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 2idj_1_D DATA FIRST_RESID 1 DATA SEQUENCE VDSVYRTRSL GVAAEGIPDQ YADGEAARVW QLYIGDTRSR TAEYKAWLLG DATA SEQUENCE LLRQHGCHRV LDVACGTGVD SIMLVEEGFS VTSVDASDKM LKYALKERWN DATA SEQUENCE RRKEPAFDKW VIEEANWLTL DKDVPAGDGF DAVICLGNSF AHLPDSKGDQ DATA SEQUENCE SEHRLALKNI ASMVRPGGLL VIDHRNYDYI LSTGCAPPGK NIYYKSDLTK DATA SEQUENCE DITTSVLTVN NKAHMVTLDY TVQVPGAXXX XXPGFSKFRL SYYPHCLASF DATA SEQUENCE TELVQEAFGG RCQHSVLGDF KPYRPGQAYV PCYFIHVLKK TG 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 1 V HA 0.000 nan 4.120 nan 0.000 0.244 1 V C 0.000 176.096 176.094 0.003 0.000 1.182 1 V CA 0.000 62.300 62.300 0.001 0.000 1.235 1 V CB 0.000 31.823 31.823 0.000 0.000 1.184 2 D N 3.273 123.676 120.400 0.006 0.000 2.424 2 D HA 0.655 5.293 4.640 -0.003 0.000 0.244 2 D C 0.429 176.740 176.300 0.018 0.000 1.134 2 D CA 1.416 55.422 54.000 0.010 0.000 0.881 2 D CB 1.459 42.264 40.800 0.009 0.000 1.191 2 D HN 1.204 nan 8.370 nan 0.000 0.445 3 S N -0.862 114.854 115.700 0.028 0.000 2.579 3 S HA 0.357 4.825 4.470 -0.003 0.000 0.290 3 S C -0.820 173.820 174.600 0.066 0.000 1.123 3 S CA -1.262 56.964 58.200 0.043 0.000 0.894 3 S CB 0.180 63.409 63.200 0.048 0.000 1.095 3 S HN 0.474 nan 8.310 nan 0.000 0.450 4 V N 1.255 121.210 119.914 0.067 0.000 2.455 4 V HA 0.610 4.728 4.120 -0.003 0.000 0.273 4 V C -0.310 175.864 176.094 0.133 0.000 1.045 4 V CA -0.391 61.961 62.300 0.087 0.000 0.976 4 V CB -0.200 31.656 31.823 0.056 0.000 0.993 4 V HN 0.888 nan 8.190 nan 0.000 0.475 5 Y N 5.418 125.720 120.300 0.003 0.000 2.320 5 Y HA 0.698 5.247 4.550 -0.003 0.000 0.324 5 Y C 0.423 176.323 175.900 0.000 0.000 1.190 5 Y CA -0.740 57.360 58.100 0.000 0.000 1.215 5 Y CB 1.169 39.628 38.460 -0.001 0.000 1.221 5 Y HN 0.674 nan 8.280 nan 0.000 0.486 6 R N 2.711 122.993 120.500 -0.363 0.000 2.686 6 R HA 0.259 4.597 4.340 -0.003 0.000 0.286 6 R C 0.413 176.510 176.300 -0.338 0.000 0.969 6 R CA -0.488 55.464 56.100 -0.247 0.000 0.898 6 R CB 1.961 32.155 30.300 -0.176 0.000 1.183 6 R HN 0.789 nan 8.270 nan 0.000 0.456 7 T N 1.879 116.335 114.554 -0.164 0.000 2.770 7 T HA -0.032 4.316 4.350 -0.003 0.000 0.263 7 T C 0.558 175.176 174.700 -0.136 0.000 1.039 7 T CA 1.240 63.264 62.100 -0.127 0.000 1.142 7 T CB 0.161 68.991 68.868 -0.063 0.000 0.868 7 T HN 0.495 nan 8.240 nan 0.000 0.435 8 R N 0.274 120.701 120.500 -0.121 0.000 2.698 8 R HA 0.636 4.975 4.340 -0.003 0.000 0.275 8 R C -1.013 175.231 176.300 -0.094 0.000 1.001 8 R CA -0.646 55.392 56.100 -0.103 0.000 0.896 8 R CB 1.255 31.503 30.300 -0.086 0.000 1.218 8 R HN -0.099 nan 8.270 nan 0.000 0.462 9 S N 1.979 117.630 115.700 -0.082 0.000 2.569 9 S HA 0.108 4.576 4.470 -0.003 0.000 0.274 9 S C 0.592 175.166 174.600 -0.043 0.000 1.353 9 S CA -0.461 57.702 58.200 -0.062 0.000 1.023 9 S CB 0.256 63.425 63.200 -0.052 0.000 0.876 9 S HN 0.350 nan 8.310 nan 0.000 0.540 10 L N 1.827 123.037 121.223 -0.022 0.000 2.416 10 L HA 0.381 4.719 4.340 -0.003 0.000 0.272 10 L C 1.497 178.365 176.870 -0.004 0.000 1.161 10 L CA 0.415 55.258 54.840 0.005 0.000 0.845 10 L CB -0.091 41.983 42.059 0.024 0.000 1.119 10 L HN 1.039 nan 8.230 nan 0.000 0.464 11 G N 2.472 111.274 108.800 0.002 0.000 2.159 11 G HA2 -0.218 3.740 3.960 -0.003 0.000 0.256 11 G HA3 -0.218 3.740 3.960 -0.003 0.000 0.256 11 G C -0.106 174.780 174.900 -0.023 0.000 0.977 11 G CA -0.086 45.009 45.100 -0.009 0.000 0.652 11 G HN 0.396 nan 8.290 nan 0.000 0.531 12 V N 0.603 120.498 119.914 -0.032 0.000 2.547 12 V HA 0.854 4.972 4.120 -0.003 0.000 0.299 12 V C 0.634 176.701 176.094 -0.045 0.000 1.040 12 V CA 0.020 62.296 62.300 -0.039 0.000 0.913 12 V CB 1.614 33.411 31.823 -0.043 0.000 0.992 12 V HN 1.098 nan 8.190 nan 0.000 0.449 13 A N 3.540 126.334 122.820 -0.043 0.000 2.346 13 A HA 1.038 5.357 4.320 -0.003 0.000 0.313 13 A C -0.409 177.148 177.584 -0.045 0.000 1.140 13 A CA -0.320 51.689 52.037 -0.046 0.000 0.826 13 A CB 1.849 20.823 19.000 -0.043 0.000 1.332 13 A HN 1.535 nan 8.150 nan 0.000 0.457 14 A N 0.953 123.746 122.820 -0.045 0.000 2.488 14 A HA 0.613 4.931 4.320 -0.003 0.000 0.295 14 A C -0.556 177.004 177.584 -0.040 0.000 1.045 14 A CA -0.676 51.336 52.037 -0.041 0.000 0.703 14 A CB 0.778 19.752 19.000 -0.042 0.000 1.271 14 A HN 0.934 nan 8.150 nan 0.000 0.400 15 E N 1.360 121.538 120.200 -0.037 0.000 2.442 15 E HA 0.349 4.698 4.350 -0.003 0.000 0.262 15 E C 0.948 177.528 176.600 -0.033 0.000 1.004 15 E CA 0.586 56.965 56.400 -0.036 0.000 0.928 15 E CB 0.423 30.103 29.700 -0.034 0.000 0.937 15 E HN 2.092 nan 8.360 nan 0.000 0.446 16 G N 2.260 111.040 108.800 -0.032 0.000 2.217 16 G HA2 -0.262 3.697 3.960 -0.003 0.000 0.246 16 G HA3 -0.262 3.697 3.960 -0.003 0.000 0.246 16 G C 0.319 175.202 174.900 -0.029 0.000 0.990 16 G CA 0.237 45.320 45.100 -0.029 0.000 0.627 16 G HN 0.794 nan 8.290 nan 0.000 0.522 17 I N -1.703 118.846 120.570 -0.034 0.000 2.647 17 I HA 0.726 4.894 4.170 -0.003 0.000 0.295 17 I C -2.484 173.608 176.117 -0.041 0.000 1.078 17 I CA -2.963 58.315 61.300 -0.037 0.000 1.048 17 I CB 1.750 39.725 38.000 -0.042 0.000 1.239 17 I HN -0.142 nan 8.210 nan 0.000 0.421 18 P HA 0.117 nan 4.420 nan 0.000 0.267 18 P C -0.882 176.387 177.300 -0.052 0.000 1.200 18 P CA 0.050 63.128 63.100 -0.037 0.000 0.772 18 P CB 0.405 32.088 31.700 -0.029 0.000 0.855 19 D N 2.051 122.425 120.400 -0.043 0.000 2.357 19 D HA -0.026 4.612 4.640 -0.003 0.000 0.242 19 D C 1.424 177.677 176.300 -0.078 0.000 1.153 19 D CA -0.149 53.821 54.000 -0.051 0.000 0.918 19 D CB 0.460 41.243 40.800 -0.029 0.000 1.181 19 D HN 0.367 nan 8.370 nan 0.000 0.435 20 Q N 0.839 120.572 119.800 -0.111 0.000 2.466 20 Q HA -0.285 4.054 4.340 -0.003 0.000 0.255 20 Q C 0.632 176.371 176.000 -0.436 0.000 1.063 20 Q CA 2.127 57.780 55.803 -0.250 0.000 0.982 20 Q CB -0.840 27.886 28.738 -0.019 0.000 0.951 20 Q HN 0.664 nan 8.270 nan 0.000 0.556 21 Y N -1.334 118.952 120.300 -0.023 0.000 2.634 21 Y HA 0.570 5.118 4.550 -0.003 0.000 0.292 21 Y C 1.014 176.911 175.900 -0.004 0.000 0.996 21 Y CA 0.203 58.294 58.100 -0.015 0.000 1.165 21 Y CB 0.071 38.517 38.460 -0.024 0.000 1.194 21 Y HN 0.303 nan 8.280 nan 0.000 0.585 22 A N -0.598 122.278 122.820 0.093 0.000 2.067 22 A HA -0.123 4.196 4.320 -0.003 0.000 0.219 22 A C 1.064 178.703 177.584 0.091 0.000 1.158 22 A CA 1.879 53.968 52.037 0.087 0.000 0.661 22 A CB -0.186 18.845 19.000 0.051 0.000 0.801 22 A HN 0.410 nan 8.150 nan 0.000 0.452 23 D N -0.948 119.497 120.400 0.075 0.000 2.395 23 D HA 0.302 4.941 4.640 -0.003 0.000 0.213 23 D C 1.028 177.377 176.300 0.082 0.000 1.110 23 D CA 0.486 54.528 54.000 0.069 0.000 0.835 23 D CB 0.307 41.131 40.800 0.041 0.000 0.965 23 D HN 0.395 nan 8.370 nan 0.000 0.505 24 G N 0.527 109.392 108.800 0.108 0.000 2.732 24 G HA2 -0.088 3.870 3.960 -0.003 0.000 0.244 24 G HA3 -0.088 3.870 3.960 -0.003 0.000 0.244 24 G C 0.881 175.841 174.900 0.100 0.000 1.226 24 G CA -0.335 44.831 45.100 0.111 0.000 0.860 24 G HN 0.146 nan 8.290 nan 0.000 0.583 25 E N 0.159 120.416 120.200 0.095 0.000 2.077 25 E HA -0.118 4.230 4.350 -0.003 0.000 0.193 25 E C 2.654 179.328 176.600 0.124 0.000 0.989 25 E CA 1.248 57.707 56.400 0.098 0.000 0.800 25 E CB -0.196 29.559 29.700 0.091 0.000 0.746 25 E HN 0.502 nan 8.360 nan 0.000 0.452 26 A N 1.227 124.123 122.820 0.127 0.000 1.877 26 A HA -0.104 4.215 4.320 -0.003 0.000 0.216 26 A C 2.416 180.102 177.584 0.170 0.000 1.186 26 A CA 1.844 53.981 52.037 0.166 0.000 0.620 26 A CB -0.845 18.230 19.000 0.126 0.000 0.822 26 A HN 0.420 nan 8.150 nan 0.000 0.443 27 A N -0.471 122.428 122.820 0.132 0.000 1.972 27 A HA -0.139 4.179 4.320 -0.003 0.000 0.219 27 A C 2.236 179.950 177.584 0.217 0.000 1.169 27 A CA 1.449 53.595 52.037 0.182 0.000 0.635 27 A CB -0.409 18.679 19.000 0.146 0.000 0.810 27 A HN 0.559 nan 8.150 nan 0.000 0.446 28 R N -0.787 119.800 120.500 0.144 0.000 2.090 28 R HA -0.022 4.317 4.340 -0.003 0.000 0.228 28 R C 1.990 178.336 176.300 0.076 0.000 1.110 28 R CA 1.276 57.435 56.100 0.099 0.000 0.973 28 R CB -0.381 29.966 30.300 0.079 0.000 0.869 28 R HN 0.412 nan 8.270 nan 0.000 0.440 29 V N -0.135 119.852 119.914 0.122 0.000 2.307 29 V HA -0.227 3.892 4.120 -0.003 0.000 0.245 29 V C 1.900 178.024 176.094 0.050 0.000 1.045 29 V CA 1.576 63.962 62.300 0.143 0.000 1.024 29 V CB -0.604 31.387 31.823 0.279 0.000 0.651 29 V HN 0.470 nan 8.190 nan 0.000 0.449 30 W N 1.106 122.227 121.300 -0.298 0.000 2.321 30 W HA -0.239 4.420 4.660 -0.002 0.000 0.306 30 W C 2.440 178.746 176.519 -0.354 0.000 1.217 30 W CA 2.068 58.936 57.345 -0.795 0.000 1.257 30 W CB -0.305 28.635 29.460 -0.867 0.000 1.145 30 W HN 0.263 nan 8.180 nan 0.000 0.509 31 Q N -0.021 119.553 119.800 -0.376 0.000 2.084 31 Q HA -0.212 4.126 4.340 -0.003 0.000 0.202 31 Q C 2.357 178.095 176.000 -0.435 0.000 0.978 31 Q CA 1.966 57.457 55.803 -0.520 0.000 0.844 31 Q CB -0.650 27.986 28.738 -0.169 0.000 0.898 31 Q HN 0.389 nan 8.270 nan 0.000 0.426 32 L N -0.488 120.592 121.223 -0.238 0.000 2.131 32 L HA -0.217 4.122 4.340 -0.003 0.000 0.210 32 L C 2.343 179.084 176.870 -0.215 0.000 1.092 32 L CA 1.107 55.842 54.840 -0.175 0.000 0.759 32 L CB -0.452 41.569 42.059 -0.063 0.000 0.903 32 L HN 0.291 nan 8.230 nan 0.000 0.435 33 Y N 1.516 121.604 120.300 -0.354 0.000 2.114 33 Y HA -0.268 4.281 4.550 -0.002 0.000 0.284 33 Y C 2.486 178.112 175.900 -0.458 0.000 1.143 33 Y CA 2.058 59.961 58.100 -0.329 0.000 1.135 33 Y CB -0.260 38.009 38.460 -0.318 0.000 0.980 33 Y HN 0.174 nan 8.280 nan 0.000 0.499 34 I N -1.741 118.393 120.570 -0.726 0.000 2.454 34 I HA -0.039 4.129 4.170 -0.003 0.000 0.254 34 I C 2.281 178.016 176.117 -0.636 0.000 1.156 34 I CA 1.617 62.463 61.300 -0.756 0.000 1.433 34 I CB -1.173 36.318 38.000 -0.848 0.000 1.082 34 I HN 0.256 nan 8.210 nan 0.000 0.432 35 G N 1.118 109.589 108.800 -0.550 0.000 2.421 35 G HA2 -0.280 3.678 3.960 -0.003 0.000 0.217 35 G HA3 -0.280 3.678 3.960 -0.003 0.000 0.217 35 G C 1.119 175.815 174.900 -0.341 0.000 1.143 35 G CA 0.991 45.848 45.100 -0.406 0.000 0.784 35 G HN 0.520 nan 8.290 nan 0.000 0.541 36 D N -0.771 119.399 120.400 -0.383 0.000 2.325 36 D HA 0.126 4.765 4.640 -0.003 0.000 0.225 36 D C 1.602 177.636 176.300 -0.445 0.000 1.096 36 D CA 0.449 54.255 54.000 -0.323 0.000 0.844 36 D CB 0.120 40.773 40.800 -0.245 0.000 0.925 36 D HN 0.141 nan 8.370 nan 0.000 0.513 37 T N -1.742 112.463 114.554 -0.582 0.000 3.043 37 T HA 0.178 4.527 4.350 -0.003 0.000 0.272 37 T C 1.779 176.235 174.700 -0.406 0.000 0.990 37 T CA 0.132 61.793 62.100 -0.732 0.000 0.897 37 T CB 0.486 68.702 68.868 -1.087 0.000 1.111 37 T HN 0.148 nan 8.240 nan 0.000 0.529 38 R N 1.375 121.699 120.500 -0.294 0.000 2.366 38 R HA 0.355 4.693 4.340 -0.003 0.000 0.201 38 R C 0.664 176.915 176.300 -0.081 0.000 1.057 38 R CA 0.354 56.355 56.100 -0.165 0.000 1.086 38 R CB -0.942 29.266 30.300 -0.154 0.000 0.914 38 R HN 0.287 nan 8.270 nan 0.000 0.476 39 S N 0.301 115.958 115.700 -0.072 0.000 2.538 39 S HA 0.696 5.165 4.470 -0.003 0.000 0.288 39 S C -0.980 173.656 174.600 0.060 0.000 1.108 39 S CA -0.924 57.276 58.200 0.001 0.000 0.971 39 S CB 1.792 64.990 63.200 -0.002 0.000 1.041 39 S HN 0.441 nan 8.310 nan 0.000 0.483 40 R N 1.580 122.129 120.500 0.082 0.000 2.643 40 R HA 0.578 4.917 4.340 -0.003 0.000 0.272 40 R C 0.364 176.733 176.300 0.116 0.000 0.995 40 R CA -0.725 55.437 56.100 0.103 0.000 1.032 40 R CB 0.709 31.114 30.300 0.176 0.000 1.126 40 R HN 0.806 nan 8.270 nan 0.000 0.505 41 T N -2.102 112.526 114.554 0.123 0.000 2.899 41 T HA 0.288 4.637 4.350 -0.003 0.000 0.295 41 T C 1.463 176.227 174.700 0.107 0.000 1.033 41 T CA -0.130 62.036 62.100 0.109 0.000 1.084 41 T CB 1.314 70.250 68.868 0.113 0.000 0.979 41 T HN 0.519 nan 8.240 nan 0.000 0.532 42 A N 0.986 123.845 122.820 0.066 0.000 1.917 42 A HA -0.144 4.174 4.320 -0.003 0.000 0.219 42 A C 2.264 179.853 177.584 0.009 0.000 1.182 42 A CA 2.000 54.059 52.037 0.036 0.000 0.633 42 A CB -1.123 17.890 19.000 0.023 0.000 0.819 42 A HN 1.050 nan 8.150 nan 0.000 0.448 43 E N -1.770 118.440 120.200 0.017 0.000 2.153 43 E HA -0.248 4.100 4.350 -0.003 0.000 0.194 43 E C 1.787 178.258 176.600 -0.215 0.000 0.988 43 E CA 1.492 57.870 56.400 -0.037 0.000 0.811 43 E CB -0.292 29.439 29.700 0.051 0.000 0.746 43 E HN 0.763 nan 8.360 nan 0.000 0.466 44 Y N 1.339 121.461 120.300 -0.296 0.000 2.163 44 Y HA -0.119 4.430 4.550 -0.003 0.000 0.288 44 Y C 1.928 177.679 175.900 -0.249 0.000 1.136 44 Y CA 1.839 59.643 58.100 -0.495 0.000 1.147 44 Y CB -0.009 38.311 38.460 -0.234 0.000 0.987 44 Y HN -0.119 nan 8.280 nan 0.000 0.509 45 K N 0.168 120.487 120.400 -0.136 0.000 2.032 45 K HA -0.168 4.150 4.320 -0.003 0.000 0.209 45 K C 2.371 178.827 176.600 -0.239 0.000 1.048 45 K CA 1.373 57.550 56.287 -0.184 0.000 0.927 45 K CB -0.500 31.985 32.500 -0.025 0.000 0.712 45 K HN 0.396 nan 8.250 nan 0.000 0.441 46 A N 0.873 123.592 122.820 -0.169 0.000 1.933 46 A HA -0.197 4.121 4.320 -0.003 0.000 0.218 46 A C 1.957 179.417 177.584 -0.206 0.000 1.175 46 A CA 1.432 53.380 52.037 -0.147 0.000 0.628 46 A CB -0.872 18.077 19.000 -0.086 0.000 0.814 46 A HN 0.636 nan 8.150 nan 0.000 0.444 47 W N 0.307 121.344 121.300 -0.438 0.000 2.379 47 W HA -0.115 4.543 4.660 -0.003 0.000 0.307 47 W C 1.638 177.903 176.519 -0.423 0.000 1.200 47 W CA 1.652 58.715 57.345 -0.469 0.000 1.297 47 W CB -0.420 28.561 29.460 -0.798 0.000 1.140 47 W HN 0.272 nan 8.180 nan 0.000 0.507 48 L N 0.792 121.473 121.223 -0.903 0.000 2.056 48 L HA -0.091 4.248 4.340 -0.003 0.000 0.207 48 L C 2.328 178.770 176.870 -0.713 0.000 1.078 48 L CA 1.952 56.128 54.840 -1.106 0.000 0.749 48 L CB -1.196 40.361 42.059 -0.838 0.000 0.901 48 L HN 0.127 nan 8.230 nan 0.000 0.433 49 L N -0.890 120.058 121.223 -0.458 0.000 2.056 49 L HA -0.092 4.246 4.340 -0.003 0.000 0.207 49 L C 2.512 179.251 176.870 -0.218 0.000 1.078 49 L CA 1.172 55.862 54.840 -0.250 0.000 0.749 49 L CB -1.351 40.637 42.059 -0.118 0.000 0.901 49 L HN 0.447 nan 8.230 nan 0.000 0.433 50 G N 0.292 108.923 108.800 -0.281 0.000 2.446 50 G HA2 -0.306 3.653 3.960 -0.003 0.000 0.217 50 G HA3 -0.306 3.653 3.960 -0.003 0.000 0.217 50 G C 1.580 176.341 174.900 -0.232 0.000 1.168 50 G CA 0.898 45.868 45.100 -0.217 0.000 0.771 50 G HN 0.222 nan 8.290 nan 0.000 0.551 51 L N 0.431 121.392 121.223 -0.437 0.000 2.046 51 L HA 0.086 4.424 4.340 -0.003 0.000 0.208 51 L C 2.760 179.553 176.870 -0.128 0.000 1.077 51 L CA 1.356 55.998 54.840 -0.330 0.000 0.747 51 L CB -0.358 41.298 42.059 -0.671 0.000 0.896 51 L HN 0.223 nan 8.230 nan 0.000 0.432 52 L N -1.234 119.861 121.223 -0.213 0.000 2.046 52 L HA -0.197 4.142 4.340 -0.003 0.000 0.208 52 L C 2.742 179.673 176.870 0.101 0.000 1.077 52 L CA 0.976 55.775 54.840 -0.068 0.000 0.747 52 L CB -0.551 41.399 42.059 -0.181 0.000 0.896 52 L HN 0.173 nan 8.230 nan 0.000 0.432 53 R N 0.131 120.680 120.500 0.082 0.000 2.081 53 R HA -0.176 4.162 4.340 -0.003 0.000 0.235 53 R C 2.211 178.531 176.300 0.034 0.000 1.131 53 R CA 1.161 57.306 56.100 0.075 0.000 0.960 53 R CB -0.647 29.671 30.300 0.029 0.000 0.856 53 R HN 0.362 nan 8.270 nan 0.000 0.436 54 Q N -0.454 119.352 119.800 0.010 0.000 2.368 54 Q HA -0.188 4.150 4.340 -0.003 0.000 0.210 54 Q C 0.296 176.206 176.000 -0.150 0.000 0.982 54 Q CA 1.619 57.386 55.803 -0.060 0.000 0.884 54 Q CB 0.036 28.733 28.738 -0.069 0.000 0.933 54 Q HN 0.525 nan 8.270 nan 0.000 0.460 55 H N -2.067 116.990 119.070 -0.021 0.000 2.784 55 H HA 0.303 4.857 4.556 -0.003 0.000 0.273 55 H C 0.324 175.664 175.328 0.019 0.000 1.112 55 H CA 0.385 56.431 56.048 -0.004 0.000 1.162 55 H CB 1.202 30.960 29.762 -0.007 0.000 1.586 55 H HN 0.325 nan 8.280 nan 0.000 0.548 56 G N 1.246 110.113 108.800 0.111 0.000 2.371 56 G HA2 -0.310 3.648 3.960 -0.003 0.000 0.299 56 G HA3 -0.310 3.648 3.960 -0.003 0.000 0.299 56 G C -0.060 174.925 174.900 0.140 0.000 1.014 56 G CA 0.324 45.479 45.100 0.091 0.000 1.097 56 G HN 0.444 nan 8.290 nan 0.000 0.512 57 C N -0.532 118.887 119.300 0.199 0.000 2.452 57 C HA 0.661 5.120 4.460 -0.003 0.000 0.379 57 C C 1.351 176.555 174.990 0.357 0.000 1.275 57 C CA 0.066 59.225 59.018 0.235 0.000 2.056 57 C CB 1.266 29.114 27.740 0.179 0.000 2.506 57 C HN 0.725 nan 8.230 nan 0.000 0.560 58 H N 0.770 119.955 119.070 0.193 0.000 2.258 58 H HA 0.285 4.839 4.556 -0.003 0.000 0.250 58 H C 0.535 176.003 175.328 0.233 0.000 0.908 58 H CA 0.429 56.586 56.048 0.183 0.000 1.096 58 H CB 0.348 30.146 29.762 0.059 0.000 1.422 58 H HN 0.551 nan 8.280 nan 0.000 0.469 59 R N 1.425 121.960 120.500 0.057 0.000 2.202 59 R HA 0.439 4.777 4.340 -0.003 0.000 0.334 59 R C -1.092 175.358 176.300 0.250 0.000 1.036 59 R CA -0.486 55.651 56.100 0.061 0.000 0.878 59 R CB 1.781 32.112 30.300 0.051 0.000 1.067 59 R HN 0.015 nan 8.270 nan 0.000 0.457 60 V N 4.898 124.940 119.914 0.213 0.000 2.555 60 V HA 0.320 4.439 4.120 -0.003 0.000 0.302 60 V C -0.663 175.453 176.094 0.037 0.000 1.038 60 V CA -0.973 61.400 62.300 0.122 0.000 0.887 60 V CB 1.894 33.688 31.823 -0.049 0.000 0.991 60 V HN 0.482 nan 8.190 nan 0.000 0.434 61 L N 3.957 125.066 121.223 -0.191 0.000 2.298 61 L HA 0.626 4.965 4.340 -0.003 0.000 0.284 61 L C -0.556 176.215 176.870 -0.165 0.000 1.013 61 L CA 0.043 54.609 54.840 -0.457 0.000 0.824 61 L CB 1.347 42.734 42.059 -1.120 0.000 1.221 61 L HN 0.674 nan 8.230 nan 0.000 0.418 62 D N 3.763 124.137 120.400 -0.043 0.000 2.443 62 D HA 0.136 4.775 4.640 -0.003 0.000 0.221 62 D C 1.019 177.389 176.300 0.117 0.000 1.097 62 D CA -0.207 53.833 54.000 0.066 0.000 0.865 62 D CB 1.368 42.240 40.800 0.119 0.000 1.034 62 D HN 0.444 nan 8.370 nan 0.000 0.511 63 V N 2.005 122.021 119.914 0.171 0.000 3.380 63 V HA 0.299 4.417 4.120 -0.003 0.000 0.268 63 V C 1.018 177.373 176.094 0.436 0.000 1.168 63 V CA 0.898 63.383 62.300 0.309 0.000 1.156 63 V CB -0.507 31.571 31.823 0.425 0.000 0.785 63 V HN 0.512 nan 8.190 nan 0.000 0.487 64 A N -1.138 121.908 122.820 0.378 0.000 3.105 64 A HA 0.393 4.711 4.320 -0.003 0.000 0.297 64 A C 1.303 179.048 177.584 0.269 0.000 0.977 64 A CA 0.364 52.623 52.037 0.370 0.000 1.020 64 A CB -0.314 18.988 19.000 0.503 0.000 1.098 64 A HN 0.463 nan 8.150 nan 0.000 0.497 65 C N -0.023 119.407 119.300 0.216 0.000 2.385 65 C HA 0.127 4.586 4.460 -0.003 0.000 0.275 65 C C 2.287 177.410 174.990 0.221 0.000 1.199 65 C CA 2.246 61.395 59.018 0.218 0.000 1.782 65 C CB -1.294 26.563 27.740 0.195 0.000 2.068 65 C HN 1.902 nan 8.230 nan 0.000 0.471 66 G N -0.418 108.501 108.800 0.198 0.000 2.596 66 G HA2 -0.407 3.551 3.960 -0.003 0.000 0.295 66 G HA3 -0.407 3.551 3.960 -0.003 0.000 0.295 66 G C 0.935 175.960 174.900 0.207 0.000 1.240 66 G CA 1.740 46.963 45.100 0.205 0.000 0.985 66 G HN 1.352 nan 8.290 nan 0.000 0.555 67 T N -1.192 113.475 114.554 0.187 0.000 3.160 67 T HA 0.403 4.751 4.350 -0.003 0.000 0.257 67 T C 2.401 177.248 174.700 0.245 0.000 1.147 67 T CA 1.613 63.834 62.100 0.201 0.000 1.064 67 T CB -0.058 68.846 68.868 0.060 0.000 0.949 67 T HN 2.777 nan 8.240 nan 0.000 0.526 68 G N 0.292 109.249 108.800 0.262 0.000 2.157 68 G HA2 -0.310 3.648 3.960 -0.003 0.000 0.239 68 G HA3 -0.310 3.648 3.960 -0.003 0.000 0.239 68 G C 0.856 175.906 174.900 0.250 0.000 0.982 68 G CA 0.117 45.430 45.100 0.355 0.000 0.650 68 G HN 0.501 nan 8.290 nan 0.000 0.527 69 V N 0.985 121.000 119.914 0.169 0.000 2.231 69 V HA -0.249 3.870 4.120 -0.003 0.000 0.250 69 V C 2.620 178.777 176.094 0.105 0.000 1.058 69 V CA 2.777 65.147 62.300 0.116 0.000 1.022 69 V CB -0.432 31.440 31.823 0.081 0.000 0.640 69 V HN 0.471 nan 8.190 nan 0.000 0.445 70 D N -0.146 120.336 120.400 0.138 0.000 2.117 70 D HA -0.118 4.520 4.640 -0.003 0.000 0.197 70 D C 2.442 178.748 176.300 0.009 0.000 0.987 70 D CA 1.671 55.747 54.000 0.126 0.000 0.829 70 D CB -0.250 40.671 40.800 0.203 0.000 0.961 70 D HN 0.405 nan 8.370 nan 0.000 0.460 71 S N 0.651 116.365 115.700 0.023 0.000 2.359 71 S HA -0.125 4.343 4.470 -0.003 0.000 0.224 71 S C 2.234 176.583 