0.240 0.000 2.476 239 R HA 0.338 4.678 4.340 0.001 0.000 0.276 239 R C 0.147 176.277 176.300 -0.282 0.000 0.941 239 R CA -0.147 55.813 56.100 -0.234 0.000 1.088 239 R CB 0.367 30.531 30.300 -0.226 0.000 1.216 239 R HN 0.473 nan 8.270 nan 0.000 0.533 240 G N 1.688 110.315 108.800 -0.289 0.000 2.704 240 G HA2 0.542 4.502 3.960 0.001 0.000 0.280 240 G HA3 0.542 4.502 3.960 0.001 0.000 0.280 240 G C -1.532 173.347 174.900 -0.034 0.000 1.499 240 G CA -0.475 44.393 45.100 -0.386 0.000 1.146 240 G HN 0.031 nan 8.290 nan 0.000 0.558 241 I N 1.996 122.640 120.570 0.124 0.000 2.378 241 I HA 0.475 4.645 4.170 0.001 0.000 0.291 241 I C -0.484 175.771 176.117 0.229 0.000 0.992 241 I CA -0.958 60.437 61.300 0.158 0.000 1.154 241 I CB 2.064 40.116 38.000 0.087 0.000 1.315 241 I HN 0.371 nan 8.210 nan 0.000 0.448 242 L N 7.670 129.006 121.223 0.187 0.000 2.316 242 L HA 0.574 4.914 4.340 0.001 0.000 0.280 242 L C -1.137 175.823 176.870 0.150 0.000 1.006 242 L CA -0.185 54.704 54.840 0.082 0.000 0.836 242 L CB 0.699 42.769 42.059 0.019 0.000 1.221 242 L HN 0.391 nan 8.230 nan 0.000 0.418 243 L N 6.234 127.515 121.223 0.098 0.000 2.305 243 L HA 0.455 4.795 4.340 0.001 0.000 0.281 243 L C -0.574 176.401 176.870 0.174 0.000 1.085 243 L CA -0.618 54.297 54.840 0.125 0.000 0.813 243 L CB 0.389 42.526 42.059 0.130 0.000 1.157 243 L HN 0.696 nan 8.230 nan 0.000 0.436 244 Y N 0.816 121.128 120.300 0.021 0.000 2.638 244 Y HA 0.970 5.520 4.550 0.001 0.000 0.339 244 Y C -0.058 175.855 175.900 0.021 0.000 1.084 244 Y CA -0.847 57.259 58.100 0.011 0.000 1.068 244 Y CB 2.137 40.595 38.460 -0.004 0.000 1.294 244 Y HN 0.726 nan 8.280 nan 0.000 0.480 245 G N 0.369 109.204 108.800 0.058 0.000 2.352 245 G HA2 0.353 4.313 3.960 0.001 0.000 0.302 245 G HA3 0.353 4.313 3.960 0.001 0.000 0.302 245 G C -3.554 171.368 174.900 0.037 0.000 1.370 245 G CA -1.243 43.843 45.100 -0.024 0.000 0.918 245 G HN 0.529 nan 8.290 nan 0.000 0.610 246 P HA 0.325 nan 4.420 nan 0.000 0.271 246 P C -2.472 174.833 177.300 0.007 0.000 1.233 246 P CA -0.881 62.228 63.100 0.014 0.000 0.789 246 P CB -0.098 31.599 31.700 -0.005 0.000 0.951 247 P HA 0.065 nan 4.420 nan 0.000 0.264 247 P C 0.809 178.104 177.300 -0.008 0.000 1.193 247 P CA 1.431 64.532 63.100 0.002 0.000 0.763 247 P CB -0.143 31.554 31.700 -0.005 0.000 0.810 248 G N 2.250 111.049 108.800 -0.001 0.000 2.132 248 G HA2 -0.271 3.690 3.960 0.001 0.000 0.234 248 G HA3 -0.271 3.690 3.960 0.001 0.000 0.234 248 G C 0.843 175.741 174.900 -0.003 0.000 0.989 248 G CA 0.504 45.601 45.100 -0.005 0.000 0.676 248 G HN 0.583 nan 8.290 nan 0.000 0.522 249 T N -3.064 111.490 114.554 0.001 0.000 3.035 249 T HA 0.449 4.799 4.350 0.001 0.000 0.259 249 T C 1.982 176.688 174.700 0.011 0.000 1.078 249 T CA 1.635 63.734 62.100 -0.002 0.000 1.132 249 T CB 0.547 69.406 68.868 -0.015 0.000 0.900 249 T HN 2.048 nan 8.240 nan 0.000 0.480 250 G N 0.882 109.696 108.800 0.022 0.000 2.363 250 G HA2 -0.088 3.872 3.960 0.001 0.000 0.213 250 G HA3 -0.088 3.872 3.960 0.001 0.000 0.213 250 G C 0.596 175.521 174.900 0.042 0.000 1.028 250 G CA 0.036 45.155 45.100 0.032 0.000 0.822 250 G HN 0.442 nan 8.290 nan 0.000 0.536 251 K N -0.019 120.415 120.400 0.057 0.000 2.025 251 K HA 0.001 4.322 4.320 0.001 0.000 0.207 251 K C 2.446 179.094 176.600 0.079 0.000 1.049 251 K CA 1.837 58.188 56.287 0.107 0.000 0.933 251 K CB -0.221 32.362 32.500 0.140 0.000 0.714 251 K HN 0.220 nan 8.250 nan 0.000 0.438 252 T N 1.793 116.366 114.554 0.031 0.000 2.821 252 T HA -0.075 4.275 4.350 0.001 0.000 0.267 252 T C 1.757 176.392 174.700 -0.109 0.000 1.046 252 T CA 0.716 62.785 62.100 -0.052 0.000 1.139 252 T CB -0.150 68.707 68.868 -0.018 0.000 0.871 252 T HN 0.052 nan 8.240 nan 0.000 0.454 253 L N 0.883 122.075 121.223 -0.052 0.000 2.046 253 L HA 0.027 4.368 4.340 0.001 0.000 0.208 253 L C 2.124 178.948 176.870 -0.076 0.000 1.077 253 L CA 1.540 56.346 54.840 -0.057 0.000 0.747 253 L CB -0.425 41.630 42.059 -0.006 0.000 0.896 253 L HN 0.246 nan 8.230 nan 0.000 0.432 254 I N -0.872 119.681 120.570 -0.028 0.000 2.315 254 I HA -0.287 3.883 4.170 0.001 0.000 0.248 254 I C 2.582 178.647 176.117 -0.087 0.000 1.117 254 I CA 1.031 62.342 61.300 0.018 0.000 1.404 254 I CB -0.578 37.490 38.000 0.114 0.000 1.071 254 I HN 0.345 nan 8.210 nan 0.000 0.419 255 A N 1.005 123.652 122.820 -0.289 0.000 1.892 255 A HA -0.235 4.085 4.320 0.001 0.000 0.218 255 A C 2.366 179.633 177.584 -0.528 0.000 1.188 255 A CA 1.622 53.230 52.037 -0.715 0.000 0.631 255 A CB -0.497 17.714 19.000 -1.314 0.000 0.822 255 A HN 0.257 nan 8.150 nan 0.000 0.447 256 R N -0.427 119.833 120.500 -0.400 0.000 2.096 256 R HA -0.053 4.288 4.340 0.001 0.000 0.235 256 R C 2.427 178.480 176.300 -0.411 0.000 1.127 256 R CA 1.414 57.285 56.100 -0.383 0.000 0.968 256 R CB -1.303 28.847 30.300 -0.251 0.000 0.861 256 R HN 0.555 nan 8.270 nan 0.000 0.440 257 A N 0.827 123.448 122.820 -0.331 0.000 1.858 257 A HA -0.107 4.214 4.320 0.001 0.000 0.216 257 A C 2.519 179.777 177.584 -0.542 0.000 1.190 257 A CA 1.626 53.420 52.037 -0.403 0.000 0.617 257 A CB -0.706 18.126 19.000 -0.281 0.000 0.827 257 A HN 0.088 nan 8.150 nan 0.000 0.443 258 V N 0.033 119.730 119.914 -0.360 0.000 2.287 258 V HA -0.289 3.831 4.120 0.001 0.000 0.248 258 V C 3.076 178.871 176.094 -0.499 0.000 1.053 258 V CA 2.036 64.198 62.300 -0.231 0.000 1.027 258 V CB -1.319 30.572 31.823 0.114 0.000 0.646 258 V HN 0.633 nan 8.190 nan 0.000 0.447 259 A N 0.324 122.522 122.820 -1.036 0.000 1.917 259 A HA -0.298 4.022 4.320 0.001 0.000 0.219 259 A C 1.967 179.175 177.584 -0.626 0.000 1.182 259 A CA 2.511 53.703 52.037 -1.408 0.000 0.633 259 A CB -0.812 17.251 19.000 -1.563 0.000 0.819 259 A HN 0.741 nan 8.150 nan 0.000 0.448 260 N N -1.188 117.216 118.700 -0.493 0.000 2.422 260 N HA -0.001 4.739 4.740 0.001 0.000 0.181 260 N C 1.155 176.496 175.510 -0.282 0.000 1.080 260 N CA 0.522 53.372 53.050 -0.332 0.000 0.893 260 N CB 0.170 38.478 38.487 -0.297 0.000 0.973 260 N HN 0.442 nan 8.380 nan 0.000 0.456 261 E N 0.310 120.306 120.200 -0.339 0.000 2.447 261 E HA 0.010 4.361 4.350 0.001 0.000 0.204 261 E C 0.515 177.068 176.600 -0.079 0.000 0.977 261 E CA 0.385 56.621 56.400 -0.274 0.000 0.950 261 E CB 0.558 29.878 29.700 -0.633 0.000 0.975 261 E HN 0.317 nan 8.360 nan 0.000 0.496 262 T N -2.237 112.288 114.554 -0.049 0.000 2.913 262 T HA 0.369 4.719 4.350 0.001 0.000 0.287 262 T C 1.307 176.041 174.700 0.058 0.000 1.008 262 T CA -0.148 61.987 62.100 0.058 0.000 1.067 262 T CB 1.837 70.778 68.868 0.123 0.000 0.996 262 T HN -0.019 nan 8.240 nan 0.000 0.513 263 G N 0.707 109.552 108.800 0.074 0.000 2.484 263 G HA2 0.313 4.273 3.960 0.001 0.000 0.218 263 G HA3 0.313 4.273 3.960 0.001 0.000 0.218 263 G C 0.730 175.686 174.900 0.094 0.000 1.130 263 G CA 0.173 45.313 45.100 0.067 0.000 0.784 263 G HN 1.196 nan 8.290 nan 0.000 0.543 264 A N -0.112 122.781 122.820 0.121 0.000 2.386 264 A HA 0.509 4.829 4.320 0.001 0.000 0.248 264 A C -0.280 177.446 177.584 0.237 0.000 1.082 264 A CA -0.685 51.453 52.037 0.168 0.000 0.789 264 A CB 0.198 19.301 19.000 0.172 0.000 1.025 264 A HN 0.345 nan 8.150 nan 0.000 0.490 265 F N 1.278 121.290 119.950 0.105 0.000 2.538 265 F HA 0.455 4.983 4.527 0.001 0.000 0.371 265 F C -0.561 175.364 175.800 0.209 0.000 1.087 265 F CA -0.187 57.895 58.000 0.136 0.000 1.250 265 F CB 0.168 39.225 39.000 0.095 0.000 1.110 265 F HN 0.413 nan 8.300 nan 0.000 0.570 266 F N 7.641 127.210 119.950 -0.635 0.000 2.482 266 F HA 0.496 5.024 4.527 0.000 0.000 0.331 266 F C -1.769 173.657 175.800 -0.623 0.000 1.115 266 F CA -0.959 56.778 58.000 -0.439 0.000 0.955 266 F CB 1.003 39.855 39.000 -0.245 0.000 1.136 266 F HN 0.403 nan 8.300 nan 0.000 0.452 267 F N 7.447 126.930 119.950 -0.777 0.000 2.499 267 F HA 0.518 5.045 4.527 0.000 0.000 0.333 267 F C -1.574 