REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3hu2_1_B DATA FIRST_RESID 12 DATA SEQUENCE LSTAILKQKN RPNRLIVDEA INEDNSVVSL SQPKMDELQL FRGDTVLLKG DATA SEQUENCE KKRREAVCIV LSDDTCSDEK IRMNAVVRNN LRVRLGDVIS IQPCPDVKYG DATA SEQUENCE KRIHVLPIDD TVEGITGNLF EVYLKPYFLE AYRPIRKGDI FLVRGGMRAV DATA SEQUENCE EFKVVETDPS PYCIVAPDTV IHCEGEPIKR EDEEESLNEV GYDDIGGCRK DATA SEQUENCE QLAQIKEMVE LPLRHPALFK AIGVKPPRGI LLYGPPGTGK TLIARAVANE DATA SEQUENCE TGAFFFLING PEIMSKLAGE SESNLRKAFE EAEKNAPAII FIDELDAIAP DATA SEQUENCE KREKTHGEVE RRIVSQLLTL MDGLKQRAHV IVMAATNRPN SIDPALRRFG DATA SEQUENCE RFDREVDIGI PDATGRLEIL QIHTKNMKLA DDVDLEQVAN ETHGHVGADL DATA SEQUENCE AALCSEAALQ AIRKKMDLID LEDETIDAEV MNSLAVTMDD FRWALSQSNP DATA SEQUENCE SA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 12 L HA 0.000 nan 4.340 nan 0.000 0.249 12 L C 0.000 176.872 176.870 0.003 0.000 1.165 12 L CA 0.000 54.841 54.840 0.002 0.000 0.813 12 L CB 0.000 42.061 42.059 0.004 0.000 0.961 13 S N -1.324 114.379 115.700 0.005 0.000 2.468 13 S HA 0.008 4.479 4.470 0.001 0.000 0.226 13 S C 1.752 176.355 174.600 0.005 0.000 1.051 13 S CA 0.999 59.204 58.200 0.008 0.000 0.943 13 S CB -0.523 62.684 63.200 0.012 0.000 0.810 13 S HN 0.473 nan 8.310 nan 0.000 0.509 14 T N 1.931 116.486 114.554 0.001 0.000 3.026 14 T HA 0.022 4.372 4.350 0.001 0.000 0.271 14 T C 1.754 176.451 174.700 -0.006 0.000 1.149 14 T CA 1.194 63.291 62.100 -0.005 0.000 1.088 14 T CB -1.000 67.865 68.868 -0.006 0.000 0.857 14 T HN 0.593 nan 8.240 nan 0.000 0.551 15 A N 1.221 124.040 122.820 -0.002 0.000 1.940 15 A HA -0.147 4.173 4.320 0.001 0.000 0.221 15 A C 2.201 179.784 177.584 -0.001 0.000 1.190 15 A CA 1.915 53.950 52.037 -0.002 0.000 0.647 15 A CB -0.939 18.060 19.000 -0.003 0.000 0.821 15 A HN 0.700 nan 8.150 nan 0.000 0.457 16 I N -0.812 119.759 120.570 0.001 0.000 2.530 16 I HA -0.210 3.961 4.170 0.001 0.000 0.257 16 I C 1.795 177.913 176.117 0.000 0.000 1.179 16 I CA 1.173 62.477 61.300 0.007 0.000 1.440 16 I CB 0.005 38.017 38.000 0.019 0.000 1.087 16 I HN 0.358 nan 8.210 nan 0.000 0.440 17 L N -0.007 121.209 121.223 -0.012 0.000 2.446 17 L HA 0.040 4.380 4.340 0.001 0.000 0.219 17 L C 1.207 178.073 176.870 -0.006 0.000 1.116 17 L CA 0.047 54.874 54.840 -0.021 0.000 0.844 17 L CB -0.390 41.646 42.059 -0.039 0.000 0.970 17 L HN 0.039 nan 8.230 nan 0.000 0.457 18 K N 0.869 121.268 120.400 -0.002 0.000 2.436 18 K HA -0.039 4.281 4.320 0.001 0.000 0.275 18 K C 0.996 177.601 176.600 0.007 0.000 0.999 18 K CA 0.015 56.303 56.287 0.002 0.000 0.980 18 K CB 0.788 33.288 32.500 0.000 0.000 0.919 18 K HN 0.124 nan 8.250 nan 0.000 0.484 19 Q N 2.447 122.252 119.800 0.008 0.000 2.135 19 Q HA -0.177 4.163 4.340 0.001 0.000 0.204 19 Q C -0.459 175.548 176.000 0.013 0.000 0.981 19 Q CA 1.335 57.145 55.803 0.012 0.000 0.856 19 Q CB -0.095 28.649 28.738 0.011 0.000 0.902 19 Q HN 0.567 nan 8.270 nan 0.000 0.425 20 K N 1.621 122.026 120.400 0.008 0.000 6.527 20 K HA -0.115 4.205 4.320 0.001 0.000 0.707 20 K C -1.158 175.446 176.600 0.006 0.000 2.023 20 K CA 0.004 56.295 56.287 0.006 0.000 1.629 20 K CB -0.288 32.215 32.500 0.006 0.000 1.835 20 K HN 0.220 nan 8.250 nan 0.000 0.314 21 N N 3.242 121.944 118.700 0.004 0.000 2.468 21 N HA 0.158 4.898 4.740 0.001 0.000 0.265 21 N C -0.231 175.280 175.510 0.002 0.000 1.199 21 N CA 0.261 53.313 53.050 0.003 0.000 0.928 21 N CB 0.818 39.306 38.487 0.001 0.000 1.059 21 N HN 0.315 nan 8.380 nan 0.000 0.467 22 R N 2.166 122.667 120.500 0.002 0.000 2.725 22 R HA 0.338 4.679 4.340 0.001 0.000 0.277 22 R C -1.520 174.779 176.300 -0.002 0.000 0.987 22 R CA -1.380 54.720 56.100 0.001 0.000 0.901 22 R CB 1.620 31.923 30.300 0.004 0.000 1.207 22 R HN 0.244 nan 8.270 nan 0.000 0.463 23 P HA -0.291 nan 4.420 nan 0.000 0.220 23 P C 0.252 177.546 177.300 -0.009 0.000 1.155 23 P CA 1.659 64.754 63.100 -0.008 0.000 0.880 23 P CB 0.138 31.831 31.700 -0.012 0.000 0.790 24 N N -1.918 116.777 118.700 -0.008 0.000 2.254 24 N HA -0.029 4.711 4.740 0.001 0.000 0.190 24 N C 0.649 176.157 175.510 -0.004 0.000 1.107 24 N CA -0.068 52.976 53.050 -0.010 0.000 0.869 24 N CB 0.045 38.524 38.487 -0.013 0.000 0.983 24 N HN 0.063 nan 8.380 nan 0.000 0.487 25 R N 1.067 121.567 120.500 0.000 0.000 2.242 25 R HA 0.378 4.719 4.340 0.001 0.000 0.334 25 R C -0.918 175.383 176.300 0.002 0.000 1.071 25 R CA -0.063 56.039 56.100 0.004 0.000 0.922 25 R CB 0.342 30.646 30.300 0.008 0.000 1.023 25 R HN 0.153 nan 8.270 nan 0.000 0.458 26 L N 5.138 126.362 121.223 0.002 0.000 2.381 26 L HA 0.477 4.818 4.340 0.001 0.000 0.268 26 L C -0.219 176.653 176.870 0.004 0.000 0.997 26 L CA -0.856 53.985 54.840 0.002 0.000 0.818 26 L CB 2.263 44.321 42.059 -0.001 0.000 1.310 26 L HN 0.505 nan 8.230 nan 0.000 0.416 27 I N 3.004 123.576 120.570 0.004 0.000 2.533 27 I HA 0.059 4.229 4.170 0.001 0.000 0.284 27 I C 0.295 176.415 176.117 0.005 0.000 1.109 27 I CA -0.482 60.821 61.300 0.005 0.000 1.412 27 I CB 1.254 39.257 38.000 0.005 0.000 1.396 27 I HN 0.338 nan 8.210 nan 0.000 0.543 28 V N 3.338 123.256 119.914 0.006 0.000 2.421 28 V HA 0.258 4.378 4.120 0.001 0.000 0.271 28 V C -0.163 175.935 176.094 0.007 0.000 1.031 28 V CA -0.281 62.023 62.300 0.007 0.000 1.032 28 V CB 0.815 32.643 31.823 0.008 0.000 1.009 28 V HN 0.596 nan 8.190 nan 0.000 0.477 29 D N 3.239 123.643 120.400 0.007 0.000 2.228 29 D HA 0.329 4.970 4.640 0.001 0.000 0.247 29 D C -0.115 176.190 176.300 0.009 0.000 0.995 29 D CA -0.569 53.435 54.000 0.007 0.000 0.903 29 D CB 2.191 42.995 40.800 0.006 0.000 1.205 29 D HN 0.876 nan 8.370 nan 0.000 0.459 30 E N 0.533 120.738 120.200 0.009 0.000 2.442 30 E HA 0.358 4.708 4.350 0.001 0.000 0.262 30 E C -1.031 175.575 176.600 0.011 0.000 1.004 30 E CA -0.271 56.135 56.400 0.011 0.000 0.928 30 E CB 0.659 30.365 29.700 0.010 0.000 0.937 30 E HN 0.359 nan 8.360 nan 0.000 0.446 31 A N 4.368 127.196 122.820 0.013 0.000 2.327 31 A HA 0.364 4.684 4.320 0.001 0.000 0.283 31 A C 1.052 178.644 177.584 0.013 0.000 1.127 31 A CA -0.122 51.923 52.037 0.013 0.000 0.810 31 A CB 0.006 19.016 19.000 0.017 0.000 1.066 31 A HN 0.805 nan 8.150 nan 0.000 0.492 32 I N 0.205 120.781 120.570 0.011 0.000 2.585 32 I HA 0.086 4.257 4.170 0.001 0.000 0.254 32 I C 0.671 176.794 176.117 0.010 0.000 1.129 32 I CA 0.397 61.703 61.300 0.010 0.000 1.455 32 I CB -0.076 37.928 38.000 0.008 0.000 1.111 32 I HN 0.485 nan 8.210 nan 0.000 0.433 33 N N 2.509 121.216 118.700 0.010 0.000 2.402 33 N HA 0.010 4.750 4.740 0.001 0.000 0.252 33 N C 0.303 175.821 175.510 0.014 0.000 1.118 33 N CA 0.229 53.285 53.050 0.010 0.000 0.945 33 N CB 1.024 39.515 38.487 0.007 0.000 1.147 33 N HN 0.250 nan 8.380 nan 0.000 0.495 34 E N 1.299 121.510 120.200 0.017 0.000 2.502 34 E HA -0.030 4.320 4.350 0.001 0.000 0.194 34 E C -0.561 176.061 176.600 0.037 0.000 1.062 34 E CA 0.082 56.498 56.400 0.027 0.000 0.867 34 E CB -0.085 29.632 29.700 0.028 0.000 0.888 34 E HN 0.552 nan 8.360 nan 0.000 0.510 35 D N -0.712 119.703 120.400 0.025 0.000 2.345 35 D HA 0.035 4.675 4.640 0.001 0.000 0.247 35 D C 0.800 177.124 176.300 0.040 0.000 1.108 35 D CA -0.079 53.936 54.000 0.024 0.000 0.894 35 D CB 0.741 41.531 40.800 -0.017 0.000 1.203 35 D HN -0.138 nan 8.370 nan 0.000 0.430 36 N N 1.329 120.078 118.700 0.081 0.000 2.272 36 N HA -0.125 4.615 4.740 0.001 0.000 0.185 36 N C 1.057 176.601 175.510 0.056 0.000 1.014 36 N CA 0.634 53.750 53.050 0.110 0.000 0.870 36 N CB -0.008 38.620 38.487 0.234 0.000 0.975 36 N HN 0.223 nan 8.380 nan 0.000 0.433 37 S N -0.362 115.338 115.700 0.000 0.000 2.593 37 S HA 0.138 4.608 4.470 0.001 0.000 0.217 37 S C 0.329 174.924 174.600 -0.008 0.000 0.966 37 S CA -0.255 57.935 58.200 -0.017 0.000 0.914 37 S CB 0.437 63.600 63.200 -0.061 0.000 0.776 37 S HN 0.060 nan 8.310 nan 0.000 0.523 38 V N 2.472 122.386 119.914 -0.000 0.000 2.540 38 V HA 0.680 4.800 4.120 0.001 0.000 0.302 38 V C -0.790 175.307 176.094 0.005 0.000 1.035 38 V CA -0.685 61.615 62.300 -0.000 0.000 0.873 38 V CB 1.759 33.580 31.823 -0.003 0.000 0.992 38 V HN 0.105 nan 8.190 nan 0.000 0.428 39 V N 3.760 123.674 119.914 0.001 0.000 2.715 39 V HA 0.820 4.941 4.120 0.001 0.000 0.310 39 V C -0.090 176.005 176.094 0.001 0.000 1.054 39 V CA -0.404 61.897 62.300 0.001 0.000 0.928 39 V CB 1.826 33.647 31.823 -0.003 0.000 1.007 39 V HN 0.809 nan 8.190 nan 0.000 0.437 40 S N 4.331 120.033 115.700 0.003 0.000 2.472 40 S HA 0.845 5.316 4.470 0.001 0.000 0.303 40 S C -0.511 174.091 174.600 0.003 0.000 1.099 40 S CA -0.596 57.606 58.200 0.004 0.000 1.077 40 S CB 1.190 64.394 63.200 0.006 0.000 1.031 40 S HN 0.702 nan 8.310 nan 0.000 0.487 41 L N 1.688 122.913 121.223 0.003 0.000 2.333 41 L HA 0.591 4.931 4.340 0.001 0.000 0.263 41 L C 0.505 177.379 176.870 0.006 0.000 1.014 41 L CA -0.992 53.849 54.840 0.002 0.000 0.820 41 L CB 2.033 44.090 42.059 -0.002 0.000 1.352 41 L HN 0.738 nan 8.230 nan 0.000 0.421 42 S N -0.030 115.673 115.700 0.005 0.000 2.576 42 S HA -0.003 4.467 4.470 0.001 0.000 0.272 42 S C 0.635 175.241 174.600 0.011 0.000 1.352 42 S CA -0.132 58.072 58.200 0.008 0.000 1.021 42 S CB 1.412 64.615 63.200 0.006 0.000 0.887 42 S HN 0.691 nan 8.310 nan 0.000 0.542 43 Q N 1.844 121.652 119.800 0.014 0.000 2.084 43 Q HA 0.059 4.399 4.340 0.001 0.000 0.202 43 Q C -0.964 175.048 176.000 0.020 0.000 0.978 43 Q CA 1.971 57.786 55.803 0.020 0.000 0.844 43 Q CB -1.629 27.122 28.738 0.022 0.000 0.898 43 Q HN 0.717 nan 8.270 nan 0.000 0.426 44 P HA -0.059 nan 4.420 nan 0.000 0.226 44 P C 0.455 177.759 177.300 0.006 0.000 1.153 44 P CA 1.061 64.168 63.100 0.012 0.000 0.777 44 P CB 0.123 31.828 31.700 0.009 0.000 0.794 45 K N -0.360 120.043 120.400 0.004 0.000 2.137 45 K HA 0.111 4.432 4.320 0.001 0.000 0.202 45 K C 1.944 178.538 176.600 -0.010 0.000 1.052 45 K CA 1.194 57.479 56.287 -0.003 0.000 0.961 45 K CB -0.826 31.672 32.500 -0.003 0.000 0.741 45 K HN 0.012 nan 8.250 nan 0.000 0.452 46 M N 0.253 119.851 119.600 -0.003 0.000 2.132 46 M HA -0.143 4.337 4.480 0.001 0.000 0.263 46 M C 1.245 177.536 176.300 -0.016 0.000 1.065 46 M CA 1.914 57.209 55.300 -0.008 0.000 1.122 46 M CB -0.334 32.276 32.600 0.017 0.000 1.365 46 M HN 0.100 nan 8.290 nan 0.000 0.411 47 D N 0.272 120.679 120.400 0.012 0.000 2.104 47 D HA -0.204 4.437 4.640 0.001 0.000 0.194 47 D C 1.912 178.205 176.300 -0.013 0.000 0.994 47 D CA 1.278 55.290 54.000 0.020 0.000 0.830 47 D CB -0.085 40.736 40.800 0.034 0.000 0.959 47 D HN 0.353 nan 8.370 nan 0.000 0.452 48 E N -0.097 120.094 120.200 -0.015 0.000 2.077 48 E HA -0.138 4.212 4.350 0.001 0.000 0.193 48 E C 1.608 178.184 176.600 -0.041 0.000 0.989 48 E CA 0.692 57.079 56.400 -0.021 0.000 0.800 48 E CB 0.002 29.693 29.700 -0.014 0.000 0.746 48 E HN 0.301 nan 8.360 nan 0.000 0.452 49 L N 0.579 121.769 121.223 -0.056 0.000 2.612 49 L HA 0.067 4.408 4.340 0.001 0.000 0.230 49 L C 0.274 177.065 176.870 -0.131 0.000 1.140 49 L CA 0.060 54.855 54.840 -0.076 0.000 0.896 49 L CB 0.013 42.033 42.059 -0.065 0.000 1.065 49 L HN 0.105 nan 8.230 nan 0.000 0.447 50 Q N 1.002 120.704 119.800 -0.163 0.000 2.431 50 Q HA -0.192 4.149 4.340 0.001 0.000 0.344 50 Q C -0.819 174.885 176.000 -0.494 0.000 1.384 50 Q CA 0.494 56.105 55.803 -0.320 0.000 0.984 50 Q CB -1.316 27.258 28.738 -0.273 0.000 1.204 50 Q HN 0.466 nan 8.270 nan 0.000 0.392 51 L N 1.122 122.124 121.223 -0.368 0.000 2.316 51 L HA 0.509 4.849 4.340 0.001 0.000 0.280 51 L C 0.157 176.912 176.870 -0.192 0.000 1.006 51 L CA -0.532 54.128 54.840 -0.301 0.000 0.836 51 L CB 0.674 42.651 42.059 -0.137 0.000 1.221 51 L HN 0.091 nan 8.230 nan 0.000 0.418 52 F N 1.180 121.122 119.950 -0.012 0.000 2.375 52 F HA 0.378 4.905 4.527 0.001 0.000 0.313 52 F C 1.183 176.975 175.800 -0.014 0.000 1.176 52 F CA -0.870 57.123 58.000 -0.012 0.000 1.142 52 F CB 0.516 39.508 39.000 -0.012 0.000 1.275 52 F HN 0.415 nan 8.300 nan 0.000 0.544 53 R N 0.497 121.122 120.500 0.209 0.000 2.570 53 R HA 0.213 4.553 4.340 0.001 0.000 0.277 53 R C 0.955 177.301 176.300 0.077 0.000 1.039 53 R CA 1.183 57.343 56.100 0.099 0.000 1.065 53 R CB -0.064 30.274 30.300 0.063 0.000 0.964 53 R HN 0.953 nan 8.270 nan 0.000 0.428 54 G N 2.897 111.725 108.800 0.046 0.000 2.225 54 G HA2 -0.241 3.719 3.960 0.001 0.000 0.254 54 G HA3 -0.241 3.719 3.960 0.001 0.000 0.254 54 G C -0.247 174.666 174.900 0.022 0.000 0.988 54 G CA 0.201 45.318 45.100 0.028 0.000 0.625 54 G HN 0.667 nan 8.290 nan 0.000 0.527 55 D N 2.193 122.612 120.400 0.031 0.000 2.424 55 D HA 0.391 5.032 4.640 0.001 0.000 0.244 55 D C 1.211 177.501 176.300 -0.016 0.000 1.134 55 D CA 1.149 55.155 54.000 0.010 0.000 0.881 55 D CB 0.935 41.738 40.800 0.005 0.000 1.191 55 D HN 0.473 nan 8.370 nan 0.000 0.445 56 T N -0.964 113.572 114.554 -0.029 0.000 2.834 56 T HA 0.398 4.748 4.350 0.001 0.000 0.298 56 T C 0.481 175.140 174.700 -0.068 0.000 0.966 56 T CA -0.882 61.189 62.100 -0.048 0.000 1.141 56 T CB 0.617 69.452 68.868 -0.055 0.000 0.905 56 T HN 0.198 nan 8.240 nan 0.000 0.535 57 V N 1.309 121.175 119.914 -0.079 0.000 2.919 57 V HA 0.840 4.960 4.120 0.001 0.000 0.316 57 V C -0.626 175.388 176.094 -0.133 0.000 1.077 57 V CA -1.513 60.733 62.300 -0.091 0.000 0.977 57 V CB 1.675 33.459 31.823 -0.065 0.000 1.039 57 V HN 0.829 nan 8.190 nan 0.000 0.441 58 L N 3.251 124.394 121.223 -0.134 0.000 2.298 58 L HA 0.664 5.005 4.340 0.001 0.000 0.284 58 L C -0.779 176.035 176.870 -0.094 0.000 1.013 58 L CA -0.223 54.518 54.840 -0.164 0.000 0.824 58 L CB 0.850 42.799 42.059 -0.184 0.000 1.221 58 L HN 0.737 nan 8.230 nan 0.000 0.418 59 L N 5.249 126.423 121.223 -0.082 0.000 2.309 59 L HA 0.549 4.890 4.340 0.001 0.000 0.282 59 L C -0.157 176.698 176.870 -0.025 0.000 1.036 59 L CA -0.625 54.190 54.840 -0.042 0.000 0.806 59 L CB 1.278 43.319 42.059 -0.030 0.000 1.220 59 L HN 0.542 nan 8.230 nan 0.000 0.429 60 K N 1.904 122.298 120.400 -0.009 0.000 2.507 60 K HA 0.448 4.769 4.320 0.001 0.000 0.253 60 K C 0.195 176.801 176.600 0.010 0.000 0.969 60 K CA -0.361 55.929 56.287 0.005 0.000 0.908 60 K CB 2.039 34.547 32.500 0.012 0.000 1.127 60 K HN 0.765 nan 8.250 nan 0.000 0.437 61 G N 2.335 111.141 108.800 0.010 0.000 2.975 61 G HA2 0.227 4.188 3.960 0.001 0.000 0.159 61 G HA3 0.227 4.188 3.960 0.001 0.000 0.159 61 G C -0.446 174.461 174.900 0.011 0.000 1.525 61 G CA -0.301 44.805 45.100 0.010 0.000 1.075 61 G HN 0.357 nan 8.290 nan 0.000 0.574 62 K N -0.351 120.051 120.400 0.004 0.000 2.139 62 K HA 0.417 4.737 4.320 0.001 0.000 0.243 62 K C -0.480 176.104 176.600 -0.027 0.000 0.983 62 K CA -0.570 55.715 56.287 -0.004 0.000 0.890 62 K CB 1.262 33.758 32.500 -0.006 0.000 1.090 62 K HN 0.339 nan 8.250 nan 0.000 0.445 63 K N 1.196 121.562 120.400 -0.057 0.000 3.257 63 K HA -0.289 4.032 4.320 0.001 0.000 0.270 63 K C 0.026 176.583 176.600 -0.071 0.000 0.984 63 K CA 0.959 57.184 56.287 -0.103 0.000 0.739 63 K CB -1.049 31.381 32.500 -0.116 0.000 1.351 63 K HN 0.826 nan 8.250 nan 0.000 0.463 64 R N -1.452 119.023 120.500 -0.042 0.000 3.746 64 R HA -0.211 4.129 4.340 0.001 0.000 0.465 64 R C -0.510 175.792 176.300 0.005 0.000 0.725 64 R CA 1.843 57.934 56.100 -0.015 0.000 1.545 64 R CB -0.519 29.764 30.300 -0.028 0.000 2.197 64 R HN 0.332 nan 8.270 nan 0.000 0.438 65 R N 1.857 122.357 120.500 -0.000 0.000 2.543 65 R HA 0.228 4.568 4.340 0.001 0.000 0.277 65 R C -0.187 176.126 176.300 0.023 0.000 1.074 65 R CA 0.443 56.551 56.100 0.014 0.000 1.076 65 R CB 0.628 30.932 30.300 0.006 0.000 0.993 65 R HN 0.397 nan 8.270 nan 0.000 0.459 66 E N -0.117 120.105 120.200 0.035 0.000 2.369 66 E HA 0.713 5.064 4.350 0.001 0.000 0.270 66 E C -1.248 175.367 176.600 0.024 0.000 0.909 66 E CA -0.975 55.441 56.400 0.027 0.000 0.775 66 E CB 2.494 32.222 29.700 0.046 0.000 1.270 66 E HN 0.636 nan 8.360 nan 0.000 0.445 67 A N 0.762 