174.600 -0.418 0.000 1.035 71 S CA 0.602 58.729 58.200 -0.120 0.000 1.018 71 S CB -0.233 63.052 63.200 0.143 0.000 0.876 71 S HN 0.263 nan 8.310 nan 0.000 0.448 72 I N 1.387 121.753 120.570 -0.341 0.000 2.208 72 I HA -0.271 3.897 4.170 -0.003 0.000 0.245 72 I C 2.553 178.547 176.117 -0.205 0.000 1.097 72 I CA 1.347 62.443 61.300 -0.340 0.000 1.363 72 I CB -0.384 37.620 38.000 0.007 0.000 1.051 72 I HN 0.361 nan 8.210 nan 0.000 0.413 73 M N 0.950 120.489 119.600 -0.103 0.000 2.065 73 M HA -0.245 4.233 4.480 -0.003 0.000 0.259 73 M C 2.381 178.624 176.300 -0.095 0.000 1.069 73 M CA 2.045 57.311 55.300 -0.057 0.000 1.110 73 M CB -0.135 32.452 32.600 -0.022 0.000 1.328 73 M HN 0.199 nan 8.290 nan 0.000 0.405 74 L N -0.376 120.744 121.223 -0.172 0.000 2.079 74 L HA -0.209 4.129 4.340 -0.003 0.000 0.210 74 L C 2.422 179.251 176.870 -0.067 0.000 1.081 74 L CA 1.017 55.764 54.840 -0.154 0.000 0.752 74 L CB -0.989 40.865 42.059 -0.340 0.000 0.896 74 L HN 0.237 nan 8.230 nan 0.000 0.433 75 V N 0.102 119.800 119.914 -0.360 0.000 2.295 75 V HA -0.283 3.836 4.120 -0.003 0.000 0.246 75 V C 2.393 178.285 176.094 -0.336 0.000 1.049 75 V CA 1.880 63.869 62.300 -0.519 0.000 1.024 75 V CB -0.486 30.644 31.823 -1.155 0.000 0.648 75 V HN 0.469 nan 8.190 nan 0.000 0.447 76 E N -0.304 119.754 120.200 -0.237 0.000 2.110 76 E HA -0.197 4.151 4.350 -0.003 0.000 0.193 76 E C 1.899 178.492 176.600 -0.011 0.000 0.988 76 E CA 1.005 57.372 56.400 -0.054 0.000 0.804 76 E CB -0.093 29.631 29.700 0.039 0.000 0.745 76 E HN 0.536 nan 8.360 nan 0.000 0.458 77 E N -0.482 119.743 120.200 0.042 0.000 2.494 77 E HA 0.009 4.358 4.350 -0.003 0.000 0.193 77 E C 1.009 177.556 176.600 -0.089 0.000 1.074 77 E CA 0.565 57.002 56.400 0.062 0.000 0.867 77 E CB 0.607 30.464 29.700 0.261 0.000 0.924 77 E HN 0.413 nan 8.360 nan 0.000 0.502 78 G N 0.878 109.633 108.800 -0.075 0.000 2.157 78 G HA2 -0.277 3.682 3.960 -0.003 0.000 0.248 78 G HA3 -0.277 3.682 3.960 -0.003 0.000 0.248 78 G C 0.105 174.907 174.900 -0.164 0.000 0.979 78 G CA -0.072 44.941 45.100 -0.146 0.000 0.650 78 G HN 0.192 nan 8.290 nan 0.000 0.529 79 F N 1.084 120.991 119.950 -0.071 0.000 2.403 79 F HA 0.628 5.154 4.527 -0.003 0.000 0.320 79 F C 1.228 176.904 175.800 -0.206 0.000 1.176 79 F CA 0.064 57.998 58.000 -0.110 0.000 1.206 79 F CB 1.269 40.195 39.000 -0.124 0.000 1.235 79 F HN 0.029 nan 8.300 nan 0.000 0.565 80 S N 1.481 117.050 115.700 -0.218 0.000 2.404 80 S HA 0.559 5.027 4.470 -0.003 0.000 0.309 80 S C -0.932 173.664 174.600 -0.007 0.000 1.076 80 S CA -0.577 57.517 58.200 -0.176 0.000 1.095 80 S CB -0.256 62.721 63.200 -0.372 0.000 0.972 80 S HN 0.374 nan 8.310 nan 0.000 0.484 81 V N 5.118 125.064 119.914 0.053 0.000 2.513 81 V HA 0.645 4.764 4.120 -0.003 0.000 0.299 81 V C 0.290 176.559 176.094 0.291 0.000 1.035 81 V CA -0.804 61.565 62.300 0.114 0.000 0.889 81 V CB 1.841 33.632 31.823 -0.054 0.000 0.988 81 V HN 0.921 nan 8.190 nan 0.000 0.440 82 T N 0.367 115.075 114.554 0.256 0.000 2.840 82 T HA 0.640 4.988 4.350 -0.003 0.000 0.287 82 T C -0.448 174.363 174.700 0.184 0.000 0.991 82 T CA -0.541 61.707 62.100 0.247 0.000 0.964 82 T CB 1.380 70.398 68.868 0.251 0.000 0.954 82 T HN 0.469 nan 8.240 nan 0.000 0.438 83 S N 2.153 117.998 115.700 0.242 0.000 2.472 83 S HA 0.801 5.270 4.470 -0.003 0.000 0.303 83 S C -0.749 173.909 174.600 0.097 0.000 1.099 83 S CA -0.737 57.596 58.200 0.222 0.000 1.077 83 S CB 1.707 65.166 63.200 0.431 0.000 1.031 83 S HN 0.832 nan 8.310 nan 0.000 0.487 84 V N 2.718 122.685 119.914 0.090 0.000 2.971 84 V HA 0.681 4.799 4.120 -0.003 0.000 0.309 84 V C -1.546 174.579 176.094 0.051 0.000 1.130 84 V CA -0.496 61.834 62.300 0.050 0.000 0.964 84 V CB 2.304 34.152 31.823 0.042 0.000 1.029 84 V HN 0.945 nan 8.190 nan 0.000 0.427 85 D N 2.249 122.648 120.400 -0.001 0.000 2.622 85 D HA 0.566 5.205 4.640 -0.003 0.000 0.255 85 D C 0.127 176.363 176.300 -0.105 0.000 1.246 85 D CA 0.216 54.186 54.000 -0.050 0.000 0.795 85 D CB 2.733 43.539 40.800 0.010 0.000 1.369 85 D HN 0.603 nan 8.370 nan 0.000 0.425 86 A N 0.827 123.535 122.820 -0.188 0.000 2.147 86 A HA 0.138 4.456 4.320 -0.003 0.000 0.211 86 A C 0.874 178.391 177.584 -0.113 0.000 1.160 86 A CA 0.349 52.283 52.037 -0.172 0.000 0.781 86 A CB 0.169 19.010 19.000 -0.265 0.000 0.842 86 A HN 0.212 nan 8.150 nan 0.000 0.475 87 S N 0.534 116.184 115.700 -0.084 0.000 2.411 87 S HA 0.232 4.700 4.470 -0.003 0.000 0.294 87 S C 0.157 174.750 174.600 -0.011 0.000 1.115 87 S CA -0.635 57.539 58.200 -0.043 0.000 1.071 87 S CB 0.221 63.414 63.200 -0.013 0.000 0.967 87 S HN 0.346 nan 8.310 nan 0.000 0.488 88 D N 4.352 124.737 120.400 -0.025 0.000 2.178 88 D HA -0.069 4.569 4.640 -0.003 0.000 0.202 88 D C 1.595 177.890 176.300 -0.008 0.000 0.974 88 D CA 1.088 55.072 54.000 -0.026 0.000 0.841 88 D CB 0.155 40.931 40.800 -0.040 0.000 0.953 88 D HN 0.606 nan 8.370 nan 0.000 0.478 89 K N -0.110 120.304 120.400 0.023 0.000 2.097 89 K HA -0.037 4.282 4.320 -0.003 0.000 0.206 89 K C 2.162 178.863 176.600 0.169 0.000 1.049 89 K CA 0.928 57.263 56.287 0.080 0.000 0.933 89 K CB 0.046 32.622 32.500 0.127 0.000 0.717 89 K HN 0.124 nan 8.250 nan 0.000 0.442 90 M N -0.287 119.441 119.600 0.214 0.000 2.334 90 M HA -0.075 4.403 4.480 -0.003 0.000 0.266 90 M C 1.840 178.269 176.300 0.215 0.000 1.082 90 M CA 0.593 56.078 55.300 0.308 0.000 1.141 90 M CB 0.024 32.791 32.600 0.278 0.000 1.380 90 M HN 0.063 nan 8.290 nan 0.000 0.440 91 L N 1.111 122.392 121.223 0.097 0.000 2.191 91 L HA -0.159 4.180 4.340 -0.003 0.000 0.212 91 L C 2.346 179.212 176.870 -0.008 0.000 1.103 91 L CA 1.732 56.598 54.840 0.043 0.000 0.769 91 L CB -0.712 41.344 42.059 -0.005 0.000 0.908 91 L HN 0.222 nan 8.230 nan 0.000 0.438 92 K N -1.501 118.855 120.400 -0.073 0.000 2.103 92 K HA -0.253 4.065 4.320 -0.003 0.000 0.207 92 K C 2.060 178.523 176.600 -0.228 0.000 1.048 92 K CA 1.916 58.081 56.287 -0.204 0.000 0.930 92 K CB -0.279 32.014 32.500 -0.345 0.000 0.716 92 K HN 0.309 nan 8.250 nan 0.000 0.444 93 Y N 0.157 120.472 120.300 0.025 0.000 2.263 93 Y HA -0.044 4.504 4.550 -0.003 0.000 0.292 93 Y C 2.394 178.339 175.900 0.076 0.000 1.130 93 Y CA 1.014 59.136 58.100 0.036 0.000 1.179 93 Y CB -0.417 38.055 38.460 0.020 0.000 0.998 93 Y HN 0.184 nan 8.280 nan 0.000 0.532 94 A N 0.057 123.004 122.820 0.212 0.000 1.898 94 A HA -0.105 4.214 4.320 -0.003 0.000 0.216 94 A C 2.172 179.777 177.584 0.035 0.000 1.181 94 A CA 1.352 53.507 52.037 0.197 0.000 0.620 94 A CB -1.035 18.053 19.000 0.147 0.000 0.819 94 A HN 0.446 nan 8.150 nan 0.000 0.442 95 L N -0.771 120.427 121.223 -0.042 0.000 2.046 95 L HA -0.181 4.157 4.340 -0.003 0.000 0.208 95 L C 2.552 179.455 176.870 0.056 0.000 1.077 95 L CA 1.799 56.600 54.840 -0.064 0.000 0.747 95 L CB -0.385 41.621 42.059 -0.088 0.000 0.896 95 L HN 0.356 nan 8.230 nan 0.000 0.432 96 K N 0.630 121.066 120.400 0.061 0.000 2.032 96 K HA -0.255 4.064 4.320 -0.003 0.000 0.209 96 K C 2.036 178.752 176.600 0.193 0.000 1.048 96 K CA 1.624 57.978 56.287 0.112 0.000 0.927 96 K CB -0.100 32.439 32.500 0.066 0.000 0.712 96 K HN 0.091 nan 8.250 nan 0.000 0.441 97 E N 0.522 120.844 120.200 0.203 0.000 2.058 97 E HA -0.199 4.149 4.350 -0.003 0.000 0.194 97 E C 2.067 178.810 176.600 0.239 0.000 0.997 97 E CA 1.631 58.163 56.400 0.220 0.000 0.801 97 E CB -0.190 29.699 29.700 0.315 0.000 0.746 97 E HN 0.324 nan 8.360 nan 0.000 0.450 98 R N -0.500 120.213 120.500 0.356 0.000 2.105 98 R HA -0.164 4.174 4.340 -0.003 0.000 0.239 98 R C 2.362 178.813 176.300 0.252 0.000 1.135 98 R CA 1.642 57.996 56.100 0.422 0.000 0.967 98 R CB -0.675 29.776 30.300 0.252 0.000 0.861 98 R HN 0.484 nan 8.270 nan 0.000 0.442 99 W N 1.575 122.912 121.300 0.062 0.000 2.381 99 W HA -0.156 4.502 4.660 -0.003 0.000 0.301 99 W C 0.959 177.484 176.519 0.010 0.000 1.205 99 W CA 1.182 58.545 57.345 0.029 0.000 1.285 99 W CB -0.281 29.182 29.460 0.004 0.000 1.133 99 W HN 0.185 nan 8.180 nan 0.000 0.521 100 N N 0.662 119.371 118.700 0.016 0.000 2.309 100 N HA -0.122 4.617 4.740 -0.003 0.000 0.182 100 N C 1.315 176.701 175.510 -0.206 0.000 1.018 100 N CA 1.220 54.212 53.050 -0.098 0.000 0.876 100 N CB -0.430 38.054 38.487 -0.005 0.000 0.972 100 N HN 0.317 nan 8.380 nan 0.000 0.434 101 R N 0.659 121.016 120.500 -0.239 0.000 2.507 101 R HA 0.197 4.536 4.340 -0.003 0.000 0.298 101 R C 1.632 177.818 176.300 -0.191 0.000 0.999 101 R CA -0.215 55.676 56.100 -0.350 0.000 1.082 101 R CB 0.360 30.138 30.300 -0.871 0.000 1.246 101 R HN 0.201 nan 8.270 nan 0.000 0.553 102 R N 1.495 121.883 120.500 -0.187 0.000 2.170 102 R HA -0.131 4.207 4.340 -0.003 0.000 0.242 102 R C 0.874 177.119 176.300 -0.092 0.000 1.145 102 R CA 1.303 57.321 56.100 -0.136 0.000 0.984 102 R CB 0.088 30.142 30.300 -0.410 0.000 0.869 102 R HN -0.079 nan 8.270 nan 0.000 0.455 103 K N 1.163 121.488 120.400 -0.124 0.000 2.217 103 K HA 0.007 4.325 4.320 -0.003 0.000 0.202 103 K C 0.128 176.725 176.600 -0.004 0.000 1.051 103 K CA 0.735 56.978 56.287 -0.074 0.000 0.952 103 K CB -0.015 32.430 32.500 -0.092 0.000 0.736 103 K HN 0.468 nan 8.250 nan 0.000 0.453 104 E N 1.703 121.924 120.200 0.034 0.000 2.299 104 E HA 0.012 4.360 4.350 -0.003 0.000 0.272 104 E C -1.884 174.812 176.600 0.160 0.000 1.043 104 E CA -1.600 54.868 56.400 0.113 0.000 0.895 104 E CB 0.743 30.562 29.700 0.198 0.000 1.011 104 E HN -0.101 nan 8.360 nan 0.000 0.432 105 P HA -0.293 nan 4.420 nan 0.000 0.217 105 P C 1.018 178.381 177.300 0.105 0.000 1.151 105 P CA 1.614 64.767 63.100 0.089 0.000 0.849 105 P CB 0.229 31.963 31.700 0.057 0.000 0.787 106 A N -1.774 121.108 122.820 0.104 0.000 1.898 106 A HA -0.163 4.155 4.320 -0.003 0.000 0.216 106 A C 1.936 179.509 177.584 -0.018 0.000 1.181 106 A CA 1.397 53.439 52.037 0.009 0.000 0.620 106 A CB -1.704 17.248 19.000 -0.080 0.000 0.819 106 A HN 0.117 nan 8.150 nan 0.000 0.442 107 F N -0.229 119.785 119.950 0.108 0.000 2.325 107 F HA -0.064 4.461 4.527 -0.003 0.000 0.299 107 F C 1.965 