173.991 175.800 -0.392 0.000 1.138 267 F CA -0.989 56.731 58.000 -0.467 0.000 0.945 267 F CB 1.226 40.056 39.000 -0.284 0.000 1.181 267 F HN 0.369 nan 8.300 nan 0.000 0.435 268 L N 7.007 128.071 121.223 -0.264 0.000 2.312 268 L HA 0.586 4.926 4.340 0.001 0.000 0.281 268 L C -1.021 175.881 176.870 0.055 0.000 1.070 268 L CA -0.060 54.771 54.840 -0.015 0.000 0.805 268 L CB 0.732 42.827 42.059 0.059 0.000 1.174 268 L HN 0.492 nan 8.230 nan 0.000 0.434 269 I N 4.960 125.645 120.570 0.191 0.000 2.418 269 I HA 0.352 4.522 4.170 0.001 0.000 0.287 269 I C -0.732 175.485 176.117 0.167 0.000 1.008 269 I CA -0.675 60.746 61.300 0.202 0.000 1.104 269 I CB 1.467 39.611 38.000 0.240 0.000 1.264 269 I HN 0.543 nan 8.210 nan 0.000 0.438 270 N N 4.535 123.308 118.700 0.122 0.000 2.434 270 N HA 0.226 4.966 4.740 0.001 0.000 0.272 270 N C 1.012 176.575 175.510 0.089 0.000 1.040 270 N CA -0.108 53.005 53.050 0.104 0.000 0.956 270 N CB 2.022 40.551 38.487 0.071 0.000 1.108 270 N HN 0.816 nan 8.380 nan 0.000 0.481 271 G N 3.577 112.425 108.800 0.081 0.000 2.631 271 G HA2 -0.234 3.726 3.960 0.001 0.000 0.219 271 G HA3 -0.234 3.726 3.960 0.001 0.000 0.219 271 G C -0.949 173.981 174.900 0.050 0.000 1.214 271 G CA 0.986 46.122 45.100 0.059 0.000 0.785 271 G HN 0.491 nan 8.290 nan 0.000 0.596 272 P HA -0.036 nan 4.420 nan 0.000 0.218 272 P C 1.735 179.056 177.300 0.036 0.000 1.149 272 P CA 1.142 64.262 63.100 0.034 0.000 0.817 272 P CB 0.036 31.753 31.700 0.029 0.000 0.785 273 E N -0.304 119.922 120.200 0.043 0.000 2.118 273 E HA -0.167 4.184 4.350 0.001 0.000 0.195 273 E C 1.861 178.491 176.600 0.051 0.000 0.992 273 E CA 1.104 57.530 56.400 0.044 0.000 0.804 273 E CB -0.384 29.345 29.700 0.048 0.000 0.741 273 E HN 0.126 nan 8.360 nan 0.000 0.458 274 I N 0.649 121.255 120.570 0.060 0.000 2.233 274 I HA -0.216 3.954 4.170 0.001 0.000 0.243 274 I C 2.214 178.359 176.117 0.046 0.000 1.093 274 I CA 0.803 62.141 61.300 0.062 0.000 1.380 274 I CB -0.794 37.251 38.000 0.074 0.000 1.067 274 I HN 0.173 nan 8.210 nan 0.000 0.413 275 M N 0.621 120.245 119.600 0.039 0.000 2.632 275 M HA -0.052 4.428 4.480 0.001 0.000 0.256 275 M C 2.221 178.536 176.300 0.025 0.000 1.080 275 M CA 0.876 56.194 55.300 0.030 0.000 1.084 275 M CB -1.518 31.098 32.600 0.026 0.000 1.439 275 M HN 0.313 nan 8.290 nan 0.000 0.509 276 S N -0.972 114.744 115.700 0.027 0.000 2.527 276 S HA 0.062 4.532 4.470 0.001 0.000 0.222 276 S C 0.847 175.460 174.600 0.022 0.000 0.985 276 S CA -0.013 58.201 58.200 0.022 0.000 0.921 276 S CB 0.146 63.359 63.200 0.022 0.000 0.772 276 S HN 0.311 nan 8.310 nan 0.000 0.529 277 K N 0.781 121.197 120.400 0.026 0.000 2.087 277 K HA 0.500 4.821 4.320 0.001 0.000 0.255 277 K C -0.233 176.380 176.600 0.022 0.000 0.988 277 K CA -0.670 55.632 56.287 0.026 0.000 0.915 277 K CB 0.747 33.267 32.500 0.034 0.000 1.043 277 K HN 0.168 nan 8.250 nan 0.000 0.457 278 L N 2.022 123.257 121.223 0.020 0.000 2.529 278 L HA -0.036 4.304 4.340 0.001 0.000 0.287 278 L C 0.167 177.047 176.870 0.016 0.000 1.241 278 L CA -0.187 54.663 54.840 0.017 0.000 0.857 278 L CB 0.413 42.481 42.059 0.015 0.000 1.113 278 L HN 0.756 nan 8.230 nan 0.000 0.504 279 A N 3.114 125.942 122.820 0.013 0.000 2.561 279 A HA 0.356 4.676 4.320 0.001 0.000 0.251 279 A C 1.228 178.818 177.584 0.011 0.000 1.062 279 A CA 0.722 52.766 52.037 0.012 0.000 0.761 279 A CB -0.510 18.496 19.000 0.010 0.000 0.986 279 A HN 1.156 nan 8.150 nan 0.000 0.510 280 G N 1.476 110.282 108.800 0.010 0.000 2.812 280 G HA2 -0.325 3.635 3.960 0.001 0.000 0.219 280 G HA3 -0.325 3.635 3.960 0.001 0.000 0.219 280 G C 1.182 176.090 174.900 0.013 0.000 1.275 280 G CA 0.720 45.825 45.100 0.008 0.000 0.769 280 G HN 0.811 nan 8.290 nan 0.000 0.527 281 E N 1.346 121.557 120.200 0.017 0.000 2.209 281 E HA -0.137 4.213 4.350 0.001 0.000 0.196 281 E C 2.661 179.280 176.600 0.032 0.000 0.993 281 E CA 1.967 58.381 56.400 0.024 0.000 0.819 281 E CB -0.143 29.572 29.700 0.024 0.000 0.745 281 E HN 0.731 nan 8.360 nan 0.000 0.477 282 S N 0.219 115.936 115.700 0.029 0.000 2.371 282 S HA -0.115 4.355 4.470 0.001 0.000 0.224 282 S C 1.781 176.401 174.600 0.033 0.000 1.029 282 S CA 0.833 59.055 58.200 0.037 0.000 0.978 282 S CB -0.227 62.993 63.200 0.033 0.000 0.833 282 S HN 0.178 nan 8.310 nan 0.000 0.466 283 E N 1.732 121.942 120.200 0.018 0.000 2.110 283 E HA -0.081 4.269 4.350 0.001 0.000 0.193 283 E C 2.248 178.851 176.600 0.004 0.000 0.988 283 E CA 1.086 57.487 56.400 0.002 0.000 0.804 283 E CB -0.339 29.356 29.700 -0.010 0.000 0.745 283 E HN 0.568 nan 8.360 nan 0.000 0.458 284 S N 0.456 116.165 115.700 0.015 0.000 2.370 284 S HA -0.214 4.256 4.470 0.001 0.000 0.226 284 S C 1.649 176.273 174.600 0.040 0.000 1.033 284 S CA 1.823 60.036 58.200 0.021 0.000 1.011 284 S CB -0.343 62.871 63.200 0.024 0.000 0.852 284 S HN 0.304 nan 8.310 nan 0.000 0.457 285 N N 0.475 119.211 118.700 0.060 0.000 2.244 285 N HA 0.072 4.813 4.740 0.001 0.000 0.183 285 N C 1.822 177.400 175.510 0.114 0.000 1.016 285 N CA 0.972 54.080 53.050 0.097 0.000 0.866 285 N CB -0.168 38.387 38.487 0.113 0.000 0.980 285 N HN 0.327 nan 8.380 nan 0.000 0.430 286 L N 0.964 122.241 121.223 0.089 0.000 2.027 286 L HA -0.110 4.230 4.340 0.001 0.000 0.206 286 L C 2.472 179.395 176.870 0.090 0.000 1.074 286 L CA 1.151 56.053 54.840 0.104 0.000 0.745 286 L CB -0.142 41.937 42.059 0.034 0.000 0.898 286 L HN 0.186 nan 8.230 nan 0.000 0.433 287 R N -0.252 120.256 120.500 0.013 0.000 2.073 287 R HA -0.219 4.122 4.340 0.001 0.000 0.234 287 R C 2.275 178.598 176.300 0.037 0.000 1.134 287 R CA 1.365 57.464 56.100 -0.003 0.000 0.952 287 R CB -0.249 30.036 30.300 -0.025 0.000 0.850 287 R HN 0.063 nan 8.270 nan 0.000 0.433 288 K N 0.927 121.344 120.400 0.028 0.000 2.152 288 K HA -0.092 4.229 4.320 0.001 0.000 0.206 288 K C 1.800 178.332 176.600 -0.113 0.000 1.048 288 K CA 1.552 57.842 56.287 0.005 0.000 0.933 288 K CB -0.298 32.235 32.500 0.056 0.000 0.721 288 K HN 0.183 nan 8.250 nan 0.000 0.447 289 A N -0.497 122.222 122.820 -0.168 0.000 1.877 289 A HA -0.096 4.224 4.320 0.001 0.000 0.216 289 A C 2.072 179.357 177.584 -0.498 0.000 1.186 289 A CA 1.483 53.120 52.037 -0.667 0.000 0.620 289 A CB -0.770 18.067 19.000 -0.271 0.000 0.822 289 A HN 0.329 nan 8.150 nan 0.000 0.443 290 F N 0.046 119.821 119.950 -0.291 0.000 2.234 290 F HA -0.007 4.521 4.527 0.000 0.000 0.296 290 F C 2.407 178.113 175.800 -0.157 0.000 1.089 290 F CA 1.551 59.437 58.000 -0.189 0.000 1.343 290 F CB -0.351 38.578 39.000 -0.119 0.000 1.040 290 F HN 0.293 nan 8.300 nan 0.000 0.498 291 E N -0.225 120.002 120.200 0.046 0.000 2.110 291 E HA -0.252 4.099 4.350 0.001 0.000 0.193 291 E C 1.948 178.505 176.600 -0.071 0.000 0.988 291 E CA 1.411 57.805 56.400 -0.011 0.000 0.804 291 E CB -0.152 29.544 29.700 -0.007 0.000 0.745 291 E HN 0.298 nan 8.360 nan 0.000 0.458 292 E N 0.592 120.714 120.200 -0.130 0.000 2.072 292 E HA -0.139 4.212 4.350 0.001 0.000 0.191 292 E C 1.856 178.384 176.600 -0.120 0.000 0.985 292 E CA 1.215 57.541 56.400 -0.123 0.000 0.801 292 E CB -0.110 29.518 29.700 -0.120 0.000 0.750 292 E HN 0.259 nan 8.360 nan 0.000 0.452 293 A N 0.460 123.212 122.820 -0.113 0.000 1.873 293 A HA -0.198 4.123 4.320 0.001 0.000 0.215 293 A C 2.092 179.637 177.584 -0.064 0.000 1.186 293 A CA 1.689 53.724 52.037 -0.004 0.000 0.616 293 A CB -0.603 18.306 19.000 -0.152 0.000 0.823 293 A HN 0.289 nan 8.150 nan 0.000 0.442 294 E N -0.532 119.621 120.200 -0.079 0.000 2.085 294 E HA -0.209 4.141 4.350 0.001 0.000 0.194 294 E C 2.119 178.677 176.600 -0.071 0.000 0.994 294 E CA 1.421 57.791 56.400 -0.051 0.000 0.801 294 E CB -0.069 29.617 29.700 -0.023 0.000 0.743 294 E HN 0.562 nan 8.360 nan 0.000 0.453 295 K N 0.517 120.851 120.400 -0.109 0.000 2.097 295 K HA -0.072 4.249 4.320 0.001 0.000 0.205 295 K C -0.134 176.351 