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 2gqw_1_A DATA FIRST_RESID 6 DATA SEQUENCE LKAPVVVLGA GLASVSFVAE LRQAGYQGLI TVVGDEAERP YDRPPLSKDF DATA SEQUENCE MAHGDAEKIR LDCKRAPEVE WLLGVTAQSF DPQAHTVALS DGRTLPYGTL DATA SEQUENCE VLATGAAPRA LPTLQGATMP VHTLRTLEDA RRIQAGLRPQ SRLLIVGGGV DATA SEQUENCE IGLELAATAR TAGVHVSLVE TQPRLMSRAA PATLADFVAR YHAAQGVDLR DATA SEQUENCE FERSVTGSVD GVVLLDDGTR IAADMVVVGI GVLANDALAR AAGLACDDGI DATA SEQUENCE FVDAYGRTTC PDVYALGDVT RQRNPLSGRF ERIETWSNAQ NQGIAVARHL DATA SEQUENCE VDPTAPGYAE LPWYWSDQGA LRIQVAGLAS GDEEIVRGEV SLDAPKFTLI DATA SEQUENCE ELQKGRIVGA TCVNNARDFA PLRRLLAVGA KPDRAALADP ATDLRKLAAA DATA SEQUENCE V 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 6 L HA 0.000 nan 4.340 nan 0.000 0.249 6 L C 0.000 176.847 176.870 -0.038 0.000 1.165 6 L CA 0.000 54.780 54.840 -0.101 0.000 0.813 6 L CB 0.000 41.944 42.059 -0.191 0.000 0.961 7 K N 3.227 123.628 120.400 0.001 0.000 2.206 7 K HA 0.892 5.211 4.320 -0.001 0.000 0.264 7 K C -0.042 176.595 176.600 0.062 0.000 0.967 7 K CA -0.314 55.998 56.287 0.041 0.000 0.844 7 K CB 1.930 34.462 32.500 0.054 0.000 1.099 7 K HN 0.609 nan 8.250 nan 0.000 0.441 8 A N 4.027 126.915 122.820 0.113 0.000 2.322 8 A HA 0.463 4.782 4.320 -0.001 0.000 0.269 8 A C -2.157 175.492 177.584 0.107 0.000 1.094 8 A CA -1.194 50.944 52.037 0.169 0.000 0.807 8 A CB -0.224 18.907 19.000 0.218 0.000 1.047 8 A HN 0.479 nan 8.150 nan 0.000 0.487 9 P HA 0.429 nan 4.420 nan 0.000 0.279 9 P C -0.894 176.492 177.300 0.143 0.000 1.252 9 P CA -0.431 62.758 63.100 0.149 0.000 0.811 9 P CB 0.959 32.722 31.700 0.105 0.000 1.035 10 V N 1.896 121.885 119.914 0.124 0.000 2.439 10 V HA 0.263 4.383 4.120 -0.001 0.000 0.282 10 V C 0.242 176.354 176.094 0.030 0.000 1.039 10 V CA -0.422 61.904 62.300 0.044 0.000 0.913 10 V CB 1.534 33.336 31.823 -0.035 0.000 0.983 10 V HN 0.249 nan 8.190 nan 0.000 0.460 11 V N 5.698 125.602 119.914 -0.018 0.000 2.540 11 V HA 0.520 4.639 4.120 -0.001 0.000 0.302 11 V C -0.357 175.643 176.094 -0.156 0.000 1.035 11 V CA -0.573 61.683 62.300 -0.072 0.000 0.873 11 V CB 2.123 33.913 31.823 -0.054 0.000 0.992 11 V HN 0.599 nan 8.190 nan 0.000 0.428 12 V N 5.974 125.804 119.914 -0.140 0.000 2.448 12 V HA 0.496 4.615 4.120 -0.001 0.000 0.295 12 V C -0.286 175.722 176.094 -0.143 0.000 1.025 12 V CA -0.597 61.598 62.300 -0.175 0.000 0.859 12 V CB 1.794 33.542 31.823 -0.125 0.000 0.988 12 V HN 0.635 nan 8.190 nan 0.000 0.431 13 L N 4.687 125.809 121.223 -0.168 0.000 2.265 13 L HA 0.852 5.192 4.340 -0.001 0.000 0.289 13 L C 0.677 177.496 176.870 -0.084 0.000 1.033 13 L CA -0.145 54.630 54.840 -0.109 0.000 0.814 13 L CB 1.039 43.027 42.059 -0.119 0.000 1.203 13 L HN 0.968 nan 8.230 nan 0.000 0.423 14 G N 2.626 111.405 108.800 -0.036 0.000 2.770 14 G HA2 0.153 4.112 3.960 -0.001 0.000 0.686 14 G HA3 0.153 4.112 3.960 -0.001 0.000 0.686 14 G C -0.449 174.466 174.900 0.026 0.000 1.180 14 G CA -0.303 44.784 45.100 -0.021 0.000 0.767 14 G HN 0.897 nan 8.290 nan 0.000 0.646 15 A N 1.146 123.996 122.820 0.051 0.000 2.705 15 A HA 0.810 5.129 4.320 -0.001 0.000 0.294 15 A C 1.189 178.779 177.584 0.010 0.000 1.039 15 A CA 1.115 53.234 52.037 0.138 0.000 1.005 15 A CB -0.098 19.039 19.000 0.230 0.000 1.192 15 A HN 2.183 nan 8.150 nan 0.000 0.513 16 G N -1.043 107.724 108.800 -0.055 0.000 2.510 16 G HA2 0.399 4.359 3.960 -0.001 0.000 0.280 16 G HA3 0.399 4.359 3.960 -0.001 0.000 0.280 16 G C 0.910 175.754 174.900 -0.094 0.000 1.386 16 G CA -0.039 44.979 45.100 -0.137 0.000 1.047 16 G HN 0.476 nan 8.290 nan 0.000 0.527 17 L N 0.269 121.414 121.223 -0.131 0.000 2.042 17 L HA -0.045 4.295 4.340 -0.001 0.000 0.210 17 L C 2.975 179.769 176.870 -0.127 0.000 1.076 17 L CA 2.850 57.607 54.840 -0.138 0.000 0.749 17 L CB -0.782 41.145 42.059 -0.220 0.000 0.893 17 L HN 0.529 nan 8.230 nan 0.000 0.432 18 A N -1.539 121.204 122.820 -0.129 0.000 1.877 18 A HA -0.235 4.084 4.320 -0.001 0.000 0.216 18 A C 2.523 180.091 177.584 -0.028 0.000 1.186 18 A CA 2.014 53.983 52.037 -0.113 0.000 0.620 18 A CB -1.244 17.672 19.000 -0.140 0.000 0.822 18 A HN 0.560 nan 8.150 nan 0.000 0.443 19 S N -0.587 115.107 115.700 -0.010 0.000 2.353 19 S HA -0.148 4.321 4.470 -0.001 0.000 0.222 19 S C 1.934 176.649 174.600 0.191 0.000 1.035 19 S CA 1.835 60.079 58.200 0.073 0.000 1.025 19 S CB -0.601 62.643 63.200 0.073 0.000 0.902 19 S HN 0.309 nan 8.310 nan 0.000 0.440 20 V N 1.571 121.599 119.914 0.190 0.000 2.332 20 V HA -0.134 3.986 4.120 -0.001 0.000 0.248 20 V C 2.714 178.897 176.094 0.148 0.000 1.055 20 V CA 2.216 64.667 62.300 0.253 0.000 1.038 20 V CB -1.086 30.820 31.823 0.139 0.000 0.651 20 V HN 0.511 nan 8.190 nan 0.000 0.450 21 S N -0.308 115.430 115.700 0.063 0.000 2.368 21 S HA -0.187 4.283 4.470 -0.001 0.000 0.225 21 S C 1.762 176.392 174.600 0.050 0.000 1.030 21 S CA 1.854 60.065 58.200 0.019 0.000 0.999 21 S CB -0.472 62.692 63.200 -0.060 0.000 0.844 21 S HN 0.615 nan 8.310 nan 0.000 0.459 22 F N 3.019 122.930 119.950 -0.064 0.000 2.075 22 F HA -0.163 4.363 4.527 -0.001 0.000 0.297 22 F C 2.281 178.043 175.800 -0.062 0.000 1.113 22 F CA 1.575 59.527 58.000 -0.080 0.000 1.218 22 F CB -0.550 38.385 39.000 -0.107 0.000 0.984 22 F HN 0.093 nan 8.300 nan 0.000 0.472 23 V N -0.646 119.263 119.914 -0.009 0.000 2.548 23 V HA -0.037 4.082 4.120 -0.001 0.000 0.249 23 V C 2.394 178.426 176.094 -0.104 0.000 1.055 23 V CA 1.415 63.635 62.300 -0.133 0.000 1.065 23 V CB -1.914 29.884 31.823 -0.042 0.000 0.681 23 V HN 0.382 nan 8.190 nan 0.000 0.462 24 A N 0.711 123.523 122.820 -0.014 0.000 1.902 24 A HA -0.211 4.108 4.320 -0.001 0.000 0.217 24 A C 2.204 179.751 177.584 -0.061 0.000 1.181 24 A CA 2.064 54.100 52.037 -0.001 0.000 0.623 24 A CB -0.638 18.386 19.000 0.040 0.000 0.818 24 A HN 0.659 nan 8.150 nan 0.000 0.443 25 E N 0.200 120.330 120.200 -0.117 0.000 2.107 25 E HA -0.077 4.272 4.350 -0.001 0.000 0.191 25 E C 1.811 178.296 176.600 -0.191 0.000 0.982 25 E CA 0.884 57.203 56.400 -0.135 0.000 0.809 25 E CB -0.417 29.205 29.700 -0.130 0.000 0.756 25 E HN 0.585 nan 8.360 nan 0.000 0.459 26 L N 0.144 121.170 121.223 -0.329 0.000 2.013 26 L HA -0.226 4.113 4.340 -0.001 0.000 0.212 26 L C 2.655 179.484 176.870 -0.070 0.000 1.073 26 L CA 1.450 56.122 54.840 -0.280 0.000 0.753 26 L CB -0.457 41.362 42.059 -0.399 0.000 0.890 26 L HN 0.148 nan 8.230 nan 0.000 0.432 27 R N -0.269 120.200 120.500 -0.052 0.000 2.075 27 R HA -0.113 4.227 4.340 -0.001 0.000 0.232 27 R C 2.202 178.489 176.300 -0.022 0.000 1.126 27 R CA 0.986 57.076 56.100 -0.016 0.000 0.963 27 R CB -0.608 29.685 30.300 -0.012 0.000 0.858 27 R HN 0.446 nan 8.270 nan 0.000 0.435 28 Q N 0.189 119.971 119.800 -0.030 0.000 2.170 28 Q HA 0.006 4.345 4.340 -0.001 0.000 0.203 28 Q C 1.883 177.870 176.000 -0.022 0.000 0.976 28 Q CA 1.510 57.300 55.803 -0.021 0.000 0.858 28 Q CB -0.283 28.445 28.738 -0.016 0.000 0.907 28 Q HN 0.298 nan 8.270 nan 0.000 0.433 29 A N -0.540 122.259 122.820 -0.034 0.000 2.167 29 A HA 0.287 4.606 4.320 -0.001 0.000 0.214 29 A C 1.513 179.088 177.584 -0.016 0.000 1.151 29 A CA 1.309 53.327 52.037 -0.030 0.000 0.735 29 A CB -0.056 18.912 19.000 -0.054 0.000 0.802 29 A HN 0.440 nan 8.150 nan 0.000 0.467 30 G N -2.817 105.980 108.800 -0.006 0.000 2.192 30 G HA2 -0.230 3.730 3.960 -0.001 0.000 0.193 30 G HA3 -0.230 3.730 3.960 -0.001 0.000 0.193 30 G C 0.019 174.926 174.900 0.013 0.000 0.999 30 G CA 0.019 45.116 45.100 -0.005 0.000 0.659 30 G HN 0.784 nan 8.290 nan 0.000 0.503 31 Y N 2.128 122.373 120.300 -0.092 0.000 2.465 31 Y HA 0.528 5.077 4.550 -0.001 0.000 0.331 31 Y C 1.076 176.928 175.900 -0.080 0.000 1.102 31 Y CA 0.308 58.352 58.100 -0.093 0.000 1.358 31 Y CB 0.929 39.313 38.460 -0.125 0.000 1.213 31 Y HN 0.117 nan 8.280 nan 0.000 0.525 32 Q N 4.677 124.066 119.800 -0.684 0.000 2.189 32 Q HA 0.238 4.578 4.340 -0.001 0.000 0.223 32 Q C 0.620 176.207 176.000 -0.689 0.000 0.828 32 Q CA 0.316 55.798 55.803 -0.536 0.000 0.967 32 Q CB 1.171 29.745 28.738 -0.273 0.000 1.139 32 Q HN 0.962 nan 8.270 nan 0.000 0.497 33 G N 0.439 108.433 108.800 -1.345 0.000 2.588 33 G HA2 0.415 4.374 3.960 -0.001 0.000 0.278 33 G HA3 0.415 4.374 3.960 -0.001 0.000 0.278 33 G C -0.072 174.608 174.900 -0.366 0.000 1.307 33 G CA -0.614 44.050 45.100 -0.727 0.000 1.016 33 G HN 0.133 nan 8.290 nan 0.000 0.503 34 L N -0.308 120.885 121.223 -0.051 0.000 2.456 34 L HA 0.278 4.617 4.340 -0.001 0.000 0.272 34 L C -0.079 176.869 176.870 0.130 0.000 1.189 34 L CA 0.420 55.272 54.840 0.019 0.000 0.846 34 L CB 0.458 42.533 42.059 0.027 0.000 1.111 34 L HN 0.225 nan 8.230 nan 0.000 0.475 35 I N 2.032 122.627 120.570 0.041 0.000 2.499 35 I HA 0.318 4.488 4.170 -0.001 0.000 0.288 35 I C -0.641 175.408 176.117 -0.114 0.000 1.048 35 I CA -0.266 61.034 61.300 -0.001 0.000 1.062 35 I CB 2.172 40.155 38.000 -0.029 0.000 1.238 35 I HN 0.501 nan 8.210 nan 0.000 0.426 36 T N 5.218 119.705 114.554 -0.112 0.000 2.848 36 T HA 0.532 4.882 4.350 -0.001 0.000 0.285 36 T C -0.465 174.126 174.700 -0.181 0.000 0.995 36 T CA -0.525 61.484 62.100 -0.151 0.000 0.970 36 T CB 2.224 71.054 68.868 -0.063 0.000 0.976 36 T HN 0.151 nan 8.240 nan 0.000 0.441 37 V N 3.529 123.286 119.914 -0.262 0.000 2.459 37 V HA 0.497 4.617 4.120 -0.001 0.000 0.295 37 V C -0.243 175.833 176.094 -0.030 0.000 1.029 37 V CA -0.784 61.404 62.300 -0.187 0.000 0.874 37 V CB 1.860 33.472 31.823 -0.351 0.000 0.985 37 V HN 0.727 nan 8.190 nan 0.000 0.438 38 V N 3.818 123.731 119.914 -0.002 0.000 2.347 38 V HA 0.768 4.887 4.120 -0.001 0.000 0.280 38 V C 0.635 176.763 176.094 0.057 0.000 1.021 38 V CA -0.226 62.095 62.300 0.034 0.000 0.847 38 V CB 1.451 33.280 31.823 0.011 0.000 0.990 38 V HN 0.980 nan 8.190 nan 0.000 0.444 39 G N 2.636 111.490 108.800 0.091 0.000 2.626 39 G HA2 0.484 4.443 3.960 -0.001 0.000 0.304 39 G HA3 0.484 4.443 3.960 -0.001 0.000 0.304 39 G C 0.334 175.272 174.900 0.064 0.000 1.385 39 G CA -0.359 44.790 45.100 0.082 0.000 0.957 39 G HN 0.720 nan 8.290 nan 0.000 0.504 40 D N 1.392 121.819 120.400 0.044 0.000 2.224 40 D HA -0.101 4.539 4.640 -0.001 0.000 0.205 40 D C 0.524 176.852 176.300 0.047 0.000 0.965 40 D CA 0.667 54.691 54.000 0.040 0.000 0.852 40 D CB 0.108 40.925 40.800 0.029 0.000 0.947 40 D HN 0.512 nan 8.370 nan 0.000 0.494 41 E N 0.177 120.410 120.200 0.056 0.000 2.316 41 E HA 0.402 4.751 4.350 -0.001 0.000 0.275 41 E C -0.392 176.250 176.600 0.071 0.000 1.029 41 E CA -0.346 56.098 56.400 0.073 0.000 0.871 41 E CB 1.198 30.970 29.700 0.119 0.000 1.022 41 E HN 0.224 nan 8.360 nan 0.000 0.418 42 A N 4.860 127.713 122.820 0.055 0.000 3.063 42 A HA 0.079 4.399 4.320 -0.001 0.000 0.263 42 A C -0.302 177.306 177.584 0.039 0.000 1.736 42 A CA -0.029 52.035 52.037 0.045 0.000 1.408 42 A CB -0.066 18.953 19.000 0.031 0.000 1.108 42 A HN 0.421 nan 8.150 nan 0.000 0.621 43 E N 0.357 120.594 120.200 0.062 0.000 2.308 43 E HA 0.236 4.585 4.350 -0.001 0.000 0.275 43 E C -0.733 175.903 176.600 0.060 0.000 0.890 43 E CA -0.969 55.468 56.400 0.062 0.000 0.754 43 E CB 1.686 31.462 29.700 0.127 0.000 1.207 43 E HN 0.530 nan 8.360 nan 0.000 0.426 44 R N 2.711 123.217 120.500 0.011 0.000 2.504 44 R HA 0.065 4.404 4.340 -0.001 0.000 0.291 44 R C -2.331 173.977 176.300 0.012 0.000 0.974 44 R CA -0.544 55.529 56.100 -0.044 0.000 1.077 44 R CB -0.203 30.064 30.300 -0.055 0.000 0.926 44 R HN 0.128 nan 8.270 nan 0.000 0.407 45 P HA -0.033 nan 4.420 nan 0.000 0.263 45 P C -1.540 175.759 177.300 -0.002 0.000 1.175 45 P CA 0.691 63.719 63.100 -0.120 0.000 0.761 45 P CB 0.093 31.608 31.700 -0.308 0.000 0.794 46 Y N -0.373 119.881 120.300 -0.076 0.000 2.588 46 Y HA 0.677 5.226 4.550 -0.001 0.000 0.343 46 Y C -0.862 175.036 175.900 -0.003 0.000 1.065 46 Y CA -1.561 56.509 58.100 -0.049 0.000 1.038 46 Y CB 1.043 39.452 38.460 -0.085 0.000 1.297 46 Y HN 0.090 nan 8.280 nan 0.000 0.467 47 D N 0.994 121.500 120.400 0.176 0.000 2.210 47 D HA 0.365 5.005 4.640 -0.001 0.000 0.249 47 D C 0.465 176.900 176.300 0.227 0.000 1.062 47 D CA -0.420 53.688 54.000 0.178 0.000 0.891 47 D CB 