123.576 122.820 -0.010 0.000 2.549 67 A HA 0.616 4.937 4.320 0.001 0.000 0.297 67 A C -1.117 176.420 177.584 -0.078 0.000 1.061 67 A CA -0.758 51.271 52.037 -0.012 0.000 0.690 67 A CB 1.362 20.369 19.000 0.012 0.000 1.287 67 A HN 0.352 nan 8.150 nan 0.000 0.402 68 V N -1.172 118.689 119.914 -0.089 0.000 2.417 68 V HA 0.772 4.893 4.120 0.001 0.000 0.291 68 V C -0.169 175.885 176.094 -0.066 0.000 1.024 68 V CA -0.732 61.482 62.300 -0.143 0.000 0.861 68 V CB 0.111 31.783 31.823 -0.253 0.000 0.985 68 V HN 0.997 nan 8.190 nan 0.000 0.436 69 C N 4.328 123.590 119.300 -0.064 0.000 3.154 69 C HA 0.692 5.152 4.460 0.001 0.000 0.312 69 C C -0.017 174.954 174.990 -0.032 0.000 1.349 69 C CA -0.761 58.237 59.018 -0.032 0.000 1.518 69 C CB 2.008 29.735 27.740 -0.021 0.000 1.934 69 C HN 0.903 nan 8.230 nan 0.000 0.462 70 I N 1.504 122.064 120.570 -0.017 0.000 2.396 70 I HA 0.377 4.547 4.170 0.001 0.000 0.292 70 I C -0.062 176.050 176.117 -0.008 0.000 0.999 70 I CA -0.090 61.204 61.300 -0.010 0.000 1.310 70 I CB 1.140 39.140 38.000 0.000 0.000 1.404 70 I HN 0.295 nan 8.210 nan 0.000 0.496 71 V N 8.066 127.976 119.914 -0.007 0.000 2.407 71 V HA 0.510 4.630 4.120 0.001 0.000 0.278 71 V C -0.308 175.792 176.094 0.010 0.000 1.037 71 V CA -0.265 62.033 62.300 -0.003 0.000 0.900 71 V CB 1.141 32.957 31.823 -0.011 0.000 0.983 71 V HN 0.493 nan 8.190 nan 0.000 0.459 72 L N 5.487 126.716 121.223 0.010 0.000 2.354 72 L HA 0.618 4.958 4.340 0.001 0.000 0.264 72 L C 0.233 177.113 176.870 0.015 0.000 1.008 72 L CA -0.740 54.110 54.840 0.016 0.000 0.819 72 L CB 2.512 44.578 42.059 0.011 0.000 1.339 72 L HN 0.705 nan 8.230 nan 0.000 0.420 73 S N -0.459 115.253 115.700 0.020 0.000 2.576 73 S HA 0.349 4.820 4.470 0.001 0.000 0.276 73 S C -0.742 173.866 174.600 0.013 0.000 1.339 73 S CA -0.474 57.737 58.200 0.018 0.000 1.039 73 S CB 1.437 64.651 63.200 0.023 0.000 0.902 73 S HN 0.630 nan 8.310 nan 0.000 0.516 74 D N 0.002 120.409 120.400 0.011 0.000 2.879 74 D HA 0.382 5.022 4.640 0.001 0.000 0.236 74 D C -0.334 175.971 176.300 0.008 0.000 1.171 74 D CA -0.586 53.419 54.000 0.009 0.000 0.868 74 D CB 2.064 42.869 40.800 0.008 0.000 1.598 74 D HN 0.393 nan 8.370 nan 0.000 0.497 75 D N 0.701 121.106 120.400 0.007 0.000 2.120 75 D HA -0.068 4.572 4.640 0.001 0.000 0.202 75 D C 1.560 177.864 176.300 0.006 0.000 0.972 75 D CA 1.007 55.011 54.000 0.007 0.000 0.837 75 D CB -0.128 40.676 40.800 0.006 0.000 0.989 75 D HN 0.420 nan 8.370 nan 0.000 0.469 76 T N -0.441 114.117 114.554 0.006 0.000 3.113 76 T HA -0.048 4.302 4.350 0.001 0.000 0.263 76 T C 0.732 175.435 174.700 0.005 0.000 1.143 76 T CA 0.084 62.187 62.100 0.005 0.000 1.090 76 T CB -0.542 68.329 68.868 0.005 0.000 0.922 76 T HN 0.157 nan 8.240 nan 0.000 0.521 77 C N 2.333 121.636 119.300 0.006 0.000 2.452 77 C HA 0.675 5.135 4.460 0.001 0.000 0.379 77 C C 0.856 175.849 174.990 0.005 0.000 1.275 77 C CA -0.875 58.146 59.018 0.005 0.000 2.056 77 C CB -0.175 27.569 27.740 0.005 0.000 2.506 77 C HN 0.462 nan 8.230 nan 0.000 0.560 78 S N 4.145 119.847 115.700 0.004 0.000 2.600 78 S HA 0.081 4.552 4.470 0.001 0.000 0.265 78 S C 0.810 175.412 174.600 0.003 0.000 1.325 78 S CA -0.266 57.936 58.200 0.004 0.000 1.002 78 S CB 0.866 64.068 63.200 0.003 0.000 0.921 78 S HN 0.881 nan 8.310 nan 0.000 0.554 79 D N 1.176 121.578 120.400 0.003 0.000 2.092 79 D HA -0.094 4.546 4.640 0.001 0.000 0.193 79 D C 1.227 177.528 176.300 0.001 0.000 0.994 79 D CA 1.207 55.208 54.000 0.002 0.000 0.828 79 D CB 0.053 40.855 40.800 0.002 0.000 0.963 79 D HN 0.440 nan 8.370 nan 0.000 0.450 80 E N 0.282 120.483 120.200 0.001 0.000 2.445 80 E HA 0.124 4.474 4.350 0.001 0.000 0.189 80 E C -0.044 176.557 176.600 0.001 0.000 1.069 80 E CA 0.212 56.612 56.400 0.001 0.000 0.871 80 E CB 0.244 29.945 29.700 0.001 0.000 0.991 80 E HN 0.301 nan 8.360 nan 0.000 0.481 81 K N 0.542 120.943 120.400 0.002 0.000 2.328 81 K HA 0.577 4.897 4.320 0.001 0.000 0.246 81 K C -0.636 175.965 176.600 0.002 0.000 0.955 81 K CA -0.791 55.497 56.287 0.002 0.000 0.817 81 K CB 2.552 35.054 32.500 0.003 0.000 1.208 81 K HN -0.059 nan 8.250 nan 0.000 0.432 82 I N 1.425 121.997 120.570 0.002 0.000 2.498 82 I HA 0.339 4.510 4.170 0.001 0.000 0.290 82 I C -0.988 175.132 176.117 0.004 0.000 1.032 82 I CA -0.736 60.565 61.300 0.002 0.000 1.073 82 I CB 1.129 39.129 38.000 -0.000 0.000 1.251 82 I HN 0.469 nan 8.210 nan 0.000 0.426 83 R N 8.849 129.352 120.500 0.005 0.000 2.221 83 R HA 0.626 4.966 4.340 0.001 0.000 0.327 83 R C -0.926 175.379 176.300 0.009 0.000 1.033 83 R CA -0.437 55.668 56.100 0.007 0.000 0.887 83 R CB 1.258 31.563 30.300 0.008 0.000 1.057 83 R HN 0.669 nan 8.270 nan 0.000 0.455 84 M N 0.315 119.922 119.600 0.012 0.000 2.421 84 M HA 0.338 4.818 4.480 0.001 0.000 0.287 84 M C -0.907 175.406 176.300 0.021 0.000 1.183 84 M CA -1.211 54.099 55.300 0.016 0.000 0.916 84 M CB 2.077 34.686 32.600 0.015 0.000 1.701 84 M HN 0.448 nan 8.290 nan 0.000 0.470 85 N N 1.852 120.569 118.700 0.028 0.000 2.327 85 N HA 0.553 5.293 4.740 0.001 0.000 0.257 85 N C 0.909 176.440 175.510 0.035 0.000 1.281 85 N CA -0.118 52.951 53.050 0.033 0.000 0.942 85 N CB 0.693 39.205 38.487 0.041 0.000 1.199 85 N HN 0.815 nan 8.380 nan 0.000 0.532 86 A N -0.223 122.618 122.820 0.035 0.000 1.972 86 A HA -0.082 4.239 4.320 0.001 0.000 0.219 86 A C 2.044 179.652 177.584 0.039 0.000 1.169 86 A CA 1.216 53.272 52.037 0.031 0.000 0.635 86 A CB -0.965 18.051 19.000 0.026 0.000 0.810 86 A HN 0.471 nan 8.150 nan 0.000 0.446 87 V N -0.587 119.361 119.914 0.056 0.000 2.323 87 V HA -0.189 3.931 4.120 0.001 0.000 0.244 87 V C 2.573 178.713 176.094 0.077 0.000 1.041 87 V CA 1.921 64.267 62.300 0.077 0.000 1.025 87 V CB -0.562 31.331 31.823 0.117 0.000 0.656 87 V HN 0.373 nan 8.190 nan 0.000 0.451 88 V N -0.245 119.710 119.914 0.068 0.000 2.358 88 V HA -0.230 3.890 4.120 0.001 0.000 0.246 88 V C 2.553 178.671 176.094 0.040 0.000 1.047 88 V CA 1.911 64.244 62.300 0.055 0.000 1.035 88 V CB -0.810 31.038 31.823 0.043 0.000 0.658 88 V HN 0.433 nan 8.190 nan 0.000 0.452 89 R N 0.098 120.617 120.500 0.033 0.000 2.081 89 R HA -0.199 4.142 4.340 0.001 0.000 0.235 89 R C 2.276 178.589 176.300 0.021 0.000 1.131 89 R CA 1.918 58.031 56.100 0.023 0.000 0.960 89 R CB -0.443 29.869 30.300 0.019 0.000 0.856 89 R HN 0.588 nan 8.270 nan 0.000 0.436 90 N N 0.635 119.351 118.700 0.026 0.000 2.084 90 N HA -0.141 4.599 4.740 0.001 0.000 0.190 90 N C 1.241 176.766 175.510 0.025 0.000 1.030 90 N CA 1.665 54.728 53.050 0.022 0.000 0.849 90 N CB -0.110 38.391 38.487 0.024 0.000 1.012 90 N HN 0.228 nan 8.380 nan 0.000 0.423 91 N N -0.620 118.106 118.700 0.042 0.000 2.166 91 N HA -0.053 4.687 4.740 0.001 0.000 0.186 91 N C 1.013 176.543 175.510 0.034 0.000 1.019 91 N CA 0.693 53.773 53.050 0.049 0.000 0.856 91 N CB -0.031 38.502 38.487 0.076 0.000 0.993 91 N HN 0.242 nan 8.380 nan 0.000 0.426 92 L N 0.725 121.963 121.223 0.026 0.000 2.599 92 L HA 0.151 4.492 4.340 0.001 0.000 0.230 92 L C 0.019 176.893 176.870 0.008 0.000 1.141 92 L CA 0.019 54.868 54.840 0.016 0.000 0.877 92 L CB -0.035 42.032 42.059 0.014 0.000 1.009 92 L HN 0.121 nan 8.230 nan 0.000 0.447 93 R N 0.112 120.615 120.500 0.005 0.000 3.264 93 R HA -0.132 4.208 4.340 0.001 0.000 0.251 93 R C -0.719 175.579 176.300 -0.004 0.000 0.971 93 R CA 0.709 56.806 56.100 -0.005 0.000 0.658 93 R CB -2.592 27.698 30.300 -0.017 0.000 1.095 93 R HN 0.289 nan 8.270 nan 0.000 0.443 94 V N -1.436 118.479 119.914 0.002 0.000 2.638 94 V HA 0.728 4.848 4.120 0.001 0.000 0.306 94 V C 0.629 176.725 176.094 0.004 0.000 1.052 94 V CA -1.373 60.929 62.300 0.004 0.000 0.885 94 V CB 2.709 34.536 31.823 0.007 0.000 0.999 94 V HN 0.266 nan 8.190 nan 0.000 0.424 95 R N 3.340 123.842 120.500 0.003 0.000 2.532 95 R HA 0.625 4.966 4.340 0.001 0.000 0.272 95 R C -0.577 175.726 176.300 0.006 0.000 1.032 95 R CA -0.864 55.238 56.100 0.004 0.000 1.089 95 R CB 0.659 30.960 30.300 0.001 0.000 1.098 95 R HN 0.706 nan 8.270 nan 0.000 0.526 96 L N 1.056 122.283 121.223 0.006 0.000 2.615 96 L HA 0.094 4.434 4.340 0.001 0.000 0.284 96 L C 1.499 178.373 176.870 0.006 0.000 1.237 96 L CA 1.972 56.816 54.840 0.007 0.000 0.905 96 L CB -0.187 41.876 42.059 0.006 0.000 1.149 96 L HN 1.038 nan 8.230 nan 0.000 0.499 97 G N 0.948 109.752 108.800 0.006 0.000 2.142 97 G HA2 -0.197 3.764 3.960 0.001 0.000 0.225 97 G HA3 -0.197 3.764 3.960 0.001 0.000 0.225 97 G C -0.149 174.756 174.900 0.007 0.000 1.015 97 G CA -0.308 44.796 45.100 0.006 0.000 0.716 97 G HN 0.583 nan 8.290 nan 0.000 0.508 98 D N -0.378 120.027 120.400 0.008 0.000 2.268 98 D HA 0.557 5.198 4.640 0.001 0.000 0.249 98 D C 0.912 177.218 176.300 0.010 0.000 1.008 98 D CA 0.062 54.069 54.000 0.010 0.000 0.939 98 D CB 2.085 42.891 40.800 0.011 0.000 1.170 98 D HN 0.663 nan 8.370 nan 0.000 0.468 99 V N -0.392 119.530 119.914 0.013 0.000 2.498 99 V HA 0.627 4.748 4.120 0.001 0.000 0.279 99 V C 0.066 176.168 176.094 0.013 0.000 1.048 99 V CA -0.592 61.715 62.300 0.012 0.000 0.967 99 V CB 0.490 32.321 31.823 0.014 0.000 0.988 99 V HN 0.430 nan 8.190 nan 0.000 0.473 100 I N 1.709 122.285 120.570 0.010 0.000 2.828 100 I HA 0.783 4.953 4.170 0.001 0.000 0.302 100 I C -0.047 176.074 176.117 0.006 0.000 1.101 100 I CA -0.706 60.599 61.300 0.009 0.000 1.031 100 I CB 2.206 40.209 38.000 0.005 0.000 1.231 100 I HN 0.460 nan 8.210 nan 0.000 0.427 101 S N 4.569 120.272 115.700 0.006 0.000 2.489 101 S HA 0.582 5.053 4.470 0.001 0.000 0.277 101 S C -0.322 174.273 174.600 -0.008 0.000 1.230 101 S CA -0.351 57.850 58.200 0.002 0.000 1.053 101 S CB 0.500 63.705 63.200 0.008 0.000 0.955 101 S HN 0.631 nan 8.310 nan 0.000 0.488 102 I N 3.288 123.850 120.570 -0.014 0.000 2.412 102 I HA 0.421 4.591 4.170 0.001 0.000 0.296 102 I C -0.425 175.675 176.117 -0.029 0.000 0.987 102 I CA -0.391 60.894 61.300 -0.025 0.000 1.180 102 I CB 1.238 39.223 38.000 -0.026 0.000 1.340 102 I HN 0.552 nan 8.210 nan 0.000 0.455 103 Q N 8.555 128.331 119.800 -0.040 0.000 2.347 103 Q HA 0.535 4.875 4.340 0.001 0.000 0.271 103 Q C -2.590 173.377 176.000 -0.055 0.000 1.064 103 Q CA -2.159 53.620 55.803 -0.040 0.000 0.800 103 Q CB 2.433 31.153 28.738 -0.031 0.000 1.304 103 Q HN 0.320 nan 8.270 nan 0.000 0.438 104 P HA -0.038 nan 4.420 nan 0.000 0.264 104 P C -0.674 176.595 177.300 -0.053 0.000 1.193 104 P CA 0.109 63.171 63.100 -0.063 0.000 0.763 104 P CB 0.529 32.188 31.700 -0.069 0.000 0.810 105 C N 6.682 125.946 119.300 -0.060 0.000 3.414 105 C HA 0.351 4.811 4.460 0.001 0.000 0.208 105 C C -1.520 173.449 174.990 -0.035 0.000 1.422 105 C CA -1.725 57.260 59.018 -0.054 0.000 1.437 105 C CB -0.576 27.093 27.740 -0.117 0.000 1.850 105 C HN 0.432 nan 8.230 nan 0.000 0.481 106 P HA 0.113 nan 4.420 nan 0.000 0.245 106 P C 0.111 177.405 177.300 -0.010 0.000 1.206 106 P CA 1.036 64.125 63.100 -0.018 0.000 0.781 106 P CB -0.021 31.672 31.700 -0.011 0.000 0.994 107 D N 0.574 120.983 120.400 0.015 0.000 2.767 107 D HA 0.180 4.820 4.640 0.001 0.000 0.241 107 D C -0.644 175.694 176.300 0.063 0.000 1.187 107 D CA 0.055 54.074 54.000 0.032 0.000 0.999 107 D CB 0.393 41.221 40.800 0.046 0.000 1.042 107 D HN -0.079 nan 8.370 nan 0.000 0.510 108 V N 1.873 121.790 119.914 0.005 0.000 2.380 108 V HA 0.258 4.379 4.120 0.001 0.000 0.286 108 V C 0.292 176.310 176.094 -0.127 0.000 1.015 108 V CA -1.048 61.258 62.300 0.009 0.000 0.834 108 V CB 1.818 33.645 31.823 0.007 0.000 1.009 108 V HN -0.025 nan 8.190 nan 0.000 0.428 109 K N 2.939 123.290 120.400 -0.082 0.000 2.202 109 K HA 0.503 4.824 4.320 0.001 0.000 0.264 109 K C -0.641 175.883 176.600 -0.127 0.000 1.010 109 K CA -0.244 55.976 56.287 -0.112 0.000 0.940 109 K CB 0.370 32.871 32.500 0.002 0.000 0.983 109 K HN 0.541 nan 8.250 nan 0.000 0.475 110 Y N 0.344 120.683 120.300 0.066 0.000 2.465 110 Y HA 0.191 4.741 4.550 0.001 0.000 0.331 110 Y C 1.376 177.299 175.900 0.039 0.000 1.102 110 Y CA -0.100 58.042 58.100 0.070 0.000 1.358 110 Y CB 0.327 38.839 38.460 0.087 0.000 1.213 110 Y HN 0.606 nan 8.280 nan 0.000 0.525 111 G N 2.453 111.341 108.800 0.147 0.000 2.467 111 G HA2 0.280 4.240 3.960 0.001 0.000 0.257 111 G HA3 0.280 4.240 3.960 0.001 0.000 0.257 111 G C 0.254 175.192 174.900 0.062 0.000 1.227 111 G CA -0.620 44.526 45.100 0.078 0.000 0.835 111 G HN 0.628 nan 8.290 nan 0.000 0.556 112 K N -0.176 120.250 120.400 0.043 0.000 2.373 112 K HA 0.225 4.546 4.320 0.001 0.000 0.200 112 K C 0.659 177.265 176.600 0.009 0.000 1.054 112 K CA 0.225 56.524 56.287 0.020 0.000 1.065 112 K CB 0.745 33.262 32.500 0.028 0.000 0.886 112 K HN 0.455 nan 8.250 nan 0.000 0.546 113 R N 0.778 121.298 120.500 0.034 0.000 2.518 113 R HA 0.400 4.740 4.340 0.001 0.000 0.287 113 R C -1.166 175.190 176.300 0.093 0.000 1.135 113 R CA -0.468 55.685 56.100 0.088 0.000 0.967 113 R CB 1.408 31.799 30.300 0.152 0.000 1.212 113 R HN 0.056 nan 8.270 nan 0.000 0.422 114 I N -1.632 118.985 120.570 0.079 0.000 2.569 114 I HA 0.518 4.689 4.170 0.001 0.000 0.296 114 I C -0.767 175.465 176.117 0.192 0.000 1.028 114 I CA -0.920 60.443 61.300 0.105 0.000 1.082 114 I CB 2.161 40.173 38.000 0.020 0.000 1.264 114 I HN 0.557 nan 8.210 nan 0.000 0.429 115 H N 5.152 124.297 119.070 0.124 0.000 2.551 115 H HA 0.699 5.256 4.556 0.001 0.000 0.321 115 H C -1.057 174.365 175.328 0.156 0.000 1.028 115 H CA -0.682 55.447 56.048 0.136 0.000 1.215 115 H CB 1.456 31.260 29.762 0.070 0.000 1.414 115 H HN 0.672 nan 8.280 nan 0.000 0.480 116 V N 3.944 124.014 119.914 0.260 0.000 2.555 116 V HA 0.589 4.709 4.120 0.001 0.000 0.302 116 V C -0.871 175.415 176.094 0.321 0.000 1.038 116 V CA -0.909 61.583 62.300 0.320 0.000 0.887 116 V CB 1.758 33.792 31.823 0.352 0.000 0.991 116 V HN 0.599 nan 8.190 nan 0.000 0.434 117 L N 5.519 126.928 121.223 0.308 0.000 2.381 117 L HA 0.668 5.008 4.340 0.001 0.000 0.268 117 L C -2.408 174.515 176.870 0.088 0.000 0.997 117 L CA -1.897 53.077 54.840 0.222 0.000 0.818 117 L CB 3.213 45.371 42.059 0.164 0.000 1.310 117 L HN 0.492 nan 8.230 nan 0.000 0.416 118 P HA 0.258 nan 4.420 nan 0.000 0.276 118 P C -0.853 176.242 177.300 -0.342 0.000 1.252 118 P CA -0.271 62.500 63.100 -0.548 0.000 0.802 118 P CB 1.101 32.418 31.700 -0.638 0.000 1.035 119 I N 1.780 122.109 120.570 -0.402 0.000 2.321 119 I HA 0.077 4.248 4.170 0.001 0.000 0.291 119 I C 1.695 177.680 176.117 -0.220 0.000 0.998 119 I CA -0.312 60.837 61.300 -0.251 0.000 1.227 119 I CB 0.963 38.830 38.000 -0.221 0.000 1.368 119 I HN 0.382 nan 8.210 nan 0.000 0.466 120 D N 4.612 124.921 120.400 -0.152 0.000 2.170 120 D HA -0.320 4.320 4.640 0.001 0.000 0.193 120 D C 1.264 177.492 176.300 -0.120 0.000 1.004 120 D CA 1.983 55.910 54.000 -0.122 0.000 0.860 120 D CB -0.339 40.411 40.800 -0.084 0.000 0.931 120 D HN 0.689 nan 8.370 nan 0.000 0.448 121 D N 0.225 120.556 120.400 -0.115 0.000 2.317 121 D HA -0.115 4.525 4.640 0.001 0.000 0.211 121 D C 1.548 177.777 176.300 -0.118 0.000 0.966 121 D CA 1.549 55.489 54.000 -0.100 0.000 0.876 121 D CB -0.986 39.766 40.800 -0.081 0.000 0.927 121 D HN 0.420 nan 8.370 nan 0.000 0.519 122 T N -2.570 111.884 114.554 -0.167 0.000 3.244 122 T HA 0.325 4.675 4.350 0.001 0.000 0.254 122 T C 0.861 175.414 174.700 -0.244 0.000 1.024 122 T CA -0.355 61.624 62.100 -0.201 0.000 0.920 122 T CB 0.220 68.936 68.868 -0.254 0.000 1.042 122 T HN 0.001 nan 8.240 nan 0.000 0.572 123 V N 0.028 119.824 119.914 -0.196 0.000 3.544 123 V HA 0.295 4.416 4.120 0.001 0.000 0.298 123 V C -0.315 175.715 176.094 -0.107 0.000 1.580 123 V CA -0.454 61.731 62.300 -0.192 0.000 1.122 123 V CB 0.515 32.184 31.823 -0.257 0.000 0.951 123 V HN 0.479 nan 8.190 nan 0.000 0.448 124 E N 1.339 121.490 120.200 -0.083 0.000 2.299 124 E HA 0.489 4.839 4.350 0.001 0.000 0.272 124 E C 0.517 177.097 176.600 -0.033 0.000 1.043 124 E CA 0.939 57.308 56.400 -0.052 0.000 0.895 124 E CB 0.764 30.436 29.700 -0.046 0.000 1.011 124 E HN 0.617 nan 8.360 nan 0.000 0.432 125 G N 3.336 112.124 108.800 -0.019 0.000 2.879 125 G HA2 -0.191 3.769 3.960 0.001 0.000 0.686 125 G HA3 -0.191 3.769 3.960 0.001 0.000 0.686 125 G C -0.174 174.732 174.900 0.011 0.000 1.115 125 G CA -0.733 44.365 45.100 -0.003 0.000 0.770 125 G HN 0.777 nan 8.290 nan 0.000 0.601 126 I N 0.981 121.564 120.570 0.021 0.000 3.563 126 I HA -0.261 3.909 4.170 0.001 0.000 0.126 126 I C 1.648 177.800 176.117 0.058 0.000 0.984 126 I CA 2.078 63.400 61.300 0.038 0.000 2.746 126 I CB -0.450 37.574 38.000 0.041 0.000 1.175 126 I HN 1.030 nan 8.210 nan 0.000 0.343 127 T N 5.103 119.690 114.554 0.054 0.000 2.777 127 T HA 0.070 4.421 4.350 0.001 0.000 0.266 127 T C 1.796 176.565 174.700 0.114 0.000 1.040 127 T CA 1.368 63.513 62.100 0.076 0.000 1.141 127 T CB -0.571 68.333 68.868 0.060 0.000 0.868 127 T HN 1.279 nan 8.240 nan 0.000 0.444 128 G N 2.425 111.278 108.800 0.088 0.000 3.773 128 G HA2 -0.370 3.590 3.960 0.001 0.000 0.355 128 G HA3 -0.370 3.590 3.960 0.001 0.000 0.355 128 G C 0.271 175.230 174.900 0.098 0.000 1.323 128 G CA 0.849 45.999 45.100 0.083 0.000 1.103 128 G HN 0.737 nan 8.290 nan 0.000 0.716 129 N N -0.195 118.585 118.700 0.133 0.000 2.537 129 N HA 0.333 5.073 4.740 0.001 0.000 0.281 129 N C 0.996 176.653 175.510 0.246 0.000 1.097 129 N CA -0.131 53.020 53.050 0.169 0.000 0.964 129 N CB 1.393 39.971 38.487 0.152 0.000 1.588 129 N HN 0.250 nan 8.380 nan 0.000 0.511 130 L N 2.494 123.895 121.223 0.297 0.000 2.093 130 L HA -0.002 4.338 4.340 0.001 0.000 0.208 130 L C 2.101 179.226 176.870 0.425 0.000 1.085 130 L CA 1.241 56.338 54.840 0.427 0.000 0.755 130 L CB -0.336 41.947 42.059 0.374 0.000 0.904 130 L HN 0.545 nan 8.230 nan 0.000 0.435 131 F N 0.789 120.852 119.950 0.189 0.000 2.206 131 F HA -0.173 4.355 4.527 0.001 0.000 0.298 131 F C 2.486 178.352 175.800 0.109 0.000 1.090 131 F CA 1.386 59.461 58.000 0.124 0.000 1.323 131 F CB 0.191 39.233 39.000 0.070 0.000 1.028 131 F HN -0.022 nan 8.300 nan 0.000 0.492 132 E N 0.073 120.238 120.200 -0.058 0.000 2.076 132 E HA -0.085 4.265 4.350 0.001 0.000 0.190 132 E C 2.055 178.538 176.600 -0.194 0.000 0.979 132 E CA 1.501 57.788 56.400 -0.187 0.000 0.807 132 E CB -0.329 29.375 29.700 0.006 0.000 0.761 132 E HN 0.275 nan 8.360 nan 0.000 0.454 133 V N -0.249 119.594 119.914 -0.119 0.000 2.488 133 V HA -0.131 3.989 4.120 0.001 0.000 0.246 133 V C 1.368 177.183 176.094 -0.464 0.000 1.046 133 V CA 1.576 63.693 62.300 -0.305 0.000 1.053 133 V CB -0.401 31.196 31.823 -0.376 0.000 0.679 133 V HN 0.275 nan 8.190 nan 0.000 0.458 134 Y N -1.178 119.113 120.300 -0.015 0.000 2.569 134 Y HA 0.279 4.829 4.550 0.001 0.000 0.278 134 Y C 2.008 177.857 175.900 -0.085 0.000 1.130 134 Y CA 0.197 58.301 58.100 0.007 0.000 1.280 134 Y CB -0.220 38.343 38.460 0.173 0.000 1.379 134 Y HN -0.030 nan 8.280 nan 0.000 0.508 135 L N 0.345 121.574 121.223 0.009 0.000 2.072 135 L HA -0.115 4.225 4.340 0.001 0.000 0.205 135 L C 2.421 179.308 176.870 0.029 0.000 1.079 135 L CA 1.380 56.241 54.840 0.034 0.000 0.752 135 L CB -0.358 41.822 42.059 0.203 0.000 0.906 135 L HN 0.121 nan 8.230 nan 0.000 0.436 136 K N 0.305 120.462 120.400 -0.404 0.000 2.002 136 K HA -0.146 4.174 4.320 0.001 0.000 0.209 136 K C -0.530 175.987 176.600 -0.139 0.000 1.048 136 K CA 1.503 57.543 56.287 -0.411 0.000 0.930 136 K CB -0.801 31.230 32.500 -0.781 0.000 0.714 136 K HN 0.191 nan 8.250 nan 0.000 0.438 137 P HA -0.171 nan 4.420 nan 0.000 0.222 137 P C 1.050 178.324 177.300 -0.043 0.000 1.147 137 P CA 1.120 64.174 63.100 -0.076 0.000 0.790 137 P CB -0.124 31.527 31.700 -0.081 0.000 0.780 138 Y N -0.171 120.025 120.300 -0.174 0.000 2.263 138 Y HA -0.077 4.474 4.550 0.001 0.000 0.292 138 Y C 1.764 177.429 175.900 -0.390 0.000 1.130 138 Y CA 1.594 59.512 58.100 -0.304 0.000 1.179 138 Y CB -0.561 37.647 38.460 -0.419 0.000 0.998 138 Y HN -0.251 nan 8.280 nan 0.000 0.532 139 F N -0.815 119.082 119.950 -0.089 0.000 2.731 139 F HA 0.171 4.698 4.527 0.001 0.000 0.298 139 F C 0.379 176.084 175.800 -0.158 0.000 1.106 139 F CA -0.407 57.496 58.000 -0.160 0.000 1.329 139 F CB -0.230 38.749 39.000 -0.035 0.000 1.100 139 F HN -0.150 nan 8.300 nan 0.000 0.592 140 L N 2.271 123.509 121.223 0.025 0.000 2.654 140 L HA -0.010 4.330 4.340 0.001 0.000 0.271 140 L C 0.958 177.791 176.870 -0.061 0.000 1.169 140 L CA 0.200 55.026 54.840 -0.024 0.000 0.947 140 L CB -0.440 41.596 42.059 -0.037 0.000 1.232 140 L HN 0.280 nan 8.230 nan 0.000 0.486 141 E N 2.027 122.160 120.200 -0.112 0.000 3.370 141 E HA -0.344 4.007 4.350 0.001 0.000 0.291 141 E C 1.106 177.674 176.600 -0.054 0.000 0.916 141 E CA 1.029 57.352 56.400 -0.129 0.000 0.981 141 E CB -1.649 28.037 29.700 -0.023 0.000 1.498 141 E HN 0.845 nan 8.360 nan 0.000 0.452 142 A N -0.413 122.362 122.820 -0.074 0.000 2.119 142 A HA 0.025 4.346 4.320 0.001 0.000 0.216 142 A C 0.532 178.186 177.584 0.118 0.000 1.152 142 A CA 0.719 52.750 52.037 -0.010 0.000 0.708 142 A CB -0.402 18.527 19.000 -0.118 0.000 0.805 142 A HN 0.340 nan 8.150 nan 0.000 0.460 143 Y N -0.144 120.191 120.300 0.057 0.000 2.981 143 Y HA -0.235 4.315 4.550 0.001 0.000 0.204 143 Y C 0.611 176.549 175.900 0.063 0.000 1.265 143 Y CA 0.525 58.679 58.100 0.090 0.000 0.941 143 Y CB -1.645 36.881 38.460 0.109 0.000 1.254 143 Y HN 0.373 nan 8.280 nan 0.000 0.469 144 R N 2.162 122.759 120.500 0.162 0.000 2.298 144 R HA 0.224 4.564 4.340 0.001 0.000 0.310 144 R C -2.239 174.130 176.300 0.114 0.000 1.068 144 R CA -1.573 54.596 56.100 0.114 0.000 0.957 144 R CB 0.524 30.907 30.300 0.137 0.000 1.003 144 R HN 0.053 nan 8.270 nan 0.000 0.454 145 P HA 0.188 nan 4.420 nan 0.000 0.280 145 P C -0.737 176.601 177.300 0.063 0.000 1.244 145 P CA -0.184 62.947 63.100 0.053 0.000 0.784 145 P CB 0.696 32.398 31.700 0.005 0.000 0.913 146 I N -0.635 119.990 120.570 0.091 0.000 2.769 146 I HA 0.643 4.814 4.170 0.001 0.000 0.298 146 I C -0.480 175.732 176.117 0.159 0.000 1.128 146 I CA -1.391 59.978 61.300 0.114 0.000 1.031 146 I CB 2.930 41.008 38.000 0.130 0.000 1.235 146 I HN 0.088 nan 8.210 nan 0.000 0.423 147 R N 2.626 123.228 120.500 0.170 0.000 2.598 147 R HA 0.417 4.758 4.340 0.001 0.000 0.279 147 R C -0.412 176.005 176.300 0.195 0.000 0.984 147 R CA -1.056 55.175 56.100 0.218 0.000 0.999 147 R CB 1.696 32.112 30.300 0.194 0.000 1.114 147 R HN 0.719 nan 8.270 nan 0.000 0.493 148 K N 0.627 121.131 120.400 0.172 0.000 2.511 148 K HA -0.071 4.249 4.320 0.001 0.000 0.280 148 K C 0.576 177.254 176.600 0.131 0.000 1.008 148 K CA 1.675 58.044 56.287 0.137 0.000 1.050 148 K CB 0.191 32.746 32.500 0.093 0.000 0.889 148 K HN 0.841 nan 8.250 nan 0.000 0.484 149 G N 3.047 111.925 108.800 0.130 0.000 2.175 149 G HA2 -0.217 3.743 3.960 0.001 0.000 0.244 149 G HA3 -0.217 3.743 3.960 0.001 0.000 0.244 149 G C -0.462 174.514 174.900 0.127 0.000 0.982 149 G CA 0.103 45.267 45.100 0.106 0.000 0.641 149 G HN 0.724 nan 8.290 nan 0.000 0.527 150 D N 0.584 121.093 120.400 0.182 0.000 2.450 150 D HA 0.381 5.022 4.640 0.001 0.000 0.247 150 D C 0.655 177.109 176.300 0.256 0.000 1.162 150 D CA 0.363 54.500 54.000 0.229 0.000 0.879 150 D CB 0.604 41.585 40.800 0.301 0.000 1.163 150 D HN 0.298 nan 8.370 nan 0.000 0.472 151 I N 4.413 125.088 120.570 0.175 0.000 2.306 151 I HA 0.224 4.394 4.170 0.001 0.000 0.288 151 I C -0.156 176.051 176.117 0.150 0.000 1.036 151 I CA -0.744 60.609 61.300 0.088 0.000 1.221 151 I CB -0.040 37.970 38.000 0.017 0.000 1.385 151 I HN 0.131 nan 8.210 nan 0.000 0.472 152 F N 5.869 125.862 119.950 0.072 0.000 2.522 152 F HA 0.829 5.356 4.527 0.001 0.000 0.324 152 F C -1.074 174.726 175.800 0.002 0.000 1.077 152 F CA -1.516 56.502 58.000 0.030 0.000 0.944 152 F CB 1.000 40.010 39.000 0.016 0.000 1.175 152 F HN 0.213 nan 8.300 nan 0.000 0.468 153 L N 3.603 124.889 121.223 0.104 0.000 2.325 153 L HA 0.802 5.142 4.340 0.001 0.000 0.279 153 L C -1.121 175.782 176.870 0.055 0.000 1.054 153 L CA -0.584 54.274 54.840 0.029 0.000 0.804 153 L CB 1.676 43.758 42.059 0.038 0.000 1.200 153 L HN 0.656 nan 8.230 nan 0.000 0.436 154 V N 4.815 124.775 119.914 0.076 0.000 2.638 154 V HA 0.582 4.703 4.120 0.001 0.000 0.306 154 V C -0.517 175.731 176.094 0.257 0.000 1.052 154 V CA -0.831 61.548 62.300 0.131 0.000 0.885 154 V CB 1.901 33.787 31.823 0.106 0.000 0.999 154 V HN 0.685 nan 8.190 nan 0.000 0.424 155 R N 2.735 123.373 120.500 0.229 0.000 2.312 155 R HA 0.731 5.072 4.340 0.001 0.000 0.311 155 R C 0.107 176.504 176.300 0.161 0.000 1.004 155 R CA -0.531 55.691 56.100 0.203 0.000 0.902 155 R CB 1.849 32.218 30.300 0.116 0.000 1.073 155 R HN 0.911 nan 8.270 nan 0.000 0.457 156 G N 1.060 109.944 108.800 0.139 0.000 2.738 156 G HA2 0.443 4.403 3.960 0.001 0.000 0.281 156 G HA3 0.443 4.403 3.960 0.001 0.000 0.281 156 G C 0.523 175.346 174.900 -0.128 0.000 1.527 156 G CA 0.015 44.978 45.100 -0.229 0.000 1.132 156 G HN 0.778 nan 8.290 nan 0.000 0.569 157 G N 3.357 112.108 108.800 -0.082 0.000 2.698 157 G HA2 -0.421 3.540 3.960 0.001 0.000 0.337 157 G HA3 -0.421 3.540 3.960 0.001 0.000 0.337 157 G C 1.881 176.788 174.900 0.012 0.000 1.196 157 G CA 2.414 47.491 45.100 -0.038 0.000 0.965 157 G HN 1.684 nan 8.290 nan 0.000 0.550 158 M N 0.655 120.272 119.600 0.029 0.000 2.108 158 M HA 0.057 4.537 4.480 0.001 0.000 0.257 158 M C 1.339 177.676 176.300 0.061 0.000 1.071 158 M CA 2.778 58.105 55.300 0.045 0.000 1.093 158 M CB -0.490 32.140 32.600 0.051 0.000 1.345 158 M HN 0.960 nan 8.290 nan 0.000 0.403 159 R N -0.176 120.389 120.500 0.109 0.000 2.741 159 R HA 0.788 5.128 4.340 0.001 0.000 0.274 159 R C -1.996 174.408 176.300 0.172 0.000 1.029 159 R CA -0.582 55.579 56.100 0.102 0.000 0.880 159 R CB 0.946 31.278 30.300 0.053 0.000 1.264 159 R HN 0.072 nan 8.270 nan 0.000 0.465 160 A N 1.166 124.041 122.820 0.091 0.000 2.292 160 A HA 0.634 4.954 4.320 0.001 0.000 0.319 160 A C -0.594 176.953 177.584 -0.063 0.000 1.206 160 A CA -0.727 51.358 52.037 0.080 0.000 0.835 160 A CB 1.466 20.500 19.000 0.057 0.000 1.164 160 A HN 0.369 nan 8.150 nan 0.000 0.505 161 V N 2.354 122.170 119.914 -0.164 0.000 2.581 161 V HA 0.344 4.464 4.120 0.001 0.000 0.303 161 V C 0.127 175.977 176.094 -0.406 0.000 1.041 161 V CA -0.584 61.450 62.300 -0.443 0.000 0.907 161 V CB 1.641 32.928 31.823 -0.893 0.000 0.994 161 V HN 0.997 nan 8.190 nan 0.000 0.442 162 E N 2.466 122.366 120.200 -0.500 0.000 2.216 162 E HA 0.572 4.923 4.350 0.001 0.000 0.279 162 E C -1.593 174.579 176.600 -0.713 0.000 0.997 162 E CA -0.245 55.893 56.400 -0.436 0.000 0.817 162 E CB 1.422 30.956 29.700 -0.278 0.000 1.096 162 E HN 0.504 nan 8.360 nan 0.000 0.393 163 F N 1.739 121.339 119.950 -0.583 0.000 2.551 163 F HA 0.382 4.909 4.527 0.001 0.000 0.316 163 F C 0.167 175.638 175.800 -0.547 0.000 1.089 163 F CA -0.877 56.735 58.000 -0.647 0.000 0.915 163 F CB 1.716 40.088 39.000 -1.047 0.000 1.186 163 F HN 0.125 nan 8.300 nan 0.000 0.456 164 K N 2.005 122.372 120.400 -0.055 0.000 2.221 164 K HA 0.607 4.927 4.320 0.001 0.000 0.258 164 K C -1.356 175.357 176.600 0.188 0.000 0.944 164 K CA -0.611 55.705 56.287 0.049 0.000 0.823 164 K CB 1.676 34.196 32.500 0.034 0.000 1.113 164 K HN 0.496 nan 8.250 nan 0.000 0.431 165 V N 5.715 125.793 119.914 0.274 0.000 2.370 165 V HA 0.003 4.124 4.120 0.001 0.000 0.257 165 V C 1.135 177.346 176.094 0.195 0.000 1.064 165 V CA -0.158 62.326 62.300 0.306 0.000 0.975 165 V CB 0.770 32.797 31.823 0.341 0.000 1.067 165 V HN 0.689 nan 8.190 nan 0.000 0.485 166 V N 3.095 123.119 119.914 0.185 0.000 2.535 166 V HA 0.104 4.224 4.120 0.001 0.000 0.246 166 V C 0.721 176.847 176.094 0.053 0.000 1.045 166 V CA 1.058 63.412 62.300 0.089 0.000 1.058 166 V CB -0.099 31.743 31.823 0.031 0.000 0.689 166 V HN 0.874 nan 8.190 nan 0.000 0.461 167 E N -0.238 120.023 120.200 0.102 0.000 2.363 167 E HA 0.488 4.839 4.350 0.001 0.000 0.281 167 E C -0.646 176.019 176.600 0.107 0.000 0.953 167 E CA -0.246 56.197 56.400 0.072 0.000 0.778 167 E CB 1.928 31.637 29.700 0.015 0.000 1.220 167 E HN 0.316 nan 8.360 nan 0.000 0.431 168 T N 0.165 114.762 114.554 0.072 0.000 2.910 168 T HA 0.487 4.838 4.350 0.001 0.000 0.287 168 T C 0.284 175.009 174.700 0.041 0.000 1.050 168 T CA -0.555 61.585 62.100 0.066 0.000 1.011 168 T CB 1.589 70.496 68.868 0.065 0.000 1.195 168 T HN 0.313 nan 8.240 nan 0.000 0.540 169 D N 0.454 120.876 120.400 0.037 0.000 2.214 169 D HA 0.249 4.890 4.640 0.001 0.000 0.217 169 D C -1.620 174.686 176.300 0.010 0.000 0.973 169 D CA 0.304 54.322 54.000 0.030 0.000 0.880 169 D CB -1.192 39.632 40.800 0.039 0.000 1.031 169 D HN 0.444 nan 8.370 nan 0.000 0.468 170 P HA 0.204 nan 4.420 nan 0.000 0.274 170 P C 0.664 177.919 177.300 -0.075 0.000 1.237 170 P CA -0.146 62.934 63.100 -0.034 0.000 0.793 170 P CB 1.127 32.806 31.700 -0.033 0.000 0.977 171 S N 2.342 117.971 115.700 -0.117 0.000 2.460 171 S HA -0.174 4.297 4.470 0.001 0.000 0.241 171 S C -0.774 173.743 174.600 -0.139 0.000 1.051 171 S CA 2.199 60.322 58.200 -0.128 0.000 1.223 171 S CB -1.782 61.335 63.200 -0.137 0.000 1.160 171 S HN 0.624 nan 8.310 nan 0.000 0.424 172 P HA 0.249 nan 4.420 nan 0.000 0.242 172 P C -0.592 176.679 177.300 -0.049 0.000 1.176 172 P CA 0.374 63.370 63.100 -0.173 0.000 0.859 172 P CB 0.243 31.818 31.700 -0.208 0.000 1.010 173 Y N -0.771 119.543 120.300 0.023 0.000 2.534 173 Y HA 0.671 5.222 4.550 0.001 0.000 0.345 173 Y C -0.530 175.375 175.900 0.009 0.000 1.031 173 Y CA -2.163 55.950 58.100 0.022 0.000 1.022 173 Y CB 0.461 38.933 38.460 0.021 0.000 1.292 173 Y HN 0.025 nan 8.280 nan 0.000 0.459 174 C N 1.128 120.551 119.300 0.204 0.000 3.241 174 C HA 0.834 5.294 4.460 0.001 0.000 0.312 174 C C -0.703 174.339 174.990 0.087 0.000 1.350 174 C CA -1.204 57.882 59.018 0.113 0.000 1.415 174 C CB 0.948 28.729 27.740 0.068 0.000 1.770 174 C HN 0.973 nan 8.230 nan 0.000 0.466 175 I N 2.017 122.613 120.570 0.044 0.000 2.395 175 I HA 0.294 4.465 4.170 0.001 0.000 0.289 175 I C 0.097 176.287 176.117 0.121 0.000 1.023 175 I CA -0.229 61.118 61.300 0.078 0.000 1.350 175 I CB 1.599 39.618 38.000 0.032 0.000 1.409 175 I HN 0.571 nan 8.210 nan 0.000 0.507 176 V N 7.512 127.468 119.914 0.071 0.000 2.287 176 V HA 0.249 4.369 4.120 0.001 0.000 0.246 176 V C 0.877 176.942 176.094 -0.048 0.000 1.165 176 V CA -0.359 61.906 62.300 -0.059 0.000 1.088 176 V CB -0.302 31.334 31.823 -0.312 0.000 1.242 176 V HN 0.833 nan 8.190 nan 0.000 0.497 177 A N 7.687 130.521 122.820 0.023 0.000 2.296 177 A HA 0.572 4.892 4.320 0.001 0.000 0.264 177 A C -0.683 176.750 177.584 -0.251 0.000 1.097 177 A CA -1.288 50.650 52.037 -0.164 0.000 0.811 177 A CB -0.011 19.035 19.000 0.077 0.000 1.072 177 A HN 0.569 nan 8.150 nan 0.000 0.495 178 P HA -0.110 nan 4.420 nan 0.000 0.231 178 P C -0.060 177.173 177.300 -0.112 0.000 1.158 178 P CA 1.375 64.366 63.100 -0.183 0.000 0.763 178 P CB -0.042 31.558 31.700 -0.167 0.000 0.805 179 D N -0.914 119.424 120.400 -0.104 0.000 2.194 179 D HA -0.052 4.588 4.640 0.001 0.000 0.204 179 D C 0.351 176.611 176.300 -0.068 0.000 0.964 179 D CA 0.868 54.825 54.000 -0.071 0.000 0.846 179 D CB -0.690 40.077 40.800 -0.055 0.000 0.962 179 D HN 0.125 nan 8.370 nan 0.000 0.490 180 T N 1.301 115.809 114.554 -0.078 0.000 2.829 180 T HA 0.151 4.502 4.350 0.001 0.000 0.293 180 T C 0.320 174.932 174.700 -0.146 0.000 0.970 180 T CA -0.338 61.703 62.100 -0.098 0.000 1.168 180 T CB 1.121 69.909 68.868 -0.133 0.000 0.911 180 T HN -0.203 nan 8.240 nan 0.000 0.535 181 V N 5.503 125.317 119.914 -0.167 0.000 2.470 181 V HA 0.153 4.274 4.120 0.001 0.000 0.276 181 V C 0.591 176.478 176.094 -0.345 0.000 1.040 181 V CA -0.208 61.908 62.300 -0.306 0.000 1.008 181 V CB 0.122 