177.899 175.800 0.223 0.000 1.090 107 F CA 1.413 59.540 58.000 0.212 0.000 1.392 107 F CB -0.237 38.875 39.000 0.187 0.000 1.053 107 F HN 0.339 nan 8.300 nan 0.000 0.521 108 D N 0.072 120.641 120.400 0.282 0.000 2.310 108 D HA -0.119 4.520 4.640 -0.003 0.000 0.212 108 D C 1.596 177.999 176.300 0.172 0.000 0.965 108 D CA 1.010 55.123 54.000 0.189 0.000 0.879 108 D CB -0.021 40.848 40.800 0.115 0.000 0.921 108 D HN 0.128 nan 8.370 nan 0.000 0.510 109 K N -0.841 119.663 120.400 0.173 0.000 2.358 109 K HA 0.054 4.373 4.320 -0.003 0.000 0.197 109 K C -0.321 176.410 176.600 0.218 0.000 1.025 109 K CA -0.521 55.856 56.287 0.151 0.000 1.104 109 K CB 0.379 32.940 32.500 0.102 0.000 0.855 109 K HN 0.199 nan 8.250 nan 0.000 0.531 110 W N 2.536 123.849 121.300 0.022 0.000 2.388 110 W HA 0.140 4.798 4.660 -0.003 0.000 0.308 110 W C -0.663 175.893 176.519 0.062 0.000 1.263 110 W CA -0.814 56.539 57.345 0.014 0.000 1.286 110 W CB 0.214 29.665 29.460 -0.017 0.000 1.294 110 W HN -0.349 nan 8.180 nan 0.000 0.493 111 V N 9.498 129.553 119.914 0.234 0.000 2.406 111 V HA 0.286 4.404 4.120 -0.003 0.000 0.272 111 V C 0.287 176.304 176.094 -0.128 0.000 1.043 111 V CA -0.480 61.843 62.300 0.038 0.000 0.915 111 V CB 0.523 32.422 31.823 0.128 0.000 0.988 111 V HN 0.321 nan 8.190 nan 0.000 0.466 112 I N 5.108 125.530 120.570 -0.246 0.000 2.466 112 I HA 0.609 4.777 4.170 -0.003 0.000 0.289 112 I C -0.419 175.626 176.117 -0.120 0.000 1.026 112 I CA -0.348 60.797 61.300 -0.259 0.000 1.078 112 I CB 1.972 39.684 38.000 -0.481 0.000 1.249 112 I HN 0.530 nan 8.210 nan 0.000 0.429 113 E N 4.543 124.707 120.200 -0.059 0.000 2.433 113 E HA 0.400 4.748 4.350 -0.003 0.000 0.278 113 E C -1.323 175.262 176.600 -0.025 0.000 0.976 113 E CA -0.869 55.511 56.400 -0.033 0.000 0.793 113 E CB 1.940 31.639 29.700 -0.001 0.000 1.311 113 E HN 0.462 nan 8.360 nan 0.000 0.460 114 E N 0.423 120.608 120.200 -0.025 0.000 2.259 114 E HA 0.628 4.976 4.350 -0.003 0.000 0.281 114 E C -0.764 175.824 176.600 -0.019 0.000 1.027 114 E CA -0.523 55.859 56.400 -0.030 0.000 0.838 114 E CB 1.374 31.053 29.700 -0.035 0.000 1.066 114 E HN 0.464 nan 8.360 nan 0.000 0.401 115 A N 3.511 126.312 122.820 -0.032 0.000 2.594 115 A HA 0.394 4.712 4.320 -0.003 0.000 0.296 115 A C -1.429 176.116 177.584 -0.065 0.000 1.061 115 A CA -0.865 51.162 52.037 -0.017 0.000 0.689 115 A CB 1.637 20.651 19.000 0.023 0.000 1.280 115 A HN 0.519 nan 8.150 nan 0.000 0.406 116 N N 1.301 119.979 118.700 -0.036 0.000 2.372 116 N HA 0.270 5.008 4.740 -0.003 0.000 0.291 116 N C 0.559 176.115 175.510 0.077 0.000 1.024 116 N CA -0.645 52.363 53.050 -0.069 0.000 0.873 116 N CB 0.800 39.267 38.487 -0.033 0.000 1.206 116 N HN 0.684 nan 8.380 nan 0.000 0.486 117 W N 2.768 124.107 121.300 0.064 0.000 2.325 117 W HA -0.112 4.546 4.660 -0.003 0.000 0.299 117 W C 1.650 178.208 176.519 0.065 0.000 1.215 117 W CA 0.470 57.864 57.345 0.081 0.000 1.244 117 W CB -0.655 28.880 29.460 0.125 0.000 1.140 117 W HN 0.556 nan 8.180 nan 0.000 0.523 118 L N -0.049 121.340 121.223 0.276 0.000 2.362 118 L HA -0.084 4.255 4.340 -0.003 0.000 0.219 118 L C 1.580 178.517 176.870 0.113 0.000 1.134 118 L CA 1.732 56.674 54.840 0.169 0.000 0.807 118 L CB -0.915 41.217 42.059 0.122 0.000 0.927 118 L HN -0.007 nan 8.230 nan 0.000 0.447 119 T N -5.130 109.487 114.554 0.106 0.000 3.460 119 T HA 0.160 4.509 4.350 -0.003 0.000 0.304 119 T C 1.022 175.772 174.700 0.084 0.000 0.991 119 T CA -0.373 61.772 62.100 0.075 0.000 0.975 119 T CB 0.188 69.085 68.868 0.049 0.000 1.196 119 T HN -0.062 nan 8.240 nan 0.000 0.490 120 L N 3.155 124.449 121.223 0.119 0.000 2.079 120 L HA -0.058 4.281 4.340 -0.003 0.000 0.210 120 L C 2.013 178.943 176.870 0.100 0.000 1.081 120 L CA 2.570 57.486 54.840 0.127 0.000 0.752 120 L CB -0.656 41.510 42.059 0.178 0.000 0.896 120 L HN 0.539 nan 8.230 nan 0.000 0.433 121 D N -1.291 119.160 120.400 0.085 0.000 2.149 121 D HA -0.273 4.365 4.640 -0.003 0.000 0.194 121 D C 1.789 178.128 176.300 0.066 0.000 1.001 121 D CA 1.912 55.955 54.000 0.071 0.000 0.849 121 D CB -0.316 40.517 40.800 0.054 0.000 0.939 121 D HN 0.372 nan 8.370 nan 0.000 0.449 122 K N -0.816 119.619 120.400 0.059 0.000 2.335 122 K HA 0.050 4.369 4.320 -0.003 0.000 0.195 122 K C 1.025 177.655 176.600 0.050 0.000 1.058 122 K CA 0.425 56.741 56.287 0.049 0.000 0.988 122 K CB 0.412 32.935 32.500 0.038 0.000 0.880 122 K HN 0.008 nan 8.250 nan 0.000 0.513 123 D N 0.952 121.384 120.400 0.054 0.000 2.219 123 D HA -0.081 4.557 4.640 -0.003 0.000 0.205 123 D C 0.596 176.931 176.300 0.060 0.000 0.970 123 D CA 0.852 54.881 54.000 0.048 0.000 0.851 123 D CB 0.207 41.033 40.800 0.044 0.000 0.943 123 D HN 0.076 nan 8.370 nan 0.000 0.488 124 V N -1.909 118.053 119.914 0.081 0.000 2.709 124 V HA 0.508 4.627 4.120 -0.003 0.000 0.308 124 V C -2.834 173.332 176.094 0.121 0.000 1.062 124 V CA -2.199 60.165 62.300 0.106 0.000 0.901 124 V CB 2.347 34.247 31.823 0.129 0.000 1.003 124 V HN -0.214 nan 8.190 nan 0.000 0.425 125 P HA 0.399 nan 4.420 nan 0.000 0.269 125 P C 0.028 177.405 177.300 0.128 0.000 1.263 125 P CA 0.392 63.553 63.100 0.101 0.000 0.813 125 P CB 1.312 33.059 31.700 0.077 0.000 0.868 126 A N 3.687 126.576 122.820 0.115 0.000 3.658 126 A HA 0.786 5.104 4.320 -0.003 0.000 0.188 126 A C 1.481 179.094 177.584 0.048 0.000 1.601 126 A CA 0.568 52.678 52.037 0.122 0.000 1.765 126 A CB -0.639 18.454 19.000 0.154 0.000 1.546 126 A HN 0.582 nan 8.150 nan 0.000 0.555 127 G N -0.004 108.826 108.800 0.050 0.000 4.655 127 G HA2 -0.410 3.548 3.960 -0.003 0.000 0.220 127 G HA3 -0.410 3.548 3.960 -0.003 0.000 0.220 127 G C 0.965 175.870 174.900 0.007 0.000 1.403 127 G CA 1.396 46.512 45.100 0.026 0.000 0.931 127 G HN 0.964 nan 8.290 nan 0.000 0.654 128 D N 1.772 122.154 120.400 -0.029 0.000 2.087 128 D HA 0.268 4.907 4.640 -0.003 0.000 0.192 128 D C 1.483 177.747 176.300 -0.061 0.000 0.993 128 D CA 2.170 56.133 54.000 -0.061 0.000 0.828 128 D CB -0.773 39.956 40.800 -0.119 0.000 0.968 128 D HN 2.136 nan 8.370 nan 0.000 0.448 129 G N -0.170 108.564 108.800 -0.109 0.000 2.587 129 G HA2 0.074 4.033 3.960 -0.003 0.000 0.686 129 G HA3 0.074 4.033 3.960 -0.003 0.000 0.686 129 G C -1.191 173.610 174.900 -0.166 0.000 1.236 129 G CA -0.599 44.491 45.100 -0.017 0.000 0.820 129 G HN 0.167 nan 8.290 nan 0.000 0.645 130 F N 0.249 120.237 119.950 0.063 0.000 2.507 130 F HA 0.518 5.043 4.527 -0.003 0.000 0.327 130 F C 1.372 177.210 175.800 0.063 0.000 1.068 130 F CA -0.673 57.363 58.000 0.060 0.000 0.965 130 F CB 1.585 40.619 39.000 0.058 0.000 1.192 130 F HN 0.421 nan 8.300 nan 0.000 0.476 131 D N 1.049 121.588 120.400 0.231 0.000 2.117 131 D HA 0.061 4.699 4.640 -0.003 0.000 0.197 131 D C 0.336 176.722 176.300 0.143 0.000 0.987 131 D CA 1.263 55.361 54.000 0.163 0.000 0.829 131 D CB 0.055 40.953 40.800 0.162 0.000 0.961 131 D HN 0.406 nan 8.370 nan 0.000 0.460 132 A N -0.128 122.783 122.820 0.152 0.000 2.455 132 A HA 0.565 4.883 4.320 -0.003 0.000 0.300 132 A C -1.170 176.452 177.584 0.062 0.000 1.040 132 A CA -0.581 51.499 52.037 0.071 0.000 0.697 132 A CB 1.972 20.965 19.000 -0.012 0.000 1.265 132 A HN -0.100 nan 8.150 nan 0.000 0.407 133 V N 3.625 123.567 119.914 0.048 0.000 2.409 133 V HA 0.533 4.651 4.120 -0.003 0.000 0.291 133 V C -0.239 175.877 176.094 0.035 0.000 1.020 133 V CA -0.302 62.007 62.300 0.015 0.000 0.848 133 V CB 1.237 33.083 31.823 0.038 0.000 0.990 133 V HN 0.828 nan 8.190 nan 0.000 0.430 134 I N 1.857 122.448 120.570 0.036 0.000 2.474 134 I HA 0.733 4.901 4.170 -0.003 0.000 0.294 134 I C -0.508 175.701 176.117 0.154 0.000 1.005 134 I CA -0.340 61.014 61.300 0.091 0.000 1.113 134 I CB 1.783 39.825 38.000 0.069 0.000 1.289 134 I HN 0.621 nan 8.210 nan 0.000 0.436 135 C N 7.833 127.250 119.300 0.196 0.000 3.164 135 C HA 0.621 5.080 4.460 -0.003 0.000 0.250 135 C C -0.309 174.856 174.990 0.292 0.000 1.151 135 C CA -0.379 58.789 59.018 0.250 0.000 1.449 135 C CB -0.983 26.859 27.740 0.170 0.000 1.825 135 C HN 0.866 nan 8.230 nan 0.000 0.478 136 L N 2.853 124.277 121.223 0.335 0.000 2.347 136 L HA 0.802 5.141 4.340 -0.003 0.000 0.268 136 L C 1.358 178.452 176.870 0.374 0.000 1.019 136 L CA 0.174 55.252 54.840 0.397 0.000 0.806 136 L CB 0.943 43.305 42.059 0.504 0.000 1.339 136 L HN 0.653 nan 8.230 nan 0.000 0.463 137 G N 0.923 109.947 108.800 0.373 0.000 2.137 137 G HA2 -0.326 3.632 3.960 -0.003 0.000 0.237 137 G HA3 -0.326 3.632 3.960 -0.003 0.000 0.237 137 G C 0.463 175.479 174.900 0.193 0.000 1.002 137 G CA 0.462 45.683 45.100 0.202 0.000 0.702 137 G HN 0.826 nan 8.290 nan 0.000 0.515 138 N N -1.276 117.556 118.700 0.220 0.000 2.725 138 N HA -0.210 4.529 4.740 -0.003 0.000 0.249 138 N C 1.369 176.983 175.510 0.173 0.000 1.103 138 N CA 1.837 55.038 53.050 0.253 0.000 0.707 138 N CB -1.247 37.402 38.487 0.269 0.000 1.043 138 N HN 0.640 nan 8.380 nan 0.000 0.553 139 S N -0.977 114.831 115.700 0.180 0.000 2.387 139 S HA 0.009 4.478 4.470 -0.003 0.000 0.226 139 S C 1.308 176.046 174.600 0.230 0.000 1.026 139 S CA 0.746 58.986 58.200 0.066 0.000 0.972 139 S CB -0.248 63.187 63.200 0.392 0.000 0.814 139 S HN 0.506 nan 8.310 nan 0.000 0.477 140 F N 2.823 122.890 119.950 0.194 0.000 2.202 140 F HA -0.110 4.415 4.527 -0.003 0.000 0.301 140 F C 2.177 178.110 175.800 0.222 0.000 1.082 140 F CA 0.920 58.976 58.000 0.093 0.000 1.313 140 F CB -0.472 38.466 39.000 -0.102 0.000 1.024 140 F HN 0.195 nan 8.300 nan 0.000 0.495 141 A N -1.282 121.713 122.820 0.291 0.000 2.248 141 A HA -0.152 4.166 4.320 -0.003 0.000 0.210 141 A C 1.667 179.449 177.584 0.329 0.000 1.174 141 A CA 1.290 53.565 52.037 0.397 0.000 0.750 141 A CB -1.375 17.996 19.000 0.618 0.000 0.780 141 A HN 0.697 nan 8.150 nan 0.000 0.478 142 H N -1.910 117.305 119.070 0.242 0.000 2.462 142 H HA 0.086 4.641 4.556 -0.003 0.000 0.292 142 H C 0.360 175.717 175.328 0.050 0.000 1.049 142 H CA -0.055 56.038 56.048 0.075 0.000 1.334 142 H CB 0.116 29.923 29.762 0.076 0.000 1.404 142 