1.569 42.542 40.800 0.287 0.000 1.186 47 D HN 0.754 nan 8.370 nan 0.000 0.432 48 R N 2.544 123.144 120.500 0.167 0.000 2.140 48 R HA 0.038 4.378 4.340 -0.001 0.000 0.213 48 R C -0.967 175.408 176.300 0.127 0.000 1.059 48 R CA 0.452 56.641 56.100 0.149 0.000 1.000 48 R CB -0.682 29.662 30.300 0.073 0.000 0.910 48 R HN 0.366 nan 8.270 nan 0.000 0.455 49 P HA -0.102 nan 4.420 nan 0.000 0.216 49 P C -1.606 175.763 177.300 0.115 0.000 1.150 49 P CA 1.466 64.613 63.100 0.079 0.000 0.843 49 P CB -0.805 30.973 31.700 0.129 0.000 0.787 50 P HA -0.101 nan 4.420 nan 0.000 0.221 50 P C 1.251 178.663 177.300 0.185 0.000 1.145 50 P CA 1.034 64.237 63.100 0.171 0.000 0.795 50 P CB -0.562 31.249 31.700 0.185 0.000 0.775 51 L N -0.828 120.474 121.223 0.131 0.000 2.191 51 L HA -0.114 4.225 4.340 -0.001 0.000 0.212 51 L C 1.783 178.746 176.870 0.155 0.000 1.103 51 L CA 1.752 56.676 54.840 0.140 0.000 0.769 51 L CB -0.875 41.213 42.059 0.048 0.000 0.908 51 L HN 0.109 nan 8.230 nan 0.000 0.438 52 S N -2.370 113.388 115.700 0.097 0.000 2.568 52 S HA 0.244 4.714 4.470 -0.001 0.000 0.232 52 S C 0.631 175.269 174.600 0.063 0.000 0.975 52 S CA -0.580 57.660 58.200 0.066 0.000 0.949 52 S CB 0.383 63.600 63.200 0.029 0.000 0.829 52 S HN 0.329 nan 8.310 nan 0.000 0.479 53 K N 0.934 121.387 120.400 0.089 0.000 3.224 53 K HA 0.367 4.687 4.320 -0.001 0.000 0.302 53 K C 0.093 176.727 176.600 0.056 0.000 0.977 53 K CA -0.394 55.939 56.287 0.076 0.000 1.343 53 K CB -0.201 32.363 32.500 0.108 0.000 3.431 53 K HN -0.164 nan 8.250 nan 0.000 1.096 54 D N 0.879 121.333 120.400 0.091 0.000 2.219 54 D HA -0.103 4.537 4.640 -0.001 0.000 0.205 54 D C 1.515 177.854 176.300 0.065 0.000 0.970 54 D CA 0.966 55.010 54.000 0.073 0.000 0.851 54 D CB -0.054 40.856 40.800 0.184 0.000 0.943 54 D HN 0.177 nan 8.370 nan 0.000 0.488 55 F N 0.827 120.791 119.950 0.023 0.000 2.113 55 F HA -0.175 4.352 4.527 -0.001 0.000 0.297 55 F C 2.204 177.987 175.800 -0.029 0.000 1.103 55 F CA 1.009 59.017 58.000 0.014 0.000 1.248 55 F CB -0.185 38.824 39.000 0.014 0.000 0.999 55 F HN -0.168 nan 8.300 nan 0.000 0.475 56 M N 0.903 120.525 119.600 0.035 0.000 2.149 56 M HA -0.097 4.382 4.480 -0.001 0.000 0.261 56 M C 2.041 178.207 176.300 -0.223 0.000 1.064 56 M CA 2.009 57.270 55.300 -0.064 0.000 1.102 56 M CB -0.941 31.677 32.600 0.031 0.000 1.369 56 M HN 0.208 nan 8.290 nan 0.000 0.408 57 A N -2.048 120.601 122.820 -0.286 0.000 1.975 57 A HA -0.055 4.264 4.320 -0.001 0.000 0.215 57 A C 1.563 178.825 177.584 -0.537 0.000 1.170 57 A CA 1.586 53.345 52.037 -0.462 0.000 0.656 57 A CB -0.722 17.889 19.000 -0.649 0.000 0.821 57 A HN 0.763 nan 8.150 nan 0.000 0.449 58 H N -3.173 115.778 119.070 -0.198 0.000 3.255 58 H HA 0.361 4.916 4.556 -0.001 0.000 0.256 58 H C 1.359 176.513 175.328 -0.289 0.000 1.049 58 H CA 0.208 56.145 56.048 -0.185 0.000 1.202 58 H CB 0.820 30.525 29.762 -0.095 0.000 1.497 58 H HN 0.587 nan 8.280 nan 0.000 0.503 59 G N 1.482 109.975 108.800 -0.512 0.000 2.148 59 G HA2 -0.280 3.680 3.960 -0.001 0.000 0.254 59 G HA3 -0.280 3.680 3.960 -0.001 0.000 0.254 59 G C -0.334 174.385 174.900 -0.301 0.000 0.981 59 G CA 0.463 45.074 45.100 -0.815 0.000 0.670 59 G HN 0.421 nan 8.290 nan 0.000 0.528 60 D N 0.410 120.803 120.400 -0.011 0.000 2.443 60 D HA 0.668 5.308 4.640 -0.001 0.000 0.221 60 D C 1.357 177.849 176.300 0.319 0.000 1.097 60 D CA 0.294 54.385 54.000 0.152 0.000 0.865 60 D CB 0.625 41.476 40.800 0.086 0.000 1.034 60 D HN 0.336 nan 8.370 nan 0.000 0.511 61 A N 4.062 127.082 122.820 0.334 0.000 2.121 61 A HA -0.096 4.223 4.320 -0.001 0.000 0.218 61 A C 1.534 179.157 177.584 0.065 0.000 1.154 61 A CA 0.762 52.887 52.037 0.146 0.000 0.679 61 A CB -0.045 18.947 19.000 -0.013 0.000 0.795 61 A HN 0.437 nan 8.150 nan 0.000 0.458 62 E N 0.218 120.464 120.200 0.077 0.000 2.511 62 E HA -0.008 4.342 4.350 -0.001 0.000 0.196 62 E C 1.031 177.667 176.600 0.058 0.000 1.066 62 E CA 0.534 56.962 56.400 0.048 0.000 0.871 62 E CB -0.070 29.650 29.700 0.035 0.000 0.863 62 E HN 0.640 nan 8.360 nan 0.000 0.520 63 K N 0.407 120.861 120.400 0.089 0.000 2.367 63 K HA 0.192 4.512 4.320 -0.001 0.000 0.194 63 K C 1.639 178.300 176.600 0.101 0.000 1.027 63 K CA 0.183 56.524 56.287 0.091 0.000 1.075 63 K CB 0.465 33.031 32.500 0.109 0.000 0.845 63 K HN 0.174 nan 8.250 nan 0.000 0.529 64 I N -2.441 118.187 120.570 0.097 0.000 4.081 64 I HA 0.241 4.411 4.170 -0.001 0.000 0.333 64 I C -0.284 175.904 176.117 0.119 0.000 1.413 64 I CA -0.687 60.678 61.300 0.108 0.000 1.110 64 I CB 0.363 38.413 38.000 0.084 0.000 1.082 64 I HN -0.210 nan 8.210 nan 0.000 0.402 65 R N 2.184 122.734 120.500 0.085 0.000 2.594 65 R HA 0.456 4.796 4.340 -0.001 0.000 0.272 65 R C -0.316 176.021 176.300 0.062 0.000 1.074 65 R CA -0.417 55.726 56.100 0.072 0.000 1.105 65 R CB 1.031 31.345 30.300 0.024 0.000 1.008 65 R HN 0.314 nan 8.270 nan 0.000 0.472 66 L N 1.289 122.532 121.223 0.032 0.000 2.395 66 L HA 0.094 4.433 4.340 -0.001 0.000 0.269 66 L C 0.633 177.494 176.870 -0.015 0.000 1.133 66 L CA -0.501 54.350 54.840 0.019 0.000 0.812 66 L CB 0.442 42.488 42.059 -0.021 0.000 1.125 66 L HN 0.450 nan 8.230 nan 0.000 0.452 67 D N 0.863 121.272 120.400 0.016 0.000 2.336 67 D HA 0.116 4.755 4.640 -0.001 0.000 0.249 67 D C 0.061 176.365 176.300 0.007 0.000 1.213 67 D CA -0.263 53.744 54.000 0.011 0.000 0.870 67 D CB 0.884 41.706 40.800 0.038 0.000 1.076 67 D HN 0.450 nan 8.370 nan 0.000 0.483 68 C N 4.656 123.943 119.300 -0.022 0.000 2.780 68 C HA 0.097 4.556 4.460 -0.001 0.000 0.287 68 C C 2.039 177.087 174.990 0.096 0.000 1.288 68 C CA -0.471 58.566 59.018 0.032 0.000 1.713 68 C CB -1.009 26.656 27.740 -0.124 0.000 1.955 68 C HN 0.704 nan 8.230 nan 0.000 0.613 69 K N 1.028 121.463 120.400 0.058 0.000 2.296 69 K HA 0.011 4.331 4.320 -0.001 0.000 0.200 69 K C 1.589 178.226 176.600 0.062 0.000 1.048 69 K CA 0.841 57.164 56.287 0.059 0.000 0.966 69 K CB -0.178 32.344 32.500 0.038 0.000 0.754 69 K HN 0.378 nan 8.250 nan 0.000 0.466 70 R N 0.603 121.140 120.500 0.062 0.000 2.313 70 R HA 0.120 4.459 4.340 -0.001 0.000 0.199 70 R C 0.215 176.554 176.300 0.065 0.000 0.958 70 R CA 0.422 56.553 56.100 0.052 0.000 1.047 70 R CB 0.394 30.719 30.300 0.042 0.000 0.955 70 R HN 0.221 nan 8.270 nan 0.000 0.481 71 A N 2.042 124.928 122.820 0.111 0.000 3.215 71 A HA 0.299 4.619 4.320 -0.001 0.000 0.320 71 A C -2.361 175.310 177.584 0.145 0.000 1.084 71 A CA -1.459 50.661 52.037 0.139 0.000 0.969 71 A CB 0.098 19.255 19.000 0.261 0.000 1.064 71 A HN -0.040 nan 8.150 nan 0.000 0.513 72 P HA 0.123 nan 4.420 nan 0.000 0.272 72 P C -0.169 177.156 177.300 0.041 0.000 1.230 72 P CA 0.527 63.669 63.100 0.070 0.000 0.788 72 P CB 0.520 32.241 31.700 0.035 0.000 0.949 73 E N -1.995 118.228 120.200 0.039 0.000 2.416 73 E HA -0.115 4.234 4.350 -0.001 0.000 0.249 73 E C -0.782 175.795 176.600 -0.038 0.000 1.124 73 E CA 0.583 56.983 56.400 -0.001 0.000 0.732 73 E CB -1.854 27.827 29.700 -0.032 0.000 1.286 73 E HN 0.233 nan 8.360 nan 0.000 0.394 74 V N 0.777 120.666 119.914 -0.042 0.000 2.417 74 V HA 0.253 4.372 4.120 -0.001 0.000 0.291 74 V C 0.448 176.379 176.094 -0.272 0.000 1.024 74 V CA -0.571 61.580 62.300 -0.249 0.000 0.861 74 V CB 1.867 33.392 31.823 -0.496 0.000 0.985 74 V HN 0.182 nan 8.190 nan 0.000 0.436 75 E N 4.000 124.043 120.200 -0.263 0.000 2.152 75 E HA 0.251 4.600 4.350 -0.001 0.000 0.285 75 E C -1.491 174.963 176.600 -0.244 0.000 1.043 75 E CA -0.466 55.851 56.400 -0.138 0.000 0.839 75 E CB 0.624 30.293 29.700 -0.051 0.000 1.069 75 E HN 0.609 nan 8.360 nan 0.000 0.399 76 W N 5.973 127.286 121.300 0.023 0.000 2.311 76 W HA 0.303 4.963 4.660 -0.000 0.000 0.317 76 W C -0.579 175.952 176.519 0.020 0.000 1.065 76 W CA -0.647 56.710 57.345 0.021 0.000 1.364 76 W CB 0.624 30.096 29.460 0.021 0.000 1.233 76 W HN 0.392 nan 8.180 nan 0.000 0.409 77 L N 5.883 127.215 121.223 0.182 0.000 2.358 77 L HA 0.288 4.627 4.340 -0.001 0.000 0.274 77 L C -0.001 176.948 176.870 0.132 0.000 1.136 77 L CA -0.320 54.595 54.840 0.125 0.000 0.970 77 L CB -0.444 41.658 42.059 0.071 0.000 1.314 77 L HN 0.312 nan 8.230 nan 0.000 0.427 78 L N 2.214 123.519 121.223 0.138 0.000 2.375 78 L HA 0.461 4.801 4.340 -0.001 0.000 0.271 78 L C 1.310 178.225 176.870 0.076 0.000 1.107 78 L CA -0.174 54.732 54.840 0.110 0.000 0.806 78 L CB 1.035 43.152 42.059 0.096 0.000 1.146 78 L HN 0.754 nan 8.230 nan 0.000 0.447 79 G N 2.211 111.050 108.800 0.065 0.000 2.147 79 G HA2 -0.199 3.760 3.960 -0.001 0.000 0.244 79 G HA3 -0.199 3.760 3.960 -0.001 0.000 0.244 79 G C -0.297 174.630 174.900 0.046 0.000 1.005 79 G CA -0.013 45.117 45.100 0.050 0.000 0.713 79 G HN 0.370 nan 8.290 nan 0.000 0.515 80 V N 0.269 120.213 119.914 0.050 0.000 2.604 80 V HA 0.702 4.822 4.120 -0.001 0.000 0.305 80 V C 0.295 176.413 176.094 0.040 0.000 1.043 80 V CA -0.394 61.932 62.300 0.044 0.000 0.888 80 V CB 2.103 33.955 31.823 0.048 0.000 0.995 80 V HN 0.262 nan 8.190 nan 0.000 0.429 81 T N 3.927 118.501 114.554 0.035 0.000 2.767 81 T HA 0.595 4.945 4.350 -0.001 0.000 0.284 81 T C 0.234 174.955 174.700 0.035 0.000 0.973 81 T CA -0.181 61.938 62.100 0.032 0.000 0.996 81 T CB 1.417 70.302 68.868 0.028 0.000 0.927 81 T HN 0.937 nan 8.240 nan 0.000 0.456 82 A N 3.259 126.101 122.820 0.036 0.000 2.451 82 A HA 0.234 4.554 4.320 -0.001 0.000 0.266 82 A C 1.086 178.703 177.584 0.055 0.000 1.119 82 A CA -0.211 51.855 52.037 0.049 0.000 0.786 82 A CB 0.229 19.258 19.000 0.048 0.000 1.061 82 A HN 0.960 nan 8.150 nan 0.000 0.503 83 Q N 1.050 120.885 119.800 0.057 0.000 2.373 83 Q HA 0.122 4.462 4.340 -0.001 0.000 0.210 83 Q C 0.275 176.300 176.000 0.042 0.000 0.913 83 Q CA 0.985 56.813 55.803 0.042 0.000 0.911 83 Q CB 0.268 29.024 28.738 0.031 0.000 1.040 83 Q HN 0.970 nan 8.270 nan 0.000 0.521 84 S N -0.587 115.156 115.700 0.071 0.000 2.595 84 S HA 0.575 5.045 4.470 -0.001 0.000 0.270 84 S C -1.263 173.437 174.600 0.167 0.000 1.145 84 S CA -1.138 57.090 58.200 0.046 0.000 0.825 84 S CB 0.801 63.991 63.200 -0.016 0.000 1.107 84 S HN 0.252 nan 8.310 nan 0.000 0.461 85 F N -0.340 119.622 119.950 0.020 0.000 2.588 85 F HA 0.846 5.373 4.527 -0.001 0.000 0.314 85 F C -1.060 174.773 175.800 0.056 0.000 1.069 85 F CA -0.793 57.241 58.000 0.057 0.000 0.931 85 F CB 1.469 40.502 39.000 0.056 0.000 1.260 85 F HN 0.591 nan 8.300 nan 0.000 0.465 86 D N 3.660 124.210 120.400 0.252 0.000 2.460 86 D HA 0.349 4.989 4.640 -0.001 0.000 0.232 86 D C -2.014 174.388 176.300 0.169 0.000 1.079 86 D CA -2.602 51.458 54.000 0.100 0.000 0.864 86 D CB 1.998 42.834 40.800 0.060 0.000 1.048 86 D HN 0.320 nan 8.370 nan 0.000 0.523 87 P HA -0.046 nan 4.420 nan 0.000 0.233 87 P C 0.917 178.098 177.300 -0.198 0.000 1.167 87 P CA 0.717 63.867 63.100 0.084 0.000 0.770 87 P CB 0.773 32.585 31.700 0.187 0.000 0.837 88 Q N 0.072 119.839 119.800 -0.055 0.000 2.089 88 Q HA 0.076 4.416 4.340 -0.001 0.000 0.195 88 Q C 2.321 178.382 176.000 0.101 0.000 0.963 88 Q CA 1.395 57.208 55.803 0.016 0.000 0.834 88 Q CB -0.543 28.212 28.738 0.028 0.000 0.906 88 Q HN 0.156 nan 8.270 nan 0.000 0.452 89 A N 0.091 122.943 122.820 0.053 0.000 2.119 89 A HA -0.087 4.233 4.320 -0.001 0.000 0.216 89 A C -0.393 177.231 177.584 0.067 0.000 1.152 89 A CA 0.577 52.655 52.037 0.068 0.000 0.708 89 A CB -0.451 18.571 19.000 0.038 0.000 0.805 89 A HN 0.529 nan 8.150 nan 0.000 0.460 90 H N 0.079 119.021 119.070 -0.213 0.000 2.748 90 H HA -0.115 4.440 4.556 -0.000 0.000 0.322 90 H C 0.181 175.184 175.328 -0.542 0.000 1.208 90 H CA 0.811 56.422 56.048 -0.729 0.000 1.151 90 H CB -2.202 27.101 29.762 -0.764 0.000 1.505 90 H HN 0.686 nan 8.280 nan 0.000 0.429 91 T N -3.072 111.486 114.554 0.007 0.000 2.896 91 T HA 0.767 5.116 4.350 -0.001 0.000 0.297 91 T C -0.331 174.574 174.700 0.343 0.000 1.108 91 T CA -0.769 61.438 62.100 0.180 0.000 1.004 91 T CB 2.613 71.543 68.868 0.102 0.000 1.159 91 T HN 0.091 nan 8.240 nan 0.000 0.499 92 V N 1.178 121.256 119.914 0.273 0.000 2.540 92 V HA 0.779 4.898 4.120 -0.001 0.000 0.302 92 V C 0.307 176.486 176.094 0.142 0.000 1.035 