31.726 31.823 -0.366 0.000 0.990 181 V HN 0.758 nan 8.190 nan 0.000 0.477 182 I N 5.879 126.209 120.570 -0.401 0.000 2.313 182 I HA 0.269 4.439 4.170 0.001 0.000 0.286 182 I C 0.354 176.261 176.117 -0.350 0.000 1.091 182 I CA -0.242 60.891 61.300 -0.279 0.000 1.216 182 I CB -0.093 37.870 38.000 -0.061 0.000 1.434 182 I HN 0.575 nan 8.210 nan 0.000 0.487 183 H N 4.891 123.844 119.070 -0.195 0.000 2.683 183 H HA 0.161 4.718 4.556 0.001 0.000 0.339 183 H C 0.543 175.715 175.328 -0.259 0.000 1.081 183 H CA -0.154 55.737 56.048 -0.262 0.000 1.432 183 H CB 1.610 31.192 29.762 -0.300 0.000 1.462 183 H HN 0.823 nan 8.280 nan 0.000 0.557 184 C N 0.387 119.637 119.300 -0.083 0.000 3.722 184 C HA 0.198 4.658 4.460 0.001 0.000 0.279 184 C C -0.016 174.973 174.990 -0.002 0.000 1.819 184 C CA -0.845 58.165 59.018 -0.013 0.000 1.744 184 C CB -1.094 26.740 27.740 0.157 0.000 3.247 184 C HN 0.699 nan 8.230 nan 0.000 0.549 185 E N 2.089 122.254 120.200 -0.058 0.000 2.414 185 E HA 0.556 4.906 4.350 0.001 0.000 0.263 185 E C 0.631 177.259 176.600 0.046 0.000 1.000 185 E CA 0.964 57.364 56.400 -0.001 0.000 0.914 185 E CB -0.044 29.658 29.700 0.003 0.000 0.948 185 E HN 1.214 nan 8.360 nan 0.000 0.444 186 G N 1.164 110.011 108.800 0.078 0.000 2.359 186 G HA2 0.030 3.990 3.960 0.001 0.000 0.303 186 G HA3 0.030 3.990 3.960 0.001 0.000 0.303 186 G C -1.294 173.651 174.900 0.075 0.000 1.293 186 G CA -1.106 44.059 45.100 0.108 0.000 0.964 186 G HN 0.450 nan 8.290 nan 0.000 0.531 187 E N 0.892 121.128 120.200 0.060 0.000 2.414 187 E HA 0.271 4.622 4.350 0.001 0.000 0.263 187 E C -2.028 174.583 176.600 0.019 0.000 1.000 187 E CA -0.881 55.536 56.400 0.028 0.000 0.914 187 E CB 0.707 30.416 29.700 0.015 0.000 0.948 187 E HN 0.163 nan 8.360 nan 0.000 0.444 188 P HA 0.032 nan 4.420 nan 0.000 0.267 188 P C -0.097 177.177 177.300 -0.042 0.000 1.209 188 P CA -0.138 62.938 63.100 -0.041 0.000 0.763 188 P CB 0.328 31.989 31.700 -0.065 0.000 0.816 189 I N 3.517 124.057 120.570 -0.049 0.000 2.668 189 I HA -0.041 4.129 4.170 0.001 0.000 0.285 189 I C 1.154 177.233 176.117 -0.063 0.000 1.168 189 I CA 0.357 61.629 61.300 -0.047 0.000 1.424 189 I CB -0.480 37.493 38.000 -0.046 0.000 1.377 189 I HN 0.302 nan 8.210 nan 0.000 0.560 190 K N 5.764 126.134 120.400 -0.050 0.000 2.368 190 K HA 0.022 4.342 4.320 0.001 0.000 0.282 190 K C 1.116 177.682 176.600 -0.056 0.000 1.035 190 K CA -0.282 55.974 56.287 -0.052 0.000 0.973 190 K CB 1.030 33.505 32.500 -0.040 0.000 0.957 190 K HN 0.322 nan 8.250 nan 0.000 0.474 191 R N 2.923 123.386 120.500 -0.062 0.000 2.105 191 R HA -0.181 4.160 4.340 0.001 0.000 0.239 191 R C 1.123 177.392 176.300 -0.051 0.000 1.135 191 R CA 1.844 57.907 56.100 -0.063 0.000 0.967 191 R CB 0.010 30.271 30.300 -0.065 0.000 0.861 191 R HN 0.684 nan 8.270 nan 0.000 0.442 192 E N -0.090 120.083 120.200 -0.045 0.000 2.160 192 E HA -0.193 4.157 4.350 0.001 0.000 0.195 192 E C 1.311 177.887 176.600 -0.039 0.000 0.991 192 E CA 1.375 57.751 56.400 -0.040 0.000 0.810 192 E CB -0.098 29.581 29.700 -0.035 0.000 0.742 192 E HN 0.462 nan 8.360 nan 0.000 0.466 193 D N 0.791 121.167 120.400 -0.040 0.000 2.097 193 D HA -0.145 4.495 4.640 0.001 0.000 0.195 193 D C 1.770 178.047 176.300 -0.040 0.000 0.989 193 D CA 0.938 54.915 54.000 -0.039 0.000 0.827 193 D CB -0.145 40.633 40.800 -0.036 0.000 0.966 193 D HN 0.109 nan 8.370 nan 0.000 0.456 194 E N 0.661 120.836 120.200 -0.041 0.000 2.285 194 E HA -0.075 4.275 4.350 0.001 0.000 0.194 194 E C 1.895 178.471 176.600 -0.040 0.000 0.997 194 E CA 0.342 56.718 56.400 -0.039 0.000 0.845 194 E CB 0.076 29.750 29.700 -0.042 0.000 0.782 194 E HN 0.418 nan 8.360 nan 0.000 0.491 195 E N 0.701 120.876 120.200 -0.042 0.000 2.072 195 E HA -0.169 4.181 4.350 0.001 0.000 0.190 195 E C 1.902 178.476 176.600 -0.043 0.000 0.982 195 E CA 0.686 57.062 56.400 -0.041 0.000 0.803 195 E CB -0.026 29.650 29.700 -0.039 0.000 0.755 195 E HN 0.218 nan 8.360 nan 0.000 0.453 196 E N 0.652 120.826 120.200 -0.044 0.000 2.204 196 E HA -0.092 4.259 4.350 0.001 0.000 0.195 196 E C 2.026 178.593 176.600 -0.055 0.000 0.990 196 E CA 0.836 57.206 56.400 -0.049 0.000 0.821 196 E CB -0.001 29.671 29.700 -0.047 0.000 0.750 196 E HN -0.022 nan 8.360 nan 0.000 0.477 197 S N -1.030 114.640 115.700 -0.050 0.000 2.388 197 S HA 0.072 4.543 4.470 0.001 0.000 0.223 197 S C 1.721 176.291 174.600 -0.052 0.000 1.034 197 S CA 0.275 58.444 58.200 -0.051 0.000 0.963 197 S CB -0.130 63.046 63.200 -0.040 0.000 0.827 197 S HN 0.259 nan 8.310 nan 0.000 0.481 198 L N 1.371 122.567 121.223 -0.044 0.000 2.042 198 L HA -0.064 4.276 4.340 0.001 0.000 0.210 198 L C 0.742 177.580 176.870 -0.052 0.000 1.076 198 L CA 1.231 56.046 54.840 -0.042 0.000 0.749 198 L CB -0.340 41.698 42.059 -0.035 0.000 0.893 198 L HN 0.256 nan 8.230 nan 0.000 0.432 199 N N -0.187 118.479 118.700 -0.056 0.000 2.378 199 N HA 0.066 4.807 4.740 0.001 0.000 0.243 199 N C -0.545 174.919 175.510 -0.077 0.000 1.137 199 N CA -0.020 52.991 53.050 -0.065 0.000 0.862 199 N CB 0.165 38.617 38.487 -0.059 0.000 1.116 199 N HN 0.233 nan 8.380 nan 0.000 0.499 200 E N 0.216 120.365 120.200 -0.085 0.000 2.360 200 E HA 0.092 4.442 4.350 0.001 0.000 0.269 200 E C -0.176 176.350 176.600 -0.123 0.000 1.022 200 E CA -0.248 56.087 56.400 -0.109 0.000 0.887 200 E CB 1.261 30.892 29.700 -0.116 0.000 0.990 200 E HN -0.020 nan 8.360 nan 0.000 0.426 201 V N 2.913 122.742 119.914 -0.142 0.000 2.655 201 V HA 0.243 4.363 4.120 0.001 0.000 0.300 201 V C 0.833 176.812 176.094 -0.192 0.000 1.044 201 V CA 0.373 62.586 62.300 -0.146 0.000 1.095 201 V CB 1.043 32.784 31.823 -0.136 0.000 0.952 201 V HN 0.793 nan 8.190 nan 0.000 0.485 202 G N 2.183 110.881 108.800 -0.169 0.000 3.140 202 G HA2 0.435 4.396 3.960 0.001 0.000 0.271 202 G HA3 0.435 4.396 3.960 0.001 0.000 0.271 202 G C -0.004 174.805 174.900 -0.153 0.000 1.370 202 G CA -0.500 44.457 45.100 -0.238 0.000 1.014 202 G HN 0.597 nan 8.290 nan 0.000 0.541 203 Y N -0.493 119.784 120.300 -0.038 0.000 2.333 203 Y HA -0.104 4.446 4.550 0.000 0.000 0.290 203 Y C 2.346 178.235 175.900 -0.017 0.000 1.144 203 Y CA 0.899 58.985 58.100 -0.022 0.000 1.228 203 Y CB 0.355 38.809 38.460 -0.009 0.000 0.985 203 Y HN 0.281 nan 8.280 nan 0.000 0.542 204 D N -0.212 120.256 120.400 0.115 0.000 2.269 204 D HA -0.134 4.506 4.640 0.001 0.000 0.208 204 D C 1.147 177.466 176.300 0.031 0.000 0.963 204 D CA 1.013 55.050 54.000 0.061 0.000 0.864 204 D CB -0.289 40.531 40.800 0.033 0.000 0.936 204 D HN 0.442 nan 8.370 nan 0.000 0.505 205 D N 0.086 120.494 120.400 0.012 0.000 2.355 205 D HA 0.012 4.653 4.640 0.001 0.000 0.218 205 D C 0.613 176.923 176.300 0.018 0.000 1.004 205 D CA 0.046 54.036 54.000 -0.016 0.000 0.880 205 D CB 0.782 41.550 40.800 -0.054 0.000 0.911 205 D HN 0.253 nan 8.370 nan 0.000 0.528 206 I N 0.174 120.777 120.570 0.054 0.000 2.382 206 I HA 0.480 4.650 4.170 0.001 0.000 0.286 206 I C -0.168 175.988 176.117 0.065 0.000 1.002 206 I CA -0.377 60.965 61.300 0.070 0.000 1.135 206 I CB 1.719 39.771 38.000 0.088 0.000 1.288 206 I HN -0.188 nan 8.210 nan 0.000 0.448 207 G N 3.855 112.692 108.800 0.061 0.000 2.473 207 G HA2 0.540 4.500 3.960 0.001 0.000 0.321 207 G HA3 0.540 4.500 3.960 0.001 0.000 0.321 207 G C 0.412 175.335 174.900 0.038 0.000 1.200 207 G CA -0.538 44.592 45.100 0.049 0.000 0.963 207 G HN 1.548 nan 8.290 nan 0.000 0.483 208 G N -1.515 107.301 108.800 0.026 0.000 2.153 208 G HA2 -0.268 3.692 3.960 0.001 0.000 0.252 208 G HA3 -0.268 3.692 3.960 0.001 0.000 0.252 208 G C 0.594 175.498 174.900 0.008 0.000 0.994 208 G CA 0.607 45.717 45.100 0.017 0.000 0.698 208 G HN 1.173 nan 8.290 nan 0.000 0.521 209 C N -0.069 119.236 119.300 0.008 0.000 3.101 209 C HA 0.373 4.834 4.460 0.001 0.000 0.253 209 C C 2.178 177.160 174.990 -0.013 0.000 1.754 209 C CA -0.235 58.782 59.018 -0.002 0.000 1.756 209 C CB -0.602 27.143 27.740 0.008 0.000 3.227 209 C HN 0.606 nan 8.230 nan 0.000 0.483 210 R N 2.323 122.816 120.500 -0.013 0.000 2.094 210 R HA -0.177 4.164 4.340 0.001 0.000 0.239 210 R C 2.232 178.515 176.300 -0.028 0.000 1.137 210 R CA 1.733 57.819 56.100 -0.023 0.000 0.943 210 R CB -0.070 30.222 30.300 -0.014 0.000 0.850 210 R HN 0.648 nan 8.270 nan 0.000 0.433 211 K N 0.144 120.534 120.400 -0.017 0.000 2.148 211 K HA -0.149 4.171 4.320 0.001 0.000 0.204 211 K C 1.838 178.430 176.600 -0.014 0.000 1.050 211 K CA 1.322 57.601 56.287 -0.013 0.000 0.942 211 K CB -0.070 32.428 32.500 -0.005 0.000 0.724 211 K HN 0.141 nan 8.250 nan 0.000 0.446 212 Q N 1.146 120.935 119.800 -0.018 0.000 2.137 212 Q HA 0.115 4.455 4.340 0.001 0.000 0.198 212 Q C 2.133 178.122 176.000 -0.019 0.000 0.960 212 Q CA 0.838 56.633 55.803 -0.014 0.000 0.847 212 Q CB -0.083 28.644 28.738 -0.019 0.000 0.915 212 Q HN 0.236 nan 8.270 nan 0.000 0.448 213 L N -0.153 121.042 121.223 -0.048 0.000 2.093 213 L HA -0.146 4.194 4.340 0.001 0.000 0.208 213 L C 2.291 179.088 176.870 -0.120 0.000 1.085 213 L CA 0.901 55.672 54.840 -0.115 0.000 0.755 213 L CB -0.545 41.403 42.059 -0.185 0.000 0.904 213 L HN 0.253 nan 8.230 nan 0.000 0.435 214 A N -0.417 122.359 122.820 -0.074 0.000 1.883 214 A HA -0.273 4.047 4.320 0.001 0.000 0.217 214 A C 2.206 179.783 177.584 -0.011 0.000 1.186 214 A CA 1.665 53.675 52.037 -0.044 0.000 0.624 214 A CB -0.493 18.493 19.000 -0.023 0.000 0.822 214 A HN 0.464 nan 8.150 nan 0.000 0.444 215 Q N -0.783 119.019 119.800 0.003 0.000 2.096 215 Q HA -0.146 4.194 4.340 0.001 0.000 0.204 215 Q C 2.071 178.097 176.000 0.042 0.000 0.982 215 Q CA 1.639 57.460 55.803 0.030 0.000 0.850 215 Q CB -0.326 28.432 28.738 0.033 0.000 0.901 215 Q HN 0.745 nan 8.270 nan 0.000 0.422 216 I N 0.731 121.321 120.570 0.033 0.000 2.226 216 I HA -0.282 3.888 4.170 0.001 0.000 0.245 216 I C 2.192 178.349 176.117 0.066 0.000 1.100 216 I CA 1.204 62.542 61.300 0.064 0.000 1.374 216 I CB -0.130 37.922 38.000 0.087 0.000 1.057 216 I HN 0.100 nan 8.210 nan 0.000 0.413 217 K N 0.384 120.796 120.400 0.020 0.000 2.097 217 K HA -0.184 4.137 4.320 0.001 0.000 0.206 217 K C 1.982 178.634 176.600 0.087 0.000 1.049 217 K CA 1.328 57.639 56.287 0.041 0.000 0.933 217 K CB -0.145 32.345 32.500 -0.016 0.000 0.717 217 K HN 0.413 nan 8.250 nan 0.000 0.442 218 E N 0.444 120.693 120.200 0.082 0.000 2.047 218 E HA -0.109 4.241 4.350 0.001 0.000 0.191 218 E C 1.963 178.651 176.600 0.146 0.000 0.987 218 E CA 1.225 57.701 56.400 0.127 0.000 0.799 218 E CB 0.041 29.803 29.700 0.103 0.000 0.752 218 E HN 0.241 nan 8.360 nan 0.000 0.449 219 M N -0.373 119.282 119.600 0.093 0.000 2.435 219 M HA -0.049 4.432 4.480 0.001 0.000 0.265 219 M C 1.693 178.003 176.300 0.017 0.000 1.104 219 M CA 0.632 55.962 55.300 0.050 0.000 1.140 219 M CB 0.733 33.360 32.600 0.045 0.000 1.372 219 M HN -0.006 nan 8.290 nan 0.000 0.456 220 V N -1.877 118.072 119.914 0.059 0.000 2.950 220 V HA 0.047 4.167 4.120 0.001 0.000 0.231 220 V C 1.828 177.972 176.094 0.084 0.000 1.205 220 V CA 0.705 63.044 62.300 0.064 0.000 1.239 220 V CB -0.364 31.526 31.823 0.112 0.000 1.050 220 V HN 0.160 nan 8.190 nan 0.000 0.498 221 E N 0.763 121.033 120.200 0.117 0.000 2.047 221 E HA -0.161 4.189 4.350 0.001 0.000 0.191 221 E C 1.970 178.652 176.600 0.137 0.000 0.987 221 E CA 1.274 57.751 56.400 0.128 0.000 0.799 221 E CB -0.321 29.465 29.700 0.143 0.000 0.752 221 E HN 0.365 nan 8.360 nan 0.000 0.449 222 L N 0.469 121.801 121.223 0.181 0.000 2.017 222 L HA -0.070 4.270 4.340 0.001 0.000 0.208 222 L C -1.073 176.004 176.870 0.345 0.000 1.073 222 L CA 1.844 56.858 54.840 0.289 0.000 0.745 222 L CB -0.968 41.288 42.059 0.328 0.000 0.894 222 L HN 0.176 nan 8.230 nan 0.000 0.432 223 P HA -0.107 nan 4.420 nan 0.000 0.221 223 P C 1.930 179.248 177.300 0.029 0.000 1.150 223 P CA 1.341 64.376 63.100 -0.109 0.000 0.800 223 P CB 0.071 31.467 31.700 -0.507 0.000 0.787 224 L N -1.146 120.104 121.223 0.045 0.000 2.068 224 L HA 0.008 4.349 4.340 0.001 0.000 0.204 224 L C 2.370 179.246 176.870 0.010 0.000 1.076 224 L CA 1.254 56.120 54.840 0.043 0.000 0.753 224 L CB -0.336 41.753 42.059 0.050 0.000 0.910 224 L HN -0.185 nan 8.230 nan 0.000 0.439 225 R N -1.375 119.120 120.500 -0.008 0.000 2.317 225 R HA 0.094 4.434 4.340 0.001 0.000 0.208 225 R C -0.067 176.006 176.300 -0.377 0.000 0.914 225 R CA 0.238 56.240 56.100 -0.162 0.000 1.060 225 R CB 0.338 30.537 30.300 -0.169 0.000 1.015 225 R HN 0.338 nan 8.270 nan 0.000 0.498 226 H N -0.195 118.950 119.070 0.125 0.000 2.712 226 H HA 0.150 4.706 4.556 0.001 0.000 0.226 226 H C -1.996 173.473 175.328 0.234 0.000 1.422 226 H CA -1.575 54.561 56.048 0.145 0.000 1.270 226 H CB 1.217 31.058 29.762 0.132 0.000 1.891 226 H HN 0.033 nan 8.280 nan 0.000 0.518 227 P HA -0.048 nan 4.420 nan 0.000 0.230 227 P C 1.469 178.949 177.300 0.299 0.000 1.158 227 P CA 0.677 63.965 63.100 0.313 0.000 0.769 227 P CB 0.314 32.157 31.700 0.238 0.000 0.807 228 A N 0.561 123.517 122.820 0.228 0.000 1.908 228 A HA -0.160 4.160 4.320 0.001 0.000 0.218 228 A C 2.358 180.017 177.584 0.125 0.000 1.181 228 A CA 1.261 53.393 52.037 0.158 0.000 0.627 228 A CB -1.550 17.524 19.000 0.124 0.000 0.818 228 A HN 0.148 nan 8.150 nan 0.000 0.445 229 L N -2.033 119.254 121.223 0.106 0.000 1.989 229 L HA -0.214 4.127 4.340 0.001 0.000 0.211 229 L C 2.554 179.351 176.870 -0.122 0.000 1.071 229 L CA 1.735 56.526 54.840 -0.083 0.000 0.749 229 L CB -0.567 41.331 42.059 -0.268 0.000 0.890 229 L HN 0.443 nan 8.230 nan 0.000 0.431 230 F N -0.402 119.580 119.950 0.054 0.000 2.146 230 F HA -0.191 4.336 4.527 0.001 0.000 0.298 230 F C 2.652 178.478 175.800 0.043 0.000 1.096 230 F CA 1.151 59.179 58.000 0.048 0.000 1.275 230 F CB -0.338 38.695 39.000 0.054 0.000 1.008 230 F HN -0.093 nan 8.300 nan 0.000 0.480 231 K N 0.670 121.209 120.400 0.233 0.000 2.057 231 K HA -0.068 4.252 4.320 0.001 0.000 0.207 231 K C 2.209 178.860 176.600 0.084 0.000 1.049 231 K CA 1.276 57.648 56.287 0.140 0.000 0.931 231 K CB -0.620 31.957 32.500 0.129 0.000 0.714 231 K HN 0.239 nan 8.250 nan 0.000 0.440 232 A N 0.643 123.498 122.820 0.059 0.000 1.930 232 A HA -0.074 4.246 4.320 0.001 0.000 0.217 232 A C 2.155 179.743 177.584 0.006 0.000 1.175 232 A CA 1.000 53.051 52.037 0.023 0.000 0.627 232 A CB -0.331 18.672 19.000 0.006 0.000 0.815 232 A HN 0.323 nan 8.150 nan 0.000 0.443 233 I N -1.138 119.425 120.570 -0.011 0.000 3.428 233 I HA 0.128 4.298 4.170 0.001 0.000 0.286 233 I C 1.392 177.521 176.117 0.020 0.000 1.287 233 I CA 0.999 62.286 61.300 -0.021 0.000 1.396 233 I CB 0.052 38.002 38.000 -0.083 0.000 1.062 233 I HN 0.469 nan 8.210 nan 0.000 0.471 234 G N 0.918 109.747 108.800 0.049 0.000 2.160 234 G HA2 -0.216 3.744 3.960 0.001 0.000 0.244 234 G HA3 -0.216 3.744 3.960 0.001 0.000 0.244 234 G C 0.010 174.962 174.900 0.086 0.000 1.022 234 G CA 0.251 45.388 45.100 0.062 0.000 0.741 234 G HN 0.237 nan 8.290 nan 0.000 0.508 235 V N 0.109 120.100 119.914 0.129 0.000 2.495 235 V HA 0.507 4.627 4.120 0.001 0.000 0.298 235 V C 0.477 176.710 176.094 0.231 0.000 1.031 235 V CA -0.944 61.462 62.300 0.177 0.000 0.871 235 V CB 1.794 33.727 31.823 0.183 0.000 0.988 235 V HN 0.309 nan 8.190 nan 0.000 0.432 236 K N 6.781 127.274 120.400 0.154 0.000 2.297 236 K HA 0.377 4.697 4.320 0.001 0.000 0.286 236 K C -2.300 174.307 176.600 0.012 0.000 1.053 236 K CA -1.250 55.085 56.287 0.080 0.000 0.940 236 K CB 0.848 33.383 32.500 0.059 0.000 1.019 236 K HN 0.456 nan 8.250 nan 0.000 0.475 237 P HA 0.164 nan 4.420 nan 0.000 0.275 237 P C -2.611 174.536 177.300 -0.255 0.000 1.227 237 P CA -1.321 61.540 63.100 -0.399 0.000 0.781 237 P CB 0.241 31.530 31.700 -0.685 0.000 0.906 238 P HA 0.150 nan 4.420 nan 0.000 0.269 238 P C 0.662 177.836 177.300 -0.210 0.000 1.209 238 P CA -0.076 62.900 63.100 -0.206 0.000 0.776 238 P CB 0.452 32.069 31.700 -0.138 0.000 0.876 239 R N 1.273 121.633 120.500 -0.233 0.000 2.509 239 R HA 0.376 4.717 4.340 0.001 0.000 0.297 239 R C 0.113 176.254 176.300 -0.265 0.000 0.951 239 R CA -0.262 55.705 56.100 -0.222 0.000 1.103 239 R CB 0.396 30.568 30.300 -0.213 0.000 1.283 239 R HN 0.470 nan 8.270 nan 0.000 0.534 240 G N 2.047 110.678 108.800 -0.281 0.000 2.744 240 G HA2 0.519 4.479 3.960 0.001 0.000 0.286 240 G HA3 0.519 4.479 3.960 0.001 0.000 0.286 240 G C -1.168 173.724 174.900 -0.014 0.000 1.497 240 G CA -0.472 44.406 45.100 -0.370 0.000 1.070 240 G HN 0.044 nan 8.290 nan 0.000 0.539 241 I N 2.803 123.471 120.570 0.162 0.000 2.389 241 I HA 0.417 4.587 4.170 0.001 0.000 0.288 241 I C -0.567 175.689 176.117 0.231 0.000 0.999 241 I CA -1.752 59.654 61.300 0.177 0.000 1.129 241 I CB 1.355 39.410 38.000 0.091 0.000 1.288 241 I HN 0.346 nan 8.210 nan 0.000 0.444 242 L N 7.641 128.973 121.223 0.183 0.000 2.298 242 L HA 0.535 4.875 4.340 0.001 0.000 0.284 242 L C -0.798 176.142 176.870 0.116 0.000 1.013 242 L CA -0.161 54.697 54.840 0.028 0.000 0.824 242 L CB 0.884 42.914 42.059 -0.047 0.000 1.221 242 L HN 0.384 nan 8.230 nan 0.000 0.418 243 L N 6.488 127.755 121.223 0.074 0.000 2.290 243 L HA 0.446 4.787 4.340 0.001 0.000 0.284 243 L C -0.577 176.385 176.870 0.152 0.000 1.078 243 L CA -0.691 54.216 54.840 0.111 0.000 0.815 243 L CB 0.405 42.540 42.059 0.126 0.000 1.162 243 L HN 0.690 nan 8.230 nan 0.000 0.435 244 Y N 0.953 121.261 120.300 0.014 0.000 2.634 244 Y HA 0.992 5.542 4.550 0.000 0.000 0.340 244 Y C 0.053 175.963 175.900 0.017 0.000 1.058 244 Y CA -0.834 57.269 58.100 0.005 0.000 1.081 244 Y CB 2.146 40.600 38.460 -0.010 0.000 1.295 244 Y HN 0.713 nan 8.280 nan 0.000 0.487 245 G N 0.214 109.050 108.800 0.060 0.000 2.356 245 G HA2 0.349 4.310 3.960 0.001 0.000 0.300 245 G HA3 0.349 4.310 3.960 0.001 0.000 0.300 245 G C -3.547 171.374 174.900 0.035 0.000 1.331 245 G CA -1.270 43.813 45.100 -0.029 0.000 0.905 245 G HN 0.529 nan 8.290 nan 0.000 0.587 246 P HA 0.348 nan 4.420 nan 0.000 0.272 246 P C -2.457 174.845 177.300 0.003 0.000 1.240 246 P CA -0.949 62.157 63.100 0.009 0.000 0.791 246 P CB -0.022 31.672 31.700 -0.010 0.000 0.978 247 P HA 0.028 nan 4.420 nan 0.000 0.264 247 P C 0.718 178.012 177.300 -0.010 0.000 1.183 247 P CA 1.491 64.590 63.100 -0.002 0.000 0.763 247 P CB -0.148 31.548 31.700 -0.008 0.000 0.807 248 G N 2.377 111.176 108.800 -0.003 0.000 2.221 248 G HA2 -0.279 3.681 3.960 0.001 0.000 0.265 248 G HA3 -0.279 3.681 3.960 0.001 0.000 0.265 248 G C 0.780 175.676 174.900 -0.007 0.000 1.041 248 G CA 0.615 45.711 45.100 -0.006 0.000 0.807 248 G HN 0.601 nan 8.290 nan 0.000 0.502 249 T N -3.593 110.960 114.554 -0.003 0.000 3.051 249 T HA 0.450 4.801 4.350 0.001 0.000 0.255 249 T C 1.970 176.673 174.700 0.006 0.000 1.085 249 T CA 1.369 63.465 62.100 -0.007 0.000 1.109 249 T CB 0.633 69.489 68.868 -0.020 0.000 0.921 249 T HN 2.095 nan 8.240 nan 0.000 0.488 250 G N 1.224 110.034 108.800 0.016 0.000 2.157 250 G HA2 -0.143 3.817 3.960 0.001 0.000 0.114 250 G HA3 -0.143 3.817 3.960 0.001 0.000 0.114 250 G C 0.561 175.480 174.900 0.032 0.000 1.041 250 G CA 0.062 45.178 45.100 0.025 0.000 0.714 250 G HN 0.460 nan 8.290 nan 0.000 0.492 251 K N -0.209 120.217 120.400 0.044 0.000 2.002 251 K HA -0.032 4.288 4.320 0.001 0.000 0.209 251 K C 2.506 179.133 176.600 0.044 0.000 1.048 251 K CA 1.930 58.269 56.287 0.087 0.000 0.930 251 K CB -0.262 32.312 32.500 0.125 0.000 0.714 251 K HN 0.251 nan 8.250 nan 0.000 0.438 252 T N 1.753 116.310 114.554 0.006 0.000 2.867 252 T HA -0.081 4.269 4.350 0.001 0.000 0.268 252 T C 1.757 176.386 174.700 -0.118 0.000 1.057 252 T CA 0.734 62.787 62.100 -0.077 0.000 1.136 252 T CB -0.151 68.695 68.868 -0.035 0.000 0.874 252 T HN 0.053 nan 8.240 nan 0.000 0.466 253 L N 0.945 122.135 121.223 -0.056 0.000 2.017 253 L HA 0.017 4.357 4.340 0.001 0.000 0.208 253 L C 2.165 178.995 176.870 -0.068 0.000 1.073 253 L CA 1.552 56.360 54.840 -0.053 0.000 0.745 253 L CB -0.485 41.573 42.059 -0.002 0.000 0.894 253 L HN 0.230 nan 8.230 nan 0.000 0.432 254 I N -0.656 119.901 120.570 -0.022 0.000 2.208 254 I HA -0.353 3.817 4.170 0.001 0.000 0.245 254 I C 2.580 178.655 176.117 -0.069 0.000 1.097 254 I CA 1.262 62.578 61.300 0.026 0.000 1.363 254 I CB -0.575 37.485 38.000 0.100 0.000 1.051 254 I HN 0.378 nan 8.210 nan 0.000 0.413 255 A N 0.677 123.330 122.820 -0.277 0.000 1.883 255 A HA -0.224 4.097 4.320 0.001 0.000 0.217 255 A C 2.369 179.669 177.584 -0.474 0.000 1.186 255 A CA 1.548 53.195 52.037 -0.649 0.000 0.624 255 A CB -0.458 17.757 19.000 -1.309 0.000 0.822 255 A HN 0.254 nan 8.150 nan 0.000 0.444 256 R N -0.448 119.837 120.500 -0.359 0.000 2.075 256 R HA -0.044 4.297 4.340 0.001 0.000 0.232 256 R C 2.459 178.537 176.300 -0.371 0.000 1.126 256 R CA 1.450 57.341 56.100 -0.347 0.000 0.963 256 R CB -1.313 28.849 30.300 -0.230 0.000 0.858 256 R HN 0.539 nan 8.270 nan 0.000 0.435 257 A N 0.756 123.409 122.820 -0.278 0.000 1.877 257 A HA -0.106 4.214 4.320 0.001 0.000 0.216 257 A C 2.517 179.806 177.584 -0.491 0.000 1.186 257 A CA 1.611 53.443 52.037 -0.341 0.000 0.620 257 A CB -0.649 18.254 19.000 -0.162 0.000 0.822 257 A HN 0.097 nan 8.150 nan 0.000 0.443 258 V N -0.055 119.702 119.914 -0.262 0.000 2.343 258 V HA -0.264 3.856 4.120 0.001 0.000 0.247 258 V C 3.070 178.900 176.094 -0.440 0.000 1.051 258 V CA 1.936 64.153 62.300 -0.137 0.000 1.036 258 V CB -1.272 30.674 31.823 0.205 0.000 0.654 258 V HN 0.624 nan 8.190 nan 0.000 0.451 259 A N 0.422 122.663 122.820 -0.964 0.000 1.948 259 A HA -0.297 4.023 4.320 0.001 0.000 0.220 259 A C 1.959 179.162 177.584 -0.636 0.000 1.177 259 A CA 2.593 53.777 52.037 -1.422 0.000 0.636 259 A CB -0.750 17.344 19.000 -1.510 0.000 0.815 259 A HN 0.741 nan 8.150 nan 0.000 0.449 260 N N -1.228 117.180 118.700 -0.487 0.000 2.405 260 N HA 0.015 4.756 4.740 0.001 0.000 0.175 260 N C 1.341 176.678 175.510 -0.289 0.000 1.051 260 N CA 0.592 53.441 53.050 -0.336 0.000 0.899 260 N CB 0.168 38.474 38.487 -0.300 0.000 1.000 260 N HN 0.429 nan 8.380 nan 0.000 0.451 261 E N 0.442 120.418 120.200 -0.373 0.000 2.415 261 E HA 0.007 4.357 4.350 0.001 0.000 0.197 261 E C 0.485 177.020 176.600 -0.109 0.000 1.007 261 E CA 0.405 56.606 56.400 -0.332 0.000 0.890 261 E CB 0.377 29.594 29.700 -0.805 0.000 0.891 261 E HN 0.363 nan 8.360 nan 0.000 0.496 262 T N -2.235 112.282 114.554 -0.061 0.000 2.904 262 T HA 0.344 4.694 4.350 0.001 0.000 0.290 262 T C 1.245 175.977 174.700 0.052 0.000 1.018 262 T CA -0.173 61.963 62.100 0.059 0.000 1.075 262 T CB 1.805 70.754 68.868 0.134 0.000 0.986 262 T HN -0.018 nan 8.240 nan 0.000 0.523 263 G N 0.211 109.055 108.800 0.073 0.000 2.712 263 G HA2 0.404 4.365 3.960 0.001 0.000 0.212 263 G HA3 0.404 4.365 3.960 0.001 0.000 0.212 263 G C 0.629 175.584 174.900 0.092 0.000 1.142 263 G CA 0.069 45.208 45.100 0.064 0.000 0.789 263 G HN 1.163 nan 8.290 nan 0.000 0.535 264 A N 0.046 122.941 122.820 0.124 0.000 2.322 264 A HA 0.572 4.892 4.320 0.001 0.000 0.269 264 A C -0.360 177.368 177.584 0.240 0.000 1.094 264 A CA -0.768 51.372 52.037 0.172 0.000 0.807 264 A CB 0.402 19.506 19.000 0.174 0.000 1.047 264 A HN 0.287 nan 8.150 nan 0.000 0.487 265 F N 1.198 121.212 119.950 0.106 0.000 2.572 265 F HA 0.406 4.933 4.527 0.001 0.000 0.370 265 F C -0.568 175.358 175.800 0.211 0.000 1.103 265 F CA 0.095 58.176 58.000 0.135 0.000 1.286 265 F CB 0.120 39.178 39.000 0.097 0.000 1.105 265 F HN 0.404 nan 8.300 nan 0.000 0.583 266 F N 7.747 127.293 119.950 -0.674 0.000 2.507 266 F HA 0.444 4.971 4.527 0.000 0.000 0.328 266 F C -1.818 173.585 175.800 -0.660 0.000 1.136 266 F CA -0.929 56.790 58.000 -0.469 0.000 0.930 266 F CB 0.866 39.718 39.000 -0.247 0.000 1.166 266 F HN 0.379 nan 8.300 nan 0.000 0.436 267 F N 7.543 127.054 119.950 -0.732 0.000 2.427 267 F HA 0.534 5.061 4.527 0.000 0.000 0.348 267 F C -1.420 174.197 175.800 -0.306 0.000 1.125 267 F CA -0.978 56.768 58.000 -0.423 0.000 0.989 267 F CB 1.224 40.059 39.000 -0.276 0.000 1.165 267 F HN 0.378 nan 8.300 nan 0.000 0.442 268 L N 7.051 128.191 121.223 -0.138 0.000 2.312 268 L HA 0.581 4.921 4.340 0.001 0.000 0.281 268 L C -1.013 175.967 176.870 0.183 0.000 1.070 268 L CA -0.053 54.847 54.840 0.100 0.000 0.805 268 L CB 0.695 42.830 42.059 0.126 0.000 1.174 268 L HN 0.484 nan 8.230 nan 0.000 0.434 269 I N 5.191 125.914 120.570 0.255 0.000 2.439 269 I HA 0.352 4.522 4.170 0.001 0.000 0.285 269 I C -0.707 175.527 176.117 0.195 0.000 1.021 269 I CA -0.660 60.785 61.300 0.242 0.000 1.091 269 I CB 1.318 39.463 38.000 0.242 0.000 1.242 269 I HN 0.551 nan 8.210 nan 0.000 0.439 270 N N 4.507 123.295 118.700 0.147 0.000 2.455 270 N HA 0.200 4.941 4.740 0.001 0.000 0.280 270 N C 1.022 176.593 175.510 0.102 0.000 1.055 270 N CA -0.081 53.042 53.050 0.121 0.000 0.961 270 N CB 2.177 40.715 38.487 0.086 0.000 1.121 270 N HN 0.819 nan 8.380 nan 0.000 0.476 271 G N 3.331 112.185 108.800 0.090 0.000 2.586 271 G HA2 -0.219 3.742 3.960 0.001 0.000 0.218 271 G HA3 -0.219 3.742 3.960 0.001 0.000 0.218 271 G C -0.945 173.989 174.900 0.056 0.000 1.216 271 G CA 0.971 46.111 45.100 0.067 0.000 0.786 271 G HN 0.483 nan 8.290 nan 0.000 0.583 272 P HA -0.023 nan 4.420 nan 0.000 0.218 272 P C 1.773 179.099 177.300 0.043 0.000 1.149 272 P CA 1.038 64.162 63.100 0.040 0.000 0.817 272 P CB 0.043 31.763 31.700 0.034 0.000 0.785 273 E N -0.387 119.844 120.200 0.052 0.000 2.049 273 E HA -0.189 4.161 4.350 0.001 0.000 0.198 273 E C 1.937 178.573 176.600 0.060 0.000 1.007 273 E CA 1.258 57.691 56.400 0.055 0.000 0.809 273 E CB -0.521 29.218 29.700 0.066 0.000 0.749 273 E HN 0.123 nan 8.360 nan 0.000 0.450 274 I N 0.908 121.520 120.570 0.071 0.000 2.142 274 I HA -0.263 3.907 4.170 0.001 0.000 0.240 274 I C 2.302 178.450 176.117 0.051 0.000 1.078 274 I CA 1.101 62.443 61.300 0.070 0.000 1.343 274 I CB -0.953 37.095 38.000 0.080 0.000 1.046 274 I HN 0.195 nan 8.210 nan 0.000 0.405 275 M N 0.522 120.149 119.600 0.045 0.000 2.632 275 M HA -0.056 4.424 4.480 0.001 0.000 0.256 275 M C 2.268 178.586 176.300 0.030 0.000 1.080 275 M CA 0.965 56.285 55.300 0.035 0.000 1.084 275 M CB -1.551 31.068 32.600 0.031 0.000 1.439 275 M HN 0.366 nan 8.290 nan 0.000 0.509 276 S N -0.542 115.178 115.700 0.032 0.000 2.489 276 S HA 0.046 4.517 4.470 0.001 0.000 0.228 276 S C 0.904 175.520 174.600 0.027 0.000 0.995 276 S CA 0.110 58.326 58.200 0.027 0.000 0.934 276 S CB 0.134 63.351 63.200 0.028 0.000 0.771 276 S HN 0.376 nan 8.310 nan 0.000 0.522 277 K N 1.094 121.513 120.400 0.031 0.000 2.118 277 K HA 0.410 4.730 4.320 0.001 0.000 0.267 277 K C -0.247 176.369 176.600 0.026 0.000 0.991 277 K CA -0.639 55.666 56.287 0.031 0.000 0.916 277 K CB 1.124 33.648 32.500 0.039 0.000 1.041 277 K HN 0.227 nan 8.250 nan 0.000 0.455 278 L N 1.895 123.132 121.223 0.023 0.000 2.554 278 L HA -0.115 4.226 4.340 0.001 0.000 0.293 278 L C 0.636 177.517 176.870 0.019 0.000 1.252 278 L CA -0.094 54.758 54.840 0.019 0.000 0.862 278 L CB 0.147 42.216 42.059 0.017 0.000 1.113 278 L HN 0.765 nan 8.230 nan 0.000 0.510 279 A N 2.984 125.814 122.820 0.016 0.000 2.580 279 A HA 0.333 4.653 4.320 0.001 0.000 0.244 279 A C 1.296 178.888 177.584 0.012 0.000 1.045 279 A CA 0.715 52.760 52.037 0.014 0.000 0.761 279 A CB -0.418 18.589 19.000 0.011 0.000 0.962 279 A HN 1.170 nan 8.150 nan 0.000 0.512 280 G N 1.365 110.172 108.800 0.011 0.000 2.640 280 G HA2 -0.344 3.616 3.960 0.001 0.000 0.226 280 G HA3 -0.344 3.616 3.960 0.001 0.000 0.226 280 G C 1.141 176.049 174.900 0.014 0.000 1.222 280 G CA 0.782 45.888 45.100 0.009 0.000 0.729 280 G HN 0.869 nan 8.290 nan 0.000 0.516 281 E N 1.304 121.515 120.200 0.018 0.000 2.333 281 E HA -0.091 4.260 4.350 0.001 0.000 0.198 281 E C 2.530 179.150 176.600 0.033 0.000 1.007 281 E CA 1.794 58.209 56.400 0.025 0.000 0.845 281 E CB -0.115 29.600 29.700 0.025 0.000 0.766 281 E HN 0.728 nan 8.360 nan 0.000 0.507 282 S N -0.182 115.536 115.700 0.031 0.000 2.421 282 S HA -0.030 4.440 4.470 0.001 0.000 0.224 282 S C 1.718 176.338 174.600 0.034 0.000 1.035 282 S CA 0.298 58.521 58.200 0.038 0.000 0.953 282 S CB -0.072 63.149 63.200 0.035 0.000 0.810 282 S HN 0.111 nan 8.310 nan 0.000 0.497 283 E N 2.028 122.239 120.200 0.018 0.000 2.077 283 E HA -0.067 4.283 4.350 0.001 0.000 0.193 283 E C 2.198 178.801 176.600 0.005 0.000 0.989 283 E CA 1.198 57.600 56.400 0.003 0.000 0.800 283 E CB -0.377 29.318 29.700 -0.007 0.000 0.746 283 E HN 0.501 nan 8.360 nan 0.000 0.452 284 S N -0.129 115.579 115.700 0.014 0.000 2.383 284 S HA -0.138 4.333 4.470 0.001 0.000 0.227 284 S C 1.657 176.278 174.600 0.034 0.000 1.026 284 S CA 1.476 59.687 58.200 0.018 0.000 0.981 284 S CB -0.274 62.939 63.200 0.021 0.000 0.818 284 S HN 0.274 nan 8.310 nan 0.000 0.472 285 N N 0.389 119.120 118.700 0.052 0.000 2.244 285 N HA 0.064 4.804 4.740 0.001 0.000 0.183 285 N C 1.738 177.300 175.510 0.087 0.000 1.016 285 N CA 0.941 54.040 53.050 0.082 0.000 0.866 285 N CB -0.115 38.432 38.487 0.100 0.000 0.980 285 N HN 0.312 nan 8.380 nan 0.000 0.430 286 L N 0.859 122.127 121.223 0.075 0.000 2.005 286 L HA -0.154 4.186 4.340 0.001 0.000 0.207 286 L C 2.628 179.550 176.870 0.088 0.000 1.072 286 L CA 1.066 55.962 54.840 0.095 0.000 0.744 286 L CB -0.287 41.798 42.059 0.043 0.000 0.895 286 L HN 0.190 nan 8.230 nan 0.000 0.433 287 R N 0.416 120.924 120.500 0.014 0.000 2.133 287 R HA -0.303 4.038 4.340 0.001 0.000 0.245 287 R C 2.370 178.686 176.300 0.027 0.000 1.137 287 R CA 2.427 58.526 56.100 -0.002 0.000 0.947 287 R CB -0.259 30.032 30.300 -0.015 0.000 0.865 287 R HN 0.218 nan 8.270 nan 0.000 0.437 288 K N -0.486 119.919 120.400 0.008 0.000 2.097 288 K HA -0.130 4.191 4.320 0.001 0.000 0.206 288 K C 1.906 178.403 176.600 -0.171 0.000 1.049 288 K CA 1.410 57.684 56.287 -0.023 0.000 0.933 288 K CB -0.137 32.383 32.500 0.032 0.000 0.717 288 K HN 0.305 nan 8.250 nan 0.000 0.442 289 A N 0.225 122.875 122.820 -0.284 0.000 1.933 289 A HA -0.115 4.205 4.320 0.001 0.000 0.218 289 A C 1.843 179.088 177.584 -0.565 0.000 1.175 289 A CA 1.195 52.715 52.037 -0.862 0.000 0.628 289 A CB -0.610 18.045 19.000 -0.575 0.000 0.814 289 A HN 0.342 nan 8.150 nan 0.000 0.444 290 F N 0.081 119.847 119.950 -0.306 0.000 2.234 290 F HA 0.005 4.532 4.527 0.000 0.000 0.296 290 F C 2.382 178.096 175.800 -0.144 0.000 1.089 290 F CA 1.472 59.361 58.000 -0.185 0.000 1.343 290 F CB -0.228 38.697 39.000 -0.125 0.000 1.040 290 F HN 0.297 nan 8.300 nan 0.000 0.498 291 E N -0.294 119.929 120.200 0.037 0.000 2.150 291 E HA -0.220 4.130 4.350 0.001 0.000 0.193 291 E C 1.880 178.448 176.600 -0.053 0.000 0.985 291 E CA 1.182 57.579 56.400 -0.004 0.000 0.814 291 E CB -0.106 29.592 29.700 -0.004 0.000 0.752 291 E HN 0.338 nan 8.360 nan 0.000 0.466 292 E N 0.925 121.066 120.200 -0.099 0.000 2.046 292 E HA -0.128 4.222 4.350 0.001 0.000 0.190 292 E C 1.941 178.497 176.600 -0.073 0.000 0.982 292 E CA 1.209 57.569 56.400 -0.066 0.000 0.800 292 E CB -0.133 29.563 29.700 -0.007 0.000 0.756 292 E HN 0.224 nan 8.360 nan 0.000 0.449 293 A N 0.703 123.519 122.820 -0.006 0.000 1.883 293 A HA -0.270 4.051 4.320 0.001 0.000 0.217 293 A C 2.112 179.677 177.584 -0.032 0.000 1.186 293 A CA 1.954 54.041 52.037 0.083 0.000 0.624 293 A CB -0.742 18.218 19.000 -0.066 0.000 0.822 293 A HN 0.342 nan 8.150 nan 0.000 0.444 294 E N -0.709 119.460 120.200 -0.051 0.000 2.085 294 E HA -0.213 4.138 4.350 0.001 0.000 0.194 294 E C 2.156 178.723 176.600 -0.056 0.000 0.994 294 E CA 1.391 57.772 56.400 -0.031 0.000 0.801 294 E CB -0.088 29.608 29.700 -0.007 0.000 0.743 294 E HN 0.584 nan 8.360 nan 0.000 0.453 295 K N 0.696 121.038 120.400 -0.097 0.000 2.057 295 K HA -0.099 4.221 4.320 0.001 0.000 0.206 295 K C 0.076 176.566 176.600 -0.184 0.000 1.050 295 K