H HN 0.408 nan 8.280 nan 0.000 0.544 143 L N 4.137 125.468 121.223 0.179 0.000 2.433 143 L HA 0.131 4.469 4.340 -0.003 0.000 0.275 143 L C -2.131 174.849 176.870 0.184 0.000 1.128 143 L CA -1.814 53.102 54.840 0.127 0.000 0.875 143 L CB 0.445 42.522 42.059 0.029 0.000 1.171 143 L HN -0.062 nan 8.230 nan 0.000 0.463 144 P HA 0.142 nan 4.420 nan 0.000 0.279 144 P C -1.269 176.082 177.300 0.085 0.000 1.282 144 P CA -0.431 62.761 63.100 0.154 0.000 0.788 144 P CB 0.777 32.505 31.700 0.048 0.000 1.139 145 D N -0.930 119.507 120.400 0.062 0.000 2.483 145 D HA 0.191 4.829 4.640 -0.003 0.000 0.281 145 D C 0.827 177.190 176.300 0.106 0.000 1.174 145 D CA -0.333 53.606 54.000 -0.102 0.000 0.938 145 D CB -0.131 40.566 40.800 -0.171 0.000 1.002 145 D HN 0.018 nan 8.370 nan 0.000 0.501 146 S N 1.864 117.588 115.700 0.040 0.000 2.353 146 S HA -0.191 4.278 4.470 -0.003 0.000 0.222 146 S C 1.722 176.343 174.600 0.036 0.000 1.035 146 S CA 0.965 59.202 58.200 0.060 0.000 1.025 146 S CB -0.018 63.193 63.200 0.020 0.000 0.902 146 S HN 0.319 nan 8.310 nan 0.000 0.440 147 K N 0.759 121.153 120.400 -0.010 0.000 2.211 147 K HA 0.036 4.354 4.320 -0.003 0.000 0.203 147 K C 1.344 177.924 176.600 -0.034 0.000 1.050 147 K CA 1.053 57.325 56.287 -0.025 0.000 0.945 147 K CB -0.623 31.853 32.500 -0.039 0.000 0.732 147 K HN 0.467 nan 8.250 nan 0.000 0.451 148 G N 0.323 109.104 108.800 -0.031 0.000 2.175 148 G HA2 -0.253 3.706 3.960 -0.003 0.000 0.244 148 G HA3 -0.253 3.706 3.960 -0.003 0.000 0.244 148 G C 0.304 175.179 174.900 -0.041 0.000 0.982 148 G CA 0.623 45.697 45.100 -0.043 0.000 0.641 148 G HN 0.528 nan 8.290 nan 0.000 0.527 149 D N -0.173 120.192 120.400 -0.059 0.000 2.431 149 D HA 0.228 4.867 4.640 -0.003 0.000 0.213 149 D C 1.093 177.343 176.300 -0.083 0.000 1.130 149 D CA 0.495 54.464 54.000 -0.052 0.000 0.834 149 D CB -0.292 40.483 40.800 -0.042 0.000 0.985 149 D HN 0.519 nan 8.370 nan 0.000 0.504 150 Q N -0.181 119.514 119.800 -0.175 0.000 2.452 150 Q HA -0.253 4.085 4.340 -0.003 0.000 0.248 150 Q C 1.115 177.002 176.000 -0.188 0.000 0.874 150 Q CA 0.908 56.533 55.803 -0.297 0.000 1.208 150 Q CB -1.966 26.700 28.738 -0.120 0.000 1.569 150 Q HN 0.516 nan 8.270 nan 0.000 0.579 151 S N -0.914 114.707 115.700 -0.132 0.000 2.399 151 S HA -0.183 4.286 4.470 -0.003 0.000 0.231 151 S C 1.391 175.964 174.600 -0.046 0.000 1.022 151 S CA 1.251 59.411 58.200 -0.066 0.000 0.983 151 S CB -0.014 63.157 63.200 -0.048 0.000 0.803 151 S HN 0.483 nan 8.310 nan 0.000 0.480 152 E N 0.946 121.092 120.200 -0.091 0.000 2.072 152 E HA -0.143 4.206 4.350 -0.003 0.000 0.191 152 E C 2.032 178.698 176.600 0.109 0.000 0.985 152 E CA 1.382 57.777 56.400 -0.009 0.000 0.801 152 E CB -0.335 29.346 29.700 -0.033 0.000 0.750 152 E HN 0.767 nan 8.360 nan 0.000 0.452 153 H N 0.318 119.410 119.070 0.036 0.000 2.290 153 H HA -0.078 4.476 4.556 -0.003 0.000 0.298 153 H C 2.383 177.781 175.328 0.117 0.000 1.087 153 H CA 1.044 57.183 56.048 0.152 0.000 1.291 153 H CB 0.047 29.889 29.762 0.134 0.000 1.369 153 H HN 0.009 nan 8.280 nan 0.000 0.492 154 R N 0.211 120.795 120.500 0.139 0.000 2.096 154 R HA -0.134 4.205 4.340 -0.003 0.000 0.235 154 R C 2.332 178.642 176.300 0.017 0.000 1.127 154 R CA 1.113 57.228 56.100 0.025 0.000 0.968 154 R CB -0.293 30.003 30.300 -0.008 0.000 0.861 154 R HN 0.196 nan 8.270 nan 0.000 0.440 155 L N 0.722 121.974 121.223 0.048 0.000 2.056 155 L HA -0.047 4.291 4.340 -0.003 0.000 0.207 155 L C 2.262 179.176 176.870 0.073 0.000 1.078 155 L CA 1.847 56.715 54.840 0.046 0.000 0.749 155 L CB -0.612 41.480 42.059 0.054 0.000 0.901 155 L HN 0.114 nan 8.230 nan 0.000 0.433 156 A N -0.413 122.494 122.820 0.146 0.000 1.877 156 A HA -0.171 4.147 4.320 -0.003 0.000 0.216 156 A C 2.268 179.870 177.584 0.029 0.000 1.186 156 A CA 2.007 54.156 52.037 0.188 0.000 0.620 156 A CB -0.956 18.245 19.000 0.334 0.000 0.822 156 A HN 0.482 nan 8.150 nan 0.000 0.443 157 L N -0.710 120.488 121.223 -0.041 0.000 2.046 157 L HA -0.220 4.118 4.340 -0.003 0.000 0.208 157 L C 2.669 179.389 176.870 -0.251 0.000 1.077 157 L CA 2.036 56.716 54.840 -0.266 0.000 0.747 157 L CB -0.439 41.388 42.059 -0.388 0.000 0.896 157 L HN 0.515 nan 8.230 nan 0.000 0.432 158 K N 0.119 120.415 120.400 -0.173 0.000 2.097 158 K HA -0.170 4.149 4.320 -0.003 0.000 0.206 158 K C 1.893 178.408 176.600 -0.141 0.000 1.049 158 K CA 1.424 57.602 56.287 -0.182 0.000 0.933 158 K CB 0.076 32.510 32.500 -0.110 0.000 0.717 158 K HN 0.245 nan 8.250 nan 0.000 0.442 159 N N 0.835 119.496 118.700 -0.064 0.000 2.171 159 N HA -0.092 4.646 4.740 -0.003 0.000 0.184 159 N C 1.808 177.304 175.510 -0.023 0.000 1.021 159 N CA 1.147 54.191 53.050 -0.009 0.000 0.854 159 N CB -0.108 38.419 38.487 0.067 0.000 0.994 159 N HN 0.237 nan 8.380 nan 0.000 0.426 160 I N 0.973 121.501 120.570 -0.069 0.000 2.226 160 I HA -0.212 3.956 4.170 -0.003 0.000 0.245 160 I C 2.152 178.197 176.117 -0.119 0.000 1.100 160 I CA 0.942 62.193 61.300 -0.083 0.000 1.374 160 I CB -0.195 37.694 38.000 -0.185 0.000 1.057 160 I HN 0.062 nan 8.210 nan 0.000 0.413 161 A N 0.336 122.995 122.820 -0.269 0.000 2.015 161 A HA -0.179 4.139 4.320 -0.003 0.000 0.219 161 A C 2.374 179.809 177.584 -0.249 0.000 1.163 161 A CA 1.722 53.480 52.037 -0.466 0.000 0.646 161 A CB -0.677 17.625 19.000 -1.162 0.000 0.806 161 A HN 0.519 nan 8.150 nan 0.000 0.448 162 S N -1.142 114.468 115.700 -0.149 0.000 2.555 162 S HA -0.013 4.455 4.470 -0.003 0.000 0.230 162 S C 1.513 176.146 174.600 0.054 0.000 0.978 162 S CA 1.007 59.183 58.200 -0.041 0.000 0.934 162 S CB -0.330 62.855 63.200 -0.025 0.000 0.766 162 S HN 0.356 nan 8.310 nan 0.000 0.533 163 M N 1.356 121.005 119.600 0.082 0.000 2.541 163 M HA 0.291 4.769 4.480 -0.003 0.000 0.252 163 M C 0.165 176.630 176.300 0.274 0.000 1.125 163 M CA 0.154 55.577 55.300 0.204 0.000 1.091 163 M CB -0.486 32.201 32.600 0.144 0.000 1.420 163 M HN 0.107 nan 8.290 nan 0.000 0.486 164 V N 3.532 123.563 119.914 0.194 0.000 2.427 164 V HA 0.132 4.251 4.120 -0.003 0.000 0.268 164 V C 0.793 177.004 176.094 0.195 0.000 1.046 164 V CA -0.707 61.729 62.300 0.227 0.000 0.970 164 V CB 0.132 32.125 31.823 0.283 0.000 1.001 164 V HN 0.465 nan 8.190 nan 0.000 0.476 165 R N 5.488 126.090 120.500 0.170 0.000 2.738 165 R HA 0.286 4.624 4.340 -0.003 0.000 0.268 165 R C -2.647 173.722 176.300 0.115 0.000 1.062 165 R CA -1.386 54.784 56.100 0.116 0.000 1.158 165 R CB -0.420 29.929 30.300 0.082 0.000 1.046 165 R HN 0.344 nan 8.270 nan 0.000 0.493 166 P HA 0.006 nan 4.420 nan 0.000 0.265 166 P C 0.355 177.699 177.300 0.073 0.000 1.193 166 P CA 1.488 64.638 63.100 0.084 0.000 0.765 166 P CB 0.781 32.519 31.700 0.064 0.000 0.823 167 G N 1.894 110.734 108.800 0.066 0.000 2.184 167 G HA2 -0.189 3.770 3.960 -0.003 0.000 0.264 167 G HA3 -0.189 3.770 3.960 -0.003 0.000 0.264 167 G C 0.673 175.615 174.900 0.070 0.000 0.975 167 G CA -0.048 45.087 45.100 0.059 0.000 0.642 167 G HN 0.874 nan 8.290 nan 0.000 0.536 168 G N -1.061 107.788 108.800 0.081 0.000 2.588 168 G HA2 0.657 4.616 3.960 -0.003 0.000 0.281 168 G HA3 0.657 4.616 3.960 -0.003 0.000 0.281 168 G C -0.424 174.503 174.900 0.045 0.000 1.236 168 G CA -0.140 45.012 45.100 0.086 0.000 0.969 168 G HN 0.949 nan 8.290 nan 0.000 0.504 169 L N -0.857 120.381 121.223 0.025 0.000 2.342 169 L HA 0.775 5.113 4.340 -0.003 0.000 0.271 169 L C -1.081 175.809 176.870 0.034 0.000 1.008 169 L CA -0.901 53.910 54.840 -0.047 0.000 0.818 169 L CB 2.067 44.009 42.059 -0.194 0.000 1.296 169 L HN 0.442 nan 8.230 nan 0.000 0.427 170 L N 5.003 126.257 121.223 0.052 0.000 2.409 170 L HA 0.758 5.096 4.340 -0.003 0.000 0.272 170 L C -1.591 175.348 176.870 0.114 0.000 0.980 170 L CA -0.329 54.590 54.840 0.131 0.000 0.826 170 L CB 2.034 44.269 42.059 0.293 0.000 1.268 170 L HN 0.327 nan 8.230 nan 0.000 0.407 171 V N 6.755 126.743 119.914 0.122 0.000 2.444 171 V HA 0.606 4.724 4.120 -0.003 0.000 0.294 171 V C -0.438 175.791 176.094 0.225 0.000 1.022 171 V CA -0.424 61.987 62.300 0.185 0.000 0.850 171 V CB 1.511 33.434 31.823 0.167 0.000 0.992 171 V HN 0.768 nan 8.190 nan 0.000 0.426 172 I N 4.564 125.299 120.570 0.275 0.000 2.692 172 I HA 0.653 4.821 4.170 -0.003 0.000 0.293 172 I C -1.661 174.637 176.117 0.302 0.000 1.200 172 I CA -0.231 61.222 61.300 0.255 0.000 1.036 172 I CB 2.439 40.540 38.000 0.168 0.000 1.258 172 I HN 0.830 nan 8.210 nan 0.000 0.421 173 D N 5.430 125.982 120.400 0.254 0.000 2.585 173 D HA 0.625 5.264 4.640 -0.003 0.000 0.254 173 D C -1.294 175.085 176.300 0.131 0.000 1.067 173 D CA -0.208 53.910 54.000 0.197 0.000 1.090 173 D CB 1.334 42.283 40.800 0.248 0.000 1.408 173 D HN 0.617 nan 8.370 nan 0.000 0.554 174 H N -2.979 116.119 119.070 0.047 0.000 3.094 174 H HA 0.421 4.975 4.556 -0.003 0.000 0.346 174 H C -0.617 174.647 175.328 -0.106 0.000 1.238 174 H CA -0.868 55.178 56.048 -0.002 0.000 1.209 174 H CB 0.736 30.416 29.762 -0.137 0.000 1.911 174 H HN 0.361 nan 8.280 nan 0.000 0.540 175 R N 0.648 120.955 120.500 -0.321 0.000 2.827 175 R HA -0.019 4.319 4.340 -0.003 0.000 0.269 175 R C 0.550 176.440 176.300 -0.683 0.000 1.048 175 R CA -0.411 55.135 56.100 -0.924 0.000 1.173 175 R CB 0.279 29.862 30.300 -1.195 0.000 1.070 175 R HN 0.512 nan 8.270 nan 0.000 0.498 176 N N 1.700 120.006 118.700 -0.657 0.000 2.671 176 N HA -0.046 4.693 4.740 -0.003 0.000 0.274 176 N C -0.127 175.290 175.510 -0.156 0.000 1.188 176 N CA 0.259 53.175 53.050 -0.225 0.000 1.065 176 N CB 0.055 38.320 38.487 -0.369 0.000 1.415 176 N HN 0.434 nan 8.380 nan 0.000 0.511 177 Y N 0.890 121.278 120.300 0.146 0.000 2.509 177 Y HA -0.038 4.511 4.550 -0.003 0.000 0.293 177 Y C 1.420 177.370 175.900 0.084 0.000 1.133 177 Y CA 0.476 58.623 58.100 0.077 0.000 1.283 177 Y CB 0.161 38.656 38.460 0.058 0.000 1.001 177 Y HN 0.446 nan 8.280 nan 0.000 0.555 178 D N -1.194 119.359 120.400 0.254 0.000 2.097 178 D HA -0.241 4.398 4.640 -0.003 0.000 0.195 178 D C 1.799 178.191 176.300 0.153 0.000 0.989 178 D CA 1.468 