92 V CA -1.064 61.370 62.300 0.224 0.000 0.873 92 V CB 1.383 33.298 31.823 0.152 0.000 0.992 92 V HN 1.324 nan 8.190 nan 0.000 0.428 93 A N 6.109 129.003 122.820 0.123 0.000 2.289 93 A HA 0.820 5.140 4.320 -0.001 0.000 0.298 93 A C -0.532 177.093 177.584 0.068 0.000 1.208 93 A CA -0.361 51.725 52.037 0.081 0.000 0.845 93 A CB 0.274 19.312 19.000 0.064 0.000 1.125 93 A HN 0.808 nan 8.150 nan 0.000 0.517 94 L N 2.240 123.496 121.223 0.055 0.000 2.344 94 L HA 0.338 4.677 4.340 -0.001 0.000 0.272 94 L C 1.633 178.526 176.870 0.038 0.000 1.035 94 L CA -0.366 54.501 54.840 0.046 0.000 0.807 94 L CB 1.916 44.001 42.059 0.044 0.000 1.237 94 L HN 0.921 nan 8.230 nan 0.000 0.442 95 S N -1.026 114.695 115.700 0.035 0.000 2.474 95 S HA -0.152 4.317 4.470 -0.001 0.000 0.235 95 S C 0.945 175.562 174.600 0.027 0.000 0.997 95 S CA 0.970 59.187 58.200 0.029 0.000 0.949 95 S CB -0.434 62.782 63.200 0.028 0.000 0.766 95 S HN 0.840 nan 8.310 nan 0.000 0.517 96 D N 0.160 120.578 120.400 0.030 0.000 2.328 96 D HA 0.289 4.928 4.640 -0.001 0.000 0.226 96 D C 1.385 177.700 176.300 0.026 0.000 1.066 96 D CA 0.533 54.549 54.000 0.027 0.000 0.861 96 D CB -0.498 40.319 40.800 0.030 0.000 0.912 96 D HN 0.536 nan 8.370 nan 0.000 0.521 97 G N -0.105 108.711 108.800 0.027 0.000 2.194 97 G HA2 -0.257 3.703 3.960 -0.001 0.000 0.236 97 G HA3 -0.257 3.703 3.960 -0.001 0.000 0.236 97 G C 0.357 175.274 174.900 0.028 0.000 0.987 97 G CA -0.279 44.836 45.100 0.025 0.000 0.635 97 G HN 0.319 nan 8.290 nan 0.000 0.520 98 R N 0.587 121.106 120.500 0.031 0.000 2.543 98 R HA 0.698 5.038 4.340 -0.001 0.000 0.268 98 R C -0.212 176.113 176.300 0.042 0.000 1.067 98 R CA 0.032 56.153 56.100 0.034 0.000 1.142 98 R CB 0.392 30.712 30.300 0.033 0.000 1.110 98 R HN 0.177 nan 8.270 nan 0.000 0.549 99 T N 1.681 116.261 114.554 0.044 0.000 2.841 99 T HA 0.521 4.870 4.350 -0.001 0.000 0.283 99 T C -0.159 174.578 174.700 0.062 0.000 1.000 99 T CA -0.611 61.523 62.100 0.057 0.000 0.977 99 T CB 1.376 70.276 68.868 0.053 0.000 0.979 99 T HN 0.194 nan 8.240 nan 0.000 0.446 100 L N 5.191 126.464 121.223 0.083 0.000 2.322 100 L HA 0.505 4.844 4.340 -0.001 0.000 0.281 100 L C -2.087 174.858 176.870 0.126 0.000 1.014 100 L CA -2.315 52.579 54.840 0.090 0.000 0.815 100 L CB 1.937 44.049 42.059 0.088 0.000 1.247 100 L HN 0.357 nan 8.230 nan 0.000 0.421 101 P HA 0.226 nan 4.420 nan 0.000 0.277 101 P C -1.745 175.656 177.300 0.169 0.000 1.240 101 P CA -0.193 62.957 63.100 0.084 0.000 0.798 101 P CB 0.941 32.663 31.700 0.036 0.000 0.979 102 Y N -2.097 118.254 120.300 0.085 0.000 2.534 102 Y HA 0.700 5.250 4.550 -0.000 0.000 0.345 102 Y C 0.828 176.796 175.900 0.114 0.000 1.031 102 Y CA -0.986 57.160 58.100 0.077 0.000 1.022 102 Y CB 0.692 39.179 38.460 0.045 0.000 1.292 102 Y HN 0.388 nan 8.280 nan 0.000 0.459 103 G N 0.501 109.452 108.800 0.251 0.000 2.510 103 G HA2 0.250 4.210 3.960 -0.001 0.000 0.212 103 G HA3 0.250 4.210 3.960 -0.001 0.000 0.212 103 G C -0.304 174.822 174.900 0.376 0.000 1.151 103 G CA 0.428 45.643 45.100 0.192 0.000 0.817 103 G HN 0.588 nan 8.290 nan 0.000 0.534 104 T N 0.543 115.308 114.554 0.352 0.000 2.879 104 T HA 0.509 4.858 4.350 -0.001 0.000 0.290 104 T C -1.593 173.120 174.700 0.023 0.000 0.993 104 T CA -0.398 61.841 62.100 0.232 0.000 0.975 104 T CB 2.480 71.382 68.868 0.056 0.000 0.981 104 T HN 0.088 nan 8.240 nan 0.000 0.439 105 L N 4.575 125.641 121.223 -0.261 0.000 2.317 105 L HA 0.815 5.154 4.340 -0.001 0.000 0.281 105 L C -1.158 175.479 176.870 -0.389 0.000 1.024 105 L CA -0.525 53.923 54.840 -0.653 0.000 0.810 105 L CB 1.441 42.636 42.059 -1.440 0.000 1.240 105 L HN 0.470 nan 8.230 nan 0.000 0.427 106 V N 6.282 125.957 119.914 -0.398 0.000 2.483 106 V HA 0.409 4.528 4.120 -0.001 0.000 0.297 106 V C -0.253 175.618 176.094 -0.372 0.000 1.027 106 V CA -0.608 61.453 62.300 -0.398 0.000 0.855 106 V CB 1.573 33.001 31.823 -0.659 0.000 0.995 106 V HN 0.572 nan 8.190 nan 0.000 0.424 107 L N 4.418 125.456 121.223 -0.309 0.000 2.255 107 L HA 0.714 5.054 4.340 -0.001 0.000 0.289 107 L C 0.573 177.321 176.870 -0.203 0.000 1.046 107 L CA -0.219 54.479 54.840 -0.237 0.000 0.816 107 L CB 1.274 43.223 42.059 -0.183 0.000 1.197 107 L HN 0.775 nan 8.230 nan 0.000 0.427 108 A N 1.253 123.964 122.820 -0.182 0.000 3.129 108 A HA 0.297 4.617 4.320 -0.001 0.000 0.282 108 A C 0.890 178.407 177.584 -0.111 0.000 0.948 108 A CA -0.280 51.661 52.037 -0.160 0.000 1.027 108 A CB -0.139 18.751 19.000 -0.184 0.000 1.123 108 A HN 0.707 nan 8.150 nan 0.000 0.485 109 T N -3.233 111.265 114.554 -0.094 0.000 3.107 109 T HA 0.456 4.806 4.350 -0.001 0.000 0.249 109 T C 1.312 175.974 174.700 -0.064 0.000 1.096 109 T CA 0.871 62.931 62.100 -0.067 0.000 1.012 109 T CB -0.103 68.736 68.868 -0.049 0.000 0.977 109 T HN 1.932 nan 8.240 nan 0.000 0.527 110 G N 1.572 110.326 108.800 -0.077 0.000 2.552 110 G HA2 0.226 4.185 3.960 -0.001 0.000 0.265 110 G HA3 0.226 4.185 3.960 -0.001 0.000 0.265 110 G C -0.132 174.729 174.900 -0.064 0.000 1.234 110 G CA -0.209 44.846 45.100 -0.075 0.000 0.944 110 G HN 1.495 nan 8.290 nan 0.000 0.568 111 A N -1.365 121.420 122.820 -0.057 0.000 2.587 111 A HA 1.072 5.392 4.320 -0.001 0.000 0.293 111 A C -0.032 177.529 177.584 -0.039 0.000 1.087 111 A CA 0.501 52.508 52.037 -0.050 0.000 0.692 111 A CB 1.303 20.268 19.000 -0.057 0.000 1.291 111 A HN 2.642 nan 8.150 nan 0.000 0.407 112 A N 1.135 123.936 122.820 -0.031 0.000 2.374 112 A HA 0.895 5.215 4.320 -0.001 0.000 0.317 112 A C -2.992 174.580 177.584 -0.020 0.000 1.094 112 A CA -1.945 50.080 52.037 -0.020 0.000 0.765 112 A CB 0.864 19.856 19.000 -0.013 0.000 1.268 112 A HN 0.486 nan 8.150 nan 0.000 0.438 113 P HA 0.088 nan 4.420 nan 0.000 0.264 113 P C -0.483 176.809 177.300 -0.012 0.000 1.183 113 P CA 0.296 63.389 63.100 -0.013 0.000 0.763 113 P CB 0.312 32.010 31.700 -0.003 0.000 0.807 114 R N 2.241 122.732 120.500 -0.016 0.000 2.489 114 R HA 0.371 4.710 4.340 -0.001 0.000 0.287 114 R C 0.474 176.768 176.300 -0.010 0.000 1.053 114 R CA -0.238 55.854 56.100 -0.014 0.000 1.036 114 R CB 0.341 30.632 30.300 -0.016 0.000 0.966 114 R HN 0.491 nan 8.270 nan 0.000 0.432 115 A N 3.147 125.962 122.820 -0.008 0.000 2.351 115 A HA 0.218 4.537 4.320 -0.001 0.000 0.257 115 A C -0.519 177.059 177.584 -0.010 0.000 1.087 115 A CA -0.529 51.504 52.037 -0.007 0.000 0.798 115 A CB 0.485 19.482 19.000 -0.005 0.000 1.033 115 A HN 0.549 nan 8.150 nan 0.000 0.488 116 L N 3.819 125.034 121.223 -0.013 0.000 2.259 116 L HA 0.428 4.768 4.340 -0.001 0.000 0.288 116 L C -1.795 175.066 176.870 -0.014 0.000 1.051 116 L CA -1.731 53.100 54.840 -0.015 0.000 0.824 116 L CB 0.958 43.006 42.059 -0.019 0.000 1.206 116 L HN 0.425 nan 8.230 nan 0.000 0.429 117 P HA -0.170 nan 4.420 nan 0.000 0.216 117 P C 1.304 178.597 177.300 -0.012 0.000 1.150 117 P CA 1.836 64.930 63.100 -0.010 0.000 0.843 117 P CB -0.002 31.693 31.700 -0.008 0.000 0.787 118 T N -3.558 110.988 114.554 -0.013 0.000 3.051 118 T HA -0.031 4.319 4.350 -0.001 0.000 0.269 118 T C 1.388 176.077 174.700 -0.018 0.000 1.127 118 T CA 0.794 62.885 62.100 -0.014 0.000 1.107 118 T CB -0.859 68.001 68.868 -0.014 0.000 0.898 118 T HN 0.092 nan 8.240 nan 0.000 0.517 119 L N -0.169 121.042 121.223 -0.020 0.000 2.667 119 L HA 0.317 4.656 4.340 -0.001 0.000 0.232 119 L C 2.450 179.307 176.870 -0.023 0.000 1.138 119 L CA -0.158 54.667 54.840 -0.025 0.000 0.921 119 L CB -0.091 41.948 42.059 -0.033 0.000 1.180 119 L HN 0.155 nan 8.230 nan 0.000 0.487 120 Q N 1.209 120.998 119.800 -0.017 0.000 2.077 120 Q HA -0.148 4.191 4.340 -0.001 0.000 0.206 120 Q C 1.918 177.909 176.000 -0.014 0.000 0.989 120 Q CA 1.941 57.736 55.803 -0.014 0.000 0.853 120 Q CB -0.258 28.474 28.738 -0.010 0.000 0.907 120 Q HN 0.422 nan 8.270 nan 0.000 0.418 121 G N -1.242 107.550 108.800 -0.014 0.000 3.448 121 G HA2 0.440 4.399 3.960 -0.001 0.000 0.261 121 G HA3 0.440 4.399 3.960 -0.001 0.000 0.261 121 G C -0.155 174.735 174.900 -0.017 0.000 1.173 121 G CA 0.204 45.296 45.100 -0.013 0.000 0.835 121 G HN 0.451 nan 8.290 nan 0.000 0.534 122 A N 0.539 123.345 122.820 -0.023 0.000 2.498 122 A HA 0.464 4.784 4.320 -0.001 0.000 0.239 122 A C 1.339 178.906 177.584 -0.028 0.000 1.068 122 A CA 0.798 52.817 52.037 -0.029 0.000 0.766 122 A CB 0.249 19.224 19.000 -0.042 0.000 1.003 122 A HN 0.554 nan 8.150 nan 0.000 0.497 123 T N -0.167 114.372 114.554 -0.026 0.000 3.269 123 T HA 0.484 4.833 4.350 -0.001 0.000 0.269 123 T C 0.042 174.726 174.700 -0.027 0.000 0.993 123 T CA -0.007 62.080 62.100 -0.022 0.000 0.909 123 T CB -1.096 67.763 68.868 -0.015 0.000 1.115 123 T HN 0.807 nan 8.240 nan 0.000 0.543 124 M N -1.200 118.376 119.600 -0.041 0.000 2.631 124 M HA 0.758 5.237 4.480 -0.001 0.000 0.288 124 M C -3.227 173.019 176.300 -0.090 0.000 1.260 124 M CA -2.400 52.870 55.300 -0.051 0.000 0.842 124 M CB 1.193 33.764 32.600 -0.049 0.000 1.743 124 M HN -0.332 nan 8.290 nan 0.000 0.461 125 P HA 0.269 nan 4.420 nan 0.000 0.266 125 P C -1.276 175.770 177.300 -0.424 0.000 1.215 125 P CA -0.171 62.778 63.100 -0.251 0.000 0.763 125 P CB 0.510 32.121 31.700 -0.149 0.000 0.806 126 V N 5.294 124.903 119.914 -0.507 0.000 2.482 126 V HA 0.336 4.455 4.120 -0.001 0.000 0.295 126 V C -0.228 175.626 176.094 -0.400 0.000 1.026 126 V CA -0.559 61.512 62.300 -0.383 0.000 0.856 126 V CB 1.278 33.003 31.823 -0.163 0.000 1.001 126 V HN 0.597 nan 8.190 nan 0.000 0.424 127 H N 1.830 120.898 119.070 -0.005 0.000 2.834 127 H HA 0.789 5.344 4.556 -0.001 0.000 0.369 127 H C -0.019 175.307 175.328 -0.004 0.000 1.174 127 H CA -0.567 55.480 56.048 -0.002 0.000 1.165 127 H CB 2.419 32.182 29.762 0.002 0.000 1.820 127 H HN 0.702 nan 8.280 nan 0.000 0.558 128 T N -1.045 113.593 114.554 0.141 0.000 2.940 128 T HA 0.515 4.865 4.350 -0.001 0.000 0.288 128 T C -0.598 174.138 174.700 0.060 0.000 1.045 128 T CA -0.981 61.162 62.100 0.071 0.000 1.018 128 T CB 1.623 70.514 68.868 0.038 0.000 1.151 128 T HN 0.219 nan 8.240 nan 0.000 0.529 129 L N 1.229 122.473 121.223 0.035 0.000 2.401 129 L HA 0.727 5.066 4.340 -0.001 0.000 0.263 129 L C 0.408 177.289 176.870 0.018 0.000 1.004 129 L CA -0.393 54.464 54.840 0.028 0.000 0.881 129 L CB 1.155 43.231 42.059 0.028 0.000 1.219 129 L HN 0.854 nan 8.230 nan 0.000 0.441 130 R N 1.441 121.955 120.500 0.023 0.000 2.562 130 R HA 0.347 4.686 4.340 -0.001 0.000 0.191 130 R C 0.217 176.553 176.300 0.059 0.000 0.835 130 R CA 1.093 57.209 56.100 0.026 0.000 1.036 130 R CB 0.371 30.680 30.300 0.015 0.000 1.437 130 R HN 0.609 nan 8.270 nan 0.000 0.654 131 T N -1.722 112.869 114.554 0.061 0.000 2.948 131 T HA 0.258 4.608 4.350 -0.001 0.000 0.285 131 T C 0.978 175.675 174.700 -0.004 0.000 1.019 131 T CA -0.590 61.577 62.100 0.112 0.000 1.013 131 T CB 1.157 70.080 68.868 0.092 0.000 1.117 131 T HN 0.017 nan 8.240 nan 0.000 0.533 132 L N 0.635 121.767 121.223 -0.151 0.000 2.042 132 L HA 0.024 4.363 4.340 -0.001 0.000 0.210 132 L C 2.621 179.365 176.870 -0.209 0.000 1.076 132 L CA 2.114 56.689 54.840 -0.441 0.000 0.749 132 L CB -1.162 40.381 42.059 -0.860 0.000 0.893 132 L HN 0.994 nan 8.230 nan 0.000 0.432 133 E N -0.896 119.232 120.200 -0.120 0.000 2.085 133 E HA -0.258 4.091 4.350 -0.001 0.000 0.194 133 E C 1.691 178.261 176.600 -0.050 0.000 0.994 133 E CA 1.557 57.919 56.400 -0.063 0.000 0.801 133 E CB -0.025 29.654 29.700 -0.035 0.000 0.743 133 E HN 0.545 nan 8.360 nan 0.000 0.453 134 D N 0.149 120.525 120.400 -0.039 0.000 2.097 134 D HA -0.152 4.487 4.640 -0.001 0.000 0.195 134 D C 1.841 178.120 176.300 -0.036 0.000 0.989 134 D CA 1.409 55.384 54.000 -0.042 0.000 0.827 134 D CB -0.381 40.415 40.800 -0.007 0.000 0.966 134 D HN 0.314 nan 8.370 nan 0.000 0.456 135 A N 1.042 123.865 122.820 0.005 0.000 1.902 135 A HA -0.183 4.136 4.320 -0.001 0.000 0.217 135 A C 2.204 179.870 177.584 0.137 0.000 1.181 135 A CA 1.305 53.400 52.037 0.095 0.000 0.623 135 A CB -0.438 18.653 19.000 0.152 0.000 0.818 135 A HN 0.116 nan 8.150 nan 0.000 0.443 136 R N -1.070 119.507 120.500 0.129 0.000 2.096 136 R HA -0.092 4.247 4.340 -0.001 