CA 0.933 57.148 56.287 -0.121 0.000 0.935 295 K CB 0.003 32.430 32.500 -0.123 0.000 0.715 295 K HN 0.009 nan 8.250 nan 0.000 0.439 296 N N 0.978 119.481 118.700 -0.328 0.000 3.034 296 N HA 0.129 4.870 4.740 0.001 0.000 0.265 296 N C 0.237 175.636 175.510 -0.184 0.000 1.166 296 N CA 0.186 52.983 53.050 -0.423 0.000 1.081 296 N CB 1.059 38.872 38.487 -1.122 0.000 1.378 296 N HN 0.199 nan 8.380 nan 0.000 0.520 297 A N 3.152 125.914 122.820 -0.096 0.000 2.033 297 A HA -0.224 4.096 4.320 0.001 0.000 0.282 297 A C -1.303 176.298 177.584 0.029 0.000 2.983 297 A CA 1.391 53.415 52.037 -0.022 0.000 0.987 297 A CB -1.946 17.035 19.000 -0.032 0.000 0.716 297 A HN 0.390 nan 8.150 nan 0.000 0.495 298 P HA 0.587 nan 4.420 nan 0.000 0.291 298 P C -0.933 176.447 177.300 0.133 0.000 1.340 298 P CA 0.482 63.620 63.100 0.063 0.000 0.799 298 P CB 1.304 33.007 31.700 0.004 0.000 0.917 299 A N 4.103 127.007 122.820 0.141 0.000 2.454 299 A HA 0.804 5.125 4.320 0.001 0.000 0.302 299 A C -0.962 176.669 177.584 0.079 0.000 1.079 299 A CA -0.804 51.355 52.037 0.203 0.000 0.731 299 A CB 1.118 20.297 19.000 0.299 0.000 1.299 299 A HN 0.419 nan 8.150 nan 0.000 0.413 300 I N 1.888 122.473 120.570 0.025 0.000 2.389 300 I HA 0.348 4.519 4.170 0.001 0.000 0.288 300 I C -0.845 175.048 176.117 -0.373 0.000 0.999 300 I CA -0.214 61.005 61.300 -0.134 0.000 1.129 300 I CB 1.567 39.544 38.000 -0.038 0.000 1.288 300 I HN 0.464 nan 8.210 nan 0.000 0.444 301 I N 6.048 126.422 120.570 -0.328 0.000 2.315 301 I HA 0.246 4.417 4.170 0.001 0.000 0.291 301 I C -0.655 175.282 176.117 -0.301 0.000 1.006 301 I CA -0.288 60.799 61.300 -0.355 0.000 1.265 301 I CB 0.918 38.638 38.000 -0.467 0.000 1.387 301 I HN 0.432 nan 8.210 nan 0.000 0.475 302 F N 7.580 127.272 119.950 -0.430 0.000 2.361 302 F HA 0.499 5.026 4.527 0.000 0.000 0.364 302 F C 0.016 175.803 175.800 -0.022 0.000 1.117 302 F CA -0.522 57.364 58.000 -0.189 0.000 1.071 302 F CB 0.763 39.689 39.000 -0.124 0.000 1.188 302 F HN 0.264 nan 8.300 nan 0.000 0.464 303 I N 5.242 125.724 120.570 -0.147 0.000 2.276 303 I HA 0.126 4.297 4.170 0.001 0.000 0.290 303 I C -0.347 175.795 176.117 0.043 0.000 1.109 303 I CA -0.401 60.909 61.300 0.017 0.000 1.229 303 I CB 0.139 38.145 38.000 0.011 0.000 1.452 303 I HN 0.435 nan 8.210 nan 0.000 0.497 304 D N 6.327 126.924 120.400 0.328 0.000 2.304 304 D HA 0.092 4.732 4.640 0.001 0.000 0.250 304 D C 0.196 176.592 176.300 0.160 0.000 1.107 304 D CA 0.272 54.488 54.000 0.361 0.000 0.885 304 D CB 0.668 41.681 40.800 0.355 0.000 1.192 304 D HN 0.490 nan 8.370 nan 0.000 0.436 305 E N 1.523 121.794 120.200 0.118 0.000 2.246 305 E HA -0.240 4.110 4.350 0.001 0.000 0.211 305 E C 0.751 177.360 176.600 0.016 0.000 1.278 305 E CA -0.215 56.219 56.400 0.057 0.000 0.694 305 E CB -0.906 28.829 29.700 0.059 0.000 1.166 305 E HN 0.389 nan 8.360 nan 0.000 0.370 306 L N 1.889 123.089 121.223 -0.038 0.000 2.081 306 L HA -0.235 4.106 4.340 0.001 0.000 0.212 306 L C 2.225 179.062 176.870 -0.055 0.000 1.080 306 L CA 2.755 57.541 54.840 -0.090 0.000 0.754 306 L CB -0.331 41.582 42.059 -0.244 0.000 0.893 306 L HN 0.501 nan 8.230 nan 0.000 0.433 307 D N -0.724 119.650 120.400 -0.043 0.000 2.228 307 D HA -0.250 4.391 4.640 0.001 0.000 0.203 307 D C 1.849 178.146 176.300 -0.005 0.000 0.988 307 D CA 1.274 55.260 54.000 -0.024 0.000 0.864 307 D CB -0.251 40.540 40.800 -0.015 0.000 0.928 307 D HN 0.503 nan 8.370 nan 0.000 0.469 308 A N 1.470 124.293 122.820 0.005 0.000 1.930 308 A HA -0.025 4.295 4.320 0.001 0.000 0.217 308 A C 2.486 180.081 177.584 0.018 0.000 1.175 308 A CA 1.551 53.598 52.037 0.016 0.000 0.627 308 A CB -0.650 18.364 19.000 0.025 0.000 0.815 308 A HN 0.505 nan 8.150 nan 0.000 0.443 309 I N -5.163 115.417 120.570 0.016 0.000 3.265 309 I HA 0.471 4.642 4.170 0.001 0.000 0.282 309 I C 1.213 177.339 176.117 0.014 0.000 1.207 309 I CA 0.763 62.076 61.300 0.022 0.000 1.449 309 I CB 0.464 38.487 38.000 0.038 0.000 1.121 309 I HN 0.113 nan 8.210 nan 0.000 0.442 310 A N 3.382 126.204 122.820 0.002 0.000 3.219 310 A HA 0.598 4.918 4.320 0.001 0.000 0.314 310 A C -2.599 174.982 177.584 -0.006 0.000 1.081 310 A CA -1.309 50.728 52.037 0.000 0.000 0.995 310 A CB -0.708 18.292 19.000 0.001 0.000 1.067 310 A HN 0.195 nan 8.150 nan 0.000 0.533 311 P HA 0.195 nan 4.420 nan 0.000 0.277 311 P C -0.628 176.672 177.300 0.000 0.000 1.271 311 P CA -0.452 62.648 63.100 0.000 0.000 0.795 311 P CB 0.669 32.375 31.700 0.010 0.000 1.101 312 K N 1.135 121.534 120.400 -0.002 0.000 2.361 312 K HA 0.016 4.336 4.320 0.001 0.000 0.283 312 K C 1.565 178.160 176.600 -0.007 0.000 1.078 312 K CA 0.282 56.566 56.287 -0.005 0.000 1.041 312 K CB -0.036 32.461 32.500 -0.006 0.000 0.932 312 K HN 0.296 nan 8.250 nan 0.000 0.462 313 R N 2.075 122.569 120.500 -0.010 0.000 2.244 313 R HA -0.255 4.085 4.340 0.001 0.000 0.252 313 R C 1.305 177.586 176.300 -0.031 0.000 1.177 313 R CA 1.530 57.620 56.100 -0.017 0.000 1.004 313 R CB -0.000 30.291 30.300 -0.015 0.000 0.873 313 R HN 0.655 nan 8.270 nan 0.000 0.469 314 E N 0.394 120.576 120.200 -0.031 0.000 2.005 314 E HA -0.148 4.202 4.350 0.001 0.000 0.191 314 E C 0.883 177.448 176.600 -0.059 0.000 0.987 314 E CA 0.687 57.059 56.400 -0.046 0.000 0.814 314 E CB 0.016 29.696 29.700 -0.033 0.000 0.772 314 E HN 0.027 nan 8.360 nan 0.000 0.453 315 K N 1.473 121.858 120.400 -0.024 0.000 2.989 315 K HA -0.014 4.306 4.320 0.001 0.000 0.264 315 K C -1.075 175.549 176.600 0.041 0.000 1.228 315 K CA 0.350 56.642 56.287 0.009 0.000 1.186 315 K CB -0.225 32.291 32.500 0.026 0.000 1.409 315 K HN -0.060 nan 8.250 nan 0.000 0.271 316 T N -0.025 114.532 114.554 0.005 0.000 3.483 316 T HA 0.153 4.503 4.350 0.001 0.000 0.329 316 T C 0.199 174.902 174.700 0.005 0.000 1.014 316 T CA -0.773 61.359 62.100 0.053 0.000 1.056 316 T CB 0.675 69.561 68.868 0.030 0.000 1.090 316 T HN 0.454 nan 8.240 nan 0.000 0.460 317 H N 2.653 121.723 119.070 -0.001 0.000 2.448 317 H HA 0.198 4.754 4.556 -0.000 0.000 0.292 317 H C 1.493 176.820 175.328 -0.001 0.000 1.035 317 H CA 0.446 56.493 56.048 -0.001 0.000 1.349 317 H CB 0.409 30.170 29.762 -0.000 0.000 1.425 317 H HN 0.678 nan 8.280 nan 0.000 0.539 318 G N 0.801 109.667 108.800 0.110 0.000 2.355 318 G HA2 0.035 3.995 3.960 0.001 0.000 0.276 318 G HA3 0.035 3.995 3.960 0.001 0.000 0.276 318 G C 0.593 175.511 174.900 0.030 0.000 1.198 318 G CA -0.361 44.775 45.100 0.060 0.000 0.876 318 G HN 0.314 nan 8.290 nan 0.000 0.478 319 E N 1.200 121.412 120.200 0.021 0.000 2.085 319 E HA -0.174 4.176 4.350 0.001 0.000 0.194 319 E C 2.587 179.192 176.600 0.007 0.000 0.994 319 E CA 1.083 57.488 56.400 0.008 0.000 0.801 319 E CB 0.036 29.740 29.700 0.006 0.000 0.743 319 E HN 0.402 nan 8.360 nan 0.000 0.453 320 V N 1.360 121.280 119.914 0.011 0.000 2.407 320 V HA -0.258 3.862 4.120 0.001 0.000 0.248 320 V C 1.951 178.051 176.094 0.010 0.000 1.055 320 V CA 1.914 64.219 62.300 0.009 0.000 1.049 320 V CB -0.507 31.324 31.823 0.012 0.000 0.662 320 V HN 0.242 nan 8.190 nan 0.000 0.455 321 E N -0.013 120.197 120.200 0.016 0.000 2.047 321 E HA -0.198 4.153 4.350 0.001 0.000 0.191 321 E C 2.474 179.080 176.600 0.009 0.000 0.987 321 E CA 1.086 57.496 56.400 0.017 0.000 0.799 321 E CB -0.210 29.506 29.700 0.026 0.000 0.752 321 E HN 0.498 nan 8.360 nan 0.000 0.449 322 R N 0.532 121.035 120.500 0.005 0.000 2.105 322 R HA -0.087 4.254 4.340 0.001 0.000 0.239 322 R C 2.440 178.735 176.300 -0.008 0.000 1.135 322 R CA 1.134 57.231 56.100 -0.004 0.000 0.967 322 R CB -0.148 30.146 30.300 -0.010 0.000 0.861 322 R HN 0.028 nan 8.270 nan 0.000 0.442 323 R N 0.612 121.108 120.500 -0.007 0.000 2.115 323 R HA -0.079 4.261 4.340 0.001 0.000 0.230 323 R C 2.041 178.332 176.300 -0.015 0.000 1.111 323 R CA 1.239 57.332 56.100 -0.012 0.000 0.976 323 R CB -0.108 30.186 30.300 -0.009 0.000 0.870 323 R HN 0.207 nan 8.270 nan 0.000 0.445 324 I N 0.040 120.605 120.570 -0.008 0.000 2.286 324 I HA -0.232 3.939 4.170 0.001 0.000 0.245 324 I C 2.143 178.252 176.117 -0.013 0.000 1.104 324 I CA 0.756 62.051 61.300 -0.008 0.000 1.397 324 I CB -0.034 37.969 38.000 0.006 0.000 1.072 324 I HN -0.036 nan 8.210 nan 0.000 0.417 325 V N -0.102 119.808 119.914 -0.006 0.000 2.332 325 V HA -0.295 3.826 4.120 0.001 0.000 0.248 325 V C 2.497 178.581 176.094 -0.017 0.000 1.055 325 V CA 2.179 64.477 62.300 -0.004 0.000 1.038 325 V CB -0.830 30.993 31.823 0.000 0.000 0.651 325 V HN 0.367 nan 8.190 nan 0.000 0.450 326 S N -0.539 115.146 115.700 -0.024 0.000 2.382 326 S HA -0.282 4.188 4.470 0.001 0.000 0.228 326 S C 2.042 176.607 174.600 -0.059 0.000 1.027 326 S CA 1.827 60.006 58.200 -0.036 0.000 0.991 326 S CB -0.333 62.849 63.200 -0.031 0.000 0.823 326 S HN 0.673 nan 8.310 nan 0.000 0.469 327 Q N 0.928 120.689 119.800 -0.064 0.000 2.124 327 Q HA -0.049 4.291 4.340 0.001 0.000 0.202 327 Q C 1.963 177.867 176.000 -0.160 0.000 0.977 327 Q CA 1.141 56.886 55.803 -0.098 0.000 0.850 327 Q CB -0.404 28.289 28.738 -0.075 0.000 0.901 327 Q HN 0.449 nan 8.270 nan 0.000 0.429 328 L N -0.493 120.654 121.223 -0.126 0.000 2.023 328 L HA -0.009 4.331 4.340 0.001 0.000 0.205 328 L C 1.981 178.749 176.870 -0.170 0.000 1.073 328 L CA 1.558 56.304 54.840 -0.158 0.000 0.745 328 L CB -0.711 41.334 42.059 -0.024 0.000 0.900 328 L HN 0.378 nan 8.230 nan 0.000 0.435 329 L N -0.676 120.496 121.223 -0.084 0.000 2.021 329 L HA -0.305 4.036 4.340 0.001 0.000 0.215 329 L C 2.382 179.183 176.870 -0.114 0.000 1.074 329 L CA 2.093 56.891 54.840 -0.071 0.000 0.760 329 L CB -1.141 40.897 42.059 -0.036 0.000 0.889 329 L HN 0.337 nan 8.230 nan 0.000 0.433 330 T N 0.083 114.559 114.554 -0.130 0.000 2.684 330 T HA -0.206 4.144 4.350 0.001 0.000 0.267 330 T C 1.900 176.481 174.700 -0.198 0.000 1.036 330 T CA 1.527 63.544 62.100 -0.138 0.000 1.148 330 T CB -0.320 68.473 68.868 -0.125 0.000 0.863 330 T HN 0.205 nan 8.240 nan 0.000 0.436 331 L N 0.189 121.206 121.223 -0.344 0.000 2.056 331 L HA -0.068 4.273 4.340 0.001 0.000 0.207 331 L C 2.801 179.457 176.870 -0.357 0.000 1.078 331 L CA 0.817 55.325 54.840 -0.553 0.000 0.749 331 L CB -0.591 40.680 42.059 -1.314 0.000 0.901 331 L HN 0.224 nan 8.230 nan 0.000 0.433 332 M N -0.313 119.125 119.600 -0.270 0.000 2.082 332 M HA -0.229 4.252 4.480 0.001 0.000 0.258 332 M C 1.735 177.981 176.300 -0.090 0.000 1.069 332 M CA 1.775 57.016 55.300 -0.099 0.000 1.102 332 M CB -1.149 31.366 32.600 -0.142 0.000 1.336 332 M HN 0.220 nan 8.290 nan 0.000 0.404 333 D N -0.440 119.901 120.400 -0.097 0.000 2.317 333 D HA 0.013 4.653 4.640 0.001 0.000 0.211 333 D C 2.021 178.286 176.300 -0.059 0.000 0.966 333 D CA 1.063 55.022 54.000 -0.068 0.000 0.876 333 D CB -0.470 40.295 40.800 -0.057 0.000 0.927 333 D HN 0.459 nan 8.370 nan 0.000 0.519 334 G N 0.254 109.011 108.800 -0.072 0.000 2.464 334 G HA2 -0.020 3.940 3.960 0.001 0.000 0.217 334 G HA3 -0.020 3.940 3.960 0.001 0.000 0.217 334 G C 0.679 175.564 174.900 -0.024 0.000 1.138 334 G CA -0.153 44.914 45.100 -0.056 0.000 0.793 334 G HN 0.215 nan 8.290 nan 0.000 0.539 335 L N 1.772 122.994 121.223 -0.002 0.000 2.433 335 L HA 0.214 4.554 4.340 0.001 0.000 0.275 335 L C 0.568 177.417 176.870 -0.034 0.000 1.128 335 L CA -0.210 54.632 54.840 0.004 0.000 0.875 335 L CB 0.609 42.683 42.059 0.025 0.000 1.171 335 L HN 0.028 nan 8.230 nan 0.000 0.463 336 K N 2.087 122.463 120.400 -0.040 0.000 2.149 336 K HA 0.063 4.384 4.320 0.001 0.000 0.245 336 K C 0.881 177.428 176.600 -0.087 0.000 1.024 336 K CA -0.800 55.456 56.287 -0.053 0.000 0.899 336 K CB 0.708 33.182 32.500 -0.043 0.000 1.038 336 K HN 0.488 nan 8.250 nan 0.000 0.496 337 Q N 1.224 120.970 119.800 -0.090 0.000 2.062 337 Q HA -0.220 4.121 4.340 0.001 0.000 0.209 337 Q C 1.559 177.420 176.000 -0.232 0.000 0.996 337 Q CA 1.891 57.618 55.803 -0.127 0.000 0.859 337 Q CB -0.594 28.094 28.738 -0.082 0.000 0.920 337 Q HN 0.496 nan 8.270 nan 0.000 0.415 338 R N 0.754 121.124 120.500 -0.218 0.000 2.366 338 R HA 0.200 4.540 4.340 0.001 0.000 0.201 338 R C 1.646 177.750 176.300 -0.326 0.000 1.057 338 R CA 0.875 56.781 56.100 -0.323 0.000 1.086 338 R CB -0.995 29.234 30.300 -0.117 0.000 0.914 338 R HN 0.214 nan 8.270 nan 0.000 0.476 339 A N 0.853 123.522 122.820 -0.251 0.000 1.929 339 A HA -0.088 4.233 4.320 0.001 0.000 0.216 339 A C 0.095 177.660 177.584 -0.031 0.000 1.176 339 A CA 0.639 52.612 52.037 -0.106 0.000 0.628 339 A CB -0.534 18.427 19.000 -0.066 0.000 0.816 339 A HN 0.641 nan 8.150 nan 0.000 0.444 340 H N -1.689 117.361 119.070 -0.034 0.000 2.672 340 H HA -0.119 4.438 4.556 0.001 0.000 0.325 340 H C -1.002 174.304 175.328 -0.036 0.000 1.158 340 H CA 0.708 56.735 56.048 -0.036 0.000 1.134 340 H CB -2.351 27.401 29.762 -0.018 0.000 1.553 340 H HN 0.260 nan 8.280 nan 0.000 0.419 341 V N 2.847 122.765 119.914 0.008 0.000 2.482 341 V HA 0.328 4.448 4.120 0.001 0.000 0.295 341 V C 0.342 176.386 176.094 -0.083 0.000 1.026 341 V CA -0.730 61.550 62.300 -0.034 0.000 0.856 341 V CB 2.438 34.220 31.823 -0.068 0.000 1.001 341 V HN 0.190 nan 8.190 nan 0.000 0.424 342 I N 5.199 125.721 120.570 -0.080 0.000 2.377 342 I HA 0.470 4.640 4.170 0.001 0.000 0.293 342 I C -0.033 176.005 176.117 -0.133 0.000 0.987 342 I CA -0.733 60.505 61.300 -0.104 0.000 1.185 342 I CB 1.759 39.722 38.000 -0.061 0.000 1.341 342 I HN 0.234 nan 8.210 nan 0.000 0.455 343 V N 7.033 126.850 119.914 -0.161 0.000 2.370 343 V HA 0.422 4.542 4.120 0.001 0.000 0.279 343 V C 0.365 176.454 176.094 -0.008 0.000 1.029 343 V CA -0.464 61.750 62.300 -0.142 0.000 0.870 343 V CB 1.334 33.056 31.823 -0.168 0.000 0.984 343 V HN 0.639 nan 8.190 nan 0.000 0.451 344 M N 3.981 123.527 119.600 -0.089 0.000 2.472 344 M HA 0.820 5.300 4.480 0.001 0.000 0.331 344 M C -0.158 175.798 176.300 -0.572 0.000 1.170 344 M CA -0.338 54.829 55.300 -0.221 0.000 1.009 344 M CB 2.131 34.577 32.600 -0.258 0.000 1.672 344 M HN 0.734 nan 8.290 nan 0.000 0.453 345 A N 1.630 124.100 122.820 -0.583 0.000 2.539 345 A HA 0.969 5.289 4.320 0.001 0.000 0.296 345 A C -1.609 175.698 177.584 -0.462 0.000 1.073 345 A CA -0.680 50.937 52.037 -0.700 0.000 0.700 345 A CB 1.606 20.135 19.000 -0.784 0.000 1.296 345 A HN 0.876 nan 8.150 nan 0.000 0.405 346 A N 0.217 122.902 122.820 -0.224 0.000 2.374 346 A HA 0.963 5.283 4.320 0.001 0.000 0.317 346 A C -0.324 177.269 177.584 0.016 0.000 1.094 346 A CA -0.254 51.808 52.037 0.042 0.000 0.765 346 A CB 1.774 20.971 19.000 0.327 0.000 1.268 346 A HN 1.740 nan 8.150 nan 0.000 0.438 347 T N -0.332 114.250 114.554 0.047 0.000 2.957 347 T HA 0.400 4.750 4.350 0.001 0.000 0.336 347 T C -0.246 174.499 174.700 0.075 0.000 1.462 347 T CA -0.055 62.069 62.100 0.039 0.000 1.073 347 T CB 0.900 69.763 68.868 -0.009 0.000 1.319 347 T HN 0.896 nan 8.240 nan 0.000 0.485 348 N N 1.979 120.713 118.700 0.057 0.000 2.236 348 N HA 0.190 4.931 4.740 0.001 0.000 0.196 348 N C 0.395 175.937 175.510 0.053 0.000 1.114 348 N CA -0.159 52.927 53.050 0.061 0.000 0.859 348 N CB 0.297 38.808 38.487 0.040 0.000 0.982 348 N HN 0.373 nan 8.380 nan 0.000 0.493 349 R N 0.610 121.132 120.500 0.036 0.000 2.653 349 R HA 0.240 4.580 4.340 0.001 0.000 0.269 349 R C -1.966 174.329 176.300 -0.008 0.000 1.603 349 R CA -1.278 54.832 56.100 0.016 0.000 1.671 349 R CB 1.169 31.473 30.300 0.007 0.000 1.300 349 R HN 0.158 nan 8.270 nan 0.000 0.668 350 P HA -0.143 nan 4.420 nan 0.000 0.219 350 P C 0.225 177.471 177.300 -0.091 0.000 1.146 350 P CA 1.169 64.220 63.100 -0.081 0.000 0.808 350 P CB 0.364 31.950 31.700 -0.191 0.000 0.779 351 N N -0.294 118.364 118.700 -0.070 0.000 2.521 351 N HA -0.046 4.695 4.740 0.001 0.000 0.188 351 N C 1.505 176.994 175.510 -0.036 0.000 1.146 351 N CA 0.829 53.845 53.050 -0.057 0.000 0.893 351 N CB -0.481 37.978 38.487 -0.047 0.000 0.975 351 N HN 0.280 nan 8.380 nan 