55.578 54.000 0.184 0.000 0.827 178 D CB -0.513 40.398 40.800 0.185 0.000 0.966 178 D HN 0.377 nan 8.370 nan 0.000 0.456 179 Y N 1.214 121.529 120.300 0.024 0.000 2.145 179 Y HA -0.161 4.388 4.550 -0.002 0.000 0.286 179 Y C 1.924 177.801 175.900 -0.038 0.000 1.145 179 Y CA 1.322 59.403 58.100 -0.032 0.000 1.148 179 Y CB -0.240 38.159 38.460 -0.102 0.000 0.981 179 Y HN -0.061 nan 8.280 nan 0.000 0.507 180 I N -0.528 120.096 120.570 0.090 0.000 2.163 180 I HA -0.320 3.849 4.170 -0.003 0.000 0.243 180 I C 2.015 178.097 176.117 -0.058 0.000 1.085 180 I CA 1.076 62.372 61.300 -0.007 0.000 1.347 180 I CB -0.445 37.616 38.000 0.101 0.000 1.044 180 I HN 0.258 nan 8.210 nan 0.000 0.408 181 L N 0.543 121.769 121.223 0.006 0.000 2.275 181 L HA -0.149 4.189 4.340 -0.003 0.000 0.215 181 L C 2.637 179.469 176.870 -0.064 0.000 1.119 181 L CA 1.907 56.734 54.840 -0.022 0.000 0.790 181 L CB -0.834 41.231 42.059 0.010 0.000 0.919 181 L HN 0.344 nan 8.230 nan 0.000 0.443 182 S N -3.273 112.367 115.700 -0.100 0.000 2.486 182 S HA -0.025 4.443 4.470 -0.003 0.000 0.220 182 S C 1.682 176.169 174.600 -0.187 0.000 1.011 182 S CA 0.638 58.769 58.200 -0.116 0.000 0.921 182 S CB -0.309 62.840 63.200 -0.085 0.000 0.785 182 S HN 0.491 nan 8.310 nan 0.000 0.517 183 T N -3.260 111.111 114.554 -0.306 0.000 3.001 183 T HA 0.485 4.834 4.350 -0.003 0.000 0.251 183 T C 1.648 176.213 174.700 -0.226 0.000 1.040 183 T CA 0.708 62.608 62.100 -0.335 0.000 0.985 183 T CB -0.155 68.334 68.868 -0.632 0.000 1.011 183 T HN 1.131 nan 8.240 nan 0.000 0.509 184 G N 0.744 109.434 108.800 -0.184 0.000 2.166 184 G HA2 -0.248 3.710 3.960 -0.003 0.000 0.260 184 G HA3 -0.248 3.710 3.960 -0.003 0.000 0.260 184 G C 0.135 174.968 174.900 -0.112 0.000 0.986 184 G CA 0.081 45.109 45.100 -0.120 0.000 0.683 184 G HN 0.828 nan 8.290 nan 0.000 0.527 185 C N -0.144 119.071 119.300 -0.141 0.000 2.783 185 C HA 0.839 5.297 4.460 -0.003 0.000 0.312 185 C C 0.757 175.719 174.990 -0.045 0.000 1.182 185 C CA -0.540 58.422 59.018 -0.095 0.000 1.432 185 C CB 1.302 28.992 27.740 -0.084 0.000 1.933 185 C HN 1.238 nan 8.230 nan 0.000 0.473 186 A N 4.268 127.064 122.820 -0.041 0.000 2.445 186 A HA 0.616 4.934 4.320 -0.003 0.000 0.242 186 A C -1.989 175.618 177.584 0.039 0.000 1.075 186 A CA -0.466 51.554 52.037 -0.028 0.000 0.777 186 A CB -0.266 18.665 19.000 -0.116 0.000 1.013 186 A HN 0.735 nan 8.150 nan 0.000 0.493 187 P HA 0.177 nan 4.420 nan 0.000 0.269 187 P C -2.553 174.727 177.300 -0.032 0.000 1.209 187 P CA -0.901 62.201 63.100 0.003 0.000 0.776 187 P CB -0.360 31.191 31.700 -0.249 0.000 0.876 188 P HA -0.011 nan 4.420 nan 0.000 0.262 188 P C 0.636 177.933 177.300 -0.006 0.000 1.182 188 P CA 0.399 63.496 63.100 -0.004 0.000 0.761 188 P CB -0.033 31.670 31.700 0.005 0.000 0.795 189 G N 3.410 112.222 108.800 0.019 0.000 2.573 189 G HA2 -0.161 3.797 3.960 -0.003 0.000 0.274 189 G HA3 -0.161 3.797 3.960 -0.003 0.000 0.274 189 G C 0.458 175.376 174.900 0.029 0.000 0.575 189 G CA 0.148 45.273 45.100 0.043 0.000 1.076 189 G HN 0.654 nan 8.290 nan 0.000 0.264 190 K N 1.325 121.738 120.400 0.020 0.000 3.164 190 K HA 0.047 4.365 4.320 -0.003 0.000 0.214 190 K C 0.782 177.377 176.600 -0.008 0.000 1.957 190 K CA -0.398 55.893 56.287 0.007 0.000 1.446 190 K CB -0.046 32.444 32.500 -0.017 0.000 2.272 190 K HN 0.463 nan 8.250 nan 0.000 0.592 191 N N 2.235 120.915 118.700 -0.032 0.000 2.609 191 N HA -0.161 4.578 4.740 -0.003 0.000 0.304 191 N C -0.023 175.394 175.510 -0.155 0.000 1.284 191 N CA 0.597 53.573 53.050 -0.123 0.000 0.702 191 N CB 0.034 38.358 38.487 -0.272 0.000 1.002 191 N HN 0.285 nan 8.380 nan 0.000 0.535 192 I N 1.305 121.831 120.570 -0.074 0.000 3.680 192 I HA 0.071 4.240 4.170 -0.003 0.000 0.306 192 I C 1.226 177.383 176.117 0.067 0.000 1.260 192 I CA 0.143 61.445 61.300 0.004 0.000 1.201 192 I CB -0.654 37.354 38.000 0.013 0.000 1.009 192 I HN 0.315 nan 8.210 nan 0.000 0.467 193 Y N 1.141 121.196 120.300 -0.407 0.000 2.301 193 Y HA 0.187 4.735 4.550 -0.002 0.000 0.295 193 Y C 0.720 176.437 175.900 -0.305 0.000 1.119 193 Y CA 0.073 57.906 58.100 -0.445 0.000 1.162 193 Y CB -0.185 37.845 38.460 -0.717 0.000 1.046 193 Y HN 0.336 nan 8.280 nan 0.000 0.538 194 Y N -1.660 118.664 120.300 0.040 0.000 2.609 194 Y HA 0.545 5.094 4.550 -0.003 0.000 0.342 194 Y C -0.895 175.013 175.900 0.014 0.000 1.058 194 Y CA -2.809 55.287 58.100 -0.007 0.000 1.055 194 Y CB 0.574 39.004 38.460 -0.050 0.000 1.292 194 Y HN -0.234 nan 8.280 nan 0.000 0.476 195 K N 0.752 121.299 120.400 0.245 0.000 2.266 195 K HA 0.421 4.740 4.320 -0.003 0.000 0.274 195 K C -0.417 176.275 176.600 0.153 0.000 1.090 195 K CA -0.548 55.833 56.287 0.157 0.000 0.925 195 K CB 1.407 33.960 32.500 0.088 0.000 1.225 195 K HN 0.604 nan 8.250 nan 0.000 0.458 196 S N 3.286 119.103 115.700 0.194 0.000 2.494 196 S HA 0.026 4.494 4.470 -0.003 0.000 0.312 196 S C 0.071 174.718 174.600 0.079 0.000 1.121 196 S CA -0.663 57.622 58.200 0.142 0.000 1.068 196 S CB -0.077 63.259 63.200 0.227 0.000 1.141 196 S HN 0.456 nan 8.310 nan 0.000 0.527 197 D N 3.554 123.973 120.400 0.032 0.000 2.344 197 D HA 0.120 4.758 4.640 -0.003 0.000 0.242 197 D C -0.501 175.808 176.300 0.016 0.000 1.159 197 D CA 0.171 54.183 54.000 0.021 0.000 0.859 197 D CB 0.154 40.955 40.800 0.000 0.000 0.925 197 D HN 0.344 nan 8.370 nan 0.000 0.510 198 L N 0.690 121.933 121.223 0.033 0.000 2.441 198 L HA 0.215 4.553 4.340 -0.003 0.000 0.270 198 L C -0.187 176.732 176.870 0.081 0.000 0.973 198 L CA -0.399 54.463 54.840 0.037 0.000 0.842 198 L CB 1.891 43.963 42.059 0.023 0.000 1.239 198 L HN -0.287 nan 8.230 nan 0.000 0.406 199 T N 4.410 119.005 114.554 0.067 0.000 2.946 199 T HA 0.280 4.628 4.350 -0.003 0.000 0.311 199 T C -0.184 174.599 174.700 0.140 0.000 1.063 199 T CA 0.147 62.307 62.100 0.100 0.000 1.139 199 T CB 0.218 69.142 68.868 0.093 0.000 0.994 199 T HN 0.469 nan 8.240 nan 0.000 0.547 200 K N 1.387 121.888 120.400 0.168 0.000 2.512 200 K HA 0.523 4.842 4.320 -0.003 0.000 0.263 200 K C -1.342 175.349 176.600 0.152 0.000 0.966 200 K CA -0.917 55.486 56.287 0.193 0.000 0.851 200 K CB 2.107 34.757 32.500 0.250 0.000 1.395 200 K HN 0.521 nan 8.250 nan 0.000 0.440 201 D N 1.767 122.242 120.400 0.126 0.000 2.575 201 D HA 0.314 4.953 4.640 -0.003 0.000 0.250 201 D C -1.234 175.052 176.300 -0.023 0.000 1.279 201 D CA -0.402 53.634 54.000 0.059 0.000 0.925 201 D CB 0.798 41.645 40.800 0.078 0.000 1.261 201 D HN 0.364 nan 8.370 nan 0.000 0.567 202 I N 3.081 123.599 120.570 -0.086 0.000 2.315 202 I HA 0.274 4.443 4.170 -0.003 0.000 0.291 202 I C 0.239 176.256 176.117 -0.168 0.000 1.006 202 I CA -0.432 60.739 61.300 -0.215 0.000 1.265 202 I CB 1.733 39.563 38.000 -0.284 0.000 1.387 202 I HN 0.254 nan 8.210 nan 0.000 0.475 203 T N 4.537 118.983 114.554 -0.179 0.000 2.799 203 T HA 0.319 4.668 4.350 -0.003 0.000 0.286 203 T C 0.036 174.652 174.700 -0.141 0.000 0.973 203 T CA -0.314 61.711 62.100 -0.125 0.000 1.035 203 T CB 1.061 69.872 68.868 -0.094 0.000 0.932 203 T HN 0.499 nan 8.240 nan 0.000 0.469 204 T N 3.135 117.625 114.554 -0.108 0.000 2.770 204 T HA 0.470 4.819 4.350 -0.003 0.000 0.283 204 T C -0.180 174.481 174.700 -0.065 0.000 0.988 204 T CA -0.596 61.449 62.100 -0.092 0.000 0.957 204 T CB 1.010 69.826 68.868 -0.087 0.000 0.930 204 T HN 0.417 nan 8.240 nan 0.000 0.443 205 S N 2.355 118.024 115.700 -0.051 0.000 2.449 205 S HA 0.575 5.043 4.470 -0.003 0.000 0.310 205 S C -0.307 174.271 174.600 -0.038 0.000 1.096 205 S CA -0.689 57.487 58.200 -0.041 0.000 1.095 205 S CB 1.167 64.346 63.200 -0.035 0.000 1.007 205 S HN 0.500 nan 8.310 nan 0.000 0.474 206 V N 4.458 124.346 119.914 -0.042 0.000 2.384 206 V HA 0.452 4.571 4.120 -0.003 0.000 0.287 206 V C -0.585 175.484 176.094 -0.042 0.000 1.020 206 V CA -0.722 61.549 62.300 -0.049 0.000 0.850 206 V CB 1.401 33.192 31.823 -0.052 0.000 0.987 206 V HN 0.714 nan 8.190 nan 0.000 0.436 207 L N 5.467 126.664 121.223 -0.044 0.000 2.272 207 L HA 0.693 5.032 4.340 -0.003 0.000 0.289 207 L C 0.134 177.000 176.870 -0.005 0.000 1.032 207 L CA 0.718 55.547 54.840 -0.018 0.000 0.810 207 L CB 1.666 43.723 42.059 -0.003 0.000 1.205 207 L HN 0.702 nan 8.230 nan 0.000 0.422 208 T N 4.328 118.880 114.554 -0.002 0.000 2.823 208 T HA 0.648 4.996 4.350 -0.003 0.000 0.279 208 T C -0.869 173.834 174.700 0.005 0.000 0.998 208 T CA -0.424 61.676 62.100 -0.000 0.000 0.994 208 T CB 1.645 70.504 68.868 -0.015 0.000 0.960 208 T HN 0.311 nan 8.240 nan 0.000 0.448 209 V N 4.592 124.505 119.914 -0.001 0.000 2.407 209 V HA 0.369 4.488 4.120 -0.003 0.000 0.291 209 V C 0.130 176.203 176.094 -0.036 0.000 1.018 209 V CA -1.028 61.255 62.300 -0.029 0.000 0.842 209 V CB 1.169 32.944 31.823 -0.080 0.000 0.996 209 V HN 0.996 nan 8.190 nan 0.000 0.426 210 N N 4.319 123.002 118.700 -0.028 0.000 2.725 210 N HA -0.248 4.491 4.740 -0.003 0.000 0.249 210 N C 0.863 176.362 175.510 -0.018 0.000 1.103 210 N CA 1.310 54.346 53.050 -0.024 0.000 0.707 210 N CB -1.204 37.265 38.487 -0.030 0.000 1.043 210 N HN 1.084 nan 8.380 nan 0.000 0.553 211 N N -1.696 116.995 118.700 -0.015 0.000 2.965 211 N HA -0.237 4.502 4.740 -0.003 0.000 0.232 211 N C -0.391 175.113 175.510 -0.009 0.000 0.913 211 N CA 1.250 54.294 53.050 -0.011 0.000 0.981 211 N CB -0.396 38.086 38.487 -0.009 0.000 1.077 211 N HN 0.520 nan 8.380 nan 0.000 0.589 212 K N 1.313 121.708 120.400 -0.009 0.000 2.213 212 K HA 0.561 4.880 4.320 -0.003 0.000 0.270 212 K C -0.079 176.518 176.600 -0.004 0.000 1.002 212 K CA 0.048 56.334 56.287 -0.001 0.000 0.868 212 K CB 1.065 33.570 32.500 0.007 0.000 1.093 212 K HN 0.228 nan 8.250 nan 0.000 0.454 213 A N 3.685 126.488 122.820 -0.028 0.000 2.520 213 A HA -0.016 4.302 4.320 -0.003 0.000 0.245 213 A C 0.348 177.885 177.584 -0.079 0.000 1.072 213 A CA 0.301 52.295 52.037 -0.073 0.000 0.761 213 A CB -0.017 18.906 19.000 -0.128 0.000 1.004 213 A HN 1.072 nan 8.150 nan 0.000 0.499 214 H N 1.792 120.744 119.070 -0.197 0.000 3.091 