0.000 0.235 136 R C 2.535 178.832 176.300 -0.005 0.000 1.127 136 R CA 1.446 57.608 56.100 0.104 0.000 0.968 136 R CB -0.297 30.056 30.300 0.088 0.000 0.861 136 R HN 0.574 nan 8.270 nan 0.000 0.440 137 R N 1.023 121.481 120.500 -0.069 0.000 2.073 137 R HA -0.113 4.227 4.340 -0.001 0.000 0.234 137 R C 2.143 178.320 176.300 -0.206 0.000 1.134 137 R CA 1.480 57.478 56.100 -0.170 0.000 0.952 137 R CB -0.223 29.908 30.300 -0.282 0.000 0.850 137 R HN 0.165 nan 8.270 nan 0.000 0.433 138 I N 0.811 121.276 120.570 -0.175 0.000 2.179 138 I HA -0.299 3.870 4.170 -0.001 0.000 0.242 138 I C 2.838 178.939 176.117 -0.025 0.000 1.088 138 I CA 1.154 62.408 61.300 -0.077 0.000 1.357 138 I CB -0.408 37.586 38.000 -0.010 0.000 1.051 138 I HN 0.341 nan 8.210 nan 0.000 0.409 139 Q N 1.244 121.031 119.800 -0.021 0.000 2.135 139 Q HA -0.226 4.113 4.340 -0.001 0.000 0.204 139 Q C 2.266 178.243 176.000 -0.038 0.000 0.981 139 Q CA 2.086 57.868 55.803 -0.036 0.000 0.856 139 Q CB -0.202 28.498 28.738 -0.062 0.000 0.902 139 Q HN 0.554 nan 8.270 nan 0.000 0.425 140 A N -0.387 122.411 122.820 -0.036 0.000 2.131 140 A HA -0.077 4.242 4.320 -0.001 0.000 0.220 140 A C 1.963 179.539 177.584 -0.013 0.000 1.158 140 A CA 1.600 53.620 52.037 -0.028 0.000 0.665 140 A CB -0.562 18.422 19.000 -0.028 0.000 0.795 140 A HN 0.495 nan 8.150 nan 0.000 0.460 141 G N -1.370 107.429 108.800 -0.002 0.000 3.126 141 G HA2 0.348 4.308 3.960 -0.001 0.000 0.224 141 G HA3 0.348 4.308 3.960 -0.001 0.000 0.224 141 G C 0.555 175.464 174.900 0.014 0.000 1.142 141 G CA -0.307 44.807 45.100 0.023 0.000 0.759 141 G HN 0.359 nan 8.290 nan 0.000 0.550 142 L N 2.071 123.291 121.223 -0.005 0.000 2.511 142 L HA 0.226 4.566 4.340 -0.001 0.000 0.239 142 L C 1.086 177.939 176.870 -0.027 0.000 1.400 142 L CA -0.397 54.433 54.840 -0.016 0.000 1.226 142 L CB -0.302 41.740 42.059 -0.029 0.000 1.475 142 L HN 0.122 nan 8.230 nan 0.000 0.428 143 R N 2.203 122.693 120.500 -0.018 0.000 2.442 143 R HA 0.224 4.563 4.340 -0.001 0.000 0.291 143 R C -2.265 174.012 176.300 -0.039 0.000 1.069 143 R CA -1.454 54.633 56.100 -0.022 0.000 1.022 143 R CB 0.696 30.991 30.300 -0.007 0.000 0.976 143 R HN 0.029 nan 8.270 nan 0.000 0.443 144 P HA -0.033 nan 4.420 nan 0.000 0.264 144 P C -0.776 176.479 177.300 -0.075 0.000 1.183 144 P CA 0.510 63.565 63.100 -0.074 0.000 0.763 144 P CB 0.613 32.280 31.700 -0.055 0.000 0.807 145 Q N -1.010 118.693 119.800 -0.162 0.000 2.374 145 Q HA -0.204 4.136 4.340 -0.001 0.000 0.218 145 Q C 0.337 176.374 176.000 0.063 0.000 0.691 145 Q CA 1.606 57.335 55.803 -0.123 0.000 1.340 145 Q CB -2.516 26.242 28.738 0.033 0.000 1.498 145 Q HN 0.679 nan 8.270 nan 0.000 0.739 146 S N -0.520 115.188 115.700 0.014 0.000 2.634 146 S HA 0.603 5.072 4.470 -0.001 0.000 0.261 146 S C 0.145 174.816 174.600 0.119 0.000 1.271 146 S CA -0.746 57.496 58.200 0.069 0.000 0.985 146 S CB 1.347 64.564 63.200 0.029 0.000 0.968 146 S HN 0.275 nan 8.310 nan 0.000 0.568 147 R N 0.286 120.846 120.500 0.100 0.000 2.393 147 R HA 0.559 4.898 4.340 -0.001 0.000 0.315 147 R C -1.360 174.968 176.300 0.046 0.000 0.952 147 R CA -0.732 55.427 56.100 0.098 0.000 0.842 147 R CB 1.380 31.719 30.300 0.065 0.000 1.163 147 R HN 0.579 nan 8.270 nan 0.000 0.450 148 L N 4.227 125.474 121.223 0.040 0.000 2.322 148 L HA 0.492 4.831 4.340 -0.001 0.000 0.281 148 L C -1.496 175.375 176.870 0.002 0.000 1.014 148 L CA -0.855 53.996 54.840 0.017 0.000 0.815 148 L CB 1.555 43.623 42.059 0.015 0.000 1.247 148 L HN 0.496 nan 8.230 nan 0.000 0.421 149 L N 6.204 127.420 121.223 -0.013 0.000 2.313 149 L HA 0.631 4.970 4.340 -0.001 0.000 0.283 149 L C -1.046 175.803 176.870 -0.033 0.000 1.013 149 L CA -0.056 54.767 54.840 -0.029 0.000 0.816 149 L CB 1.228 43.266 42.059 -0.035 0.000 1.236 149 L HN 0.596 nan 8.230 nan 0.000 0.419 150 I N 5.580 126.123 120.570 -0.045 0.000 2.354 150 I HA 0.376 4.546 4.170 -0.001 0.000 0.292 150 I C -0.661 175.419 176.117 -0.062 0.000 0.989 150 I CA -0.862 60.408 61.300 -0.049 0.000 1.188 150 I CB 1.841 39.808 38.000 -0.056 0.000 1.342 150 I HN 0.274 nan 8.210 nan 0.000 0.457 151 V N 5.567 125.450 119.914 -0.051 0.000 2.333 151 V HA 0.785 4.905 4.120 -0.001 0.000 0.274 151 V C 0.414 176.478 176.094 -0.049 0.000 1.028 151 V CA -0.400 61.868 62.300 -0.052 0.000 0.851 151 V CB 0.514 32.313 31.823 -0.041 0.000 1.000 151 V HN 1.062 nan 8.190 nan 0.000 0.456 152 G N 3.497 112.262 108.800 -0.058 0.000 3.226 152 G HA2 0.206 4.165 3.960 -0.001 0.000 0.685 152 G HA3 0.206 4.165 3.960 -0.001 0.000 0.685 152 G C 0.118 174.982 174.900 -0.061 0.000 1.207 152 G CA -0.485 44.587 45.100 -0.048 0.000 0.877 152 G HN 1.183 nan 8.290 nan 0.000 0.585 153 G N 0.612 109.386 108.800 -0.044 0.000 3.702 153 G HA2 0.647 4.606 3.960 -0.001 0.000 0.288 153 G HA3 0.647 4.606 3.960 -0.001 0.000 0.288 153 G C 0.948 175.839 174.900 -0.015 0.000 1.193 153 G CA 0.943 46.019 45.100 -0.041 0.000 0.952 153 G HN 1.344 nan 8.290 nan 0.000 0.544 154 G N -0.432 108.350 108.800 -0.029 0.000 2.651 154 G HA2 0.332 4.291 3.960 -0.001 0.000 0.260 154 G HA3 0.332 4.291 3.960 -0.001 0.000 0.260 154 G C 1.472 176.346 174.900 -0.042 0.000 1.216 154 G CA 0.234 45.312 45.100 -0.036 0.000 0.913 154 G HN 0.560 nan 8.290 nan 0.000 0.535 155 V N -0.401 119.480 119.914 -0.053 0.000 2.324 155 V HA -0.221 3.898 4.120 -0.001 0.000 0.250 155 V C 2.526 178.589 176.094 -0.051 0.000 1.060 155 V CA 1.909 64.184 62.300 -0.040 0.000 1.042 155 V CB -0.919 30.866 31.823 -0.064 0.000 0.650 155 V HN 0.628 nan 8.190 nan 0.000 0.450 156 I N 1.683 122.210 120.570 -0.073 0.000 2.252 156 I HA -0.061 4.109 4.170 -0.001 0.000 0.245 156 I C 2.844 178.939 176.117 -0.037 0.000 1.102 156 I CA 1.662 62.928 61.300 -0.056 0.000 1.385 156 I CB -1.064 36.900 38.000 -0.060 0.000 1.064 156 I HN 0.447 nan 8.210 nan 0.000 0.414 157 G N 1.075 109.847 108.800 -0.046 0.000 2.440 157 G HA2 -0.205 3.755 3.960 -0.001 0.000 0.218 157 G HA3 -0.205 3.755 3.960 -0.001 0.000 0.218 157 G C 1.700 176.559 174.900 -0.069 0.000 1.154 157 G CA 0.612 45.681 45.100 -0.052 0.000 0.767 157 G HN 0.281 nan 8.290 nan 0.000 0.552 158 L N -0.116 121.056 121.223 -0.085 0.000 2.156 158 L HA 0.038 4.377 4.340 -0.001 0.000 0.208 158 L C 2.830 179.716 176.870 0.027 0.000 1.095 158 L CA 0.849 55.604 54.840 -0.141 0.000 0.770 158 L CB -0.323 41.643 42.059 -0.155 0.000 0.914 158 L HN 0.269 nan 8.230 nan 0.000 0.439 159 E N 0.097 120.322 120.200 0.041 0.000 2.072 159 E HA -0.245 4.104 4.350 -0.001 0.000 0.191 159 E C 2.103 178.738 176.600 0.057 0.000 0.985 159 E CA 0.999 57.440 56.400 0.069 0.000 0.801 159 E CB -0.123 29.594 29.700 0.030 0.000 0.750 159 E HN 0.241 nan 8.360 nan 0.000 0.452 160 L N 1.105 122.343 121.223 0.026 0.000 2.046 160 L HA -0.114 4.225 4.340 -0.001 0.000 0.208 160 L C 2.212 179.096 176.870 0.025 0.000 1.077 160 L CA 1.905 56.758 54.840 0.021 0.000 0.747 160 L CB -0.605 41.460 42.059 0.010 0.000 0.896 160 L HN 0.026 nan 8.230 nan 0.000 0.432 161 A N -0.367 122.463 122.820 0.017 0.000 1.883 161 A HA -0.163 4.156 4.320 -0.001 0.000 0.217 161 A C 2.464 180.105 177.584 0.095 0.000 1.186 161 A CA 2.093 54.147 52.037 0.029 0.000 0.624 161 A CB -1.257 17.722 19.000 -0.036 0.000 0.822 161 A HN 0.584 nan 8.150 nan 0.000 0.444 162 A N -1.200 121.724 122.820 0.173 0.000 1.902 162 A HA -0.072 4.247 4.320 -0.001 0.000 0.217 162 A C 2.315 179.948 177.584 0.082 0.000 1.181 162 A CA 2.291 54.435 52.037 0.178 0.000 0.623 162 A CB -1.306 17.839 19.000 0.243 0.000 0.818 162 A HN 0.438 nan 8.150 nan 0.000 0.443 163 T N 0.365 114.952 114.554 0.055 0.000 2.746 163 T HA -0.045 4.305 4.350 -0.001 0.000 0.267 163 T C 2.214 176.908 174.700 -0.011 0.000 1.039 163 T CA 1.659 63.763 62.100 0.007 0.000 1.142 163 T CB -0.455 68.411 68.868 -0.004 0.000 0.866 163 T HN 0.596 nan 8.240 nan 0.000 0.444 164 A N 1.921 124.740 122.820 -0.001 0.000 1.902 164 A HA -0.109 4.211 4.320 -0.001 0.000 0.217 164 A C 2.406 179.972 177.584 -0.029 0.000 1.181 164 A CA 1.087 53.113 52.037 -0.018 0.000 0.623 164 A CB -0.358 18.637 19.000 -0.009 0.000 0.818 164 A HN 0.188 nan 8.150 nan 0.000 0.443 165 R N -0.379 120.115 120.500 -0.009 0.000 2.081 165 R HA -0.089 4.250 4.340 -0.001 0.000 0.235 165 R C 2.185 178.466 176.300 -0.032 0.000 1.131 165 R CA 1.849 57.936 56.100 -0.022 0.000 0.960 165 R CB -1.686 28.614 30.300 -0.001 0.000 0.856 165 R HN 0.566 nan 8.270 nan 0.000 0.436 166 T N 1.223 115.767 114.554 -0.017 0.000 2.759 166 T HA -0.105 4.245 4.350 -0.001 0.000 0.269 166 T C 1.659 176.336 174.700 -0.038 0.000 1.042 166 T CA 1.535 63.623 62.100 -0.020 0.000 1.140 166 T CB -0.169 68.692 68.868 -0.011 0.000 0.864 166 T HN 0.376 nan 8.240 nan 0.000 0.455 167 A N 0.225 123.015 122.820 -0.050 0.000 2.235 167 A HA 0.490 4.810 4.320 -0.001 0.000 0.208 167 A C 1.870 179.409 177.584 -0.074 0.000 1.172 167 A CA 0.840 52.841 52.037 -0.060 0.000 0.786 167 A CB -0.778 18.183 19.000 -0.064 0.000 0.804 167 A HN 0.749 nan 8.150 nan 0.000 0.479 168 G N -1.543 107.204 108.800 -0.090 0.000 2.136 168 G HA2 -0.183 3.777 3.960 -0.001 0.000 0.242 168 G HA3 -0.183 3.777 3.960 -0.001 0.000 0.242 168 G C 0.091 174.850 174.900 -0.235 0.000 0.989 168 G CA 0.126 45.143 45.100 -0.139 0.000 0.682 168 G HN 0.758 nan 8.290 nan 0.000 0.522 169 V N 2.605 122.408 119.914 -0.185 0.000 2.546 169 V HA 0.382 4.502 4.120 -0.001 0.000 0.284 169 V C 0.792 176.762 176.094 -0.206 0.000 1.050 169 V CA -1.091 61.091 62.300 -0.196 0.000 0.981 169 V CB 1.154 32.928 31.823 -0.081 0.000 0.990 169 V HN 0.349 nan 8.190 nan 0.000 0.474 170 H N 3.133 122.196 119.070 -0.012 0.000 2.683 170 H HA 0.414 4.970 4.556 -0.001 0.000 0.339 170 H C -0.480 174.838 175.328 -0.018 0.000 1.081 170 H CA -0.115 55.923 56.048 -0.016 0.000 1.432 170 H CB 1.401 31.154 29.762 -0.017 0.000 1.462 170 H HN 0.363 nan 8.280 nan 0.000 0.557 171 V N 3.016 122.986 119.914 0.092 0.000 2.577 171 V HA 0.203 4.322 4.120 -0.001 0.000 0.303 171 V C 0.039 176.138 176.094 0.008 0.000 1.042 171 V CA -0.674 61.645 62.300 0.033 0.000 0.872 171 V CB 1.958 33.789 31.823 0.012 0.000 0.998 171 V HN 0.732 nan 8.190 nan 0.000 0.423 172 S N 4.495 120.187 115.700 -0.014 0.000 2.578 172 S HA 0.850 5.320 4.470 -0.001 0.000 0.301 172 S C -0.782 173.774 174.600 -0.073 0.000 1.091 172 S CA -0.556 57.617 58.200 -0.046 0.000 1.032 172 S CB 1.812 64.985 63.200 -0.044 0.000 1.064 172 S HN 0.661 nan 8.310 nan 0.000 0.508 173 L N 2.650 123.804 121.223 -0.116 0.000 2.470 173 L HA 0.681 5.021 4.340 -0.001 0.000 0.268 173 L C -1.709 175.043 176.870 -0.197 0.000 0.964 173 L CA -0.533 54.218 54.840 -0.149 0.000 0.839 173 L CB 1.492 43.443 42.059 -0.179 0.000 1.276 173 L HN 0.449 nan 8.230 nan 0.000 0.403 174 V N 3.364 123.183 119.914 -0.157 0.000 2.417 174 V HA 0.594 4.714 4.120 -0.001 0.000 0.291 174 V C -0.682 175.328 176.094 -0.141 0.000 1.024 174 V CA -0.461 61.747 62.300 -0.153 0.000 0.861 174 V CB 1.717 33.484 31.823 -0.093 0.000 0.985 174 V HN 0.724 nan 8.190 nan 0.000 0.436 175 E N 2.464 122.571 120.200 -0.155 0.000 2.246 175 E HA 0.383 4.733 4.350 -0.001 0.000 0.266 175 E C 0.787 177.395 176.600 0.013 0.000 0.880 175 E CA -0.033 56.326 56.400 -0.069 0.000 0.762 175 E CB 2.121 31.783 29.700 -0.064 0.000 1.180 175 E HN 0.717 nan 8.360 nan 0.000 0.416 176 T N 1.385 115.955 114.554 0.028 0.000 2.821 176 T HA -0.048 4.301 4.350 -0.001 0.000 0.267 176 T C 0.736 175.482 174.700 0.076 0.000 1.046 176 T CA 0.675 62.800 62.100 0.041 0.000 1.139 176 T CB -0.040 68.843 68.868 0.025 0.000 0.871 176 T HN 0.325 nan 8.240 nan 0.000 0.454 177 Q N 1.651 121.511 119.800 0.100 0.000 2.317 177 Q HA 0.266 4.606 4.340 -0.001 0.000 0.229 177 Q C -1.791 174.315 176.000 0.176 0.000 0.984 177 Q CA -2.378 53.491 55.803 0.110 0.000 0.911 177 Q CB 0.638 29.432 28.738 0.092 0.000 1.217 177 Q HN 0.208 nan 8.270 nan 0.000 0.501 178 P HA 0.016 nan 4.420 nan 0.000 0.245 178 P C -0.163 177.032 177.300 -0.175 0.000 1.212 178 P CA 0.864 63.976 63.100 0.020 0.000 0.774 178 P CB 0.735 32.415 31.700 -0.033 0.000 0.999 179 R N -0.819 119.680 120.500 -0.002 0.000 2.808 179 