0.000 0.451 352 S N -0.714 114.969 115.700 -0.030 0.000 2.540 352 S HA 0.246 4.717 4.470 0.001 0.000 0.218 352 S C 0.531 175.118 174.600 -0.022 0.000 0.977 352 S CA -0.488 57.701 58.200 -0.018 0.000 0.918 352 S CB -0.015 63.180 63.200 -0.009 0.000 0.806 352 S HN 0.043 nan 8.310 nan 0.000 0.496 353 I N 2.723 123.271 120.570 -0.035 0.000 2.474 353 I HA 0.176 4.346 4.170 0.001 0.000 0.287 353 I C 0.426 176.530 176.117 -0.022 0.000 1.048 353 I CA -0.564 60.714 61.300 -0.037 0.000 1.383 353 I CB 0.616 38.575 38.000 -0.068 0.000 1.412 353 I HN 0.178 nan 8.210 nan 0.000 0.531 354 D N 8.193 128.587 120.400 -0.009 0.000 2.581 354 D HA -0.045 4.596 4.640 0.001 0.000 0.238 354 D C -1.677 174.628 176.300 0.009 0.000 1.145 354 D CA -0.797 53.204 54.000 0.001 0.000 0.866 354 D CB 1.329 42.134 40.800 0.008 0.000 1.151 354 D HN 0.241 nan 8.370 nan 0.000 0.500 355 P HA -0.050 nan 4.420 nan 0.000 0.223 355 P C 0.944 178.261 177.300 0.028 0.000 1.151 355 P CA 0.849 63.955 63.100 0.011 0.000 0.787 355 P CB 0.159 31.861 31.700 0.004 0.000 0.788 356 A N -0.486 122.350 122.820 0.027 0.000 1.978 356 A HA -0.177 4.143 4.320 0.001 0.000 0.220 356 A C 2.023 179.638 177.584 0.052 0.000 1.170 356 A CA 1.457 53.514 52.037 0.032 0.000 0.636 356 A CB -1.637 17.375 19.000 0.020 0.000 0.810 356 A HN 0.150 nan 8.150 nan 0.000 0.448 357 L N -1.668 119.601 121.223 0.077 0.000 2.291 357 L HA 0.047 4.387 4.340 0.001 0.000 0.214 357 L C 2.363 179.354 176.870 0.202 0.000 1.120 357 L CA 1.167 56.101 54.840 0.157 0.000 0.799 357 L CB -0.115 42.062 42.059 0.198 0.000 0.925 357 L HN 0.275 nan 8.230 nan 0.000 0.446 358 R N -1.320 119.253 120.500 0.121 0.000 2.359 358 R HA 0.145 4.485 4.340 0.001 0.000 0.231 358 R C 0.496 176.842 176.300 0.076 0.000 0.913 358 R CA -0.159 56.007 56.100 0.109 0.000 1.075 358 R CB 0.206 30.535 30.300 0.048 0.000 1.087 358 R HN 0.087 nan 8.270 nan 0.000 0.515 359 R N -0.667 119.875 120.500 0.071 0.000 2.583 359 R HA 0.132 4.472 4.340 0.001 0.000 0.268 359 R C -0.633 175.719 176.300 0.087 0.000 1.101 359 R CA -0.510 55.642 56.100 0.086 0.000 1.180 359 R CB 0.279 30.628 30.300 0.082 0.000 1.128 359 R HN -0.039 nan 8.270 nan 0.000 0.568 360 F N 1.058 121.005 119.950 -0.005 0.000 2.604 360 F HA 0.074 4.602 4.527 0.000 0.000 0.393 360 F C 1.408 177.188 175.800 -0.033 0.000 1.043 360 F CA 2.264 60.255 58.000 -0.014 0.000 1.227 360 F CB 0.242 39.235 39.000 -0.011 0.000 1.016 360 F HN 0.741 nan 8.300 nan 0.000 0.556 361 G N 4.067 112.504 108.800 -0.606 0.000 2.268 361 G HA2 -0.329 3.631 3.960 0.001 0.000 0.240 361 G HA3 -0.329 3.631 3.960 0.001 0.000 0.240 361 G C 0.840 175.569 174.900 -0.284 0.000 1.010 361 G CA 0.439 45.305 45.100 -0.391 0.000 0.618 361 G HN 0.711 nan 8.290 nan 0.000 0.516 362 R N -0.717 119.644 120.500 -0.232 0.000 1.734 362 R HA 0.682 5.022 4.340 0.001 0.000 0.117 362 R C 0.233 176.290 176.300 -0.405 0.000 1.243 362 R CA -0.308 55.614 56.100 -0.296 0.000 1.776 362 R CB -0.499 29.726 30.300 -0.125 0.000 1.324 362 R HN 0.072 nan 8.270 nan 0.000 0.640 363 F N 2.623 122.535 119.950 -0.065 0.000 2.678 363 F HA 0.065 4.592 4.527 0.001 0.000 0.358 363 F C 0.510 176.270 175.800 -0.067 0.000 1.256 363 F CA -0.108 57.853 58.000 -0.066 0.000 1.278 363 F CB -0.256 38.714 39.000 -0.050 0.000 1.681 363 F HN 0.401 nan 8.300 nan 0.000 0.661 364 D N -0.147 120.229 120.400 -0.040 0.000 2.328 364 D HA 0.013 4.653 4.640 0.001 0.000 0.221 364 D C 0.478 176.767 176.300 -0.018 0.000 1.072 364 D CA 0.099 54.064 54.000 -0.060 0.000 0.850 364 D CB 0.182 40.838 40.800 -0.240 0.000 0.922 364 D HN 0.130 nan 8.370 nan 0.000 0.516 365 R N 0.789 121.307 120.500 0.030 0.000 2.575 365 R HA 0.383 4.723 4.340 0.001 0.000 0.293 365 R C -0.559 175.809 176.300 0.113 0.000 0.983 365 R CA -0.386 55.748 56.100 0.057 0.000 0.887 365 R CB 2.041 32.360 30.300 0.031 0.000 1.184 365 R HN 0.149 nan 8.270 nan 0.000 0.445 366 E N 2.190 122.470 120.200 0.134 0.000 2.176 366 E HA 0.395 4.746 4.350 0.001 0.000 0.267 366 E C -0.665 176.072 176.600 0.228 0.000 0.893 366 E CA -0.939 55.597 56.400 0.227 0.000 0.761 366 E CB 2.907 32.760 29.700 0.255 0.000 1.133 366 E HN 0.107 nan 8.360 nan 0.000 0.409 367 V N 2.346 122.380 119.914 0.199 0.000 2.378 367 V HA 0.090 4.211 4.120 0.001 0.000 0.288 367 V C -0.339 175.656 176.094 -0.166 0.000 1.016 367 V CA -0.810 61.524 62.300 0.057 0.000 0.840 367 V CB 1.581 33.433 31.823 0.049 0.000 0.994 367 V HN 0.600 nan 8.190 nan 0.000 0.431 368 D N 5.416 125.644 120.400 -0.287 0.000 2.453 368 D HA 0.185 4.825 4.640 0.001 0.000 0.223 368 D C 0.124 176.198 176.300 -0.377 0.000 1.183 368 D CA -0.448 53.144 54.000 -0.681 0.000 0.933 368 D CB 0.398 40.949 40.800 -0.415 0.000 1.038 368 D HN 0.278 nan 8.370 nan 0.000 0.513 369 I N 3.965 124.324 120.570 -0.352 0.000 2.278 369 I HA 0.255 4.425 4.170 0.001 0.000 0.300 369 I C 1.355 177.373 176.117 -0.164 0.000 1.174 369 I CA -0.276 60.921 61.300 -0.172 0.000 1.347 369 I CB -0.373 37.578 38.000 -0.082 0.000 1.473 369 I HN 0.240 nan 8.210 nan 0.000 0.595 370 G N 5.611 114.329 108.800 -0.137 0.000 2.510 370 G HA2 0.588 4.548 3.960 0.001 0.000 0.280 370 G HA3 0.588 4.548 3.960 0.001 0.000 0.280 370 G C 0.064 174.929 174.900 -0.058 0.000 1.386 370 G CA -0.800 44.242 45.100 -0.097 0.000 1.047 370 G HN 0.416 nan 8.290 nan 0.000 0.527 371 I N 2.288 122.829 120.570 -0.048 0.000 2.588 371 I HA 0.162 4.333 4.170 0.001 0.000 0.283 371 I C -1.413 174.684 176.117 -0.034 0.000 1.119 371 I CA -1.089 60.183 61.300 -0.046 0.000 1.419 371 I CB 1.083 39.043 38.000 -0.067 0.000 1.394 371 I HN 0.250 nan 8.210 nan 0.000 0.562 372 P HA 0.149 nan 4.420 nan 0.000 0.278 372 P C -1.173 176.130 177.300 0.005 0.000 1.238 372 P CA -0.522 62.576 63.100 -0.003 0.000 0.794 372 P CB 0.625 32.330 31.700 0.009 0.000 0.955 373 D N 1.033 121.445 120.400 0.020 0.000 2.414 373 D HA 0.106 4.746 4.640 0.001 0.000 0.251 373 D C 1.352 177.682 176.300 0.050 0.000 1.252 373 D CA -0.446 53.580 54.000 0.044 0.000 0.999 373 D CB -0.126 40.698 40.800 0.040 0.000 1.093 373 D HN 0.301 nan 8.370 nan 0.000 0.515 374 A N -0.052 122.807 122.820 0.064 0.000 1.903 374 A HA -0.225 4.096 4.320 0.001 0.000 0.219 374 A C 2.134 179.733 177.584 0.025 0.000 1.191 374 A CA 2.932 54.998 52.037 0.048 0.000 0.638 374 A CB -1.512 17.512 19.000 0.039 0.000 0.823 374 A HN 0.718 nan 8.150 nan 0.000 0.451 375 T N -0.445 114.122 114.554 0.021 0.000 2.821 375 T HA 0.017 4.368 4.350 0.001 0.000 0.267 375 T C 1.962 176.671 174.700 0.015 0.000 1.046 375 T CA 1.241 63.349 62.100 0.013 0.000 1.139 375 T CB -0.750 68.125 68.868 0.011 0.000 0.871 375 T HN 0.591 nan 8.240 nan 0.000 0.454 376 G N 2.030 110.842 108.800 0.019 0.000 2.480 376 G HA2 -0.260 3.700 3.960 0.001 0.000 0.216 376 G HA3 -0.260 3.700 3.960 0.001 0.000 0.216 376 G C 1.721 176.636 174.900 0.024 0.000 1.200 376 G CA 0.534 45.646 45.100 0.021 0.000 0.782 376 G HN 0.432 nan 8.290 nan 0.000 0.554 377 R N -0.327 120.187 120.500 0.023 0.000 2.105 377 R HA -0.042 4.299 4.340 0.001 0.000 0.239 377 R C 2.505 178.814 176.300 0.015 0.000 1.135 377 R CA 1.218 57.331 56.100 0.021 0.000 0.967 377 R CB -0.585 29.725 30.300 0.016 0.000 0.861 377 R HN 0.400 nan 8.270 nan 0.000 0.442 378 L N 1.571 122.799 121.223 0.007 0.000 2.012 378 L HA -0.170 4.171 4.340 0.001 0.000 0.210 378 L C 1.916 178.795 176.870 0.014 0.000 1.073 378 L CA 1.860 56.699 54.840 -0.001 0.000 0.748 378 L CB -0.418 41.636 42.059 -0.007 0.000 0.891 378 L HN 0.119 nan 8.230 nan 0.000 0.431 379 E N -0.295 119.918 120.200 0.022 0.000 2.058 379 E HA -0.256 4.094 4.350 0.001 0.000 0.194 379 E C 2.222 178.856 176.600 0.056 0.000 0.997 379 E CA 2.000 58.419 56.400 0.032 0.000 0.801 379 E CB -0.289 29.429 29.700 0.030 0.000 0.746 379 E HN 0.623 nan 8.360 nan 0.000 0.450 380 I N 0.813 121.424 120.570 0.068 0.000 2.286 380 I HA -0.275 3.895 4.170 0.001 0.000 0.248 380 I C 2.279 178.496 176.117 0.168 0.000 1.115 380 I CA 0.916 62.288 61.300 0.120 0.000 1.392 380 I CB -0.136 37.913 38.000 0.081 0.000 1.065 380 I HN 0.084 nan 8.210 nan 0.000 0.418 381 L N -0.230 121.052 121.223 0.099 0.000 2.156 381 L HA -0.186 4.154 4.340 0.001 0.000 0.208 381 L C 2.534 179.465 176.870 0.102 0.000 1.095 381 L CA 1.178 56.083 54.840 0.107 0.000 0.770 381 L CB -0.517 41.565 42.059 0.038 0.000 0.914 381 L HN 0.285 nan 8.230 nan 0.000 0.439 382 Q N -0.069 119.768 119.800 0.062 0.000 2.119 382 Q HA -0.134 4.206 4.340 0.001 0.000 0.201 382 Q C 2.305 178.330 176.000 0.041 0.000 0.972 382 Q CA 1.256 57.083 55.803 0.039 0.000 0.847 382 Q CB 0.002 28.752 28.738 0.019 0.000 0.903 382 Q HN 0.530 nan 8.270 nan 0.000 0.433 383 I N -0.491 120.112 120.570 0.055 0.000 2.286 383 I HA -0.237 3.934 4.170 0.001 0.000 0.245 383 I C 1.680 177.744 176.117 -0.088 0.000 1.104 383 I CA 1.119 62.418 61.300 -0.002 0.000 1.397 383 I CB -0.115 37.892 38.000 0.010 0.000 1.072 383 I HN 0.188 nan 8.210 nan 0.000 0.417 384 H N -0.168 118.924 119.070 0.038 0.000 2.495 384 H HA -0.060 4.497 4.556 0.001 0.000 0.287 384 H C 1.951 177.316 175.328 0.062 0.000 1.033 384 H CA 1.702 57.779 56.048 0.049 0.000 1.307 384 H CB 0.018 29.817 29.762 0.063 0.000 1.401 384 H HN 0.359 nan 8.280 nan 0.000 0.555 385 T N -2.162 112.465 114.554 0.123 0.000 3.092 385 T HA 0.039 4.389 4.350 0.001 0.000 0.258 385 T C 1.551 176.283 174.700 0.053 0.000 1.031 385 T CA -0.250 61.917 62.100 0.113 0.000 0.925 385 T CB 0.112 69.071 68.868 0.152 0.000 1.036 385 T HN 0.439 nan 8.240 nan 0.000 0.544 386 K N 1.664 122.074 120.400 0.017 0.000 2.280 386 K HA -0.012 4.308 4.320 0.001 0.000 0.202 386 K C 1.214 177.814 176.600 -0.001 0.000 1.047 386 K CA 1.203 57.491 56.287 0.001 0.000 0.942 386 K CB -0.210 32.280 32.500 -0.017 0.000 0.739 386 K HN 0.189 nan 8.250 nan 0.000 0.457 387 N N 0.014 118.713 118.700 -0.002 0.000 2.205 387 N HA 0.161 4.901 4.740 0.001 0.000 0.201 387 N C -0.300 175.219 175.510 0.015 0.000 1.128 387 N CA 0.165 53.214 53.050 -0.002 0.000 0.867 387 N CB 0.466 38.943 38.487 -0.017 0.000 0.996 387 N HN 0.229 nan 8.380 nan 0.000 0.503 388 M N 0.660 120.282 119.600 0.035 0.000 2.277 388 M HA 0.227 4.708 4.480 0.001 0.000 0.350 388 M C 0.243 176.574 176.300 0.052 0.000 1.180 388 M CA -0.246 55.085 55.300 0.052 0.000 1.103 388 M CB 1.680 34.336 32.600 0.092 0.000 1.577 388 M HN -0.350 nan 8.290 nan 0.000 0.459 389 K N 4.022 124.449 120.400 0.045 0.000 2.292 389 K HA 0.412 4.732 4.320 0.001 0.000 0.290 389 K C -1.123 175.517 176.600 0.067 0.000 1.083 389 K CA 0.019 56.331 56.287 0.042 0.000 0.918 389 K CB 0.255 32.772 32.500 0.027 0.000 1.089 389 K HN 0.562 nan 8.250 nan 0.000 0.473 390 L N 2.310 123.575 121.223 0.071 0.000 2.334 390 L HA 0.475 4.816 4.340 0.001 0.000 0.273 390 L C 0.355 177.263 176.870 0.064 0.000 1.013 390 L CA -0.957 53.940 54.840 0.095 0.000 0.816 390 L CB 1.747 43.863 42.059 0.094 0.000 1.278 390 L HN 0.585 nan 8.230 nan 0.000 0.431 391 A N 0.649 123.513 122.820 0.073 0.000 2.366 391 A HA 0.061 4.382 4.320 0.001 0.000 0.249 391 A C 0.931 178.533 177.584 0.029 0.000 1.084 391 A CA -0.229 51.837 52.037 0.048 0.000 0.794 391 A CB 0.302 19.335 19.000 0.056 0.000 1.034 391 A HN 0.880 nan 8.150 nan 0.000 0.491 392 D N 0.217 120.628 120.400 0.019 0.000 2.172 392 D HA -0.205 4.435 4.640 0.001 0.000 0.196 392 D C 1.104 177.406 176.300 0.003 0.000 0.999 392 D CA 2.019 56.025 54.000 0.009 0.000 0.856 392 D CB -0.023 40.782 40.800 0.008 0.000 0.934 392 D HN 0.692 nan 8.370 nan 0.000 0.453 393 D N -0.607 119.799 120.400 0.010 0.000 2.349 393 D HA -0.059 4.582 4.640 0.001 0.000 0.215 393 D C 0.407 176.702 176.300 -0.009 0.000 1.016 393 D CA -0.151 53.852 54.000 0.005 0.000 0.870 393 D CB -0.380 40.429 40.800 0.016 0.000 0.917 393 D HN -0.009 nan 8.370 nan 0.000 0.524 394 V N 1.689 121.593 119.914 -0.016 0.000 2.425 394 V HA 0.075 4.196 4.120 0.001 0.000 0.276 394 V C -0.029 175.989 176.094 -0.127 0.000 1.017 394 V CA -0.122 62.128 62.300 -0.082 0.000 1.062 394 V CB 0.345 32.120 31.823 -0.080 0.000 0.997 394 V HN 0.079 nan 8.190 nan 0.000 0.476 395 D N 4.617 124.927 120.400 -0.150 0.000 2.460 395 D HA 0.386 5.027 4.640 0.001 0.000 0.232 395 D C 0.562 176.746 176.300 -0.192 0.000 1.079 395 D CA -0.502 53.419 54.000 -0.133 0.000 0.864 395 D CB 1.524 42.275 40.800 -0.081 0.000 1.048 395 D HN 0.267 nan 8.370 nan 0.000 0.523 396 L N 2.809 123.913 121.223 -0.198 0.000 2.156 396 L HA 0.081 4.421 4.340 0.001 0.000 0.208 396 L C 2.163 178.954 176.870 -0.132 0.000 1.095 396 L CA 0.909 55.618 54.840 -0.218 0.000 0.770 396 L CB -0.434 41.519 42.059 -0.176 0.000 0.914 396 L HN 0.444 nan 8.230 nan 0.000 0.439 397 E N -0.125 120.020 120.200 -0.092 0.000 2.118 397 E HA -0.310 4.040 4.350 0.001 0.000 0.195 397 E C 2.183 178.747 176.600 -0.060 0.000 0.992 397 E CA 1.271 57.634 56.400 -0.061 0.000 0.804 397 E CB -0.017 29.656 29.700 -0.045 0.000 0.741 397 E HN 0.457 nan 8.360 nan 0.000 0.458 398 Q N 0.563 120.320 119.800 -0.072 0.000 2.084 398 Q HA -0.141 4.199 4.340 0.001 0.000 0.202 398 Q C 1.998 177.957 176.000 -0.069 0.000 0.978 398 Q CA 1.532 57.297 55.803 -0.062 0.000 0.844 398 Q CB -0.057 28.644 28.738 -0.061 0.000 0.898 398 Q HN 0.113 nan 8.270 nan 0.000 0.426 399 V N 0.759 120.608 119.914 -0.107 0.000 2.427 399 V HA -0.175 3.946 4.120 0.001 0.000 0.248 399 V C 2.317 178.363 176.094 -0.081 0.000 1.051 399 V CA 1.541 63.780 62.300 -0.101 0.000 1.048 399 V CB -1.260 30.454 31.823 -0.181 0.000 0.666 399 V HN 0.522 nan 8.190 nan 0.000 0.456 400 A N 0.627 123.404 122.820 -0.071 0.000 1.933 400 A HA -0.197 4.123 4.320 0.001 0.000 0.218 400 A C 2.039 179.608 177.584 -0.025 0.000 1.175 400 A CA 1.946 53.957 52.037 -0.043 0.000 0.628 400 A CB -0.547 18.436 19.000 -0.030 0.000 0.814 400 A HN 0.586 nan 8.150 nan 0.000 0.444 401 N N -0.150 118.534 118.700 -0.026 0.000 2.354 401 N HA -0.053 4.687 4.740 0.001 0.000 0.179 401 N C 1.188 176.692 175.510 -0.009 0.000 1.021 401 N CA 0.919 53.963 53.050 -0.011 0.000 0.887 401 N CB -0.223 38.253 38.487 -0.019 0.000 0.974 401 N HN 0.648 nan 8.380 nan 0.000 0.437 402 E N -0.145 120.038 120.200 -0.029 0.000 2.502 402 E HA 0.014 4.364 4.350 0.001 0.000 0.194 402 E C 0.096 176.668 176.600 -0.047 0.000 1.062 402 E CA 0.427 56.810 56.400 -0.028 0.000 0.867 402 E CB 0.173 29.854 29.700 -0.031 0.000 0.888 402 E HN 0.322 nan 8.360 nan 0.000 0.510 403 T N -2.664 111.849 114.554 -0.069 0.000 3.313 403 T HA 0.109 4.460 4.350 0.001 0.000 0.263 403 T C 0.731 175.502 174.700 0.118 0.000 0.983 403 T CA -0.508 61.483 62.100 -0.183 0.000 0.963 403 T CB 0.072 68.653 68.868 -0.480 0.000 1.141 403 T HN 0.041 nan 8.240 nan 0.000 0.526 404 H N 2.244 121.357 119.070 0.070 0.000 2.426 404 H HA -0.007 4.550 4.556 0.000 0.000 0.298 404 H C 2.177 177.574 175.328 0.115 0.000 1.107 404 H CA 2.139 58.234 56.048 0.078 0.000 1.298 404 H CB -0.464 29.325 29.762 0.045 0.000 1.377 404 H HN 0.567 nan 8.280 nan 0.000 0.519 405 G N -1.751 107.125 108.800 0.127 0.000 2.813 405 G HA2 -0.073 3.887 3.960 0.001 0.000 0.209 405 G HA3 -0.073 3.887 3.960 0.001 0.000 0.209 405 G C -0.252 174.600 174.900 -0.080 0.000 1.150 405 G CA -0.126 44.951 45.100 -0.040 0.000 0.785 405 G HN 0.390 nan 8.290 nan 0.000 0.535 406 H N -0.357 118.668 119.070 -0.074 0.000 2.548 406 H HA 0.440 4.997 4.556 0.001 0.000 0.331 406 H C 0.540 175.834 175.328 -0.057 0.000 1.093 406 H CA -0.631 55.385 56.048 -0.053 0.000 1.367 406 H CB 1.673 31.416 29.762 -0.030 0.000 1.455 406 H HN 0.079 nan 8.280 nan 0.000 0.519 407 V N 0.640 120.561 119.914 0.012 0.000 3.234 407 V HA 0.532 4.653 4.120 0.001 0.000 0.317 407 V C 1.535 177.635 176.094 0.010 0.000 1.081 407 V CA -0.096 62.203 62.300 -0.002 0.000 1.037 407 V CB 1.127 32.931 31.823 -0.032 0.000 1.148 407 V HN 0.825 nan 8.190 nan 0.000 0.453 408 G N 0.115 108.914 108.800 -0.002 0.000 2.513 408 