176.600 -0.191 0.000 1.050 295 K CA 0.786 56.996 56.287 -0.128 0.000 0.938 295 K CB 0.041 32.465 32.500 -0.127 0.000 0.718 295 K HN 0.035 nan 8.250 nan 0.000 0.442 296 N N 0.347 118.850 118.700 -0.328 0.000 2.527 296 N HA 0.282 5.022 4.740 0.001 0.000 0.236 296 N C -0.910 174.444 175.510 -0.260 0.000 0.999 296 N CA 0.186 52.951 53.050 -0.475 0.000 0.935 296 N CB 1.530 39.268 38.487 -1.248 0.000 1.132 296 N HN 0.324 nan 8.380 nan 0.000 0.511 297 A N 3.199 125.941 122.820 -0.129 0.000 6.484 297 A HA -0.165 4.155 4.320 0.001 0.000 0.261 297 A C -2.252 175.340 177.584 0.013 0.000 2.084 297 A CA -0.674 51.339 52.037 -0.040 0.000 0.721 297 A CB -1.805 17.201 19.000 0.010 0.000 1.059 297 A HN 0.475 nan 8.150 nan 0.000 0.382 298 P HA 0.414 nan 4.420 nan 0.000 0.262 298 P C -0.207 177.170 177.300 0.128 0.000 1.182 298 P CA 1.327 64.465 63.100 0.064 0.000 0.761 298 P CB 0.309 32.020 31.700 0.019 0.000 0.795 299 A N 3.839 126.736 122.820 0.128 0.000 2.498 299 A HA 0.759 5.079 4.320 0.001 0.000 0.298 299 A C -0.911 176.712 177.584 0.066 0.000 1.075 299 A CA -0.721 51.425 52.037 0.182 0.000 0.714 299 A CB 1.247 20.411 19.000 0.273 0.000 1.299 299 A HN 0.416 nan 8.150 nan 0.000 0.407 300 I N 1.725 122.308 120.570 0.021 0.000 2.406 300 I HA 0.391 4.561 4.170 0.001 0.000 0.290 300 I C -0.869 175.048 176.117 -0.335 0.000 0.999 300 I CA -0.258 60.976 61.300 -0.110 0.000 1.124 300 I CB 1.710 39.716 38.000 0.011 0.000 1.289 300 I HN 0.472 nan 8.210 nan 0.000 0.441 301 I N 6.126 126.516 120.570 -0.300 0.000 2.339 301 I HA 0.283 4.453 4.170 0.001 0.000 0.290 301 I C -0.847 175.126 176.117 -0.239 0.000 0.994 301 I CA -0.394 60.717 61.300 -0.316 0.000 1.191 301 I CB 1.208 38.956 38.000 -0.419 0.000 1.343 301 I HN 0.441 nan 8.210 nan 0.000 0.458 302 F N 7.715 127.431 119.950 -0.390 0.000 2.332 302 F HA 0.509 5.036 4.527 0.000 0.000 0.368 302 F C -0.032 175.756 175.800 -0.019 0.000 1.110 302 F CA -0.581 57.316 58.000 -0.171 0.000 1.087 302 F CB 0.770 39.688 39.000 -0.136 0.000 1.235 302 F HN 0.271 nan 8.300 nan 0.000 0.470 303 I N 5.181 125.692 120.570 -0.099 0.000 2.269 303 I HA 0.122 4.292 4.170 0.001 0.000 0.293 303 I C -0.301 175.843 176.117 0.044 0.000 1.106 303 I CA -0.351 60.968 61.300 0.031 0.000 1.248 303 I CB 0.113 38.126 38.000 0.021 0.000 1.444 303 I HN 0.438 nan 8.210 nan 0.000 0.497 304 D N 6.423 127.001 120.400 0.296 0.000 2.304 304 D HA 0.089 4.730 4.640 0.001 0.000 0.250 304 D C 0.195 176.582 176.300 0.146 0.000 1.107 304 D CA 0.258 54.452 54.000 0.323 0.000 0.885 304 D CB 0.637 41.641 40.800 0.341 0.000 1.192 304 D HN 0.499 nan 8.370 nan 0.000 0.436 305 E N 1.490 121.755 120.200 0.109 0.000 2.246 305 E HA -0.246 4.105 4.350 0.001 0.000 0.211 305 E C 0.772 177.379 176.600 0.011 0.000 1.278 305 E CA -0.173 56.258 56.400 0.052 0.000 0.694 305 E CB -0.992 28.740 29.700 0.053 0.000 1.166 305 E HN 0.415 nan 8.360 nan 0.000 0.370 306 L N 1.733 122.933 121.223 -0.039 0.000 2.081 306 L HA -0.229 4.112 4.340 0.001 0.000 0.212 306 L C 2.211 179.044 176.870 -0.062 0.000 1.080 306 L CA 2.724 57.510 54.840 -0.090 0.000 0.754 306 L CB -0.272 41.646 42.059 -0.235 0.000 0.893 306 L HN 0.474 nan 8.230 nan 0.000 0.433 307 D N -0.488 119.882 120.400 -0.050 0.000 2.271 307 D HA -0.259 4.381 4.640 0.001 0.000 0.207 307 D C 1.873 178.167 176.300 -0.010 0.000 0.983 307 D CA 1.250 55.232 54.000 -0.030 0.000 0.878 307 D CB -0.276 40.511 40.800 -0.021 0.000 0.920 307 D HN 0.520 nan 8.370 nan 0.000 0.479 308 A N 1.611 124.431 122.820 -0.000 0.000 1.902 308 A HA -0.077 4.244 4.320 0.001 0.000 0.217 308 A C 2.506 180.097 177.584 0.013 0.000 1.181 308 A CA 1.825 53.868 52.037 0.011 0.000 0.623 308 A CB -0.717 18.295 19.000 0.020 0.000 0.818 308 A HN 0.510 nan 8.150 nan 0.000 0.443 309 I N -5.008 115.568 120.570 0.011 0.000 3.265 309 I HA 0.457 4.627 4.170 0.001 0.000 0.282 309 I C 1.208 177.330 176.117 0.009 0.000 1.207 309 I CA 0.837 62.147 61.300 0.016 0.000 1.449 309 I CB 0.381 38.399 38.000 0.030 0.000 1.121 309 I HN 0.137 nan 8.210 nan 0.000 0.442 310 A N 2.969 125.787 122.820 -0.004 0.000 3.248 310 A HA 0.616 4.936 4.320 0.001 0.000 0.315 310 A C -2.643 174.933 177.584 -0.013 0.000 0.974 310 A CA -1.236 50.797 52.037 -0.007 0.000 0.939 310 A CB -0.627 18.367 19.000 -0.011 0.000 1.061 310 A HN 0.177 nan 8.150 nan 0.000 0.481 311 P HA 0.228 nan 4.420 nan 0.000 0.282 311 P C -0.581 176.718 177.300 -0.003 0.000 1.287 311 P CA -0.503 62.595 63.100 -0.004 0.000 0.792 311 P CB 0.614 32.318 31.700 0.006 0.000 1.163 312 K N 0.915 121.313 120.400 -0.003 0.000 2.351 312 K HA 0.051 4.371 4.320 0.001 0.000 0.287 312 K C 1.595 178.192 176.600 -0.006 0.000 1.068 312 K CA 0.250 56.534 56.287 -0.005 0.000 0.998 312 K CB -0.035 32.461 32.500 -0.007 0.000 0.968 312 K HN 0.277 nan 8.250 nan 0.000 0.464 313 R N 2.156 122.653 120.500 -0.006 0.000 2.153 313 R HA -0.275 4.066 4.340 0.001 0.000 0.252 313 R C 1.910 178.199 176.300 -0.019 0.000 1.158 313 R CA 2.221 58.315 56.100 -0.010 0.000 0.975 313 R CB -0.131 30.164 30.300 -0.009 0.000 0.871 313 R HN 0.740 nan 8.270 nan 0.000 0.450 314 E N 0.790 120.978 120.200 -0.020 0.000 2.118 314 E HA -0.226 4.125 4.350 0.001 0.000 0.195 314 E C 0.792 177.367 176.600 -0.043 0.000 0.992 314 E CA 1.233 57.615 56.400 -0.029 0.000 0.804 314 E CB -0.087 29.600 29.700 -0.022 0.000 0.741 314 E HN 0.091 nan 8.360 nan 0.000 0.458 315 K N 0.780 121.162 120.400 -0.031 0.000 2.682 315 K HA 0.177 4.497 4.320 0.001 0.000 0.189 315 K C -1.519 175.081 176.600 -0.001 0.000 1.062 315 K CA -0.142 56.126 56.287 -0.031 0.000 0.997 315 K CB 1.275 33.770 32.500 -0.009 0.000 1.405 315 K HN 0.012 nan 8.250 nan 0.000 0.588 316 T N 0.521 115.062 114.554 -0.022 0.000 3.395 316 T HA 0.182 4.532 4.350 0.001 0.000 0.330 316 T C 0.426 175.145 174.700 0.032 0.000 1.076 316 T CA -0.627 61.501 62.100 0.047 0.000 1.070 316 T CB 0.643 69.534 68.868 0.040 0.000 1.119 316 T HN 0.528 nan 8.240 nan 0.000 0.462 317 H N 2.707 121.776 119.070 -0.002 0.000 2.357 317 H HA 0.118 4.674 4.556 0.000 0.000 0.301 317 H C 1.500 176.828 175.328 -0.001 0.000 1.082 317 H CA 0.858 56.905 56.048 -0.001 0.000 1.342 317 H CB 0.153 29.914 29.762 -0.001 0.000 1.389 317 H HN 0.673 nan 8.280 nan 0.000 0.511 318 G N 0.387 109.260 108.800 0.122 0.000 2.444 318 G HA2 0.054 4.015 3.960 0.001 0.000 0.268 318 G HA3 0.054 4.015 3.960 0.001 0.000 0.268 318 G C 0.518 175.440 174.900 0.036 0.000 1.203 318 G CA -0.392 44.748 45.100 0.066 0.000 0.835 318 G HN 0.314 nan 8.290 nan 0.000 0.543 319 E N 0.577 120.792 120.200 0.025 0.000 2.072 319 E HA -0.126 4.225 4.350 0.001 0.000 0.190 319 E C 2.655 179.261 176.600 0.010 0.000 0.982 319 E CA 0.643 57.051 56.400 0.013 0.000 0.803 319 E CB 0.024 29.729 29.700 0.009 0.000 0.755 319 E HN 0.329 nan 8.360 nan 0.000 0.453 320 V N 1.565 121.487 119.914 0.013 0.000 2.392 320 V HA -0.269 3.852 4.120 0.001 0.000 0.249 320 V C 1.941 178.042 176.094 0.011 0.000 1.059 320 V CA 1.899 64.206 62.300 0.011 0.000 1.051 320 V CB -0.506 31.324 31.823 0.013 0.000 0.658 320 V HN 0.226 nan 8.190 nan 0.000 0.455 321 E N -0.153 120.058 120.200 0.017 0.000 2.072 321 E HA -0.176 4.174 4.350 0.001 0.000 0.191 321 E C 2.500 179.107 176.600 0.012 0.000 0.985 321 E CA 1.038 57.449 56.400 0.018 0.000 0.801 321 E CB -0.163 29.554 29.700 0.029 0.000 0.750 321 E HN 0.510 nan 8.360 nan 0.000 0.452 322 R N 0.299 120.805 120.500 0.009 0.000 2.092 322 R HA -0.015 4.325 4.340 0.001 0.000 0.231 322 R C 2.402 178.700 176.300 -0.003 0.000 1.119 322 R CA 0.848 56.949 56.100 0.001 0.000 0.970 322 R CB -0.091 30.208 30.300 -0.002 0.000 0.864 322 R HN 0.009 nan 8.270 nan 0.000 0.440 323 R N 0.535 121.034 120.500 -0.003 0.000 2.096 323 R HA -0.113 4.227 4.340 0.001 0.000 0.235 323 R C 2.052 178.345 176.300 -0.013 0.000 1.127 323 R CA 1.315 57.410 56.100 -0.009 0.000 0.968 323 R CB -0.181 30.114 30.300 -0.007 0.000 0.861 323 R HN 0.138 nan 8.270 nan 0.000 0.440 324 I N -0.102 120.464 120.570 -0.006 0.000 2.179 324 I HA -0.275 3.896 4.170 0.001 0.000 0.242 324 I C 2.136 178.247 176.117 -0.011 0.000 1.088 324 I CA 1.074 62.370 61.300 -0.007 0.000 1.357 324 I CB -0.089 37.914 38.000 0.006 0.000 1.051 324 I HN -0.038 nan 8.210 nan 0.000 0.409 325 V N -0.447 119.465 119.914 -0.005 0.000 2.332 325 V HA -0.308 3.812 4.120 0.001 0.000 0.248 325 V C 2.460 178.546 176.094 -0.013 0.000 1.055 325 V CA 2.204 64.502 62.300 -0.002 0.000 1.038 325 V CB -0.956 30.868 31.823 0.002 0.000 0.651 325 V HN 0.377 nan 8.190 nan 0.000 0.450 326 S N -0.590 115.098 115.700 -0.020 0.000 2.383 326 S HA -0.264 4.206 4.470 0.001 0.000 0.227 326 S C 2.035 176.604 174.600 -0.051 0.000 1.026 326 S CA 1.714 59.896 58.200 -0.029 0.000 0.981 326 S CB -0.338 62.847 63.200 -0.025 0.000 0.818 326 S HN 0.656 nan 8.310 nan 0.000 0.472 327 Q N 1.182 120.948 119.800 -0.057 0.000 2.096 327 Q HA -0.092 4.248 4.340 0.001 0.000 0.204 327 Q C 1.983 177.894 176.000 -0.148 0.000 0.982 327 Q CA 1.336 57.084 55.803 -0.091 0.000 0.850 327 Q CB -0.544 28.150 28.738 -0.073 0.000 0.901 327 Q HN 0.443 nan 8.270 nan 0.000 0.422 328 L N -0.510 120.645 121.223 -0.114 0.000 2.027 328 L HA -0.031 4.309 4.340 0.001 0.000 0.206 328 L C 2.050 178.846 176.870 -0.123 0.000 1.074 328 L CA 1.563 56.323 54.840 -0.134 0.000 0.745 328 L CB -0.642 41.408 42.059 -0.015 0.000 0.898 328 L HN 0.385 nan 8.230 nan 0.000 0.433 329 L N -0.909 120.280 121.223 -0.057 0.000 2.043 329 L HA -0.281 4.059 4.340 0.001 0.000 0.212 329 L C 2.362 179.184 176.870 -0.080 0.000 1.075 329 L CA 2.009 56.824 54.840 -0.042 0.000 0.752 329 L CB -1.071 40.976 42.059 -0.019 0.000 0.891 329 L HN 0.313 nan 8.230 nan 0.000 0.432 330 T N 0.053 114.546 114.554 -0.102 0.000 2.746 330 T HA -0.177 4.173 4.350 0.001 0.000 0.267 330 T C 1.927 176.530 174.700 -0.162 0.000 1.039 330 T CA 1.331 63.364 62.100 -0.112 0.000 1.142 330 T CB -0.273 68.533 68.868 -0.104 0.000 0.866 330 T HN 0.192 nan 8.240 nan 0.000 0.444 331 L N 0.281 121.331 121.223 -0.287 0.000 2.046 331 L HA -0.074 4.267 4.340 0.001 0.000 0.208 331 L C 2.784 179.499 176.870 -0.259 0.000 1.077 331 L CA 0.870 55.427 54.840 -0.473 0.000 0.747 331 L CB -0.565 40.789 42.059 -1.175 0.000 0.896 331 L HN 0.228 nan 8.230 nan 0.000 0.432 332 M N -0.452 119.045 119.600 -0.172 0.000 2.144 332 M HA -0.217 4.263 4.480 0.001 0.000 0.260 332 M C 1.529 177.795 176.300 -0.055 0.000 1.067 332 M CA 1.696 56.972 55.300 -0.041 0.000 1.095 332 M CB -1.032 31.521 32.600 -0.078 0.000 1.365 332 M HN 0.246 nan 8.290 nan 0.000 0.406 333 D N -0.855 119.505 120.400 -0.065 0.000 2.348 333 D HA 0.081 4.721 4.640 0.001 0.000 0.211 333 D C 1.998 178.273 176.300 -0.042 0.000 0.998 333 D CA 0.779 54.750 54.000 -0.050 0.000 0.873 333 D CB -0.397 40.380 40.800 -0.040 0.000 0.925 333 D HN 0.398 nan 8.370 nan 0.000 0.524 334 G N 0.736 109.507 108.800 -0.049 0.000 2.422 334 G HA2 -0.076 3.884 3.960 0.001 0.000 0.218 334 G HA3 -0.076 3.884 3.960 0.001 0.000 0.218 334 G C 0.773 175.666 174.900 -0.012 0.000 1.140 334 G CA -0.002 45.075 45.100 -0.038 0.000 0.775 334 G HN 0.221 nan 8.290 nan 0.000 0.545 335 L N 1.484 122.714 121.223 0.011 0.000 2.433 335 L HA 0.221 4.561 4.340 0.001 0.000 0.275 335 L C 0.542 177.389 176.870 -0.038 0.000 1.128 335 L CA -0.231 54.609 54.840 0.001 0.000 0.875 335 L CB 0.635 42.699 42.059 0.009 0.000 1.171 335 L HN 0.042 nan 8.230 nan 0.000 0.463 336 K N 1.964 122.337 120.400 -0.046 0.000 2.120 336 K HA 0.082 4.403 4.320 0.001 0.000 0.245 336 K C 0.931 177.471 176.600 -0.100 0.000 1.024 336 K CA -0.800 55.451 56.287 -0.060 0.000 0.906 336 K CB 0.673 33.144 32.500 -0.049 0.000 1.051 336 K HN 0.486 nan 8.250 nan 0.000 0.491 337 Q N 1.146 120.884 119.800 -0.105 0.000 2.045 337 Q HA -0.228 4.112 4.340 0.001 0.000 0.206 337 Q C 1.644 177.483 176.000 -0.268 0.000 0.991 337 Q CA 1.903 57.617 55.803 -0.148 0.000 0.851 337 Q CB -0.522 28.155 28.738 -0.102 0.000 0.911 337 Q HN 0.520 nan 8.270 nan 0.000 0.418 338 R N 0.541 120.891 120.500 -0.250 0.000 2.366 338 R HA 0.220 4.560 4.340 0.001 0.000 0.201 338 R C 1.660 177.746 176.300 -0.358 0.000 1.057 338 R CA 0.896 56.777 56.100 -0.364 0.000 1.086 338 R CB -0.652 29.570 30.300 -0.130 0.000 0.914 338 R HN 0.162 nan 8.270 nan 0.000 0.476 339 A N 0.825 123.484 122.820 -0.268 0.000 2.016 339 A HA -0.076 4.244 4.320 0.001 0.000 0.217 339 A C 0.060 177.610 177.584 -0.056 0.000 1.162 339 A CA 0.594 52.559 52.037 -0.119 0.000 0.662 339 A CB -0.588 18.365 19.000 -0.078 0.000 0.812 339 A HN 0.669 nan 8.150 nan 0.000 0.450 340 H N -1.662 117.382 119.070 -0.044 0.000 2.677 340 H HA -0.122 4.434 4.556 0.001 0.000 0.321 340 H C -0.932 174.365 175.328 -0.051 0.000 1.171 340 H CA 0.698 56.717 56.048 -0.049 0.000 1.139 340 H CB -2.340 27.403 29.762 -0.031 0.000 1.515 340 H HN 0.249 nan 8.280 nan 0.000 0.423 341 V N 2.843 122.745 119.914 -0.021 0.000 2.525 341 V HA 0.356 4.476 4.120 0.001 0.000 0.299 341 V C 0.445 176.476 176.094 -0.104 0.000 1.034 341 V CA -0.686 61.579 62.300 -0.057 0.000 0.863 341 V CB 2.540 34.307 31.823 -0.094 0.000 0.999 341 V HN 0.209 nan 8.190 nan 0.000 0.423 342 I N 5.263 125.774 120.570 -0.098 0.000 2.377 342 I HA 0.471 4.641 4.170 0.001 0.000 0.293 342 I C -0.196 175.835 176.117 -0.142 0.000 0.987 342 I CA -0.683 60.547 61.300 -0.117 0.000 1.185 342 I CB 1.944 39.903 38.000 -0.068 0.000 1.341 342 I HN 0.250 nan 8.210 nan 0.000 0.455 343 V N 6.734 126.542 119.914 -0.177 0.000 2.370 343 V HA 0.425 4.545 4.120 0.001 0.000 0.279 343 V C 0.339 176.431 176.094 -0.003 0.000 1.029 343 V CA -0.499 61.716 62.300 -0.142 0.000 0.870 343 V CB 1.363 33.082 31.823 -0.174 0.000 0.984 343 V HN 0.646 nan 8.190 nan 0.000 0.451 344 M N 3.855 123.420 119.600 -0.058 0.000 2.423 344 M HA 0.815 5.295 4.480 0.001 0.000 0.335 344 M C -0.128 175.890 176.300 -0.470 0.000 1.177 344 M CA -0.338 54.856 55.300 -0.177 0.000 1.038 344 M CB 2.083 34.547 32.600 -0.226 0.000 1.641 344 M HN 0.772 nan 8.290 nan 0.000 0.455 345 A N 1.742 124.265 122.820 -0.495 0.000 2.549 345 A HA 0.930 5.250 4.320 0.001 0.000 0.297 345 A C -1.639 175.690 177.584 -0.426 0.000 1.061 345 A CA -0.678 50.984 52.037 -0.625 0.000 0.690 345 A CB 1.570 20.154 19.000 -0.692 0.000 1.287 345 A HN 0.865 nan 8.150 nan 0.000 0.402 346 A N 0.595 123.272 122.820 -0.239 0.000 2.355 346 A HA 0.928 5.248 4.320 0.001 0.000 0.317 346 A C -0.322 177.275 177.584 0.023 0.000 1.094 346 A CA -0.211 51.843 52.037 0.029 0.000 0.764 346 A CB 1.628 20.806 19.000 0.298 0.000 1.230 346 A HN 1.635 nan 8.150 nan 0.000 0.448 347 T N 0.035 114.616 114.554 0.046 0.000 2.894 347 T HA 0.443 4.794 4.350 0.001 0.000 0.309 347 T C 0.022 174.768 174.700 0.076 0.000 1.208 347 T CA -0.137 61.987 62.100 0.039 0.000 1.016 347 T CB 1.017 69.879 68.868 -0.010 0.000 1.192 347 T HN 0.839 nan 8.240 nan 0.000 0.491 348 N N 1.639 120.373 118.700 0.057 0.000 2.236 348 N HA 0.131 4.871 4.740 0.001 0.000 0.196 348 N C 0.264 175.806 175.510 0.054 0.000 1.114 348 N CA -0.330 52.757 53.050 0.062 0.000 0.859 348 N CB 0.165 38.677 38.487 0.042 0.000 0.982 348 N HN 0.628 nan 8.380 nan 0.000 0.493 349 R N -0.367 120.155 120.500 0.037 0.000 2.644 349 R HA 0.372 4.712 4.340 0.001 0.000 0.271 349 R C -2.363 173.933 176.300 -0.007 0.000 1.687 349 R CA -1.277 54.834 56.100 0.018 0.000 1.655 349 R CB 0.849 31.154 30.300 0.009 0.000 1.285 349 R HN -0.044 nan 8.270 nan 0.000 0.643 350 P HA -0.146 nan 4.420 nan 0.000 0.220 350 P C 0.055 177.301 177.300 -0.090 0.000 1.148 350 P CA 0.976 64.025 63.100 -0.085 0.000 0.803 350 P CB 0.237 31.822 31.700 -0.192 0.000 0.782 351 N N -0.121 118.539 118.700 -0.065 0.000 2.515 351 N HA -0.050 4.690 4.740 0.001 0.000 0.185 351 N C 1.471 176.960 175.510 -0.036 0.000 1.109 351 