R HA 0.526 4.866 4.340 -0.001 0.000 0.272 179 R C -0.059 176.385 176.300 0.241 0.000 0.995 179 R CA -1.169 54.913 56.100 -0.031 0.000 0.917 179 R CB 1.666 31.948 30.300 -0.030 0.000 1.217 179 R HN -0.038 nan 8.270 nan 0.000 0.471 180 L N 2.252 123.660 121.223 0.308 0.000 2.466 180 L HA 0.251 4.590 4.340 -0.001 0.000 0.257 180 L C 0.857 177.816 176.870 0.148 0.000 1.189 180 L CA -0.012 54.975 54.840 0.246 0.000 0.813 180 L CB 0.208 42.412 42.059 0.243 0.000 1.118 180 L HN 0.750 nan 8.230 nan 0.000 0.471 181 M N 0.406 120.070 119.600 0.106 0.000 2.302 181 M HA -0.237 4.242 4.480 -0.001 0.000 0.200 181 M C 1.311 177.662 176.300 0.086 0.000 0.366 181 M CA 0.691 56.044 55.300 0.088 0.000 0.440 181 M CB -1.269 31.407 32.600 0.127 0.000 1.475 181 M HN 0.850 nan 8.290 nan 0.000 0.905 182 S N -0.896 114.847 115.700 0.072 0.000 2.419 182 S HA -0.144 4.326 4.470 -0.001 0.000 0.233 182 S C 2.067 176.699 174.600 0.054 0.000 1.016 182 S CA 1.243 59.482 58.200 0.065 0.000 0.974 182 S CB -0.352 62.883 63.200 0.058 0.000 0.786 182 S HN 0.787 nan 8.310 nan 0.000 0.492 183 R N 1.408 121.930 120.500 0.036 0.000 2.073 183 R HA 0.551 4.891 4.340 -0.001 0.000 0.229 183 R C 1.944 178.267 176.300 0.039 0.000 1.120 183 R CA 1.471 57.583 56.100 0.019 0.000 0.967 183 R CB -1.373 28.914 30.300 -0.022 0.000 0.862 183 R HN 1.017 nan 8.270 nan 0.000 0.436 184 A N -1.428 121.432 122.820 0.066 0.000 2.709 184 A HA 0.711 5.031 4.320 -0.001 0.000 0.241 184 A C 0.082 177.821 177.584 0.257 0.000 0.879 184 A CA 0.343 52.465 52.037 0.142 0.000 1.120 184 A CB -0.138 18.925 19.000 0.105 0.000 1.226 184 A HN 1.235 nan 8.150 nan 0.000 0.468 185 A N 0.616 123.554 122.820 0.196 0.000 2.414 185 A HA 0.855 5.175 4.320 -0.001 0.000 0.306 185 A C -3.230 174.444 177.584 0.150 0.000 1.054 185 A CA -1.716 50.445 52.037 0.206 0.000 0.724 185 A CB 0.968 20.097 19.000 0.215 0.000 1.267 185 A HN 0.106 nan 8.150 nan 0.000 0.418 186 P HA 0.235 nan 4.420 nan 0.000 0.268 186 P C 0.982 178.350 177.300 0.114 0.000 1.205 186 P CA 0.528 63.698 63.100 0.117 0.000 0.771 186 P CB 0.921 32.693 31.700 0.119 0.000 0.858 187 A N 2.973 125.844 122.820 0.085 0.000 1.948 187 A HA -0.195 4.125 4.320 -0.001 0.000 0.220 187 A C 2.030 179.663 177.584 0.082 0.000 1.177 187 A CA 2.349 54.428 52.037 0.071 0.000 0.636 187 A CB -1.829 17.196 19.000 0.042 0.000 0.815 187 A HN 0.544 nan 8.150 nan 0.000 0.449 188 T N -0.053 114.549 114.554 0.080 0.000 2.720 188 T HA -0.153 4.196 4.350 -0.001 0.000 0.268 188 T C 1.822 176.613 174.700 0.151 0.000 1.037 188 T CA 1.565 63.709 62.100 0.073 0.000 1.144 188 T CB -0.359 68.529 68.868 0.033 0.000 0.864 188 T HN 0.369 nan 8.240 nan 0.000 0.444 189 L N 1.461 122.810 121.223 0.210 0.000 2.027 189 L HA 0.119 4.459 4.340 -0.001 0.000 0.206 189 L C 2.635 179.689 176.870 0.307 0.000 1.074 189 L CA 1.980 57.011 54.840 0.317 0.000 0.745 189 L CB -1.116 41.100 42.059 0.261 0.000 0.898 189 L HN 0.207 nan 8.230 nan 0.000 0.433 190 A N -0.699 122.249 122.820 0.214 0.000 1.908 190 A HA -0.239 4.080 4.320 -0.001 0.000 0.218 190 A C 1.992 179.677 177.584 0.169 0.000 1.181 190 A CA 2.000 54.148 52.037 0.185 0.000 0.627 190 A CB -0.909 18.170 19.000 0.132 0.000 0.818 190 A HN 0.569 nan 8.150 nan 0.000 0.445 191 D N -1.186 119.297 120.400 0.137 0.000 2.117 191 D HA -0.124 4.516 4.640 -0.001 0.000 0.197 191 D C 1.619 178.019 176.300 0.166 0.000 0.987 191 D CA 1.273 55.331 54.000 0.097 0.000 0.829 191 D CB -0.481 40.357 40.800 0.063 0.000 0.961 191 D HN 0.478 nan 8.370 nan 0.000 0.460 192 F N 1.484 121.492 119.950 0.097 0.000 2.134 192 F HA -0.193 4.334 4.527 -0.001 0.000 0.299 192 F C 2.165 178.091 175.800 0.210 0.000 1.097 192 F CA 0.949 59.030 58.000 0.134 0.000 1.264 192 F CB -0.312 38.782 39.000 0.156 0.000 1.001 192 F HN -0.222 nan 8.300 nan 0.000 0.479 193 V N 0.611 120.648 119.914 0.205 0.000 2.392 193 V HA -0.319 3.801 4.120 -0.001 0.000 0.249 193 V C 2.744 178.985 176.094 0.246 0.000 1.059 193 V CA 1.747 64.160 62.300 0.187 0.000 1.051 193 V CB -1.575 30.431 31.823 0.305 0.000 0.658 193 V HN 0.504 nan 8.190 nan 0.000 0.455 194 A N -0.110 122.841 122.820 0.217 0.000 1.902 194 A HA -0.222 4.097 4.320 -0.001 0.000 0.217 194 A C 2.381 180.050 177.584 0.141 0.000 1.181 194 A CA 1.770 53.959 52.037 0.253 0.000 0.623 194 A CB -0.495 18.668 19.000 0.270 0.000 0.818 194 A HN 0.495 nan 8.150 nan 0.000 0.443 195 R N -2.143 118.372 120.500 0.025 0.000 2.091 195 R HA -0.178 4.161 4.340 -0.001 0.000 0.238 195 R C 2.172 178.404 176.300 -0.113 0.000 1.136 195 R CA 1.780 57.853 56.100 -0.045 0.000 0.959 195 R CB -0.575 29.682 30.300 -0.071 0.000 0.856 195 R HN 0.721 nan 8.270 nan 0.000 0.437 196 Y N 1.055 121.146 120.300 -0.350 0.000 2.114 196 Y HA -0.271 4.278 4.550 -0.001 0.000 0.284 196 Y C 2.383 178.139 175.900 -0.239 0.000 1.143 196 Y CA 1.675 59.553 58.100 -0.371 0.000 1.135 196 Y CB -0.368 37.772 38.460 -0.533 0.000 0.980 196 Y HN 0.123 nan 8.280 nan 0.000 0.499 197 H N -0.470 118.527 119.070 -0.122 0.000 2.353 197 H HA -0.102 4.453 4.556 -0.001 0.000 0.300 197 H C 2.332 177.561 175.328 -0.166 0.000 1.090 197 H CA 1.290 57.245 56.048 -0.155 0.000 1.327 197 H CB -0.593 29.178 29.762 0.016 0.000 1.383 197 H HN 0.527 nan 8.280 nan 0.000 0.508 198 A N 1.249 124.076 122.820 0.011 0.000 1.902 198 A HA -0.090 4.229 4.320 -0.001 0.000 0.217 198 A C 2.685 180.221 177.584 -0.080 0.000 1.181 198 A CA 1.600 53.630 52.037 -0.011 0.000 0.623 198 A CB -0.746 18.273 19.000 0.030 0.000 0.818 198 A HN 0.431 nan 8.150 nan 0.000 0.443 199 A N -1.352 121.378 122.820 -0.150 0.000 2.019 199 A HA -0.119 4.200 4.320 -0.001 0.000 0.219 199 A C 1.872 179.331 177.584 -0.208 0.000 1.164 199 A CA 1.456 53.392 52.037 -0.167 0.000 0.644 199 A CB -0.262 18.628 19.000 -0.182 0.000 0.805 199 A HN 0.470 nan 8.150 nan 0.000 0.449 200 Q N -1.471 118.146 119.800 -0.305 0.000 2.360 200 Q HA 0.214 4.553 4.340 -0.001 0.000 0.202 200 Q C 1.119 177.047 176.000 -0.120 0.000 0.915 200 Q CA 0.742 56.387 55.803 -0.264 0.000 0.943 200 Q CB 0.314 28.798 28.738 -0.423 0.000 1.064 200 Q HN 0.961 nan 8.270 nan 0.000 0.511 201 G N -0.076 108.677 108.800 -0.079 0.000 2.179 201 G HA2 -0.233 3.726 3.960 -0.001 0.000 0.220 201 G HA3 -0.233 3.726 3.960 -0.001 0.000 0.220 201 G C 0.162 175.061 174.900 -0.002 0.000 0.990 201 G CA 0.069 45.154 45.100 -0.025 0.000 0.646 201 G HN 0.206 nan 8.290 nan 0.000 0.517 202 V N 1.667 121.580 119.914 -0.001 0.000 2.521 202 V HA 0.368 4.487 4.120 -0.001 0.000 0.286 202 V C 0.512 176.600 176.094 -0.011 0.000 1.034 202 V CA 0.114 62.419 62.300 0.008 0.000 1.045 202 V CB 1.609 33.452 31.823 0.034 0.000 0.974 202 V HN 0.355 nan 8.190 nan 0.000 0.480 203 D N 5.528 125.913 120.400 -0.025 0.000 2.422 203 D HA 0.256 4.896 4.640 -0.001 0.000 0.227 203 D C -0.305 175.943 176.300 -0.086 0.000 1.190 203 D CA -0.076 53.900 54.000 -0.040 0.000 0.905 203 D CB 0.247 41.026 40.800 -0.035 0.000 1.034 203 D HN 0.410 nan 8.370 nan 0.000 0.507 204 L N 4.444 125.605 121.223 -0.104 0.000 2.292 204 L HA 0.442 4.781 4.340 -0.001 0.000 0.284 204 L C 0.624 177.323 176.870 -0.285 0.000 1.065 204 L CA -0.687 53.997 54.840 -0.260 0.000 0.806 204 L CB 0.923 42.822 42.059 -0.266 0.000 1.175 204 L HN 0.071 nan 8.230 nan 0.000 0.431 205 R N 4.276 124.542 120.500 -0.390 0.000 2.358 205 R HA 0.420 4.759 4.340 -0.001 0.000 0.309 205 R C -1.042 175.062 176.300 -0.327 0.000 1.026 205 R CA -0.440 55.514 56.100 -0.243 0.000 0.909 205 R CB 0.876 31.096 30.300 -0.132 0.000 1.153 205 R HN 0.316 nan 8.270 nan 0.000 0.515 206 F N 0.885 120.834 119.950 -0.002 0.000 2.377 206 F HA 0.172 4.699 4.527 -0.001 0.000 0.328 206 F C 1.170 176.971 175.800 0.001 0.000 1.094 206 F CA -0.361 57.640 58.000 0.001 0.000 1.093 206 F CB 0.812 39.816 39.000 0.006 0.000 1.214 206 F HN 0.499 nan 8.300 nan 0.000 0.518 207 E N 0.780 121.109 120.200 0.215 0.000 2.360 207 E HA -0.237 4.113 4.350 -0.001 0.000 0.238 207 E C -0.724 175.914 176.600 0.063 0.000 1.186 207 E CA 0.143 56.611 56.400 0.113 0.000 0.719 207 E CB -0.972 28.787 29.700 0.098 0.000 1.236 207 E HN 0.318 nan 8.360 nan 0.000 0.386 208 R N -0.046 120.476 120.500 0.037 0.000 2.744 208 R HA 0.615 4.955 4.340 -0.001 0.000 0.279 208 R C -0.448 175.850 176.300 -0.004 0.000 0.977 208 R CA -0.799 55.306 56.100 0.007 0.000 0.906 208 R CB 2.229 32.522 30.300 -0.013 0.000 1.197 208 R HN -0.032 nan 8.270 nan 0.000 0.463 209 S N 0.147 115.843 115.700 -0.006 0.000 2.570 209 S HA 0.444 4.913 4.470 -0.001 0.000 0.286 209 S C -0.533 174.058 174.600 -0.015 0.000 1.099 209 S CA -0.730 57.464 58.200 -0.010 0.000 0.913 209 S CB 2.553 65.751 63.200 -0.003 0.000 1.085 209 S HN 0.238 nan 8.310 nan 0.000 0.480 210 V N 2.876 122.779 119.914 -0.019 0.000 2.488 210 V HA 0.222 4.342 4.120 -0.001 0.000 0.277 210 V C 1.478 177.562 176.094 -0.016 0.000 1.046 210 V CA 0.212 62.500 62.300 -0.021 0.000 0.986 210 V CB 0.845 32.653 31.823 -0.026 0.000 0.989 210 V HN 1.168 nan 8.190 nan 0.000 0.475 211 T N 0.709 115.254 114.554 -0.015 0.000 3.014 211 T HA 0.528 4.877 4.350 -0.001 0.000 0.250 211 T C 0.697 175.389 174.700 -0.013 0.000 1.060 211 T CA 0.455 62.548 62.100 -0.012 0.000 1.040 211 T CB 0.596 69.458 68.868 -0.010 0.000 0.971 211 T HN 1.175 nan 8.240 nan 0.000 0.497 212 G N 0.625 109.415 108.800 -0.017 0.000 2.323 212 G HA2 0.462 4.421 3.960 -0.001 0.000 0.291 212 G HA3 0.462 4.421 3.960 -0.001 0.000 0.291 212 G C -1.557 173.330 174.900 -0.021 0.000 1.278 212 G CA -0.266 44.824 45.100 -0.017 0.000 0.860 212 G HN 1.047 nan 8.290 nan 0.000 0.504 213 S N -1.953 113.735 115.700 -0.020 0.000 2.547 213 S HA 0.793 5.263 4.470 -0.001 0.000 0.270 213 S C -1.494 173.095 174.600 -0.019 0.000 1.150 213 S CA -0.568 57.618 58.200 -0.022 0.000 0.850 213 S CB 1.928 65.111 63.200 -0.028 0.000 1.118 213 S HN 1.693 nan 8.310 nan 0.000 0.461 214 V N 1.543 121.446 119.914 -0.019 0.000 2.668 214 V HA 0.504 4.623 4.120 -0.001 0.000 0.304 214 V C -0.556 175.528 176.094 -0.016 0.000 1.071 214 V CA -0.453 61.838 62.300 -0.016 0.000 0.894 214 V CB 1.417 33.232 31.823 -0.014 0.000 1.008 214 V HN 1.209 nan 8.190 nan 0.000 0.425 215 D N 3.838 124.228 120.400 -0.015 0.000 2.755 215 D HA -0.152 4.487 4.640 -0.001 0.000 0.227 215 D C 1.232 177.523 176.300 -0.015 0.000 1.211 215 D CA 2.317 56.309 54.000 -0.014 0.000 0.663 215 D CB -0.964 39.829 40.800 -0.011 0.000 0.983 215 D HN 1.723 nan 8.370 nan 0.000 0.407 216 G N -1.408 107.381 108.800 -0.019 0.000 2.143 216 G HA2 -0.200 3.759 3.960 -0.001 0.000 0.249 216 G HA3 -0.200 3.759 3.960 -0.001 0.000 0.249 216 G C 0.230 175.117 174.900 -0.022 0.000 0.981 216 G CA 0.227 45.315 45.100 -0.021 0.000 0.665 216 G HN 0.955 nan 8.290 nan 0.000 0.528 217 V N 0.401 120.302 119.914 -0.022 0.000 2.588 217 V HA 0.652 4.771 4.120 -0.001 0.000 0.304 217 V C 0.410 176.489 176.094 -0.025 0.000 1.042 217 V CA -0.961 61.325 62.300 -0.023 0.000 0.877 217 V CB 2.062 33.873 31.823 -0.020 0.000 0.996 217 V HN 0.247 nan 8.190 nan 0.000 0.425 218 V N 5.771 125.669 119.914 -0.027 0.000 2.567 218 V HA 0.461 4.581 4.120 -0.001 0.000 0.289 218 V C -0.019 176.060 176.094 -0.025 0.000 1.049 218 V CA -0.440 61.843 62.300 -0.028 0.000 0.969 218 V CB 1.586 33.390 31.823 -0.033 0.000 0.995 218 V HN 0.617 nan 8.190 nan 0.000 0.471 219 L N 5.031 126.240 121.223 -0.023 0.000 2.322 219 L HA 0.571 4.910 4.340 -0.001 0.000 0.279 219 L C -0.766 176.093 176.870 -0.019 0.000 1.036 219 L CA -0.646 54.183 54.840 -0.019 0.000 0.807 219 L CB 1.478 43.527 42.059 -0.016 0.000 1.226 219 L HN 0.338 nan 8.230 nan 0.000 0.433 220 L N 1.516 122.729 121.223 -0.017 0.000 2.303 220 L HA 0.319 4.659 4.340 -0.001 0.000 0.266 220 L C 0.718 177.582 176.870 -0.010 0.000 1.011 220 L CA -0.236 54.594 54.840 -0.016 0.000 0.818 220 L CB 1.434 43.482 42.059 -0.018 0.000 1.326 220 L HN 0.621 nan 8.230 nan 0.000 0.435 221 D N -0.996 119.400 120.400 -0.007 0.000 2.363 221 D HA -0.118 4.521 4.640 -0.001 0.000 0.226 221 D C 0.470 176.770 176.300 -0.000 0.000 1.020 221 D CA 0.326 54.324 54.000 -0.003 0.000 0.892 221 D CB -0.244 40.556 40.800 -0.001 