G HA2 -0.243 3.718 3.960 0.001 0.000 0.219 408 G HA3 -0.243 3.718 3.960 0.001 0.000 0.219 408 G C 1.489 176.344 174.900 -0.074 0.000 1.160 408 G CA 1.549 46.635 45.100 -0.023 0.000 0.767 408 G HN 1.485 nan 8.290 nan 0.000 0.571 409 A N 0.862 123.655 122.820 -0.044 0.000 1.933 409 A HA -0.072 4.248 4.320 0.001 0.000 0.218 409 A C 2.109 179.661 177.584 -0.053 0.000 1.175 409 A CA 2.111 54.118 52.037 -0.050 0.000 0.628 409 A CB -0.407 18.577 19.000 -0.027 0.000 0.814 409 A HN 0.317 nan 8.150 nan 0.000 0.444 410 D N 0.102 120.482 120.400 -0.032 0.000 2.117 410 D HA -0.121 4.519 4.640 0.001 0.000 0.197 410 D C 1.949 178.293 176.300 0.073 0.000 0.987 410 D CA 1.202 55.209 54.000 0.011 0.000 0.829 410 D CB -0.317 40.462 40.800 -0.033 0.000 0.961 410 D HN 0.474 nan 8.370 nan 0.000 0.460 411 L N 0.753 121.995 121.223 0.033 0.000 2.093 411 L HA -0.099 4.241 4.340 0.001 0.000 0.208 411 L C 2.613 179.401 176.870 -0.137 0.000 1.085 411 L CA 0.921 55.751 54.840 -0.016 0.000 0.755 411 L CB -0.402 41.636 42.059 -0.035 0.000 0.904 411 L HN -0.048 nan 8.230 nan 0.000 0.435 412 A N 0.301 122.927 122.820 -0.325 0.000 1.883 412 A HA -0.220 4.100 4.320 0.001 0.000 0.217 412 A C 2.536 180.055 177.584 -0.109 0.000 1.186 412 A CA 1.964 53.747 52.037 -0.422 0.000 0.624 412 A CB -0.799 17.962 19.000 -0.397 0.000 0.822 412 A HN 0.395 nan 8.150 nan 0.000 0.444 413 A N -0.801 121.983 122.820 -0.060 0.000 1.930 413 A HA 0.001 4.321 4.320 0.001 0.000 0.217 413 A C 2.157 179.739 177.584 -0.004 0.000 1.175 413 A CA 1.596 53.624 52.037 -0.015 0.000 0.627 413 A CB -0.592 18.402 19.000 -0.010 0.000 0.815 413 A HN 0.647 nan 8.150 nan 0.000 0.443 414 L N -0.415 120.813 121.223 0.008 0.000 2.046 414 L HA -0.204 4.136 4.340 0.001 0.000 0.208 414 L C 2.475 179.321 176.870 -0.039 0.000 1.077 414 L CA 2.280 57.127 54.840 0.012 0.000 0.747 414 L CB -0.523 41.570 42.059 0.057 0.000 0.896 414 L HN 0.460 nan 8.230 nan 0.000 0.432 415 C N -1.711 117.590 119.300 0.001 0.000 2.440 415 C HA -0.111 4.349 4.460 0.001 0.000 0.278 415 C C 3.185 178.141 174.990 -0.057 0.000 1.295 415 C CA 1.080 60.090 59.018 -0.012 0.000 1.738 415 C CB -0.920 26.904 27.740 0.141 0.000 1.987 415 C HN 0.707 nan 8.230 nan 0.000 0.492 416 S N 0.193 115.887 115.700 -0.010 0.000 2.368 416 S HA -0.153 4.317 4.470 0.001 0.000 0.225 416 S C 1.950 176.541 174.600 -0.014 0.000 1.030 416 S CA 1.426 59.625 58.200 -0.002 0.000 0.999 416 S CB -0.263 62.948 63.200 0.018 0.000 0.844 416 S HN 0.577 nan 8.310 nan 0.000 0.459 417 E N 0.810 121.007 120.200 -0.005 0.000 2.152 417 E HA 0.039 4.390 4.350 0.001 0.000 0.192 417 E C 2.296 178.931 176.600 0.059 0.000 0.983 417 E CA 0.910 57.351 56.400 0.069 0.000 0.818 417 E CB -0.457 29.310 29.700 0.111 0.000 0.758 417 E HN 0.572 nan 8.360 nan 0.000 0.467 418 A N 1.410 124.155 122.820 -0.126 0.000 1.933 418 A HA -0.087 4.234 4.320 0.001 0.000 0.218 418 A C 2.390 179.839 177.584 -0.225 0.000 1.175 418 A CA 1.872 53.724 52.037 -0.309 0.000 0.628 418 A CB -0.446 17.952 19.000 -1.004 0.000 0.814 418 A HN 0.257 nan 8.150 nan 0.000 0.444 419 A N -0.650 122.066 122.820 -0.173 0.000 1.930 419 A HA 0.008 4.328 4.320 0.001 0.000 0.217 419 A C 2.174 179.715 177.584 -0.071 0.000 1.175 419 A CA 1.403 53.383 52.037 -0.096 0.000 0.627 419 A CB -0.528 18.440 19.000 -0.054 0.000 0.815 419 A HN 0.493 nan 8.150 nan 0.000 0.443 420 L N -1.072 120.119 121.223 -0.053 0.000 2.141 420 L HA -0.195 4.145 4.340 0.001 0.000 0.209 420 L C 2.744 179.541 176.870 -0.122 0.000 1.094 420 L CA 1.726 56.533 54.840 -0.056 0.000 0.763 420 L CB -0.163 41.889 42.059 -0.010 0.000 0.908 420 L HN 0.491 nan 8.230 nan 0.000 0.437 421 Q N -0.252 119.457 119.800 -0.152 0.000 2.084 421 Q HA -0.178 4.162 4.340 0.001 0.000 0.202 421 Q C 2.129 178.009 176.000 -0.201 0.000 0.978 421 Q CA 1.985 57.616 55.803 -0.288 0.000 0.844 421 Q CB -0.262 28.318 28.738 -0.262 0.000 0.898 421 Q HN 0.517 nan 8.270 nan 0.000 0.426 422 A N -0.004 122.741 122.820 -0.125 0.000 1.940 422 A HA -0.161 4.159 4.320 0.001 0.000 0.219 422 A C 2.079 179.613 177.584 -0.082 0.000 1.176 422 A CA 1.545 53.531 52.037 -0.085 0.000 0.631 422 A CB -0.708 18.260 19.000 -0.054 0.000 0.814 422 A HN 0.483 nan 8.150 nan 0.000 0.446 423 I N -1.352 119.166 120.570 -0.086 0.000 2.353 423 I HA -0.189 3.981 4.170 0.001 0.000 0.248 423 I C 2.697 178.757 176.117 -0.094 0.000 1.119 423 I CA 0.999 62.254 61.300 -0.075 0.000 1.417 423 I CB -0.244 37.719 38.000 -0.062 0.000 1.078 423 I HN 0.244 nan 8.210 nan 0.000 0.421 424 R N 0.812 121.230 120.500 -0.137 0.000 2.120 424 R HA -0.135 4.205 4.340 0.001 0.000 0.234 424 R C 2.151 178.366 176.300 -0.142 0.000 1.123 424 R CA 1.163 57.166 56.100 -0.162 0.000 0.975 424 R CB -0.088 30.056 30.300 -0.259 0.000 0.866 424 R HN 0.303 nan 8.270 nan 0.000 0.446 425 K N -0.139 120.180 120.400 -0.135 0.000 2.283 425 K HA -0.109 4.211 4.320 0.001 0.000 0.202 425 K C 1.508 178.065 176.600 -0.071 0.000 1.048 425 K CA 0.910 57.136 56.287 -0.101 0.000 0.948 425 K CB 0.146 32.592 32.500 -0.089 0.000 0.742 425 K HN -0.160 nan 8.250 nan 0.000 0.458 426 K N 0.056 120.416 120.400 -0.066 0.000 2.387 426 K HA 0.175 4.496 4.320 0.001 0.000 0.198 426 K C 1.154 177.726 176.600 -0.047 0.000 1.022 426 K CA 0.069 56.327 56.287 -0.048 0.000 1.128 426 K CB 0.342 32.818 32.500 -0.041 0.000 0.853 426 K HN -0.064 nan 8.250 nan 0.000 0.523 427 M N 0.946 120.512 119.600 -0.056 0.000 2.446 427 M HA -0.126 4.354 4.480 0.001 0.000 0.263 427 M C 0.492 176.768 176.300 -0.040 0.000 1.066 427 M CA 1.364 56.633 55.300 -0.051 0.000 1.087 427 M CB -0.440 32.124 32.600 -0.061 0.000 1.406 427 M HN 0.148 nan 8.290 nan 0.000 0.459 428 D N -0.102 120.275 120.400 -0.038 0.000 2.123 428 D HA -0.048 4.592 4.640 0.001 0.000 0.200 428 D C 1.707 177.992 176.300 -0.025 0.000 0.976 428 D CA 1.116 55.098 54.000 -0.030 0.000 0.831 428 D CB 0.111 40.894 40.800 -0.029 0.000 0.974 428 D HN 0.322 nan 8.370 nan 0.000 0.469 429 L N 0.321 121.529 121.223 -0.025 0.000 2.592 429 L HA 0.203 4.543 4.340 0.001 0.000 0.227 429 L C 0.602 177.459 176.870 -0.021 0.000 1.127 429 L CA 0.297 55.124 54.840 -0.021 0.000 0.884 429 L CB 0.142 42.189 42.059 -0.020 0.000 1.065 429 L HN -0.135 nan 8.230 nan 0.000 0.457 430 I N -1.184 119.371 120.570 -0.025 0.000 2.530 430 I HA 0.386 4.557 4.170 0.001 0.000 0.297 430 I C -0.916 175.187 176.117 -0.023 0.000 1.011 430 I CA -0.525 60.760 61.300 -0.024 0.000 1.107 430 I CB 2.071 40.054 38.000 -0.028 0.000 1.285 430 I HN -0.165 nan 8.210 nan 0.000 0.436 431 D N 3.059 123.446 120.400 -0.020 0.000 2.879 431 D HA 0.317 4.957 4.640 0.001 0.000 0.236 431 D C 0.256 176.546 176.300 -0.018 0.000 1.171 431 D CA -0.535 53.454 54.000 -0.019 0.000 0.868 431 D CB 2.476 43.266 40.800 -0.017 0.000 1.598 431 D HN 0.292 nan 8.370 nan 0.000 0.497 432 L N 2.347 123.560 121.223 -0.017 0.000 2.191 432 L HA -0.047 4.293 4.340 0.001 0.000 0.212 432 L C 1.662 178.524 176.870 -0.013 0.000 1.103 432 L CA 1.677 56.507 54.840 -0.016 0.000 0.769 432 L CB -0.061 41.989 42.059 -0.015 0.000 0.908 432 L HN 0.477 nan 8.230 nan 0.000 0.438 433 E N -0.441 119.752 120.200 -0.013 0.000 2.285 433 E HA -0.029 4.322 4.350 0.001 0.000 0.194 433 E C 0.126 176.719 176.600 -0.011 0.000 0.997 433 E CA 0.133 56.526 56.400 -0.011 0.000 0.845 433 E CB -0.448 29.246 29.700 -0.010 0.000 0.782 433 E HN 0.535 nan 8.360 nan 0.000 0.491 434 D N 1.426 121.818 120.400 -0.012 0.000 2.382 434 D HA -0.031 4.610 4.640 0.001 0.000 0.240 434 D C 1.086 177.379 176.300 -0.012 0.000 1.146 434 D CA 0.090 54.083 54.000 -0.012 0.000 0.897 434 D CB 1.250 42.042 40.800 -0.013 0.000 1.197 434 D HN 0.018 nan 8.370 nan 0.000 0.432 435 E N -0.042 120.151 120.200 -0.011 0.000 2.046 435 E HA -0.088 4.262 4.350 0.001 0.000 0.190 435 E C 0.115 176.708 176.600 -0.012 0.000 0.982 435 E CA 0.899 57.292 56.400 -0.011 0.000 0.800 435 E CB 0.397 30.091 29.700 -0.010 0.000 0.756 435 E HN 0.639 nan 8.360 nan 0.000 0.449 436 T N -1.914 112.633 114.554 -0.012 0.000 2.864 436 T HA 0.516 4.867 4.350 0.001 0.000 0.299 436 T C -0.184 174.507 174.700 -0.014 0.000 1.166 436 T CA -0.817 61.275 62.100 -0.013 0.000 1.007 436 T CB 1.490 70.350 68.868 -0.013 0.000 1.219 436 T HN -0.022 nan 8.240 nan 0.000 0.506 437 I N 1.589 122.150 120.570 -0.015 0.000 2.428 437 I HA 0.220 4.391 4.170 0.001 0.000 0.289 437 I C 0.497 176.605 176.117 -0.014 0.000 1.019 437 I CA -0.311 60.980 61.300 -0.015 0.000 1.351 437 I CB 0.801 38.791 38.000 -0.017 0.000 1.412 437 I HN 0.784 nan 8.210 nan 0.000 0.513 438 D N 4.562 124.953 120.400 -0.014 0.000 2.583 438 D HA -0.011 4.629 4.640 0.001 0.000 0.232 438 D C 1.056 177.349 176.300 -0.012 0.000 1.128 438 D CA 0.687 54.680 54.000 -0.013 0.000 0.859 438 D CB 1.085 41.878 40.800 -0.013 0.000 1.169 438 D HN 0.622 nan 8.370 nan 0.000 0.481 439 A N 3.813 126.626 122.820 -0.011 0.000 1.865 439 A HA -0.258 4.063 4.320 0.001 0.000 0.217 439 A C 1.946 179.524 177.584 -0.010 0.000 1.191 439 A CA 2.050 54.081 52.037 -0.011 0.000 0.623 439 A CB -0.850 18.144 19.000 -0.010 0.000 0.826 439 A HN 0.794 nan 8.150 nan 0.000 0.444 440 E N 0.282 120.477 120.200 -0.009 0.000 2.085 440 E HA -0.147 4.203 4.350 0.001 0.000 0.194 440 E C 1.657 178.251 176.600 -0.010 0.000 0.994 440 E CA 2.004 58.398 56.400 -0.009 0.000 0.801 440 E CB -0.820 28.875 29.700 -0.008 0.000 0.743 440 E HN 0.239 nan 8.360 nan 0.000 0.453 441 V N 0.466 120.373 119.914 -0.011 0.000 2.392 441 V HA -0.283 3.838 4.120 0.001 0.000 0.249 441 V C 2.551 178.636 176.094 -0.013 0.000 1.059 441 V CA 2.122 64.413 62.300 -0.014 0.000 1.051 441 V CB -0.589 31.225 31.823 -0.016 0.000 0.658 441 V HN 0.328 nan 8.190 nan 0.000 0.455 442 M N 0.650 120.242 119.600 -0.013 0.000 2.117 442 M HA -0.159 4.321 4.480 0.001 0.000 0.262 442 M C 1.804 178.099 176.300 -0.009 0.000 1.065 442 M CA 2.096 57.389 55.300 -0.012 0.000 1.114 442 M CB -0.714 31.879 32.600 -0.012 0.000 1.361 442 M HN 0.489 nan 8.290 nan 0.000 0.408 443 N N -1.072 117.623 118.700 -0.008 0.000 2.171 443 N HA -0.115 4.625 4.740 0.001 0.000 0.184 443 N C 1.515 177.023 175.510 -0.003 0.000 1.021 443 N CA 1.402 54.449 53.050 -0.005 0.000 0.854 443 N CB -0.306 38.178 38.487 -0.005 0.000 0.994 443 N HN 0.425 nan 8.380 nan 0.000 0.426 444 S N 0.931 116.629 115.700 -0.005 0.000 2.507 444 S HA -0.032 4.438 4.470 0.001 0.000 0.235 444 S C 0.776 175.374 174.600 -0.003 0.000 0.988 444 S CA 0.198 58.396 58.200 -0.003 0.000 0.944 444 S CB -0.634 62.562 63.200 -0.006 0.000 0.762 444 S HN 0.210 nan 8.310 nan 0.000 0.526 445 L N 2.534 123.754 121.223 -0.005 0.000 2.774 445 L HA 0.268 4.609 4.340 0.001 0.000 0.279 445 L C 0.430 177.303 176.870 0.005 0.000 1.137 445 L CA -0.162 54.675 54.840 -0.005 0.000 1.021 445 L CB -0.487 41.566 42.059 -0.009 0.000 1.366 445 L HN 0.408 nan 8.230 nan 0.000 0.471 446 A N 3.906 126.732 122.820 0.010 0.000 2.371 446 A HA 0.685 5.006 4.320 0.001 0.000 0.311 446 A C -0.644 176.962 177.584 0.036 0.000 1.068 446 A CA -0.537 51.516 52.037 0.027 0.000 0.744 446 A CB 1.669 20.686 19.000 0.029 0.000 1.239 446 A HN 0.247 nan 8.150 nan 0.000 0.435 447 V N 3.029 122.982 119.914 0.065 0.000 2.385 447 V HA 0.413 4.533 4.120 0.001 0.000 0.269 447 V C 0.981 177.175 176.094 0.166 0.000 1.043 447 V CA 0.144 62.494 62.300 0.084 0.000 0.906 447 V CB 0.628 32.495 31.823 0.074 0.000 0.995 447 V HN 1.058 nan 8.190 nan 0.000 0.467 448 T N 2.182 116.819 114.554 0.139 0.000 2.847 448 T HA 0.367 4.717 4.350 0.001 0.000 0.279 448 T C 0.960 175.821 174.700 0.269 0.000 0.984 448 T CA -0.544 61.648 62.100 0.153 0.000 0.988 448 T CB 1.159 70.079 68.868 0.087 0.000 1.040 448 T HN 0.410 nan 8.240 nan 0.000 0.528 449 M N 0.681 120.402 119.600 0.201 0.000 2.159 449 M HA -0.008 4.472 4.480 0.001 0.000 0.263 449 M C 1.721 178.155 176.300 0.224 0.000 1.063 449 M CA 1.816 57.242 55.300 0.210 0.000 1.110 449 M CB -1.221 31.426 32.600 0.077 0.000 1.374 449 M HN 0.896 nan 8.290 nan 0.000 0.411 450 D N -0.126 120.366 120.400 0.154 0.000 2.149 450 D HA -0.211 4.430 4.640 0.001 0.000 0.198 450 D C 1.383 177.784 176.300 0.169 0.000 0.990 450 D CA 1.700 55.782 54.000 0.137 0.000 0.839 450 D CB -0.099 40.754 40.800 0.088 0.000 0.948 450 D HN 0.461 nan 8.370 nan 0.000 0.460 451 D N -0.751 119.739 120.400 0.151 0.000 2.117 451 D HA -0.155 4.485 4.640 0.001 0.000 0.197 451 D C 1.951 178.312 176.300 0.102 0.000 0.987 451 D CA 0.699 54.756 54.000 0.094 0.000 0.829 451 D CB -0.446 40.346 40.800 -0.013 0.000 0.961 451 D HN 0.331 nan 8.370 nan 0.000 0.460 452 F N 1.297 121.310 119.950 0.105 0.000 2.126 452 F HA -0.086 4.441 4.527 0.000 0.000 0.299 452 F C 2.634 178.479 175.800 0.074 0.000 1.096 452 F CA 1.040 59.088 58.000 0.080 0.000 1.255 452 F CB -0.131 38.893 39.000 0.040 0.000 0.997 452 F HN -0.189 nan 8.300 nan 0.000 0.479 453 R N -1.507 119.149 120.500 0.260 0.000 2.148 453 R HA -0.215 4.125 4.340 0.001 0.000 0.227 453 R C 1.991 178.374 176.300 0.137 0.000 1.103 453 R CA 1.405 57.601 56.100 0.161 0.000 0.983 453 R CB -0.588 29.790 30.300 0.130 0.000 0.874 453 R HN 0.417 nan 8.270 nan 0.000 0.451 454 W N 0.817 122.132 121.300 0.025 0.000 2.407 454 W HA -0.073 4.588 4.660 0.002 0.000 0.305 454 W C 2.164 178.678 176.519 -0.010 0.000 1.196 454 W CA 1.564 58.910 57.345 0.001 0.000 1.311 454 W CB -0.293 29.157 29.460 -0.016 0.000 1.135 454 W HN 0.042 nan 8.180 nan 0.000 0.514 455 A N 0.244 123.125 122.820 0.101 0.000 1.902 455 A HA -0.194 4.126 4.320 0.001 0.000 0.217 455 A C 2.044 179.544 177.584 -0.139 0.000 1.181 455 A CA 1.841 53.842 52.037 -0.061 0.000 0.623 455 A CB -1.097 17.890 19.000 -0.021 0.000 0.818 455 A HN 0.383 nan 8.150 nan 0.000 0.443 456 L N 0.361 121.553 121.223 -0.052 0.000 2.046 456 L HA -0.206 4.135 4.340 0.001 0.000 0.208 456 L C 3.091 179.899 176.870 -0.103 0.000 1.077 456 L CA 1.683 56.495 54.840 -0.047 0.000 0.747 456 L CB -0.390 41.671 42.059 0.003 0.000 0.896 456 L HN 0.636 nan 8.230 nan 0.000 0.432 457 S N -1.016 114.579 115.700 -0.174 0.000 2.382 457 S HA -0.223 4.247 4.470 0.001 0.000 0.228 457 S C 1.839 176.275 174.600 -0.273 0.000 1.027 457 S CA 0.924 58.998 58.200 -0.210 0.000 0.991 457 S CB -0.283 62.767 63.200 -0.250 0.000 0.823 457 S HN 0.426 nan 8.310 nan 0.000 0.469 458 Q N 1.061 120.603 119.800 -0.430 0.000 2.425 458 Q HA 0.338 4.679 4.340 0.001 0.000 0.204 458 Q C 0.915 176.791 176.000 -0.207 0.000 0.933 458 Q CA 0.082 55.642 55.803 -0.405 0.000 0.939 458 Q CB -0.223 28.098 28.738 -0.695 0.000 1.044 458 Q HN 0.552 nan 8.270 nan 0.000 0.513 459 S N 0.924 116.551 115.700 -0.122 0.000 2.589 459 S HA 0.180 4.650 4.470 0.001 0.000 0.265 459 S C -0.029 174.573 174.600 0.004 0.000 1.342 459 S CA -0.184 58.019 58.200 0.005 0.000 1.005 459 S CB 0.433 63.733 63.200 0.167 0.000 0.909 459 S HN 0.247 nan 8.310 nan 0.000 0.555 460 N N 1.422 120.108 118.700 -0.025 0.000 2.264 460 N HA 0.421 5.161 4.740 0.001 0.000 0.288 460 N C -2.835 172.501 175.510 -0.289 0.000 1.094 460 N CA -1.234 51.750 53.050 -0.110 0.000 0.817 460 N CB 2.257 40.691 38.487 -0.088 0.000 1.604 460 N HN 0.419 nan 8.380 nan 0.000 0.473 461 P HA 0.096 nan 4.420 nan 0.000 0.279 461 P C 0.017 177.215 177.300 -0.170 0.000 1.282 461 P CA -0.232 62.687 63.100 -0.301 0.000 0.788 461 P CB 0.421 31.994 31.700 -0.212 0.000 1.139 462 S N -1.375 114.244 115.700 -0.135 0.000 2.930 462 S HA 0.381 4.851 4.470 0.001 0.000 0.257 462 S C 0.913 175.472 174.600 -0.067 0.000 1.208 462 S CA -0.134 58.016 58.200 -0.083 0.000 1.233 462 S CB -1.807 61.355 63.200 -0.064 0.000 0.900 462 S HN 0.760 nan 8.310 nan 0.000 0.472 463 A N 0.000 122.776 122.820 -0.074 0.000 2.254 463 A HA 0.000 4.320 4.320 0.001 0.000 0.244 463 A CA 0.000 52.005 52.037 -0.053 0.000 0.836 463 A CB 0.000 18.974 19.000 -0.043 0.000 0.831 463 A HN 0.000 nan 8.150 nan 0.000 0.486