214 H HA 0.477 5.032 4.556 -0.003 0.000 0.249 214 H C 0.002 175.180 175.328 -0.250 0.000 0.985 214 H CA 0.509 56.444 56.048 -0.188 0.000 1.177 214 H CB 0.397 30.123 29.762 -0.060 0.000 1.456 214 H HN 0.724 nan 8.280 nan 0.000 0.467 215 M N 1.345 120.766 119.600 -0.298 0.000 2.562 215 M HA 0.322 4.800 4.480 -0.003 0.000 0.281 215 M C -2.353 173.839 176.300 -0.180 0.000 1.195 215 M CA -0.617 54.501 55.300 -0.303 0.000 0.888 215 M CB 2.620 35.051 32.600 -0.283 0.000 1.731 215 M HN -0.144 nan 8.290 nan 0.000 0.493 216 V N 2.325 122.167 119.914 -0.120 0.000 2.531 216 V HA 0.590 4.708 4.120 -0.003 0.000 0.301 216 V C -0.630 175.522 176.094 0.096 0.000 1.034 216 V CA -0.371 61.913 62.300 -0.027 0.000 0.865 216 V CB 2.228 34.033 31.823 -0.029 0.000 0.995 216 V HN 0.916 nan 8.190 nan 0.000 0.424 217 T N 6.424 121.013 114.554 0.058 0.000 2.797 217 T HA 0.640 4.989 4.350 -0.003 0.000 0.279 217 T C -0.840 173.896 174.700 0.060 0.000 0.991 217 T CA -0.361 61.788 62.100 0.083 0.000 0.979 217 T CB 1.186 70.062 68.868 0.013 0.000 0.943 217 T HN 0.191 nan 8.240 nan 0.000 0.444 218 L N 3.759 125.053 121.223 0.118 0.000 2.305 218 L HA 0.441 4.780 4.340 -0.003 0.000 0.284 218 L C -0.227 176.551 176.870 -0.154 0.000 1.013 218 L CA -0.499 54.292 54.840 -0.082 0.000 0.819 218 L CB 1.586 43.559 42.059 -0.145 0.000 1.227 218 L HN 0.571 nan 8.230 nan 0.000 0.417 219 D N 3.460 123.714 120.400 -0.243 0.000 2.329 219 D HA 0.230 4.868 4.640 -0.003 0.000 0.232 219 D C -0.937 175.159 176.300 -0.340 0.000 1.088 219 D CA -0.071 53.810 54.000 -0.199 0.000 0.835 219 D CB 0.949 41.682 40.800 -0.112 0.000 1.078 219 D HN 0.215 nan 8.370 nan 0.000 0.495 220 Y N 0.852 120.864 120.300 -0.479 0.000 2.341 220 Y HA 0.207 4.756 4.550 -0.003 0.000 0.340 220 Y C 0.977 176.727 175.900 -0.250 0.000 0.997 220 Y CA -0.454 57.373 58.100 -0.455 0.000 1.149 220 Y CB 1.342 39.264 38.460 -0.898 0.000 1.171 220 Y HN 0.012 nan 8.280 nan 0.000 0.494 221 T N 4.474 119.068 114.554 0.065 0.000 2.781 221 T HA 0.416 4.764 4.350 -0.003 0.000 0.305 221 T C -0.226 174.607 174.700 0.223 0.000 1.001 221 T CA -0.539 61.654 62.100 0.156 0.000 0.950 221 T CB 0.019 68.986 68.868 0.165 0.000 0.955 221 T HN 0.260 nan 8.240 nan 0.000 0.471 222 V N 3.145 123.190 119.914 0.218 0.000 2.539 222 V HA 0.593 4.711 4.120 -0.003 0.000 0.292 222 V C 0.735 176.820 176.094 -0.014 0.000 1.045 222 V CA -0.816 61.583 62.300 0.165 0.000 0.945 222 V CB 1.147 33.107 31.823 0.228 0.000 0.993 222 V HN 0.939 nan 8.190 nan 0.000 0.464 223 Q N 3.791 123.487 119.800 -0.172 0.000 2.452 223 Q HA 0.490 4.829 4.340 -0.003 0.000 0.230 223 Q C -0.045 175.782 176.000 -0.289 0.000 1.180 223 Q CA -0.377 55.097 55.803 -0.550 0.000 0.914 223 Q CB 0.328 28.737 28.738 -0.549 0.000 1.408 223 Q HN 1.261 nan 8.270 nan 0.000 0.520 224 V N -0.408 119.371 119.914 -0.226 0.000 2.644 224 V HA 0.511 4.629 4.120 -0.003 0.000 0.305 224 V C -1.026 175.001 176.094 -0.112 0.000 1.053 224 V CA -0.578 61.659 62.300 -0.106 0.000 1.186 224 V CB 0.008 31.799 31.823 -0.053 0.000 0.895 224 V HN 0.702 nan 8.190 nan 0.000 0.490 225 P HA 0.438 nan 4.420 nan 0.000 0.259 225 P C 0.826 178.100 177.300 -0.043 0.000 1.211 225 P CA 0.604 63.669 63.100 -0.057 0.000 0.810 225 P CB -0.522 31.154 31.700 -0.041 0.000 0.815 226 G N 2.082 110.856 108.800 -0.045 0.000 2.675 226 G HA2 0.384 4.342 3.960 -0.003 0.000 0.196 226 G HA3 0.384 4.342 3.960 -0.003 0.000 0.196 226 G C 0.064 174.955 174.900 -0.015 0.000 0.679 226 G CA 0.142 45.228 45.100 -0.023 0.000 0.886 226 G HN 1.489 nan 8.290 nan 0.000 0.320 234 G N 0.019 108.773 108.800 -0.077 0.000 2.476 234 G HA2 0.640 4.599 3.960 -0.003 0.000 0.269 234 G HA3 0.640 4.599 3.960 -0.003 0.000 0.269 234 G C -0.449 174.340 174.900 -0.185 0.000 1.195 234 G CA -0.256 44.855 45.100 0.018 0.000 0.843 234 G HN 0.310 nan 8.290 nan 0.000 0.545 235 F N 0.313 120.293 119.950 0.049 0.000 2.536 235 F HA 0.556 5.082 4.527 -0.003 0.000 0.322 235 F C 0.443 176.282 175.800 0.065 0.000 1.144 235 F CA -0.528 57.507 58.000 0.058 0.000 0.924 235 F CB 2.481 41.509 39.000 0.047 0.000 1.181 235 F HN 0.390 nan 8.300 nan 0.000 0.438 236 S N 2.389 118.213 115.700 0.206 0.000 2.704 236 S HA 0.866 5.334 4.470 -0.003 0.000 0.296 236 S C -1.107 173.612 174.600 0.199 0.000 1.138 236 S CA -1.089 57.218 58.200 0.179 0.000 0.875 236 S CB 2.807 66.094 63.200 0.146 0.000 1.151 236 S HN 0.612 nan 8.310 nan 0.000 0.500 237 K N 0.003 120.519 120.400 0.194 0.000 2.556 237 K HA 0.691 5.010 4.320 -0.003 0.000 0.274 237 K C -1.676 175.079 176.600 0.258 0.000 0.966 237 K CA -0.907 55.496 56.287 0.194 0.000 0.865 237 K CB 1.294 33.851 32.500 0.094 0.000 1.444 237 K HN 0.570 nan 8.250 nan 0.000 0.433 238 F N -1.115 118.921 119.950 0.143 0.000 2.603 238 F HA 0.702 5.228 4.527 -0.003 0.000 0.317 238 F C -0.893 174.989 175.800 0.137 0.000 1.066 238 F CA -1.168 56.896 58.000 0.106 0.000 0.941 238 F CB 1.896 40.962 39.000 0.109 0.000 1.291 238 F HN 0.678 nan 8.300 nan 0.000 0.472 239 R N 2.744 123.349 120.500 0.174 0.000 2.670 239 R HA 0.853 5.191 4.340 -0.003 0.000 0.289 239 R C -2.298 174.076 176.300 0.123 0.000 0.965 239 R CA -0.722 55.428 56.100 0.082 0.000 0.899 239 R CB 1.867 32.184 30.300 0.029 0.000 1.173 239 R HN 1.034 nan 8.270 nan 0.000 0.456 240 L N 1.812 123.117 121.223 0.136 0.000 2.466 240 L HA 0.450 4.788 4.340 -0.003 0.000 0.258 240 L C -1.112 175.748 176.870 -0.015 0.000 0.973 240 L CA -0.601 54.254 54.840 0.024 0.000 0.826 240 L CB 2.944 45.063 42.059 0.100 0.000 1.372 240 L HN 0.745 nan 8.230 nan 0.000 0.409 241 S N 0.809 116.357 115.700 -0.253 0.000 2.607 241 S HA 0.825 5.293 4.470 -0.003 0.000 0.303 241 S C -1.672 172.698 174.600 -0.384 0.000 1.086 241 S CA -0.407 57.704 58.200 -0.149 0.000 0.995 241 S CB 1.708 64.856 63.200 -0.086 0.000 1.084 241 S HN 0.351 nan 8.310 nan 0.000 0.507 242 Y N -0.145 120.185 120.300 0.050 0.000 2.588 242 Y HA 0.420 4.968 4.550 -0.003 0.000 0.343 242 Y C -0.963 174.860 175.900 -0.128 0.000 1.065 242 Y CA -1.177 56.962 58.100 0.064 0.000 1.038 242 Y CB 0.817 39.358 38.460 0.135 0.000 1.297 242 Y HN 0.690 nan 8.280 nan 0.000 0.467 243 Y N 5.417 125.686 120.300 -0.051 0.000 2.383 243 Y HA 0.387 4.935 4.550 -0.003 0.000 0.344 243 Y C -2.255 173.297 175.900 -0.580 0.000 0.986 243 Y CA -2.882 55.056 58.100 -0.270 0.000 1.175 243 Y CB 1.326 39.647 38.460 -0.232 0.000 1.152 243 Y HN 0.253 nan 8.280 nan 0.000 0.511 244 P HA -0.028 nan 4.420 nan 0.000 0.249 244 P C -0.876 176.105 177.300 -0.531 0.000 1.737 244 P CA 0.409 62.853 63.100 -1.093 0.000 1.128 244 P CB -0.290 31.009 31.700 -0.669 0.000 1.942 245 H N 1.510 120.517 119.070 -0.104 0.000 2.899 245 H HA 0.075 4.630 4.556 -0.002 0.000 0.303 245 H C 0.552 175.979 175.328 0.166 0.000 1.042 245 H CA 0.119 56.273 56.048 0.177 0.000 1.479 245 H CB 0.420 30.239 29.762 0.095 0.000 1.493 245 H HN 0.362 nan 8.280 nan 0.000 0.534 246 C N 4.547 124.004 119.300 0.262 0.000 2.405 246 C HA -0.021 4.438 4.460 -0.003 0.000 0.365 246 C C 2.269 177.365 174.990 0.175 0.000 1.233 246 C CA -0.748 58.395 59.018 0.208 0.000 2.230 246 C CB 0.546 28.378 27.740 0.153 0.000 2.443 246 C HN 0.818 nan 8.230 nan 0.000 0.556 247 L N 4.012 125.300 121.223 0.108 0.000 1.991 247 L HA -0.223 4.115 4.340 -0.003 0.000 0.221 247 L C 2.466 179.408 176.870 0.121 0.000 1.079 247 L CA 2.893 57.744 54.840 0.019 0.000 0.778 247 L CB -1.030 40.813 42.059 -0.360 0.000 0.893 247 L HN 0.836 nan 8.230 nan 0.000 0.437 248 A N -1.804 121.069 122.820 0.089 0.000 1.883 248 A HA -0.266 4.052 4.320 -0.003 0.000 0.217 248 A C 2.523 180.165 177.584 0.096 0.000 1.186 248 A CA 2.352 54.445 52.037 0.093 0.000 0.624 248 A CB -1.291 17.754 19.000 0.076 0.000 0.822 248 A HN 0.613 nan 8.150 nan 0.000 0.444 249 S N -1.599 114.173 115.700 0.120 0.000 2.353 249 S HA -0.188 4.281 4.470 -0.003 0.000 0.222 249 S C 1.816 176.467 174.600 0.084 0.000 1.035 249 S CA 1.733 60.004 58.200 0.118 0.000 1.025 249 S CB -0.552 62.760 63.200 0.185 0.000 0.902 249 S HN 0.526 nan 8.310 nan 0.000 0.440 250 F N 2.086 122.019 119.950 -0.027 0.000 2.126 250 F HA -0.077 4.448 4.527 -0.003 0.000 0.299 250 F C 2.550 178.230 175.800 -0.201 0.000 1.096 250 F CA 2.083 59.969 58.000 -0.190 0.000 1.255 250 F CB -0.973 37.793 39.000 -0.390 0.000 0.997 250 F HN 0.213 nan 8.300 nan 0.000 0.479 251 T N -0.316 114.301 114.554 0.105 0.000 2.665 251 T HA -0.304 4.045 4.350 -0.003 0.000 0.268 251 T C 1.877 176.460 174.700 -0.196 0.000 1.035 251 T CA 1.821 63.928 62.100 0.011 0.000 1.151 251 T CB -0.456 68.489 68.868 0.129 0.000 0.862 251 T HN 0.470 nan 8.240 nan 0.000 0.438 252 E N 0.186 120.314 120.200 -0.119 0.000 2.051 252 E HA -0.144 4.204 4.350 -0.003 0.000 0.192 252 E C 2.181 178.675 176.600 -0.177 0.000 0.991 252 E CA 0.880 57.209 56.400 -0.119 0.000 0.799 252 E CB -0.165 29.502 29.700 -0.054 0.000 0.748 252 E HN 0.220 nan 8.360 nan 0.000 0.449 253 L N 0.535 121.606 121.223 -0.253 0.000 2.042 253 L HA -0.147 4.192 4.340 -0.003 0.000 0.210 253 L C 2.503 179.120 176.870 -0.421 0.000 1.076 253 L CA 1.314 55.952 54.840 -0.337 0.000 0.749 253 L CB -0.748 41.040 42.059 -0.452 0.000 0.893 253 L HN 0.155 nan 8.230 nan 0.000 0.432 254 V N -1.220 118.353 119.914 -0.568 0.000 2.548 254 V HA -0.251 3.868 4.120 -0.003 0.000 0.249 254 V C 2.307 178.362 176.094 -0.065 0.000 1.055 254 V CA 1.435 63.487 62.300 -0.413 0.000 1.065 254 V CB -0.069 31.483 31.823 -0.451 0.000 0.681 254 V HN 0.609 nan 8.190 nan 0.000 0.462 255 Q N 0.070 119.810 119.800 -0.100 0.000 2.123 255 Q HA -0.223 4.116 4.340 -0.003 0.000 0.199 255 Q C 2.111 178.148 176.000 0.062 0.000 0.966 255 Q CA 1.790 57.604 55.803 0.019 0.000 0.845 255 Q CB -0.196 28.484 28.738 -0.097 0.000 0.907 255 Q HN 0.912 nan 8.270 nan 0.000 0.439 256 E N 0.667 120.845 120.200 -0.037 0.000 2.338 256 E HA -0.102 4.246 4.350 -0.003 0.000 0.197 256 E C 1.657 178.225 176.600 -0.054 0.000 1.007 256 E CA 0.828 57.207 56.400 -0.035 0.000 0.849 256 E CB -0.080 29.583 29.700 -0.061 0.000 