0.000 0.900 221 D HN 0.566 nan 8.370 nan 0.000 0.531 222 D N -0.915 119.484 120.400 -0.001 0.000 2.342 222 D HA 0.178 4.818 4.640 -0.001 0.000 0.221 222 D C 1.573 177.872 176.300 -0.002 0.000 1.101 222 D CA 0.186 54.187 54.000 0.001 0.000 0.837 222 D CB -0.313 40.489 40.800 0.004 0.000 0.938 222 D HN 0.233 nan 8.370 nan 0.000 0.508 223 G N 0.107 108.904 108.800 -0.004 0.000 2.143 223 G HA2 -0.263 3.697 3.960 -0.001 0.000 0.249 223 G HA3 -0.263 3.697 3.960 -0.001 0.000 0.249 223 G C 0.460 175.356 174.900 -0.007 0.000 0.981 223 G CA 0.710 45.807 45.100 -0.005 0.000 0.665 223 G HN 0.817 nan 8.290 nan 0.000 0.528 224 T N -2.783 111.766 114.554 -0.009 0.000 2.870 224 T HA 0.850 5.200 4.350 -0.001 0.000 0.277 224 T C -0.014 174.676 174.700 -0.015 0.000 1.000 224 T CA -0.703 61.390 62.100 -0.012 0.000 0.982 224 T CB 2.164 71.025 68.868 -0.012 0.000 1.249 224 T HN 0.467 nan 8.240 nan 0.000 0.589 225 R N -0.582 119.907 120.500 -0.018 0.000 2.725 225 R HA 0.707 5.046 4.340 -0.001 0.000 0.277 225 R C -1.179 175.106 176.300 -0.024 0.000 0.987 225 R CA -0.782 55.306 56.100 -0.020 0.000 0.901 225 R CB 2.120 32.408 30.300 -0.019 0.000 1.207 225 R HN 0.602 nan 8.270 nan 0.000 0.463 226 I N 1.745 122.299 120.570 -0.027 0.000 2.468 226 I HA 0.374 4.544 4.170 -0.001 0.000 0.285 226 I C -0.292 175.808 176.117 -0.028 0.000 1.039 226 I CA -0.827 60.455 61.300 -0.030 0.000 1.074 226 I CB 2.062 40.041 38.000 -0.035 0.000 1.228 226 I HN 0.669 nan 8.210 nan 0.000 0.436 227 A N 5.165 127.969 122.820 -0.027 0.000 2.401 227 A HA 0.869 5.188 4.320 -0.001 0.000 0.259 227 A C -0.056 177.516 177.584 -0.020 0.000 1.103 227 A CA -0.048 51.975 52.037 -0.024 0.000 0.789 227 A CB 0.659 19.645 19.000 -0.023 0.000 1.035 227 A HN 0.882 nan 8.150 nan 0.000 0.491 228 A N 1.397 124.207 122.820 -0.018 0.000 2.606 228 A HA 0.628 4.948 4.320 -0.001 0.000 0.293 228 A C -0.184 177.395 177.584 -0.009 0.000 1.082 228 A CA -0.515 51.515 52.037 -0.011 0.000 0.685 228 A CB 0.865 19.855 19.000 -0.017 0.000 1.284 228 A HN 0.643 nan 8.150 nan 0.000 0.408 229 D N 0.205 120.607 120.400 0.003 0.000 2.305 229 D HA 0.121 4.760 4.640 -0.001 0.000 0.206 229 D C 0.271 176.569 176.300 -0.004 0.000 0.974 229 D CA 1.237 55.239 54.000 0.004 0.000 0.871 229 D CB 0.438 41.249 40.800 0.019 0.000 0.947 229 D HN 0.544 nan 8.370 nan 0.000 0.516 230 M N 0.696 120.290 119.600 -0.010 0.000 2.414 230 M HA 0.258 4.737 4.480 -0.001 0.000 0.287 230 M C -2.316 173.959 176.300 -0.042 0.000 1.181 230 M CA -0.521 54.762 55.300 -0.029 0.000 0.933 230 M CB 2.670 35.291 32.600 0.034 0.000 1.732 230 M HN -0.413 nan 8.290 nan 0.000 0.486 231 V N 4.055 123.914 119.914 -0.092 0.000 2.495 231 V HA 0.620 4.739 4.120 -0.001 0.000 0.298 231 V C -0.776 175.281 176.094 -0.062 0.000 1.031 231 V CA -0.709 61.548 62.300 -0.072 0.000 0.871 231 V CB 1.815 33.589 31.823 -0.082 0.000 0.988 231 V HN 0.663 nan 8.190 nan 0.000 0.432 232 V N 5.325 125.229 119.914 -0.016 0.000 2.409 232 V HA 0.391 4.510 4.120 -0.001 0.000 0.291 232 V C -0.104 175.986 176.094 -0.006 0.000 1.020 232 V CA -0.615 61.694 62.300 0.016 0.000 0.848 232 V CB 1.930 33.779 31.823 0.043 0.000 0.990 232 V HN 0.625 nan 8.190 nan 0.000 0.430 233 V N 4.077 123.988 119.914 -0.003 0.000 2.461 233 V HA 0.643 4.762 4.120 -0.001 0.000 0.275 233 V C 0.928 177.016 176.094 -0.010 0.000 1.047 233 V CA 0.233 62.525 62.300 -0.013 0.000 0.955 233 V CB 1.379 33.193 31.823 -0.014 0.000 0.988 233 V HN 1.009 nan 8.190 nan 0.000 0.471 234 G N 4.623 113.410 108.800 -0.021 0.000 4.370 234 G HA2 0.393 4.352 3.960 -0.001 0.000 0.295 234 G HA3 0.393 4.352 3.960 -0.001 0.000 0.295 234 G C 0.145 175.027 174.900 -0.030 0.000 1.312 234 G CA -0.240 44.845 45.100 -0.025 0.000 0.845 234 G HN 0.855 nan 8.290 nan 0.000 0.531 235 I N -1.173 119.382 120.570 -0.026 0.000 3.891 235 I HA 0.614 4.783 4.170 -0.001 0.000 0.331 235 I C 0.749 176.851 176.117 -0.026 0.000 1.406 235 I CA -0.028 61.258 61.300 -0.024 0.000 1.139 235 I CB 0.172 38.161 38.000 -0.019 0.000 1.056 235 I HN 0.457 nan 8.210 nan 0.000 0.399 236 G N 1.169 109.950 108.800 -0.033 0.000 2.434 236 G HA2 0.136 4.095 3.960 -0.001 0.000 0.671 236 G HA3 0.136 4.095 3.960 -0.001 0.000 0.671 236 G C -0.855 174.024 174.900 -0.036 0.000 1.280 236 G CA -0.442 44.635 45.100 -0.039 0.000 0.975 236 G HN 0.810 nan 8.290 nan 0.000 0.510 237 V N -2.363 117.527 119.914 -0.041 0.000 3.074 237 V HA 0.946 5.066 4.120 -0.001 0.000 0.314 237 V C -0.056 176.015 176.094 -0.038 0.000 1.117 237 V CA -1.277 60.999 62.300 -0.039 0.000 1.014 237 V CB 1.951 33.746 31.823 -0.047 0.000 1.057 237 V HN 1.105 nan 8.190 nan 0.000 0.438 238 L N 2.244 123.445 121.223 -0.036 0.000 2.385 238 L HA 0.822 5.161 4.340 -0.001 0.000 0.273 238 L C 0.611 177.455 176.870 -0.043 0.000 0.990 238 L CA -0.835 53.983 54.840 -0.037 0.000 0.821 238 L CB 1.891 43.933 42.059 -0.029 0.000 1.279 238 L HN 1.054 nan 8.230 nan 0.000 0.412 239 A N 2.410 125.198 122.820 -0.054 0.000 2.540 239 A HA 0.071 4.390 4.320 -0.001 0.000 0.239 239 A C 0.145 177.700 177.584 -0.048 0.000 1.061 239 A CA 0.087 52.088 52.037 -0.061 0.000 0.758 239 A CB -0.331 18.620 19.000 -0.081 0.000 0.991 239 A HN 0.876 nan 8.150 nan 0.000 0.502 240 N N 1.468 120.141 118.700 -0.045 0.000 3.124 240 N HA 0.167 4.907 4.740 -0.001 0.000 0.284 240 N C -0.525 174.968 175.510 -0.028 0.000 1.209 240 N CA -0.007 53.024 53.050 -0.032 0.000 1.149 240 N CB 0.378 38.847 38.487 -0.030 0.000 1.434 240 N HN 0.687 nan 8.380 nan 0.000 0.529 241 D N -0.232 120.150 120.400 -0.029 0.000 2.424 241 D HA 0.098 4.738 4.640 -0.001 0.000 0.220 241 D C 1.287 177.585 176.300 -0.002 0.000 1.150 241 D CA -0.412 53.576 54.000 -0.020 0.000 0.831 241 D CB 0.032 40.805 40.800 -0.045 0.000 0.981 241 D HN 0.225 nan 8.370 nan 0.000 0.500 242 A N 0.501 123.320 122.820 -0.002 0.000 1.902 242 A HA -0.102 4.217 4.320 -0.001 0.000 0.217 242 A C 1.974 179.557 177.584 -0.001 0.000 1.181 242 A CA 0.955 52.989 52.037 -0.005 0.000 0.623 242 A CB -0.576 18.420 19.000 -0.006 0.000 0.818 242 A HN 0.271 nan 8.150 nan 0.000 0.443 243 L N -0.484 120.760 121.223 0.035 0.000 2.046 243 L HA -0.112 4.228 4.340 -0.001 0.000 0.208 243 L C 2.987 179.875 176.870 0.029 0.000 1.077 243 L CA 1.794 56.667 54.840 0.055 0.000 0.747 243 L CB -0.722 41.462 42.059 0.208 0.000 0.896 243 L HN 0.388 nan 8.230 nan 0.000 0.432 244 A N -0.573 122.328 122.820 0.135 0.000 1.902 244 A HA -0.209 4.110 4.320 -0.001 0.000 0.217 244 A C 2.449 180.039 177.584 0.010 0.000 1.181 244 A CA 1.591 53.711 52.037 0.138 0.000 0.623 244 A CB -0.449 18.621 19.000 0.117 0.000 0.818 244 A HN 0.347 nan 8.150 nan 0.000 0.443 245 R N -0.560 119.936 120.500 -0.008 0.000 2.073 245 R HA -0.088 4.252 4.340 -0.001 0.000 0.234 245 R C 2.465 178.729 176.300 -0.061 0.000 1.134 245 R CA 1.288 57.374 56.100 -0.023 0.000 0.952 245 R CB -0.490 29.800 30.300 -0.018 0.000 0.850 245 R HN 0.503 nan 8.270 nan 0.000 0.433 246 A N 1.039 123.803 122.820 -0.093 0.000 1.969 246 A HA -0.040 4.280 4.320 -0.001 0.000 0.218 246 A C 2.167 179.636 177.584 -0.192 0.000 1.169 246 A CA 1.568 53.530 52.037 -0.124 0.000 0.635 246 A CB -0.364 18.562 19.000 -0.124 0.000 0.810 246 A HN 0.394 nan 8.150 nan 0.000 0.445 247 A N -1.984 120.653 122.820 -0.305 0.000 2.238 247 A HA 0.421 4.741 4.320 -0.001 0.000 0.208 247 A C 1.682 179.154 177.584 -0.187 0.000 1.177 247 A CA 1.177 52.970 52.037 -0.408 0.000 0.804 247 A CB -0.744 17.650 19.000 -1.010 0.000 0.823 247 A HN 1.842 nan 8.150 nan 0.000 0.482 248 G N -1.778 106.961 108.800 -0.102 0.000 2.144 248 G HA2 -0.146 3.814 3.960 -0.001 0.000 0.218 248 G HA3 -0.146 3.814 3.960 -0.001 0.000 0.218 248 G C -0.146 174.756 174.900 0.003 0.000 0.988 248 G CA 0.091 45.167 45.100 -0.040 0.000 0.659 248 G HN 0.303 nan 8.290 nan 0.000 0.522 249 L N 1.100 122.339 121.223 0.028 0.000 2.439 249 L HA 0.720 5.060 4.340 -0.001 0.000 0.261 249 L C 1.238 178.157 176.870 0.082 0.000 1.153 249 L CA 0.344 55.225 54.840 0.068 0.000 0.808 249 L CB 0.871 42.992 42.059 0.103 0.000 1.126 249 L HN 0.528 nan 8.230 nan 0.000 0.460 250 A N 1.681 124.573 122.820 0.119 0.000 2.451 250 A HA 0.455 4.774 4.320 -0.001 0.000 0.266 250 A C -0.468 177.303 177.584 0.312 0.000 1.119 250 A CA -0.118 52.045 52.037 0.210 0.000 0.786 250 A CB -0.543 18.579 19.000 0.202 0.000 1.061 250 A HN 0.714 nan 8.150 nan 0.000 0.503 251 C N 1.659 121.101 119.300 0.236 0.000 2.985 251 C HA 0.755 5.214 4.460 -0.001 0.000 0.314 251 C C -0.758 174.252 174.990 0.034 0.000 1.215 251 C CA -0.522 58.507 59.018 0.019 0.000 1.414 251 C CB 2.106 29.838 27.740 -0.013 0.000 1.842 251 C HN 0.923 nan 8.230 nan 0.000 0.477 252 D N 1.636 121.923 120.400 -0.187 0.000 2.445 252 D HA 0.242 4.881 4.640 -0.001 0.000 0.236 252 D C -0.458 175.762 176.300 -0.134 0.000 1.315 252 D CA 0.145 54.113 54.000 -0.053 0.000 0.924 252 D CB 0.331 41.221 40.800 0.150 0.000 1.447 252 D HN 0.716 nan 8.370 nan 0.000 0.532 253 D N 2.659 123.004 120.400 -0.092 0.000 2.735 253 D HA -0.005 4.635 4.640 -0.001 0.000 0.235 253 D C -0.062 176.149 176.300 -0.149 0.000 1.175 253 D CA 2.316 56.261 54.000 -0.091 0.000 0.683 253 D CB -1.034 39.732 40.800 -0.056 0.000 1.008 253 D HN 0.886 nan 8.370 nan 0.000 0.416 254 G N -0.213 108.473 108.800 -0.190 0.000 2.351 254 G HA2 0.188 4.148 3.960 -0.001 0.000 0.472 254 G HA3 0.188 4.148 3.960 -0.001 0.000 0.472 254 G C -0.399 174.294 174.900 -0.346 0.000 1.570 254 G CA -0.521 44.437 45.100 -0.236 0.000 0.921 254 G HN 0.403 nan 8.290 nan 0.000 0.674 255 I N 1.603 122.038 120.570 -0.225 0.000 2.396 255 I HA 0.302 4.472 4.170 -0.001 0.000 0.289 255 I C 0.302 176.330 176.117 -0.149 0.000 1.056 255 I CA -0.405 60.797 61.300 -0.162 0.000 1.365 255 I CB 0.515 38.480 38.000 -0.058 0.000 1.407 255 I HN 0.341 nan 8.210 nan 0.000 0.509 256 F N 6.595 126.588 119.950 0.072 0.000 2.543 256 F HA 0.279 4.805 4.527 -0.001 0.000 0.375 256 F C 0.552 176.431 175.800 0.131 0.000 1.075 256 F CA -0.210 57.875 58.000 0.142 0.000 1.225 256 F CB 0.612 39.648 39.000 0.061 0.000 1.099 256 F HN 0.214 nan 8.300 nan 0.000 0.561 257 V N 0.047 120.189 119.914 0.380 0.000 2.962 257 V HA 0.639 4.758 4.120 -0.001 0.000 0.313 257 V C -0.816 175.446 176.094 0.280 0.000 1.099 257 V CA -1.173 61.266 62.300 0.232 0.000 0.971 257 V CB 1.857 33.744 31.823 0.107 0.000 1.028 257 V HN 0.630 nan 8.190 nan 0.000 0.430 258 D N 2.729 123.231 120.400 0.171 0.000 2.478 258 D HA 0.573 5.212 4.640 -0.001 0.000 0.274 258 D C 1.119 177.425 176.300 0.010 0.000 1.234 258 D CA -0.030 54.033 54.000 0.105 0.000 1.069 258 D CB 0.969 41.786 40.800 0.028 0.000 1.113 258 D HN 0.838 nan 8.370 nan 0.000 0.571 259 A N -1.464 121.273 122.820 -0.139 0.000 2.209 259 A HA -0.041 4.278 4.320 -0.001 0.000 0.212 259 A C 1.327 178.862 177.584 -0.083 0.000 1.158 259 A CA 0.546 52.505 52.037 -0.131 0.000 0.742 259 A CB -1.049 17.807 19.000 -0.240 0.000 0.790 259 A HN 0.598 nan 8.150 nan 0.000 0.472 260 Y N -1.421 118.890 120.300 0.018 0.000 2.457 260 Y HA 0.318 4.867 4.550 -0.001 0.000 0.263 260 Y C 1.850 177.877 175.900 0.211 0.000 1.164 260 Y CA 0.049 58.159 58.100 0.017 0.000 1.274 260 Y CB 0.368 38.812 38.460 -0.027 0.000 1.097 260 Y HN 0.438 nan 8.280 nan 0.000 0.523 261 G N 1.335 110.294 108.800 0.265 0.000 2.162 261 G HA2 -0.303 3.656 3.960 -0.001 0.000 0.260 261 G HA3 -0.303 3.656 3.960 -0.001 0.000 0.260 261 G C 0.160 175.163 174.900 0.171 0.000 0.976 261 G CA -0.372 44.874 45.100 0.243 0.000 0.655 261 G HN 0.331 nan 8.290 nan 0.000 0.533 262 R N 1.327 121.853 120.500 0.043 0.000 2.389 262 R HA 0.467 4.807 4.340 -0.001 0.000 0.295 262 R C 1.362 177.591 176.300 -0.118 0.000 1.075 262 R CA 0.515 56.447 56.100 -0.279 0.000 1.005 262 R CB 0.556 30.756 30.300 -0.166 0.000 0.987 262 R HN 0.443 nan 8.270 nan 0.000 0.452 263 T N -1.867 112.587 114.554 -0.167 0.000 2.814 263 T HA 0.032 4.381 4.350 -0.001 0.000 0.284 263 T C 1.542 176.226 174.700 -0.026 0.000 0.998 263 T CA -0.203 61.873 62.100 -0.039 0.000 0.935 263 T CB 0.989 69.840 68.868 -0.028 0.000 1.167 263 T HN 0.668 nan 8.240 nan 0.000 0.545 264 T