N CA 0.942 53.961 53.050 -0.053 0.000 0.903 351 N CB -0.458 38.005 38.487 -0.040 0.000 0.969 351 N HN 0.292 nan 8.380 nan 0.000 0.450 352 S N -0.775 114.907 115.700 -0.031 0.000 2.556 352 S HA 0.256 4.726 4.470 0.001 0.000 0.216 352 S C 0.547 175.132 174.600 -0.025 0.000 0.970 352 S CA -0.465 57.723 58.200 -0.020 0.000 0.912 352 S CB -0.077 63.117 63.200 -0.011 0.000 0.790 352 S HN 0.039 nan 8.310 nan 0.000 0.504 353 I N 2.687 123.233 120.570 -0.039 0.000 2.428 353 I HA 0.189 4.360 4.170 0.001 0.000 0.289 353 I C 0.377 176.477 176.117 -0.028 0.000 1.019 353 I CA -0.586 60.688 61.300 -0.044 0.000 1.351 353 I CB 0.700 38.655 38.000 -0.076 0.000 1.412 353 I HN 0.142 nan 8.210 nan 0.000 0.513 354 D N 8.349 128.739 120.400 -0.016 0.000 2.581 354 D HA -0.050 4.591 4.640 0.001 0.000 0.238 354 D C -1.615 174.687 176.300 0.003 0.000 1.145 354 D CA -0.772 53.226 54.000 -0.004 0.000 0.866 354 D CB 1.308 42.110 40.800 0.004 0.000 1.151 354 D HN 0.247 nan 8.370 nan 0.000 0.500 355 P HA -0.117 nan 4.420 nan 0.000 0.219 355 P C 0.990 178.306 177.300 0.026 0.000 1.146 355 P CA 1.170 64.275 63.100 0.008 0.000 0.808 355 P CB 0.127 31.829 31.700 0.003 0.000 0.779 356 A N -0.671 122.165 122.820 0.027 0.000 1.986 356 A HA -0.180 4.140 4.320 0.001 0.000 0.220 356 A C 2.072 179.692 177.584 0.059 0.000 1.171 356 A CA 1.470 53.529 52.037 0.036 0.000 0.640 356 A CB -1.651 17.364 19.000 0.025 0.000 0.811 356 A HN 0.179 nan 8.150 nan 0.000 0.451 357 L N -1.551 119.719 121.223 0.079 0.000 2.395 357 L HA 0.033 4.373 4.340 0.001 0.000 0.218 357 L C 2.293 179.284 176.870 0.202 0.000 1.130 357 L CA 0.676 55.611 54.840 0.157 0.000 0.826 357 L CB -0.039 42.117 42.059 0.163 0.000 0.941 357 L HN 0.242 nan 8.230 nan 0.000 0.451 358 R N -0.823 119.747 120.500 0.116 0.000 2.427 358 R HA 0.149 4.489 4.340 0.001 0.000 0.262 358 R C 0.331 176.682 176.300 0.085 0.000 0.943 358 R CA -0.235 55.928 56.100 0.105 0.000 1.081 358 R CB 0.358 30.685 30.300 0.046 0.000 1.166 358 R HN 0.136 nan 8.270 nan 0.000 0.534 359 R N -0.083 120.468 120.500 0.085 0.000 2.649 359 R HA 0.104 4.444 4.340 0.001 0.000 0.270 359 R C -0.336 176.035 176.300 0.119 0.000 1.105 359 R CA -0.418 55.744 56.100 0.102 0.000 1.193 359 R CB 0.254 30.608 30.300 0.091 0.000 1.120 359 R HN -0.082 nan 8.270 nan 0.000 0.561 360 F N 0.986 120.937 119.950 0.001 0.000 2.612 360 F HA 0.142 4.670 4.527 0.000 0.000 0.389 360 F C 1.394 177.179 175.800 -0.025 0.000 1.055 360 F CA 2.166 60.160 58.000 -0.008 0.000 1.232 360 F CB 0.314 39.310 39.000 -0.006 0.000 1.044 360 F HN 0.729 nan 8.300 nan 0.000 0.560 361 G N 4.524 113.019 108.800 -0.510 0.000 2.234 361 G HA2 -0.302 3.658 3.960 0.001 0.000 0.235 361 G HA3 -0.302 3.658 3.960 0.001 0.000 0.235 361 G C 0.872 175.613 174.900 -0.264 0.000 0.997 361 G CA 0.400 45.282 45.100 -0.362 0.000 0.623 361 G HN 0.706 nan 8.290 nan 0.000 0.514 362 R N -0.942 119.433 120.500 -0.209 0.000 1.866 362 R HA 0.652 4.992 4.340 0.001 0.000 0.115 362 R C 0.153 176.228 176.300 -0.376 0.000 1.738 362 R CA -0.321 55.619 56.100 -0.266 0.000 1.723 362 R CB -0.324 29.923 30.300 -0.088 0.000 1.274 362 R HN 0.079 nan 8.270 nan 0.000 0.535 363 F N 2.755 122.673 119.950 -0.054 0.000 2.640 363 F HA 0.089 4.616 4.527 0.001 0.000 0.354 363 F C 0.406 176.175 175.800 -0.052 0.000 1.213 363 F CA -0.333 57.634 58.000 -0.056 0.000 1.314 363 F CB -0.020 38.953 39.000 -0.045 0.000 1.679 363 F HN 0.379 nan 8.300 nan 0.000 0.622 364 D N -0.316 120.084 120.400 0.000 0.000 2.319 364 D HA 0.013 4.653 4.640 0.001 0.000 0.230 364 D C 0.446 176.755 176.300 0.014 0.000 1.094 364 D CA 0.122 54.115 54.000 -0.012 0.000 0.856 364 D CB 0.131 40.850 40.800 -0.135 0.000 0.915 364 D HN 0.109 nan 8.370 nan 0.000 0.517 365 R N 0.450 120.981 120.500 0.051 0.000 2.574 365 R HA 0.450 4.791 4.340 0.001 0.000 0.288 365 R C -0.804 175.569 176.300 0.121 0.000 1.004 365 R CA -0.453 55.689 56.100 0.070 0.000 0.895 365 R CB 1.922 32.246 30.300 0.041 0.000 1.191 365 R HN 0.104 nan 8.270 nan 0.000 0.444 366 E N 1.349 121.636 120.200 0.146 0.000 2.210 366 E HA 0.430 4.781 4.350 0.001 0.000 0.266 366 E C -0.942 175.807 176.600 0.248 0.000 0.883 366 E CA -0.827 55.720 56.400 0.245 0.000 0.761 366 E CB 2.889 32.754 29.700 0.275 0.000 1.156 366 E HN 0.104 nan 8.360 nan 0.000 0.412 367 V N 2.803 122.847 119.914 0.217 0.000 2.350 367 V HA 0.119 4.240 4.120 0.001 0.000 0.285 367 V C -0.608 175.366 176.094 -0.199 0.000 1.014 367 V CA -0.799 61.535 62.300 0.057 0.000 0.831 367 V CB 1.489 33.343 31.823 0.053 0.000 1.000 367 V HN 0.645 nan 8.190 nan 0.000 0.433 368 D N 5.394 125.590 120.400 -0.340 0.000 2.374 368 D HA 0.169 4.809 4.640 0.001 0.000 0.240 368 D C 0.182 176.266 176.300 -0.360 0.000 1.229 368 D CA -0.375 53.194 54.000 -0.718 0.000 0.895 368 D CB 0.505 41.006 40.800 -0.498 0.000 1.046 368 D HN 0.275 nan 8.370 nan 0.000 0.498 369 I N 4.432 124.804 120.570 -0.330 0.000 2.213 369 I HA 0.243 4.413 4.170 0.001 0.000 0.295 369 I C 1.411 177.444 176.117 -0.139 0.000 1.172 369 I CA -0.278 60.930 61.300 -0.154 0.000 1.443 369 I CB -0.462 37.494 38.000 -0.073 0.000 1.491 369 I HN 0.285 nan 8.210 nan 0.000 0.652 370 G N 4.651 113.375 108.800 -0.126 0.000 2.504 370 G HA2 0.475 4.436 3.960 0.001 0.000 0.257 370 G HA3 0.475 4.436 3.960 0.001 0.000 0.257 370 G C 0.061 174.933 174.900 -0.047 0.000 1.451 370 G CA -0.612 44.439 45.100 -0.083 0.000 1.059 370 G HN 0.338 nan 8.290 nan 0.000 0.550 371 I N 2.468 123.018 120.570 -0.034 0.000 2.496 371 I HA 0.212 4.382 4.170 0.001 0.000 0.285 371 I C -1.459 174.646 176.117 -0.019 0.000 1.080 371 I CA -1.247 60.034 61.300 -0.032 0.000 1.404 371 I CB 1.157 39.130 38.000 -0.045 0.000 1.403 371 I HN 0.221 nan 8.210 nan 0.000 0.539 372 P HA 0.081 nan 4.420 nan 0.000 0.269 372 P C -0.868 176.437 177.300 0.009 0.000 1.209 372 P CA -0.392 62.709 63.100 0.001 0.000 0.776 372 P CB 0.470 32.174 31.700 0.007 0.000 0.876 373 D N 1.182 121.593 120.400 0.017 0.000 2.414 373 D HA 0.064 4.704 4.640 0.001 0.000 0.251 373 D C 1.248 177.566 176.300 0.030 0.000 1.252 373 D CA -0.358 53.661 54.000 0.031 0.000 0.999 373 D CB 0.137 40.953 40.800 0.027 0.000 1.093 373 D HN 0.302 nan 8.370 nan 0.000 0.515 374 A N 0.097 122.939 122.820 0.037 0.000 1.917 374 A HA -0.192 4.128 4.320 0.001 0.000 0.219 374 A C 2.168 179.757 177.584 0.009 0.000 1.182 374 A CA 2.573 54.624 52.037 0.024 0.000 0.633 374 A CB -1.284 17.730 19.000 0.023 0.000 0.819 374 A HN 0.713 nan 8.150 nan 0.000 0.448 375 T N -0.354 114.206 114.554 0.009 0.000 2.737 375 T HA -0.017 4.334 4.350 0.001 0.000 0.265 375 T C 2.016 176.719 174.700 0.006 0.000 1.038 375 T CA 1.357 63.459 62.100 0.004 0.000 1.144 375 T CB -0.776 68.095 68.868 0.005 0.000 0.866 375 T HN 0.580 nan 8.240 nan 0.000 0.434 376 G N 1.601 110.407 108.800 0.009 0.000 2.440 376 G HA2 -0.240 3.721 3.960 0.001 0.000 0.218 376 G HA3 -0.240 3.721 3.960 0.001 0.000 0.218 376 G C 1.734 176.642 174.900 0.014 0.000 1.154 376 G CA 0.434 45.541 45.100 0.012 0.000 0.767 376 G HN 0.419 nan 8.290 nan 0.000 0.552 377 R N -0.579 119.928 120.500 0.010 0.000 2.096 377 R HA -0.004 4.336 4.340 0.001 0.000 0.235 377 R C 2.487 178.787 176.300 0.000 0.000 1.127 377 R CA 1.115 57.219 56.100 0.006 0.000 0.968 377 R CB -0.505 29.793 30.300 -0.003 0.000 0.861 377 R HN 0.392 nan 8.270 nan 0.000 0.440 378 L N 1.640 122.859 121.223 -0.007 0.000 2.046 378 L HA -0.168 4.173 4.340 0.001 0.000 0.208 378 L C 1.883 178.752 176.870 -0.001 0.000 1.077 378 L CA 1.831 56.662 54.840 -0.015 0.000 0.747 378 L CB -0.294 41.753 42.059 -0.020 0.000 0.896 378 L HN 0.123 nan 8.230 nan 0.000 0.432 379 E N -0.249 119.957 120.200 0.010 0.000 2.058 379 E HA -0.258 4.092 4.350 0.001 0.000 0.194 379 E C 2.248 178.873 176.600 0.042 0.000 0.997 379 E CA 1.955 58.368 56.400 0.021 0.000 0.801 379 E CB -0.299 29.414 29.700 0.021 0.000 