0.774 256 E HN 0.252 nan 8.360 nan 0.000 0.506 257 A N 0.241 122.996 122.820 -0.107 0.000 2.168 257 A HA 0.020 4.339 4.320 -0.003 0.000 0.215 257 A C 1.211 178.589 177.584 -0.343 0.000 1.152 257 A CA 0.483 52.376 52.037 -0.241 0.000 0.716 257 A CB -0.438 18.348 19.000 -0.358 0.000 0.794 257 A HN 0.353 nan 8.150 nan 0.000 0.465 258 F N -1.145 118.766 119.950 -0.064 0.000 2.678 258 F HA 0.354 4.879 4.527 -0.003 0.000 0.305 258 F C 1.713 177.500 175.800 -0.023 0.000 1.090 258 F CA 0.363 58.344 58.000 -0.032 0.000 1.272 258 F CB 0.354 39.342 39.000 -0.020 0.000 1.060 258 F HN 0.300 nan 8.300 nan 0.000 0.576 259 G N 0.471 109.328 108.800 0.095 0.000 2.179 259 G HA2 -0.127 3.831 3.960 -0.003 0.000 0.257 259 G HA3 -0.127 3.831 3.960 -0.003 0.000 0.257 259 G C 1.380 176.324 174.900 0.073 0.000 1.010 259 G CA 0.276 45.411 45.100 0.059 0.000 0.736 259 G HN 1.141 nan 8.290 nan 0.000 0.513 260 G N -1.114 107.744 108.800 0.096 0.000 2.212 260 G HA2 -0.329 3.629 3.960 -0.003 0.000 0.266 260 G HA3 -0.329 3.629 3.960 -0.003 0.000 0.266 260 G C 0.612 175.550 174.900 0.063 0.000 0.978 260 G CA 0.906 46.044 45.100 0.063 0.000 0.632 260 G HN 1.191 nan 8.290 nan 0.000 0.537 261 R N 0.844 121.404 120.500 0.099 0.000 4.164 261 R HA 0.480 4.818 4.340 -0.003 0.000 0.195 261 R C 0.563 176.877 176.300 0.023 0.000 1.712 261 R CA 0.501 56.645 56.100 0.074 0.000 1.457 261 R CB -0.881 29.480 30.300 0.102 0.000 1.387 261 R HN 0.844 nan 8.270 nan 0.000 0.785 262 C N -2.356 116.916 119.300 -0.045 0.000 3.275 262 C HA 0.360 4.818 4.460 -0.003 0.000 0.340 262 C C -1.302 173.634 174.990 -0.090 0.000 1.366 262 C CA -1.306 57.608 59.018 -0.172 0.000 1.227 262 C CB 1.772 29.207 27.740 -0.508 0.000 1.512 262 C HN 0.506 nan 8.230 nan 0.000 0.461 263 Q N 0.586 120.330 119.800 -0.093 0.000 2.322 263 Q HA 0.568 4.907 4.340 -0.003 0.000 0.265 263 Q C -1.207 174.807 176.000 0.023 0.000 0.985 263 Q CA -0.029 55.768 55.803 -0.010 0.000 0.849 263 Q CB 1.661 30.399 28.738 -0.001 0.000 1.274 263 Q HN 0.820 nan 8.270 nan 0.000 0.449 264 H N 0.663 119.720 119.070 -0.022 0.000 2.495 264 H HA 0.626 5.180 4.556 -0.003 0.000 0.348 264 H C -1.291 174.070 175.328 0.055 0.000 1.113 264 H CA -0.328 55.731 56.048 0.018 0.000 1.195 264 H CB 1.281 31.068 29.762 0.042 0.000 1.521 264 H HN 0.628 nan 8.280 nan 0.000 0.509 265 S N 3.501 118.838 115.700 -0.605 0.000 2.556 265 S HA 0.540 5.008 4.470 -0.003 0.000 0.271 265 S C -1.521 172.782 174.600 -0.494 0.000 1.135 265 S CA -0.788 57.167 58.200 -0.408 0.000 0.858 265 S CB 1.378 64.511 63.200 -0.111 0.000 1.114 265 S HN 0.693 nan 8.310 nan 0.000 0.468 266 V N 2.749 122.512 119.914 -0.251 0.000 2.588 266 V HA 0.679 4.797 4.120 -0.003 0.000 0.304 266 V C -1.406 174.699 176.094 0.018 0.000 1.042 266 V CA -0.936 61.247 62.300 -0.196 0.000 0.877 266 V CB 1.297 32.966 31.823 -0.257 0.000 0.996 266 V HN 0.968 nan 8.190 nan 0.000 0.425 267 L N 5.653 126.882 121.223 0.009 0.000 2.344 267 L HA 0.836 5.174 4.340 -0.003 0.000 0.272 267 L C 0.648 177.514 176.870 -0.007 0.000 1.035 267 L CA -0.519 54.349 54.840 0.046 0.000 0.807 267 L CB 1.796 43.859 42.059 0.006 0.000 1.237 267 L HN 0.772 nan 8.230 nan 0.000 0.442 268 G N -0.389 108.405 108.800 -0.010 0.000 2.660 268 G HA2 0.429 4.387 3.960 -0.003 0.000 0.305 268 G HA3 0.429 4.387 3.960 -0.003 0.000 0.305 268 G C -0.679 174.104 174.900 -0.195 0.000 1.329 268 G CA -0.236 44.754 45.100 -0.184 0.000 1.000 268 G HN 0.714 nan 8.290 nan 0.000 0.514 269 D N 2.308 122.464 120.400 -0.407 0.000 2.689 269 D HA -0.215 4.423 4.640 -0.003 0.000 0.237 269 D C 0.625 176.512 176.300 -0.689 0.000 1.148 269 D CA 1.347 54.960 54.000 -0.644 0.000 0.656 269 D CB -1.148 39.479 40.800 -0.287 0.000 1.050 269 D HN 0.648 nan 8.370 nan 0.000 0.426 270 F N -3.424 116.267 119.950 -0.431 0.000 2.656 270 F HA -0.310 4.216 4.527 -0.002 0.000 0.381 270 F C 1.004 176.655 175.800 -0.250 0.000 0.603 270 F CA 0.942 58.576 58.000 -0.611 0.000 1.335 270 F CB -1.874 36.775 39.000 -0.585 0.000 1.836 270 F HN 0.165 nan 8.300 nan 0.000 0.290 271 K N 1.650 122.050 120.400 0.000 0.000 2.267 271 K HA 0.495 4.813 4.320 -0.003 0.000 0.246 271 K C -2.417 174.230 176.600 0.078 0.000 0.954 271 K CA -2.021 54.293 56.287 0.045 0.000 0.824 271 K CB 1.662 34.162 32.500 0.001 0.000 1.167 271 K HN -0.267 nan 8.250 nan 0.000 0.431 272 P HA -0.144 nan 4.420 nan 0.000 0.265 272 P C -1.326 176.067 177.300 0.155 0.000 1.187 272 P CA 0.290 63.453 63.100 0.106 0.000 0.766 272 P CB 0.318 32.059 31.700 0.068 0.000 0.820 273 Y N 3.747 124.077 120.300 0.050 0.000 2.331 273 Y HA 0.382 4.930 4.550 -0.003 0.000 0.338 273 Y C 0.004 175.949 175.900 0.076 0.000 0.992 273 Y CA -0.831 57.320 58.100 0.086 0.000 1.121 273 Y CB 1.208 39.758 38.460 0.151 0.000 1.184 273 Y HN 0.196 nan 8.280 nan 0.000 0.469 274 R N 7.300 127.425 120.500 -0.625 0.000 2.393 274 R HA 0.358 4.696 4.340 -0.003 0.000 0.315 274 R C -2.928 172.908 176.300 -0.774 0.000 0.952 274 R CA -2.442 53.367 56.100 -0.485 0.000 0.842 274 R CB 1.195 31.357 30.300 -0.229 0.000 1.163 274 R HN 0.561 nan 8.270 nan 0.000 0.450 275 P HA 0.020 nan 4.420 nan 0.000 0.262 275 P C 0.771 177.979 177.300 -0.153 0.000 1.182 275 P CA 0.922 63.864 63.100 -0.263 0.000 0.761 275 P CB 0.555 32.236 31.700 -0.030 0.000 0.795 276 G N 1.568 110.334 108.800 -0.057 0.000 2.175 276 G HA2 -0.222 3.736 3.960 -0.003 0.000 0.244 276 G HA3 -0.222 3.736 3.960 -0.003 0.000 0.244 276 G C 0.191 175.079 174.900 -0.020 0.000 0.982 276 G CA 0.132 45.225 45.100 -0.011 0.000 0.641 276 G HN 0.729 nan 8.290 nan 0.000 0.527 277 Q N -0.252 119.507 119.800 -0.069 0.000 2.454 277 Q HA 0.699 5.037 4.340 -0.003 0.000 0.247 277 Q C 1.612 177.644 176.000 0.052 0.000 1.028 277 Q CA 0.368 56.159 55.803 -0.020 0.000 0.910 277 Q CB 1.018 29.729 28.738 -0.045 0.000 1.276 277 Q HN 0.811 nan 8.270 nan 0.000 0.489 278 A N 1.844 124.704 122.820 0.067 0.000 1.897 278 A HA -0.127 4.191 4.320 -0.003 0.000 0.215 278 A C 0.526 178.175 177.584 0.109 0.000 1.181 278 A CA 0.573 52.657 52.037 0.078 0.000 0.620 278 A CB -0.560 18.481 19.000 0.068 0.000 0.821 278 A HN 0.773 nan 8.150 nan 0.000 0.443 279 Y N 1.027 121.332 120.300 0.008 0.000 2.569 279 Y HA 0.330 4.879 4.550 -0.002 0.000 0.332 279 Y C -0.255 175.646 175.900 0.001 0.000 1.120 279 Y CA -0.416 57.678 58.100 -0.011 0.000 1.416 279 Y CB 0.396 38.843 38.460 -0.021 0.000 1.210 279 Y HN -0.029 nan 8.280 nan 0.000 0.528 280 V N 10.179 129.734 119.914 -0.598 0.000 2.334 280 V HA 0.265 4.383 4.120 -0.003 0.000 0.267 280 V C -2.013 173.469 176.094 -1.020 0.000 1.040 280 V CA -1.890 60.071 62.300 -0.564 0.000 0.866 280 V CB 0.610 32.209 31.823 -0.374 0.000 1.019 280 V HN 0.725 nan 8.190 nan 0.000 0.468 281 P HA 0.206 nan 4.420 nan 0.000 0.271 281 P C 0.509 177.298 177.300 -0.851 0.000 1.218 281 P CA -0.268 62.296 63.100 -0.894 0.000 0.780 281 P CB 0.803 31.944 31.700 -0.932 0.000 0.901 282 C N 0.589 119.501 119.300 -0.647 0.000 2.485 282 C HA 0.086 4.545 4.460 -0.003 0.000 0.278 282 C C 0.552 175.015 174.990 -0.878 0.000 1.356 282 C CA 0.747 59.369 59.018 -0.661 0.000 1.747 282 C CB -1.135 26.369 27.740 -0.393 0.000 2.001 282 C HN 0.499 nan 8.230 nan 0.000 0.501 283 Y N -1.815 118.085 120.300 -0.667 0.000 2.545 283 Y HA 0.581 5.130 4.550 -0.002 0.000 0.348 283 Y C -0.516 174.923 175.900 -0.768 0.000 1.002 283 Y CA -1.127 56.601 58.100 -0.619 0.000 1.039 283 Y CB 0.790 39.007 38.460 -0.406 0.000 1.271 283 Y HN -0.092 nan 8.280 nan 0.000 0.467 284 F N 2.882 122.593 119.950 -0.400 0.000 2.467 284 F HA 0.587 5.112 4.527 -0.003 0.000 0.336 284 F C -0.849 174.747 175.800 -0.340 0.000 1.123 284 F CA -0.932 56.776 58.000 -0.487 0.000 0.964 284 F CB 1.114 39.704 39.000 -0.682 0.000 1.136 284 F HN 0.149 nan 8.300 nan 0.000 0.447 285 I N 3.718 124.261 120.570 -0.045 0.000 2.362 285 I HA 0.296 4.465 4.170 -0.003 0.000 0.289 285 I C -0.590 175.554 176.117 0.045 0.000 0.994 285 I CA -0.590 60.751 61.300 0.068 0.000 1.158 285 I CB 0.994 39.014 38.000 0.032 0.000 1.315 285 I HN 0.427 nan 8.210 nan 0.000 0.451 286 H N 4.535 123.714 119.070 0.181 0.000 2.489 286 H HA 0.628 5.182 4.556 -0.003 0.000 0.322 286 H C -0.528 174.899 175.328 0.166 0.000 1.091 286 H CA -0.490 55.678 56.048 0.201 0.000 1.291 286 H CB 1.746 31.749 29.762 0.401 0.000 1.436 286 H HN 0.334 nan 8.280 nan 0.000 0.480 287 V N 6.021 126.017 119.914 0.137 0.000 2.443 287 V HA 0.422 4.540 4.120 -0.003 0.000 0.293 287 V C -1.541 174.571 176.094 0.030 0.000 1.021 287 V CA -0.657 61.703 62.300 0.100 0.000 0.848 287 V CB 0.638 32.517 31.823 0.094 0.000 0.998 287 V HN 0.515 nan 8.190 nan 0.000 0.424 288 L N 7.007 128.242 121.223 0.020 0.000 2.362 288 L HA 0.648 4.986 4.340 -0.003 0.000 0.275 288 L C -0.076 176.686 176.870 -0.179 0.000 0.998 288 L CA -0.345 54.437 54.840 -0.096 0.000 0.820 288 L CB 1.820 43.750 42.059 -0.215 0.000 1.270 288 L HN 0.383 nan 8.230 nan 0.000 0.415 289 K N 3.348 123.646 120.400 -0.170 0.000 2.281 289 K HA 0.258 4.576 4.320 -0.003 0.000 0.272 289 K C -0.531 175.955 176.600 -0.190 0.000 1.048 289 K CA -0.580 55.637 56.287 -0.116 0.000 0.898 289 K CB 1.112 33.605 32.500 -0.011 0.000 1.128 289 K HN 0.544 nan 8.250 nan 0.000 0.460 290 K N 2.434 122.730 120.400 -0.173 0.000 2.412 290 K HA 0.021 4.340 4.320 -0.003 0.000 0.281 290 K C 0.683 177.268 176.600 -0.024 0.000 1.027 290 K CA 0.168 56.377 56.287 -0.130 0.000 0.989 290 K CB 0.749 33.305 32.500 0.094 0.000 0.935 290 K HN 0.453 nan 8.250 nan 0.000 0.475 291 T N 1.976 116.524 114.554 -0.010 0.000 2.588 291 T HA 0.056 4.405 4.350 -0.003 0.000 0.261 291 T C 0.741 175.465 174.700 0.041 0.000 1.069 291 T CA 1.098 63.209 62.100 0.018 0.000 1.172 291 T CB -0.189 68.694 68.868 0.025 0.000 0.863 291 T HN 0.888 nan 8.240 nan 0.000 0.408 292 G N 0.000 108.837 108.800 0.061 0.000 5.446 292 G HA2 0.000 3.958 3.960 -0.003 0.000 0.244 292 G HA3 0.000 3.958 3.960 -0.003 0.000 0.244 292 G CA 0.000 45.138 45.100 0.063 0.000 0.502 292 G HN 0.000 nan 8.290 nan 0.000 0.925