N -2.628 111.940 114.554 0.023 0.000 3.160 264 T HA 0.078 4.428 4.350 -0.001 0.000 0.257 264 T C 0.853 175.560 174.700 0.012 0.000 1.147 264 T CA -0.228 61.881 62.100 0.015 0.000 1.064 264 T CB -1.040 67.843 68.868 0.025 0.000 0.949 264 T HN 0.681 nan 8.240 nan 0.000 0.526 265 C N 3.508 122.816 119.300 0.014 0.000 2.255 265 C HA 0.581 5.041 4.460 -0.001 0.000 0.326 265 C C -2.547 172.447 174.990 0.007 0.000 1.258 265 C CA -2.675 56.364 59.018 0.035 0.000 1.676 265 C CB 0.122 27.920 27.740 0.096 0.000 2.314 265 C HN 0.284 nan 8.230 nan 0.000 0.509 266 P HA 0.154 nan 4.420 nan 0.000 0.265 266 P C 0.089 177.447 177.300 0.096 0.000 1.187 266 P CA 1.160 64.286 63.100 0.043 0.000 0.766 266 P CB 0.318 32.065 31.700 0.078 0.000 0.820 267 D N -0.860 119.604 120.400 0.107 0.000 3.028 267 D HA -0.120 4.519 4.640 -0.001 0.000 0.207 267 D C -0.508 175.904 176.300 0.186 0.000 1.100 267 D CA 0.831 54.980 54.000 0.249 0.000 0.995 267 D CB -1.502 39.539 40.800 0.401 0.000 1.108 267 D HN 0.137 nan 8.370 nan 0.000 0.421 268 V N 1.087 120.987 119.914 -0.023 0.000 2.448 268 V HA 0.510 4.629 4.120 -0.001 0.000 0.295 268 V C -0.139 175.809 176.094 -0.243 0.000 1.025 268 V CA -0.705 61.523 62.300 -0.120 0.000 0.859 268 V CB 1.514 33.243 31.823 -0.156 0.000 0.988 268 V HN -0.041 nan 8.190 nan 0.000 0.431 269 Y N 2.042 122.241 120.300 -0.167 0.000 2.621 269 Y HA 0.884 5.433 4.550 -0.001 0.000 0.334 269 Y C 0.367 176.145 175.900 -0.203 0.000 1.074 269 Y CA -0.737 57.278 58.100 -0.142 0.000 1.149 269 Y CB 2.185 40.551 38.460 -0.157 0.000 1.302 269 Y HN 0.753 nan 8.280 nan 0.000 0.501 270 A N 1.425 124.234 122.820 -0.018 0.000 2.572 270 A HA 0.917 5.236 4.320 -0.001 0.000 0.295 270 A C -2.017 175.500 177.584 -0.112 0.000 1.072 270 A CA -0.695 51.280 52.037 -0.103 0.000 0.691 270 A CB 1.276 20.228 19.000 -0.080 0.000 1.291 270 A HN 0.711 nan 8.150 nan 0.000 0.404 271 L N -0.894 120.231 121.223 -0.165 0.000 2.540 271 L HA 0.990 5.329 4.340 -0.001 0.000 0.256 271 L C 0.507 177.281 176.870 -0.160 0.000 1.001 271 L CA 0.082 54.818 54.840 -0.173 0.000 0.843 271 L CB 1.171 43.099 42.059 -0.218 0.000 1.436 271 L HN 2.441 nan 8.230 nan 0.000 0.410 272 G N 0.586 109.290 108.800 -0.159 0.000 2.512 272 G HA2 -0.243 3.717 3.960 -0.001 0.000 0.240 272 G HA3 -0.243 3.717 3.960 -0.001 0.000 0.240 272 G C 0.111 174.943 174.900 -0.113 0.000 1.246 272 G CA 0.528 45.542 45.100 -0.142 0.000 0.919 272 G HN 0.833 nan 8.290 nan 0.000 0.577 273 D N -0.561 119.776 120.400 -0.105 0.000 2.265 273 D HA 0.003 4.643 4.640 -0.001 0.000 0.208 273 D C 2.387 178.634 176.300 -0.088 0.000 0.977 273 D CA 1.289 55.235 54.000 -0.090 0.000 0.871 273 D CB -0.042 40.707 40.800 -0.085 0.000 0.925 273 D HN 0.473 nan 8.370 nan 0.000 0.485 274 V N 0.393 120.251 119.914 -0.093 0.000 3.217 274 V HA -0.040 4.080 4.120 -0.001 0.000 0.264 274 V C 0.830 176.863 176.094 -0.101 0.000 1.135 274 V CA 1.261 63.507 62.300 -0.091 0.000 1.142 274 V CB -0.384 31.387 31.823 -0.086 0.000 0.754 274 V HN 0.293 nan 8.190 nan 0.000 0.484 275 T N -0.750 113.745 114.554 -0.097 0.000 2.928 275 T HA 0.467 4.817 4.350 -0.001 0.000 0.284 275 T C -0.221 174.421 174.700 -0.097 0.000 1.008 275 T CA -0.722 61.324 62.100 -0.091 0.000 1.057 275 T CB 1.643 70.472 68.868 -0.066 0.000 1.018 275 T HN 0.380 nan 8.240 nan 0.000 0.493 276 R N 1.913 122.349 120.500 -0.105 0.000 2.343 276 R HA 0.459 4.798 4.340 -0.001 0.000 0.320 276 R C -0.484 175.880 176.300 0.107 0.000 0.956 276 R CA -0.504 55.571 56.100 -0.040 0.000 0.836 276 R CB 0.782 30.939 30.300 -0.237 0.000 1.151 276 R HN 0.956 nan 8.270 nan 0.000 0.450 277 Q N 2.620 122.311 119.800 -0.181 0.000 2.511 277 Q HA 0.358 4.697 4.340 -0.001 0.000 0.289 277 Q C -1.256 174.038 176.000 -1.175 0.000 1.021 277 Q CA -1.243 54.142 55.803 -0.697 0.000 0.785 277 Q CB 1.530 30.114 28.738 -0.256 0.000 1.472 277 Q HN 0.421 nan 8.270 nan 0.000 0.411 278 R N 1.524 121.188 120.500 -1.393 0.000 2.449 278 R HA 0.088 4.427 4.340 -0.001 0.000 0.296 278 R C -0.625 175.483 176.300 -0.319 0.000 1.047 278 R CA -0.121 55.522 56.100 -0.762 0.000 1.018 278 R CB 0.438 30.503 30.300 -0.392 0.000 0.962 278 R HN 0.633 nan 8.270 nan 0.000 0.428 279 N N 6.390 124.984 118.700 -0.176 0.000 2.406 279 N HA 0.098 4.838 4.740 -0.001 0.000 0.251 279 N C -1.920 173.553 175.510 -0.062 0.000 1.069 279 N CA -2.156 50.843 53.050 -0.085 0.000 0.947 279 N CB 1.478 39.949 38.487 -0.026 0.000 1.111 279 N HN 0.419 nan 8.380 nan 0.000 0.497 280 P HA -0.071 nan 4.420 nan 0.000 0.223 280 P C 1.468 178.753 177.300 -0.025 0.000 1.151 280 P CA 0.776 63.841 63.100 -0.058 0.000 0.787 280 P CB 0.586 32.234 31.700 -0.087 0.000 0.788 281 L N 0.100 121.315 121.223 -0.012 0.000 2.095 281 L HA -0.089 4.251 4.340 -0.001 0.000 0.204 281 L C 2.679 179.558 176.870 0.016 0.000 1.080 281 L CA 1.989 56.833 54.840 0.006 0.000 0.759 281 L CB -0.847 41.224 42.059 0.020 0.000 0.914 281 L HN 0.093 nan 8.230 nan 0.000 0.439 282 S N -0.969 114.744 115.700 0.022 0.000 2.478 282 S HA 0.078 4.547 4.470 -0.001 0.000 0.222 282 S C 1.652 176.273 174.600 0.036 0.000 1.008 282 S CA 0.455 58.674 58.200 0.032 0.000 0.928 282 S CB 0.234 63.459 63.200 0.042 0.000 0.781 282 S HN 0.487 nan 8.310 nan 0.000 0.518 283 G N 1.738 110.556 108.800 0.030 0.000 2.168 283 G HA2 -0.225 3.734 3.960 -0.001 0.000 0.257 283 G HA3 -0.225 3.734 3.960 -0.001 0.000 0.257 283 G C 0.016 174.972 174.900 0.094 0.000 0.997 283 G CA 0.250 45.378 45.100 0.047 0.000 0.708 283 G HN 0.550 nan 8.290 nan 0.000 0.520 284 R N -1.054 119.506 120.500 0.100 0.000 2.832 284 R HA 0.675 5.014 4.340 -0.001 0.000 0.271 284 R C -0.303 176.127 176.300 0.216 0.000 0.996 284 R CA -1.312 54.891 56.100 0.171 0.000 0.977 284 R CB 0.519 30.893 30.300 0.123 0.000 1.168 284 R HN 0.026 nan 8.270 nan 0.000 0.482 285 F N 0.989 120.978 119.950 0.065 0.000 2.443 285 F HA 0.242 4.769 4.527 -0.001 0.000 0.353 285 F C 0.956 176.807 175.800 0.085 0.000 1.101 285 F CA 0.390 58.450 58.000 0.099 0.000 1.226 285 F CB 0.679 39.788 39.000 0.181 0.000 1.140 285 F HN 0.391 nan 8.300 nan 0.000 0.557 286 E N 2.451 122.714 120.200 0.105 0.000 2.392 286 E HA 0.300 4.650 4.350 -0.001 0.000 0.279 286 E C -1.390 175.213 176.600 0.005 0.000 0.964 286 E CA -1.019 55.415 56.400 0.057 0.000 0.777 286 E CB 1.598 31.311 29.700 0.022 0.000 1.249 286 E HN 0.602 nan 8.360 nan 0.000 0.449 287 R N 4.694 125.191 120.500 -0.005 0.000 2.196 287 R HA 0.355 4.695 4.340 -0.001 0.000 0.340 287 R C -0.519 175.757 176.300 -0.039 0.000 1.043 287 R CA -0.311 55.765 56.100 -0.040 0.000 0.883 287 R CB 0.231 30.496 30.300 -0.058 0.000 1.078 287 R HN 0.442 nan 8.270 nan 0.000 0.462 288 I N 3.971 124.517 120.570 -0.040 0.000 2.474 288 I HA 0.066 4.235 4.170 -0.001 0.000 0.287 288 I C 0.511 176.593 176.117 -0.058 0.000 1.048 288 I CA 0.200 61.480 61.300 -0.033 0.000 1.383 288 I CB 1.442 39.441 38.000 -0.002 0.000 1.412 288 I HN 0.639 nan 8.210 nan 0.000 0.531 289 E N 3.994 124.147 120.200 -0.078 0.000 2.989 289 E HA 0.124 4.473 4.350 -0.001 0.000 0.207 289 E C -0.569 175.960 176.600 -0.119 0.000 0.989 289 E CA -0.225 56.113 56.400 -0.102 0.000 1.186 289 E CB 0.751 30.378 29.700 -0.121 0.000 1.141 289 E HN 0.736 nan 8.360 nan 0.000 0.454 290 T N -3.803 110.698 114.554 -0.088 0.000 2.912 290 T HA 0.182 4.532 4.350 -0.001 0.000 0.288 290 T C 0.402 175.101 174.700 -0.002 0.000 1.030 290 T CA -0.875 61.181 62.100 -0.073 0.000 1.020 290 T CB 1.610 70.440 68.868 -0.064 0.000 1.056 290 T HN 0.311 nan 8.240 nan 0.000 0.480 291 W N 2.027 123.229 121.300 -0.163 0.000 2.335 291 W HA -0.180 4.480 4.660 -0.001 0.000 0.311 291 W C 2.556 179.047 176.519 -0.047 0.000 1.213 291 W CA 2.579 59.894 57.345 -0.050 0.000 1.274 291 W CB -0.347 29.174 29.460 0.101 0.000 1.148 291 W HN 0.878 nan 8.180 nan 0.000 0.498 292 S N -0.284 115.529 115.700 0.187 0.000 2.382 292 S HA -0.280 4.190 4.470 -0.001 0.000 0.228 292 S C 1.647 176.219 174.600 -0.047 0.000 1.027 292 S CA 1.524 59.726 58.200 0.002 0.000 0.991 292 S CB -1.090 61.840 63.200 -0.449 0.000 0.823 292 S HN 0.517 nan 8.310 nan 0.000 0.469 293 N N 2.427 121.102 118.700 -0.041 0.000 2.142 293 N HA 0.011 4.750 4.740 -0.001 0.000 0.186 293 N C 1.834 177.265 175.510 -0.133 0.000 1.023 293 N CA 1.527 54.580 53.050 0.005 0.000 0.852 293 N CB -0.746 37.756 38.487 0.025 0.000 0.998 293 N HN 0.493 nan 8.380 nan 0.000 0.424 294 A N 0.329 123.041 122.820 -0.180 0.000 1.883 294 A HA -0.250 4.070 4.320 -0.001 0.000 0.217 294 A C 2.199 179.618 177.584 -0.275 0.000 1.186 294 A CA 1.841 53.740 52.037 -0.229 0.000 0.624 294 A CB -1.043 17.813 19.000 -0.240 0.000 0.822 294 A HN 0.603 nan 8.150 nan 0.000 0.444 295 Q N -0.721 118.847 119.800 -0.387 0.000 2.046 295 Q HA -0.195 4.145 4.340 -0.001 0.000 0.200 295 Q C 1.781 177.669 176.000 -0.187 0.000 0.975 295 Q CA 1.725 57.316 55.803 -0.352 0.000 0.836 295 Q CB -0.159 28.225 28.738 -0.589 0.000 0.896 295 Q HN 0.650 nan 8.270 nan 0.000 0.428 296 N N 0.323 118.953 118.700 -0.117 0.000 2.216 296 N HA -0.164 4.575 4.740 -0.001 0.000 0.183 296 N C 1.584 176.965 175.510 -0.215 0.000 1.017 296 N CA 1.117 54.176 53.050 0.017 0.000 0.861 296 N CB -0.248 38.413 38.487 0.290 0.000 0.986 296 N HN 0.374 nan 8.380 nan 0.000 0.428 297 Q N 0.369 119.815 119.800 -0.590 0.000 2.079 297 Q HA -0.041 4.299 4.340 -0.001 0.000 0.200 297 Q C 1.922 177.683 176.000 -0.400 0.000 0.974 297 Q CA 1.499 56.680 55.803 -1.036 0.000 0.840 297 Q CB -0.274 27.915 28.738 -0.914 0.000 0.898 297 Q HN 0.341 nan 8.270 nan 0.000 0.430 298 G N 1.237 109.907 108.800 -0.216 0.000 2.446 298 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.217 298 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.217 298 G C 1.398 176.342 174.900 0.072 0.000 1.168 298 G CA 0.998 46.092 45.100 -0.010 0.000 0.771 298 G HN 0.364 nan 8.290 nan 0.000 0.551 299 I N 1.334 121.895 120.570 -0.014 0.000 2.179 299 I HA -0.175 3.995 4.170 -0.001 0.000 0.242 299 I C 3.301 179.436 176.117 0.030 0.000 1.088 299 I CA 1.033 62.333 61.300 0.001 0.000 1.357 299 I CB -0.222 37.782 38.000 0.007 0.000 1.051 299 I HN 0.252 nan 8.210 nan 0.000 0.409 300 A N 0.283 123.126 122.820 0.038 0.000 1.902 300 A HA -0.138 4.182 4.320 -0.001 0.000 0.217 300 A C 2.419 180.087 177.584 0.141 0.000 1.181 300 A CA 1.662 53.770 52.037 0.118 0.000 0.623 300 A CB -0.898 18.233 19.000 0.220 0.000 0.818 300 A HN 0.244 nan 8.150 nan 0.000 0.443 301 V N -0.191 119.794 119.914 0.117 0.000 2.358 301 V HA -0.216 3.903 4.120 -0.001 0.000 0.246 301 V C 3.056 179.266 176.094 0.192 0.000 1.047 301 V CA 1.843 64.258 62.300 0.193 0.000 1.035 301 V CB -1.229 30.690 31.823 0.161 0.000 0.658 301 V HN 0.612 nan 8.190 nan 0.000 0.452 302 A N 0.470 123.375 122.820 0.142 0.000 1.883 302 A HA -0.277 4.043 4.320 -0.001 0.000 0.217 302 A C 2.306 179.807 177.584 -0.138 0.000 1.186 302 A CA 2.266 54.177 52.037 -0.210 0.000 0.624 302 A CB -0.571 18.097 19.000 -0.554 0.000 0.822 302 A HN 0.447 nan 8.150 nan 0.000 0.444 303 R N -0.401 120.076 120.500 -0.037 0.000 2.091 303 R HA -0.180 4.159 4.340 -0.001 0.000 0.238 303 R C 2.146 178.456 176.300 0.016 0.000 1.136 303 R CA 2.284 58.380 56.100 -0.008 0.000 0.959 303 R CB -1.006 29.320 30.300 0.043 0.000 0.856 303 R HN 0.778 nan 8.270 nan 0.000 0.437 304 H N -0.185 118.877 119.070 -0.013 0.000 2.462 304 H HA 0.011 4.566 4.556 -0.001 0.000 0.292 304 H C 1.824 177.098 175.328 -0.090 0.000 1.049 304 H CA 1.408 57.439 56.048 -0.029 0.000 1.334 304 H CB 0.137 29.920 29.762 0.035 0.000 1.404 304 H HN 0.231 nan 8.280 nan 0.000 0.544 305 L N 0.145 121.294 121.223 -0.123 0.000 2.046 305 L HA -0.163 4.177 4.340 -0.001 0.000 0.208 305 L C 2.728 179.456 176.870 -0.237 0.000 1.077 305 L CA 0.968 55.671 54.840 -0.228 0.000 0.747 305 L CB -0.159 41.744 42.059 -0.259 0.000 0.896 305 L HN 0.120 nan 8.230 nan 0.000 0.432 306 V N -1.446 118.352 119.914 -0.194 0.000 2.488 306 V HA -0.125 3.995 4.120 -0.001 0.000 0.246 306 V C 0.452 176.470 176.094 -0.126 0.000 1.046 306 V CA 1.186 63.404 62.300 -0.137 0.000 1.053 306 V CB -0.269 31.496 31.823 -0.097 0.000 0.679 