0.746 379 E HN 0.595 nan 8.360 nan 0.000 0.450 380 I N 0.969 121.571 120.570 0.054 0.000 2.226 380 I HA -0.297 3.873 4.170 0.001 0.000 0.245 380 I C 2.371 178.570 176.117 0.136 0.000 1.100 380 I CA 1.014 62.375 61.300 0.102 0.000 1.374 380 I CB -0.213 37.833 38.000 0.076 0.000 1.057 380 I HN 0.101 nan 8.210 nan 0.000 0.413 381 L N -0.137 121.130 121.223 0.073 0.000 2.083 381 L HA -0.231 4.109 4.340 0.001 0.000 0.209 381 L C 2.593 179.504 176.870 0.069 0.000 1.083 381 L CA 1.376 56.257 54.840 0.069 0.000 0.752 381 L CB -0.511 41.542 42.059 -0.010 0.000 0.899 381 L HN 0.298 nan 8.230 nan 0.000 0.433 382 Q N -0.247 119.576 119.800 0.039 0.000 2.123 382 Q HA -0.137 4.203 4.340 0.001 0.000 0.199 382 Q C 2.343 178.363 176.000 0.034 0.000 0.966 382 Q CA 1.261 57.079 55.803 0.024 0.000 0.845 382 Q CB -0.008 28.735 28.738 0.008 0.000 0.907 382 Q HN 0.503 nan 8.270 nan 0.000 0.439 383 I N -0.255 120.342 120.570 0.046 0.000 2.179 383 I HA -0.285 3.885 4.170 0.001 0.000 0.242 383 I C 1.899 177.985 176.117 -0.052 0.000 1.088 383 I CA 1.276 62.581 61.300 0.007 0.000 1.357 383 I CB -0.121 37.891 38.000 0.020 0.000 1.051 383 I HN 0.235 nan 8.210 nan 0.000 0.409 384 H N -0.081 119.005 119.070 0.027 0.000 2.423 384 H HA -0.108 4.449 4.556 0.001 0.000 0.297 384 H C 2.096 177.454 175.328 0.050 0.000 1.075 384 H CA 1.917 57.989 56.048 0.039 0.000 1.342 384 H CB -0.036 29.759 29.762 0.055 0.000 1.395 384 H HN 0.365 nan 8.280 nan 0.000 0.530 385 T N -1.589 113.040 114.554 0.126 0.000 3.122 385 T HA 0.007 4.358 4.350 0.001 0.000 0.250 385 T C 1.537 176.269 174.700 0.053 0.000 1.067 385 T CA -0.029 62.138 62.100 0.112 0.000 0.966 385 T CB -0.028 68.919 68.868 0.133 0.000 1.002 385 T HN 0.478 nan 8.240 nan 0.000 0.542 386 K N 1.658 122.069 120.400 0.018 0.000 2.360 386 K HA -0.036 4.285 4.320 0.001 0.000 0.201 386 K C 1.121 177.721 176.600 0.001 0.000 1.046 386 K CA 1.155 57.443 56.287 0.002 0.000 0.945 386 K CB -0.195 32.295 32.500 -0.017 0.000 0.750 386 K HN 0.264 nan 8.250 nan 0.000 0.464 387 N N -0.025 118.677 118.700 0.004 0.000 2.171 387 N HA 0.151 4.891 4.740 0.001 0.000 0.212 387 N C -0.294 175.228 175.510 0.020 0.000 1.184 387 N CA 0.025 53.077 53.050 0.004 0.000 0.888 387 N CB 0.519 38.999 38.487 -0.011 0.000 1.038 387 N HN 0.194 nan 8.380 nan 0.000 0.517 388 M N 1.165 120.790 119.600 0.041 0.000 2.249 388 M HA 0.203 4.683 4.480 0.001 0.000 0.351 388 M C 0.041 176.375 176.300 0.056 0.000 1.180 388 M CA -0.298 55.037 55.300 0.060 0.000 1.127 388 M CB 1.035 33.696 32.600 0.102 0.000 1.546 388 M HN -0.379 nan 8.290 nan 0.000 0.461 389 K N 4.782 125.212 120.400 0.050 0.000 2.310 389 K HA 0.450 4.770 4.320 0.001 0.000 0.290 389 K C -0.846 175.795 176.600 0.069 0.000 1.077 389 K CA 0.106 56.421 56.287 0.046 0.000 0.922 389 K CB -0.060 32.458 32.500 0.030 0.000 1.057 389 K HN 0.639 nan 8.250 nan 0.000 0.479 390 L N 1.622 122.887 121.223 0.071 0.000 2.334 390 L HA 0.528 4.869 4.340 0.001 0.000 0.273 390 L C 0.508 177.416 176.870 0.063 0.000 1.013 390 L CA -1.101 53.794 54.840 0.092 0.000 0.816 390 L CB 1.793 43.905 42.059 0.089 0.000 1.278 390 L HN 0.560 nan 8.230 nan 0.000 0.431 391 A N 0.892 123.755 122.820 0.071 0.000 2.272 391 A HA 0.197 4.517 4.320 0.001 0.000 0.275 391 A C 0.508 178.111 177.584 0.031 0.000 1.096 391 A CA -0.287 51.778 52.037 0.048 0.000 0.822 391 A CB 0.282 19.314 19.000 0.053 0.000 1.088 391 A HN 0.864 nan 8.150 nan 0.000 0.495 392 D N 0.174 120.587 120.400 0.021 0.000 2.133 392 D HA -0.178 4.463 4.640 0.001 0.000 0.195 392 D C 1.317 177.621 176.300 0.007 0.000 0.997 392 D CA 2.187 56.194 54.000 0.011 0.000 0.840 392 D CB -0.043 40.763 40.800 0.009 0.000 0.947 392 D HN 0.730 nan 8.370 nan 0.000 0.452 393 D N 0.074 120.484 120.400 0.016 0.000 2.348 393 D HA -0.082 4.558 4.640 0.001 0.000 0.216 393 D C 0.321 176.624 176.300 0.006 0.000 0.970 393 D CA 0.051 54.059 54.000 0.014 0.000 0.889 393 D CB -0.419 40.396 40.800 0.025 0.000 0.912 393 D HN 0.018 nan 8.370 nan 0.000 0.524 394 V N 1.545 121.461 119.914 0.002 0.000 2.450 394 V HA 0.040 4.160 4.120 0.001 0.000 0.281 394 V C -0.010 176.024 176.094 -0.100 0.000 1.019 394 V CA 0.091 62.360 62.300 -0.053 0.000 1.062 394 V CB 0.527 32.319 31.823 -0.051 0.000 0.979 394 V HN 0.084 nan 8.190 nan 0.000 0.477 395 D N 4.552 124.875 120.400 -0.129 0.000 2.441 395 D HA 0.345 4.985 4.640 0.001 0.000 0.231 395 D C 0.724 176.912 176.300 -0.186 0.000 1.073 395 D CA -0.345 53.582 54.000 -0.121 0.000 0.850 395 D CB 1.418 42.174 40.800 -0.074 0.000 1.062 395 D HN 0.361 nan 8.370 nan 0.000 0.524 396 L N 2.506 123.614 121.223 -0.192 0.000 2.156 396 L HA -0.008 4.333 4.340 0.001 0.000 0.208 396 L C 2.163 178.950 176.870 -0.139 0.000 1.095 396 L CA 0.616 55.327 54.840 -0.215 0.000 0.770 396 L CB -0.082 41.872 42.059 -0.176 0.000 0.914 396 L HN 0.465 nan 8.230 nan 0.000 0.439 397 E N 0.003 120.146 120.200 -0.096 0.000 2.097 397 E HA -0.315 4.035 4.350 0.001 0.000 0.196 397 E C 2.145 178.706 176.600 -0.065 0.000 1.000 397 E CA 1.580 57.940 56.400 -0.066 0.000 0.804 397 E CB 0.013 29.684 29.700 -0.048 0.000 0.740 397 E HN 0.353 nan 8.360 nan 0.000 0.454 398 Q N 0.572 120.328 119.800 -0.074 0.000 2.050 398 Q HA -0.120 4.220 4.340 0.001 0.000 0.202 398 Q C 2.095 178.052 176.000 -0.072 0.000 0.980 398 Q CA 1.309 57.075 55.803 -0.062 0.000 0.840 398 Q CB -0.190 28.515 28.738 -0.055 0.000 0.898 398 Q HN 0.103 nan 8.270 nan 0.000 0.424 399 V N 0.731 120.576 119.914 -0.113 0.000 2.407 399 V HA -0.237 3.883 4.120 0.001 0.000 0.248 399 V C 2.266 178.297 176.094 -0.106 0.000 1.055 399 V CA 1.650 63.878 62.300 -0.119 0.000 1.049 399 V CB -1.283 30.414 31.823 -0.210 0.000 0.662 399 V HN 0.495 nan 8.190 nan 0.000 0.455 400 A N 0.411 123.176 122.820 -0.092 0.000 1.933 400 A HA -0.213 4.108 4.320 0.001 0.000 0.218 400 A C 2.094 179.650 177.584 -0.046 0.000 1.175 400 A CA 1.966 53.963 52.037 -0.066 0.000 0.628 400 A CB -0.562 18.409 19.000 -0.048 0.000 0.814 400 A HN 0.589 nan 8.150 nan 0.000 0.444 401 N N -0.160 118.516 118.700 -0.039 0.000 2.216 401 N HA -0.088 4.652 4.740 0.001 0.000 0.183 401 N C 1.406 176.908 175.510 -0.014 0.000 1.017 401 N CA 1.253 54.293 53.050 -0.018 0.000 0.861 401 N CB -0.299 38.178 38.487 -0.018 0.000 0.986 401 N HN 0.652 nan 8.380 nan 0.000 0.428 402 E N -0.052 120.126 120.200 -0.037 0.000 2.482 402 E HA -0.017 4.333 4.350 0.001 0.000 0.196 402 E C 0.121 176.678 176.600 -0.071 0.000 1.047 402 E CA 0.492 56.871 56.400 -0.036 0.000 0.869 402 E CB 0.105 29.784 29.700 -0.035 0.000 0.836 402 E HN 0.329 nan 8.360 nan 0.000 0.520 403 T N -1.324 113.149 114.554 -0.135 0.000 3.273 403 T HA 0.109 4.459 4.350 0.001 0.000 0.242 403 T C 0.636 175.339 174.700 0.005 0.000 1.228 403 T CA -0.503 61.402 62.100 -0.325 0.000 1.173 403 T CB 0.183 68.716 68.868 -0.558 0.000 1.134 403 T HN 0.104 nan 8.240 nan 0.000 0.635 404 H N 3.353 122.456 119.070 0.055 0.000 2.280 404 H HA -0.052 4.504 4.556 0.000 0.000 0.294 404 H C 2.263 177.677 175.328 0.143 0.000 1.064 404 H CA 2.431 58.531 56.048 0.086 0.000 1.208 404 H CB -0.792 29.003 29.762 0.056 0.000 1.365 404 H HN 0.530 nan 8.280 nan 0.000 0.511 405 G N -0.996 107.656 108.800 -0.246 0.000 2.776 405 G HA2 -0.100 3.860 3.960 0.001 0.000 0.209 405 G HA3 -0.100 3.860 3.960 0.001 0.000 0.209 405 G C -0.246 174.547 174.900 -0.178 0.000 1.145 405 G CA 0.069 44.949 45.100 -0.366 0.000 0.791 405 G HN 0.466 nan 8.290 nan 0.000 0.530 406 H N -0.495 118.482 119.070 -0.155 0.000 2.683 406 H HA 0.390 4.947 4.556 0.001 0.000 0.339 406 H C 0.721 175.999 175.328 -0.084 0.000 1.081 406 H CA -0.199 55.794 56.048 -0.093 0.000 1.432 406 H CB 1.490 31.217 29.762 -0.058 0.000 1.462 406 H HN 0.095 nan 8.280 nan 0.000 0.557 407 V N 0.536 120.452 119.914 0.004 0.000 3.345 407 V HA 0.588 4.708 4.120 0.001 0.000 0.308 407 V C 1.524 177.621 176.094 0.006 0.000 1.168 407 V CA -0.139 62.157 62.300 -0.006 0.000 1.024 407 V CB 1.132 32.936 31.823 -0.032 0.000 1.211 407 V HN 0.789 nan 8.190 nan 0.000 0.461 408 G N -0.419 108.379 108.800 -0.002 0.000 2.446 408 G HA2 -0.176 3.784 3.960 0.001 0.000 0.217 408 G HA3 -0.176 3.784 3.960 0.001 0.000 0.217 408 G C 1.489 176.355 174.900 -0.055 0.000 1.168 408 G CA 1.448 46.541 45.100 -0.011 0.000 0.771 408 G HN 1.453 nan 8.290 nan 0.000 0.551 409 A N 0.911 123.709 122.820 -0.037 0.000 1.933 409 A HA -0.073 4.247 4.320 0.001 0.000 0.218 409 A C 2.091 179.641 177.584 -0.057 0.000 1.175 409 A CA 2.097 54.105 52.037 -0.048 0.000 0.628 409 A CB -0.381 18.602 19.000 -0.028 0.000 0.814 409 A HN 0.303 nan 8.150 nan 0.000 0.444 410 D N -0.133 120.243 120.400 -0.040 0.000 2.178 410 D HA -0.069 4.571 4.640 0.001 0.000 0.202 410 D C 1.922 178.258 176.300 0.060 0.000 0.974 410 D CA 0.947 54.939 54.000 -0.014 0.000 0.841 410 D CB -0.185 40.568 40.800 -0.078 0.000 0.953 410 D HN 0.473 nan 8.370 nan 0.000 0.478 411 L N 0.612 121.851 121.223 0.026 0.000 2.131 411 L HA -0.024 4.316 4.340 0.001 0.000 0.206 411 L C 2.559 179.353 176.870 -0.127 0.000 1.087 411 L CA 0.739 55.577 54.840 -0.005 0.000 0.767 411 L CB -0.314 41.732 42.059 -0.022 0.000 0.917 411 L HN -0.062 nan 8.230 nan 0.000 0.441 412 A N 0.238 122.872 122.820 -0.309 0.000 1.933 412 A HA -0.174 4.146 4.320 0.001 0.000 0.218 412 A C 2.503 180.003 177.584 -0.140 0.000 1.175 412 A CA 1.784 53.540 52.037 -0.469 0.000 0.628 412 A CB -0.617 18.079 19.000 -0.505 0.000 0.814 412 A HN 0.392 nan 8.150 nan 0.000 0.444 413 A N -0.700 122.076 122.820 -0.075 0.000 1.929 413 A HA 0.054 4.374 4.320 0.001 0.000 0.216 413 A C 2.116 179.694 177.584 -0.010 0.000 1.176 413 A CA 1.498 53.519 52.037 -0.026 0.000 0.628 413 A CB -0.543 18.445 19.000 -0.021 0.000 0.816 413 A HN 0.634 nan 8.150 nan 0.000 0.444 414 L N -0.308 120.921 121.223 0.010 0.000 2.046 414 L HA -0.181 4.159 4.340 0.001 0.000 0.208 414 L C 2.398 179.260 176.870 -0.014 0.000 1.077 414 L CA 2.237 57.093 54.840 0.026 0.000 0.747 414 L CB -0.571 41.540 42.059 0.087 0.000 0.896 414 L HN 0.451 nan 8.230 nan 0.000 0.432 415 C N -1.688 117.629 119.300 0.030 0.000 2.435 415 C HA -0.086 4.374 4.460 0.001 0.000 0.279 415 C C 3.124 178.087 174.990 -0.045 0.000 1.321 415 C CA 1.027 60.060 59.018 0.026 0.000 1.752 415 C CB -0.991 26.844 27.740 0.157 0.000 1.959 415 C HN 0.677 nan 8.230 nan 0.000 0.500 416 S N 0.104 115.797 115.700 -0.011 0.000 2.368 416 S HA -0.129 4.342 4.470 0.001 0.000 0.224 416 S C 1.988 176.576 174.600 -0.020 0.000 1.029 416 S CA 1.250 59.447 58.200 -0.004 0.000 0.988 416 S CB -0.242 62.965 63.200 0.012 0.000 0.838 416 S HN 0.564 nan 8.310 nan 0.000 0.462 417 E N 0.867 121.058 120.200 -0.016 0.000 2.152 417 E HA 0.025 4.375 4.350 0.001 0.000 0.192 417 E C 2.213 178.828 176.600 0.025 0.000 0.983 417 E CA 0.846 57.271 56.400 0.041 0.000 0.818 417 E CB -0.362 29.375 29.700 0.062 0.000 0.758 417 E HN 0.536 nan 8.360 nan 0.000 0.467 418 A N 1.346 124.068 122.820 -0.163 0.000 1.902 418 A HA -0.106 4.214 4.320 0.001 0.000 0.217 418 A C 2.384 179.827 177.584 -0.236 0.000 1.181 418 A CA 1.917 53.737 52.037 -0.362 0.000 0.623 418 A CB -0.437 17.883 19.000 -1.133 0.000 0.818 418 A HN 0.263 nan 8.150 nan 0.000 0.443 419 A N -0.677 122.042 122.820 -0.169 0.000 1.930 419 A HA 0.036 4.357 4.320 0.001 0.000 0.217 419 A C 2.175 179.724 177.584 -0.058 0.000 1.175 419 A CA 1.335 53.318 52.037 -0.089 0.000 0.627 419 A CB -0.539 18.433 19.000 -0.047 0.000 0.815 419 A HN 0.486 nan 8.150 nan 0.000 0.443 420 L N -0.966 120.234 121.223 -0.038 0.000 2.083 420 L HA -0.228 4.112 4.340 0.001 0.000 0.209 420 L C 2.784 179.610 176.870 -0.075 0.000 1.083 420 L CA 1.860 56.681 54.840 -0.031 0.000 0.752 420 L CB -0.190 41.876 42.059 0.011 0.000 0.899 420 L HN 0.498 nan 8.230 nan 0.000 0.433 421 Q N -0.309 119.440 119.800 -0.084 0.000 2.084 421 Q HA -0.194 4.147 4.340 0.001 0.000 0.202 421 Q C 2.095 178.004 176.000 -0.151 0.000 0.978 421 Q CA 2.082 57.773 55.803 -0.187 0.000 0.844 421 Q CB -0.244 28.410 28.738 -0.139 0.000 0.898 421 Q HN 0.533 nan 8.270 nan 0.000 0.426 422 A N -0.147 122.615 122.820 -0.097 0.000 1.930 422 A HA -0.116 4.204 4.320 0.001 0.000 0.217 422 A C 2.095 179.640 177.584 -0.066 0.000 1.175 422 A CA 1.287 53.282 52.037 -0.070 0.000 0.627 422 A CB -0.647 18.326 19.000 -0.045 0.000 0.815 422 A HN 0.471 nan 8.150 nan 0.000 0.443 423 I N -1.045 119.485 120.570 -0.066 0.000 2.226 423 I HA -0.258 3.912 4.170 0.001 0.000 0.245 423 I C 2.764 178.837 176.117 -0.074 0.000 1.100 423 I CA 1.323 62.588 61.300 -0.058 0.000 1.374 423 I CB -0.261 37.711 38.000 -0.047 0.000 1.057 423 I HN 0.273 nan 8.210 nan 0.000 0.413 424 R N 0.707 121.144 120.500 -0.106 0.000 2.096 424 R HA -0.167 4.174 4.340 0.001 0.000 0.235 424 R C 2.200 178.428 176.300 -0.120 0.000 1.127 424 R CA 1.304 57.326 56.100 -0.129 0.000 0.968 424 R CB -0.135 30.044 30.300 -0.202 0.000 0.861 424 R HN 0.302 nan 8.270 nan 0.000 0.440 425 K N -0.120 120.210 120.400 -0.117 0.000 2.283 425 K HA -0.133 4.187 4.320 0.001 0.000 0.202 425 K C 1.494 178.055 176.600 -0.064 0.000 1.048 425 K CA 0.955 57.187 56.287 -0.093 0.000 0.948 425 K CB 0.117 32.568 32.500 -0.082 0.000 0.742 425 K HN -0.137 nan 8.250 nan 0.000 0.458 426 K N -0.094 120.271 120.400 -0.058 0.000 2.372 426 K HA 0.170 4.490 4.320 0.001 0.000 0.200 426 K C 1.362 177.937 176.600 -0.042 0.000 1.022 426 K CA 0.008 56.270 56.287 -0.043 0.000 1.125 426 K CB 0.313 32.791 32.500 -0.036 0.000 0.855 426 K HN -0.079 nan 8.250 nan 0.000 0.524 427 M N 1.595 121.165 119.600 -0.051 0.000 2.108 427 M HA -0.190 4.290 4.480 0.001 0.000 0.261 427 M C 0.996 177.273 176.300 -0.037 0.000 1.066 427 M CA 1.773 57.045 55.300 -0.047 0.000 1.107 427 M CB -0.738 31.828 32.600 -0.057 0.000 1.356 427 M HN 0.314 nan 8.290 nan 0.000 0.406 428 D N -0.714 119.664 120.400 -0.036 0.000 2.264 428 D HA -0.143 4.497 4.640 0.001 0.000 0.208 428 D C 1.534 177.819 176.300 -0.024 0.000 0.966 428 D CA 0.883 54.866 54.000 -0.029 0.000 0.864 428 D CB -0.391 40.392 40.800 -0.028 0.000 0.933 428 D HN 0.335 nan 8.370 nan 0.000 0.499 429 L N 0.137 121.346 121.223 -0.024 0.000 2.591 429 L HA 0.265 4.605 4.340 0.001 0.000 0.228 429 L C 0.714 177.572 176.870 -0.020 0.000 1.133 429 L CA 0.350 55.178 54.840 -0.020 0.000 0.880 429 L CB -0.104 41.943 42.059 -0.019 0.000 1.033 429 L HN -0.047 nan 8.230 nan 0.000 0.450 430 I N -1.254 119.302 120.570 -0.022 0.000 2.569 430 I HA 0.391 4.562 4.170 0.001 0.000 0.296 430 I C -0.961 175.143 176.117 -0.021 0.000 1.028 430 I CA -0.552 60.735 61.300 -0.021 0.000 1.082 430 I CB 2.332 40.318 38.000 -0.025 0.000 1.264 430 I HN -0.169 nan 8.210 nan 0.000 0.429 431 D N 2.838 123.227 120.400 -0.018 0.000 2.671 431 D HA 0.326 4.967 4.640 0.001 0.000 0.232 431 D C 0.131 176.422 176.300 -0.016 0.000 1.114 431 D CA -0.517 53.473 54.000 -0.017 0.000 0.858 431 D CB 2.437 43.228 40.800 -0.015 0.000 1.544 431 D HN 0.281 nan 8.370 nan 0.000 0.471 432 L N 2.032 123.246 121.223 -0.015 0.000 2.456 432 L HA 0.055 4.395 4.340 0.001 0.000 0.224 432 L C 1.437 178.300 176.870 -0.012 0.000 1.148 432 L CA 1.536 56.367 54.840 -0.014 0.000 0.825 432 L CB -0.115 41.936 42.059 -0.014 0.000 0.937 432 L HN 0.420 nan 8.230 nan 0.000 0.450 433 E N -0.399 119.795 120.200 -0.011 0.000 2.127 433 E HA 0.017 4.367 4.350 0.001 0.000 0.191 433 E C 0.183 176.778 176.600 -0.010 0.000 0.964 433 E CA 0.212 56.606 56.400 -0.010 0.000 0.832 433 E CB -0.344 29.350 29.700 -0.010 0.000 0.790 433 E HN 0.605 nan 8.360 nan 0.000 0.465 434 D N 1.734 122.127 120.400 -0.010 0.000 2.423 434 D HA -0.071 4.570 4.640 0.001 0.000 0.238 434 D C 0.868 177.161 176.300 -0.010 0.000 1.142 434 D CA 0.037 54.031 54.000 -0.010 0.000 0.884 434 D CB 1.620 42.413 40.800 -0.011 0.000 1.199 434 D HN 0.006 nan 8.370 nan 0.000 0.438 435 E N 0.726 120.921 120.200 -0.010 0.000 2.051 435 E HA -0.130 4.220 4.350 0.001 0.000 0.192 435 E C 0.204 176.797 176.600 -0.011 0.000 0.991 435 E CA 1.037 57.431 56.400 -0.010 0.000 0.799 435 E CB 0.262 29.957 29.700 -0.009 0.000 0.748 435 E HN 0.701 nan 8.360 nan 0.000 0.449 436 T N -0.856 113.691 114.554 -0.011 0.000 2.893 436 T HA 0.504 4.854 4.350 0.001 0.000 0.291 436 T C -0.050 174.643 174.700 -0.012 0.000 1.028 436 T CA -1.008 61.085 62.100 -0.012 0.000 0.995 436 T CB 1.761 70.622 68.868 -0.012 0.000 1.051 436 T HN -0.088 nan 8.240 nan 0.000 0.470 437 I N 2.150 122.713 120.570 -0.013 0.000 2.472 437 I HA 0.236 4.406 4.170 0.001 0.000 0.290 437 I C 0.952 177.062 176.117 -0.012 0.000 1.016 437 I CA -0.698 60.594 61.300 -0.013 0.000 1.348 437 I CB 0.836 38.828 38.000 -0.014 0.000 1.417 437 I HN 0.869 nan 8.210 nan 0.000 0.521 438 D N 4.128 124.521 120.400 -0.012 0.000 2.488 438 D HA 0.018 4.658 4.640 0.001 0.000 0.238 438 D C 0.881 177.175 176.300 -0.011 0.000 1.138 438 D CA 0.152 54.145 54.000 -0.011 0.000 0.873 438 D CB 1.455 42.248 40.800 -0.011 0.000 1.183 438 D HN 0.673 nan 8.370 nan 0.000 0.458 439 A N 4.168 126.982 122.820 -0.010 0.000 1.908 439 A HA -0.244 4.077 4.320 0.001 0.000 0.218 439 A C 1.921 179.500 177.584 -0.009 0.000 1.181 439 A CA 1.894 53.925 52.037 -0.010 0.000 0.627 439 A CB -0.392 18.603 19.000 -0.009 0.000 0.818 439 A HN 0.718 nan 8.150 nan 0.000 0.445 440 E N 0.252 120.447 120.200 -0.009 0.000 2.077 440 E HA -0.132 4.218 4.350 0.001 0.000 0.193 440 E C 1.717 178.312 176.600 -0.009 0.000 0.989 440 E CA 1.848 58.243 56.400 -0.008 0.000 0.800 440 E CB -0.607 29.088 29.700 -0.008 0.000 0.746 440 E HN 0.252 nan 8.360 nan 0.000 0.452 441 V N 0.479 120.387 119.914 -0.010 0.000 2.407 441 V HA -0.256 3.865 4.120 0.001 0.000 0.248 441 V C 2.500 178.587 176.094 -0.011 0.000 1.055 441 V CA 2.010 64.303 62.300 -0.012 0.000 1.049 441 V CB -0.546 31.269 31.823 -0.014 0.000 0.662 441 V HN 0.302 nan 8.190 nan 0.000 0.455 442 M N 0.660 120.253 119.600 -0.010 0.000 2.159 442 M HA -0.115 4.365 4.480 0.001 0.000 0.263 442 M C 1.882 178.178 176.300 -0.007 0.000 1.063 442 M CA 1.721 57.016 55.300 -0.009 0.000 1.110 442 M CB -0.534 32.060 32.600 -0.010 0.000 1.374 442 M HN 0.386 nan 8.290 nan 0.000 0.411 443 N N -0.851 117.845 118.700 -0.006 0.000 2.207 443 N HA -0.057 4.683 4.740 0.001 0.000 0.182 443 N C 1.732 177.241 175.510 -0.002 0.000 1.020 443 N CA 1.620 54.668 53.050 -0.004 0.000 0.858 443 N CB -0.893 37.592 38.487 -0.004 0.000 0.991 443 N HN 0.470 nan 8.380 nan 0.000 0.427 444 S N 0.750 116.448 115.700 -0.003 0.000 2.469 444 S HA -0.024 4.447 4.470 0.001 0.000 0.238 444 S C 0.898 175.497 174.600 -0.000 0.000 0.998 444 S CA 0.046 58.245 58.200 -0.002 0.000 0.957 444 S CB -0.698 62.499 63.200 -0.004 0.000 0.764 444 S HN 0.214 nan 8.310 nan 0.000 0.514 445 L N 2.454 123.676 121.223 -0.002 0.000 2.597 445 L HA 0.351 4.691 4.340 0.001 0.000 0.271 445 L C 0.395 177.270 176.870 0.008 0.000 1.157 445 L CA -0.083 54.757 54.840 -0.001 0.000 0.928 445 L CB -0.102 41.954 42.059 -0.004 0.000 1.216 445 L HN 0.433 nan 8.230 nan 0.000 0.481 446 A N 4.030 126.857 122.820 0.013 0.000 2.449 446 A HA 0.700 5.021 4.320 0.001 0.000 0.302 446 A C -0.816 176.790 177.584 0.037 0.000 1.048 446 A CA -0.544 51.511 52.037 0.029 0.000 0.708 446 A CB 1.746 20.764 19.000 0.031 0.000 1.274 446 A HN 0.284 nan 8.150 nan 0.000 0.410 447 V N 2.529 122.482 119.914 0.065 0.000 2.406 447 V HA 0.502 4.623 4.120 0.001 0.000 0.272 447 V C 0.951 177.138 176.094 0.155 0.000 1.043 447 V CA 0.218 62.568 62.300 0.083 0.000 0.915 447 V CB 0.791 32.673 31.823 0.098 0.000 0.988 447 V HN 1.079 nan 8.190 nan 0.000 0.466 448 T N 2.152 116.785 114.554 0.131 0.000 2.927 448 T HA 0.421 4.771 4.350 0.001 0.000 0.281 448 T C 0.890 175.743 174.700 0.256 0.000 0.998 448 T CA -0.622 61.566 62.100 0.148 0.000 1.019 448 T CB 1.363 70.281 68.868 0.083 0.000 1.061 448 T HN 0.405 nan 8.240 nan 0.000 0.518 449 M N 0.868 120.592 119.600 0.207 0.000 2.159 449 M HA -0.015 4.466 4.480 0.001 0.000 0.263 449 M C 1.702 178.137 176.300 0.225 0.000 1.063 449 M CA 1.852 57.289 55.300 0.228 0.000 1.110 449 M CB -1.196 31.466 32.600 0.103 0.000 1.374 449 M HN 0.886 nan 8.290 nan 0.000 0.411 450 D N 0.114 120.606 120.400 0.152 0.000 2.133 450 D HA -0.220 4.420 4.640 0.001 0.000 0.195 450 D C 1.415 177.811 176.300 0.160 0.000 0.997 450 D CA 1.827 55.906 54.000 0.131 0.000 0.840 450 D CB -0.252 40.598 40.800 0.084 0.000 0.947 450 D HN 0.458 nan 8.370 nan 0.000 0.452 451 D N -0.824 119.653 120.400 0.129 0.000 2.104 451 D HA -0.178 4.463 4.640 0.001 0.000 0.194 451 D C 2.129 178.459 176.300 0.050 0.000 0.994 451 D CA 0.724 54.765 54.000 0.069 0.000 0.830 451 D CB -0.577 40.197 40.800 -0.043 0.000 0.959 451 D HN 0.331 nan 8.370 nan 0.000 0.452 452 F N 1.205 121.216 119.950 0.102 0.000 2.126 452 F HA -0.095 4.432 4.527 0.000 0.000 0.299 452 F C 2.669 178.506 175.800 0.063 0.000 1.096 452 F CA 1.043 59.086 58.000 0.072 0.000 1.255 452 F CB -0.109 38.912 39.000 0.035 0.000 0.997 452 F HN -0.177 nan 8.300 nan 0.000 0.479 453 R N -1.421 119.229 120.500 0.249 0.000 2.115 453 R HA -0.222 4.118 4.340 0.001 0.000 0.230 453 R C 2.054 178.429 176.300 0.126 0.000 1.111 453 R CA 1.555 57.748 56.100 0.155 0.000 0.976 453 R CB -0.679 29.700 30.300 0.132 0.000 0.870 453 R HN 0.411 nan 8.270 nan 0.000 0.445 454 W N 0.936 122.248 121.300 0.021 0.000 2.381 454 W HA -0.094 4.566 4.660 0.001 0.000 0.301 454 W C 2.151 178.664 176.519 -0.011 0.000 1.205 454 W CA 1.599 58.943 57.345 -0.002 0.000 1.285 454 W CB -0.264 29.185 29.460 -0.019 0.000 1.133 454 W HN 0.064 nan 8.180 nan 0.000 0.521 455 A N 0.147 122.976 122.820 0.014 0.000 1.940 455 A HA -0.201 4.119 4.320 0.001 0.000 0.219 455 A C 2.027 179.510 177.584 -0.168 0.000 1.176 455 A CA 1.850 53.807 52.037 -0.133 0.000 0.631 455 A CB -1.045 17.916 19.000 -0.065 0.000 0.814 455 A HN 0.386 nan 8.150 nan 0.000 0.446 456 L N 0.341 121.518 121.223 -0.076 0.000 2.093 456 L HA -0.160 4.181 4.340 0.001 0.000 0.208 456 L C 2.940 179.745 176.870 -0.109 0.000 1.085 456 L CA 1.528 56.336 54.840 -0.054 0.000 0.755 456 L CB -0.287 41.770 42.059 -0.002 0.000 0.904 456 L HN 0.600 nan 8.230 nan 0.000 0.435 457 S N -1.496 114.086 115.700 -0.197 0.000 2.474 457 S HA -0.132 4.338 4.470 0.001 0.000 0.235 457 S C 1.739 176.170 174.600 -0.281 0.000 0.997 457 S CA 0.529 58.599 58.200 -0.217 0.000 0.949 457 S CB -0.100 62.956 63.200 -0.241 0.000 0.766 457 S HN 0.421 nan 8.310 nan 0.000 0.517 458 Q N 0.864 120.427 119.800 -0.396 0.000 2.396 458 Q HA 0.362 4.702 4.340 0.001 0.000 0.209 458 Q C 0.813 176.700 176.000 -0.189 0.000 0.906 458 Q CA 0.043 55.626 55.803 -0.366 0.000 0.927 458 Q CB -0.049 28.330 28.738 -0.599 0.000 1.069 458 Q HN 0.510 nan 8.270 nan 0.000 0.523 459 S N 1.349 116.983 115.700 -0.110 0.000 2.572 459 S HA 0.090 4.560 4.470 0.001 0.000 0.267 459 S C 0.085 174.670 174.600 -0.026 0.000 1.361 459 S CA -0.007 58.194 58.200 0.003 0.000 1.009 459 S CB 0.309 63.630 63.200 0.201 0.000 0.888 459 S HN 0.251 nan 8.310 nan 0.000 0.553 460 N N 1.320 119.968 118.700 -0.086 0.000 2.287 460 N HA 0.412 5.152 4.740 0.001 0.000 0.289 460 N C -2.905 172.447 175.510 -0.264 0.000 1.066 460 N CA -1.287 51.680 53.050 -0.138 0.000 0.841 460 N CB 1.945 40.372 38.487 -0.099 0.000 1.599 460 N HN 0.390 nan 8.380 nan 0.000 0.476 461 P HA 0.152 nan 4.420 nan 0.000 0.276 461 P C -0.093 177.112 177.300 -0.157 0.000 1.244 461 P CA 0.136 63.102 63.100 -0.224 0.000 0.801 461 P CB 0.746 32.371 31.700 -0.126 0.000 1.006 462 S N 0.000 115.609 115.700 -0.151 0.000 2.498 462 S HA 0.000 4.470 4.470 0.001 0.000 0.327 462 S CA 0.000 58.142 58.200 -0.098 0.000 1.107 462 S CB 0.000 63.161 63.200 -0.065 0.000 0.593 462 S HN 0.000 nan 8.310 nan 0.000 0.517