306 V HN 0.358 nan 8.190 nan 0.000 0.458 307 D N -0.699 119.613 120.400 -0.148 0.000 2.408 307 D HA 0.282 4.922 4.640 -0.001 0.000 0.261 307 D C -2.168 173.992 176.300 -0.233 0.000 1.190 307 D CA -2.224 51.696 54.000 -0.133 0.000 0.910 307 D CB 1.807 42.570 40.800 -0.062 0.000 1.097 307 D HN 0.056 nan 8.370 nan 0.000 0.522 308 P HA -0.092 nan 4.420 nan 0.000 0.226 308 P C 1.209 178.391 177.300 -0.197 0.000 1.146 308 P CA 1.086 63.869 63.100 -0.527 0.000 0.773 308 P CB 0.106 31.599 31.700 -0.344 0.000 0.772 309 T N -4.094 110.416 114.554 -0.074 0.000 3.088 309 T HA 0.240 4.590 4.350 -0.001 0.000 0.259 309 T C 0.966 175.717 174.700 0.085 0.000 1.122 309 T CA 0.034 62.146 62.100 0.020 0.000 1.095 309 T CB -0.625 68.249 68.868 0.010 0.000 0.930 309 T HN 0.018 nan 8.240 nan 0.000 0.508 310 A N 3.450 126.333 122.820 0.104 0.000 2.425 310 A HA 0.537 4.856 4.320 -0.001 0.000 0.242 310 A C -1.788 175.953 177.584 0.262 0.000 1.077 310 A CA -1.389 50.744 52.037 0.159 0.000 0.781 310 A CB -0.128 18.958 19.000 0.144 0.000 1.020 310 A HN 0.395 nan 8.150 nan 0.000 0.494 311 P HA 0.241 nan 4.420 nan 0.000 0.272 311 P C 0.508 177.953 177.300 0.242 0.000 1.240 311 P CA 0.135 63.359 63.100 0.206 0.000 0.791 311 P CB 0.423 32.200 31.700 0.128 0.000 0.978 312 G N 0.040 108.977 108.800 0.227 0.000 2.684 312 G HA2 0.079 4.038 3.960 -0.001 0.000 0.255 312 G HA3 0.079 4.038 3.960 -0.001 0.000 0.255 312 G C -0.852 174.146 174.900 0.164 0.000 1.219 312 G CA -0.622 44.572 45.100 0.156 0.000 0.901 312 G HN 0.555 nan 8.290 nan 0.000 0.548 313 Y N -0.028 120.282 120.300 0.018 0.000 2.717 313 Y HA 0.256 4.805 4.550 -0.001 0.000 0.330 313 Y C 0.990 176.885 175.900 -0.009 0.000 1.217 313 Y CA 0.359 58.468 58.100 0.016 0.000 1.506 313 Y CB 0.684 39.148 38.460 0.007 0.000 1.268 313 Y HN 0.436 nan 8.280 nan 0.000 0.561 314 A N 4.407 127.026 122.820 -0.335 0.000 2.701 314 A HA 0.166 4.486 4.320 -0.001 0.000 0.241 314 A C -0.127 177.242 177.584 -0.358 0.000 1.231 314 A CA -0.387 51.462 52.037 -0.312 0.000 1.003 314 A CB 0.127 19.063 19.000 -0.106 0.000 1.281 314 A HN 0.656 nan 8.150 nan 0.000 0.600 315 E N 0.548 120.434 120.200 -0.524 0.000 2.392 315 E HA 0.258 4.607 4.350 -0.001 0.000 0.264 315 E C -0.479 176.008 176.600 -0.187 0.000 1.024 315 E CA 0.214 56.486 56.400 -0.214 0.000 0.903 315 E CB 0.816 30.534 29.700 0.030 0.000 0.963 315 E HN 0.459 nan 8.360 nan 0.000 0.432 316 L N 4.379 125.595 121.223 -0.012 0.000 2.399 316 L HA 0.300 4.640 4.340 -0.001 0.000 0.266 316 L C -1.788 175.193 176.870 0.186 0.000 1.114 316 L CA -1.902 52.961 54.840 0.038 0.000 0.804 316 L CB 0.742 42.822 42.059 0.034 0.000 1.146 316 L HN 0.248 nan 8.230 nan 0.000 0.451 317 P HA 0.106 nan 4.420 nan 0.000 0.271 317 P C -1.319 176.231 177.300 0.417 0.000 1.218 317 P CA -0.132 63.109 63.100 0.236 0.000 0.780 317 P CB 0.698 32.499 31.700 0.168 0.000 0.901 318 W N 2.749 124.212 121.300 0.271 0.000 3.161 318 W HA 0.501 5.161 4.660 -0.001 0.000 0.314 318 W C -2.511 174.281 176.519 0.456 0.000 1.245 318 W CA -1.080 56.461 57.345 0.327 0.000 1.191 318 W CB 0.095 29.752 29.460 0.329 0.000 1.392 318 W HN 0.623 nan 8.180 nan 0.000 0.568 319 Y N -0.100 120.449 120.300 0.414 0.000 2.744 319 Y HA 0.853 5.402 4.550 -0.001 0.000 0.330 319 Y C -1.489 174.685 175.900 0.457 0.000 1.263 319 Y CA -1.923 56.275 58.100 0.162 0.000 1.065 319 Y CB 1.042 39.455 38.460 -0.079 0.000 1.306 319 Y HN 0.720 nan 8.280 nan 0.000 0.459 320 W N 0.270 121.680 121.300 0.183 0.000 3.032 320 W HA 0.858 5.517 4.660 -0.001 0.000 0.341 320 W C -1.722 174.887 176.519 0.151 0.000 1.202 320 W CA -1.153 56.217 57.345 0.041 0.000 1.132 320 W CB 1.806 31.276 29.460 0.017 0.000 1.465 320 W HN 0.740 nan 8.180 nan 0.000 0.576 321 S N 1.214 116.934 115.700 0.033 0.000 2.572 321 S HA 0.332 4.802 4.470 -0.001 0.000 0.274 321 S C -2.018 172.637 174.600 0.092 0.000 1.150 321 S CA -0.627 57.545 58.200 -0.047 0.000 0.944 321 S CB 1.017 64.246 63.200 0.050 0.000 1.071 321 S HN 0.452 nan 8.310 nan 0.000 0.479 322 D N 3.603 124.062 120.400 0.098 0.000 2.392 322 D HA 0.339 4.979 4.640 -0.001 0.000 0.228 322 D C -0.629 175.718 176.300 0.079 0.000 1.074 322 D CA -0.061 54.003 54.000 0.107 0.000 0.838 322 D CB 1.422 42.308 40.800 0.144 0.000 1.067 322 D HN 0.512 nan 8.370 nan 0.000 0.511 323 Q N 1.400 121.234 119.800 0.058 0.000 2.523 323 Q HA 0.492 4.831 4.340 -0.001 0.000 0.251 323 Q C 0.915 176.943 176.000 0.046 0.000 1.033 323 Q CA -0.761 55.105 55.803 0.105 0.000 0.746 323 Q CB 1.815 30.664 28.738 0.186 0.000 1.189 323 Q HN 0.664 nan 8.270 nan 0.000 0.508 324 G N 2.190 111.052 108.800 0.103 0.000 2.629 324 G HA2 -0.462 3.497 3.960 -0.001 0.000 0.313 324 G HA3 -0.462 3.497 3.960 -0.001 0.000 0.313 324 G C 0.770 175.695 174.900 0.041 0.000 1.217 324 G CA 0.295 45.470 45.100 0.125 0.000 0.994 324 G HN 0.718 nan 8.290 nan 0.000 0.549 325 A N -0.076 122.764 122.820 0.032 0.000 2.235 325 A HA 0.556 4.876 4.320 -0.001 0.000 0.208 325 A C 1.191 178.669 177.584 -0.177 0.000 1.172 325 A CA 0.940 52.951 52.037 -0.043 0.000 0.786 325 A CB -0.265 18.772 19.000 0.062 0.000 0.804 325 A HN 0.702 nan 8.150 nan 0.000 0.479 326 L N 0.813 121.851 121.223 -0.307 0.000 2.265 326 L HA 0.360 4.699 4.340 -0.001 0.000 0.289 326 L C -0.114 176.686 176.870 -0.117 0.000 1.033 326 L CA -0.371 54.317 54.840 -0.253 0.000 0.814 326 L CB 1.116 42.959 42.059 -0.360 0.000 1.203 326 L HN 0.199 nan 8.230 nan 0.000 0.423 327 R N 4.723 125.163 120.500 -0.100 0.000 2.233 327 R HA 0.513 4.853 4.340 -0.001 0.000 0.334 327 R C -0.702 175.532 176.300 -0.109 0.000 1.037 327 R CA -0.313 55.749 56.100 -0.064 0.000 0.920 327 R CB 0.846 31.105 30.300 -0.068 0.000 1.137 327 R HN 0.535 nan 8.270 nan 0.000 0.492 328 I N 2.613 123.144 120.570 -0.064 0.000 2.385 328 I HA 0.198 4.367 4.170 -0.001 0.000 0.294 328 I C 0.082 176.103 176.117 -0.160 0.000 0.988 328 I CA -0.419 60.811 61.300 -0.117 0.000 1.265 328 I CB 1.526 39.508 38.000 -0.030 0.000 1.388 328 I HN 0.354 nan 8.210 nan 0.000 0.480 329 Q N 5.216 124.798 119.800 -0.363 0.000 2.323 329 Q HA 0.676 5.015 4.340 -0.001 0.000 0.271 329 Q C -1.528 174.153 176.000 -0.533 0.000 1.048 329 Q CA -0.744 54.665 55.803 -0.656 0.000 0.792 329 Q CB 3.402 31.227 28.738 -1.521 0.000 1.280 329 Q HN 0.379 nan 8.270 nan 0.000 0.441 330 V N 1.125 120.815 119.914 -0.373 0.000 2.623 330 V HA 0.848 4.968 4.120 -0.001 0.000 0.304 330 V C -0.958 175.258 176.094 0.203 0.000 1.054 330 V CA -0.655 61.557 62.300 -0.147 0.000 0.882 330 V CB 1.718 33.226 31.823 -0.524 0.000 1.002 330 V HN 0.849 nan 8.190 nan 0.000 0.424 331 A N 3.083 126.118 122.820 0.359 0.000 2.401 331 A HA 1.009 5.328 4.320 -0.001 0.000 0.310 331 A C 0.529 178.230 177.584 0.196 0.000 1.075 331 A CA 0.145 52.376 52.037 0.323 0.000 0.746 331 A CB 1.508 20.576 19.000 0.112 0.000 1.277 331 A HN 2.219 nan 8.150 nan 0.000 0.425 332 G N -0.097 108.819 108.800 0.194 0.000 2.528 332 G HA2 -0.151 3.809 3.960 -0.001 0.000 0.262 332 G HA3 -0.151 3.809 3.960 -0.001 0.000 0.262 332 G C -0.113 174.867 174.900 0.132 0.000 1.200 332 G CA 0.151 45.329 45.100 0.129 0.000 0.951 332 G HN 1.244 nan 8.290 nan 0.000 0.566 333 L N 0.968 122.249 121.223 0.098 0.000 2.375 333 L HA 0.557 4.896 4.340 -0.001 0.000 0.271 333 L C 2.039 178.969 176.870 0.101 0.000 1.107 333 L CA -0.114 54.782 54.840 0.094 0.000 0.806 333 L CB 1.399 43.499 42.059 0.068 0.000 1.146 333 L HN 0.959 nan 8.230 nan 0.000 0.447 334 A N 1.766 124.649 122.820 0.106 0.000 2.015 334 A HA 0.002 4.321 4.320 -0.001 0.000 0.219 334 A C 0.902 178.537 177.584 0.084 0.000 1.163 334 A CA 1.301 53.402 52.037 0.107 0.000 0.646 334 A CB -0.206 18.860 19.000 0.110 0.000 0.806 334 A HN 0.769 nan 8.150 nan 0.000 0.448 335 S N -3.862 111.879 115.700 0.069 0.000 2.596 335 S HA 0.719 5.189 4.470 -0.001 0.000 0.270 335 S C -0.092 174.536 174.600 0.046 0.000 1.155 335 S CA -0.073 58.160 58.200 0.055 0.000 0.827 335 S CB 1.277 64.507 63.200 0.050 0.000 1.130 335 S HN 1.011 nan 8.310 nan 0.000 0.467 336 G N 0.451 109.273 108.800 0.038 0.000 3.265 336 G HA2 0.520 4.479 3.960 -0.001 0.000 0.171 336 G HA3 0.520 4.479 3.960 -0.001 0.000 0.171 336 G C -0.771 174.145 174.900 0.025 0.000 1.110 336 G CA 0.132 45.251 45.100 0.030 0.000 0.855 336 G HN 0.777 nan 8.290 nan 0.000 0.658 337 D N -0.727 119.686 120.400 0.021 0.000 2.398 337 D HA 0.205 4.845 4.640 -0.001 0.000 0.210 337 D C 0.381 176.691 176.300 0.016 0.000 1.094 337 D CA 0.075 54.085 54.000 0.017 0.000 0.839 337 D CB 1.026 41.834 40.800 0.014 0.000 0.963 337 D HN 0.439 nan 8.370 nan 0.000 0.506 338 E N -0.323 119.888 120.200 0.018 0.000 2.354 338 E HA 0.243 4.592 4.350 -0.001 0.000 0.283 338 E C -1.791 174.822 176.600 0.021 0.000 0.938 338 E CA -0.608 55.802 56.400 0.016 0.000 0.777 338 E CB 1.939 31.646 29.700 0.013 0.000 1.222 338 E HN 0.053 nan 8.360 nan 0.000 0.423 339 E N 4.683 124.895 120.200 0.019 0.000 2.187 339 E HA 0.449 4.799 4.350 -0.001 0.000 0.268 339 E C -1.074 175.536 176.600 0.018 0.000 0.896 339 E CA -0.681 55.733 56.400 0.024 0.000 0.766 339 E CB 1.247 30.963 29.700 0.028 0.000 1.142 339 E HN 0.449 nan 8.360 nan 0.000 0.408 340 I N 4.085 124.669 120.570 0.022 0.000 2.404 340 I HA 0.278 4.448 4.170 -0.001 0.000 0.293 340 I C -0.687 175.444 176.117 0.025 0.000 0.992 340 I CA -1.073 60.237 61.300 0.017 0.000 1.149 340 I CB 1.863 39.872 38.000 0.016 0.000 1.315 340 I HN 0.292 nan 8.210 nan 0.000 0.446 341 V N 7.026 126.947 119.914 0.012 0.000 2.347 341 V HA 0.389 4.508 4.120 -0.001 0.000 0.280 341 V C 0.125 176.229 176.094 0.018 0.000 1.021 341 V CA -0.661 61.646 62.300 0.012 0.000 0.847 341 V CB 1.169 32.966 31.823 -0.042 0.000 0.990 341 V HN 0.645 nan 8.190 nan 0.000 0.444 342 R N 3.744 124.274 120.500 0.049 0.000 2.215 342 R HA 0.649 4.989 4.340 -0.001 0.000 0.336 342 R C 0.562 176.898 176.300 0.060 0.000 0.996 342 R CA 0.281 56.406 56.100 0.042 0.000 0.847 342 R CB 1.437 31.762 30.300 0.041 0.000 1.127 342 R HN 1.095 nan 8.270 nan 0.000 0.465 343 G N 0.686 109.504 108.800 0.031 0.000 2.661 343 G HA2 -0.058 3.901 3.960 -0.001 0.000 0.685 343 G HA3 -0.058 3.901 3.960 -0.001 0.000 0.685 343 G C -0.805 174.089 174.900 -0.009 0.000 1.298 343 G CA -0.500 44.619 45.100 0.033 0.000 0.855 343 G HN 0.687 nan 8.290 nan 0.000 0.560 344 E N -1.049 119.141 120.200 -0.018 0.000 2.301 344 E HA 0.641 4.990 4.350 -0.001 0.000 0.275 344 E C 0.316 176.815 176.600 -0.169 0.000 1.030 344 E CA -0.070 56.284 56.400 -0.076 0.000 0.852 344 E CB 1.726 31.405 29.700 -0.035 0.000 1.060 344 E HN 1.759 nan 8.360 nan 0.000 0.401 345 V N 2.500 122.211 119.914 -0.338 0.000 2.334 345 V HA 0.566 4.686 4.120 -0.001 0.000 0.267 345 V C 0.138 176.091 176.094 -0.235 0.000 1.040 345 V CA 0.006 61.918 62.300 -0.647 0.000 0.866 345 V CB 0.370 31.657 31.823 -0.893 0.000 1.019 345 V HN 0.734 nan 8.190 nan 0.000 0.468 346 S N 4.081 119.740 115.700 -0.068 0.000 2.536 346 S HA 0.550 5.020 4.470 -0.001 0.000 0.271 346 S C 0.379 175.221 174.600 0.404 0.000 1.134 346 S CA -0.691 57.613 58.200 0.174 0.000 0.897 346 S CB 1.813 65.067 63.200 0.089 0.000 1.094 346 S HN 0.508 nan 8.310 nan 0.000 0.473 347 L N 1.619 123.075 121.223 0.388 0.000 2.376 347 L HA 0.145 4.484 4.340 -0.001 0.000 0.219 347 L C -0.004 177.004 176.870 0.230 0.000 1.133 347 L CA 0.605 55.648 54.840 0.337 0.000 0.816 347 L CB -0.169 42.001 42.059 0.185 0.000 0.933 347 L HN 0.576 nan 8.230 nan 0.000 0.449 348 D N 1.772 122.275 120.400 0.171 0.000 2.352 348 D HA 0.315 4.955 4.640 -0.001 0.000 0.245 348 D C 0.694 177.065 176.300 0.118 0.000 1.224 348 D CA 0.395 54.467 54.000 0.120 0.000 0.879 348 D CB 0.955 41.805 40.800 0.083 0.000 1.057 348 D HN 0.138 nan 8.370 nan 0.000 0.491 349 A N 3.590 126.479 122.820 0.114 0.000 2.251 349 A HA -0.155 4.164 4.320 -0.001 0.000 0.283 349 A C -2.086 175.561 177.584 0.106 0.000 1.415 349 A CA -0.637 51.456 52.037 0.093 0.000 0.742 349 A CB -1.641 17.395 19.000 0.061 0.000 1.151 349 A HN 0.331 nan 8.150 nan 0.000 0.354 350 P HA 0.367 nan 4.420 nan 0.000 0.264 350 P C -0.129 177.205 177.300 0.055 0.000 1.193 350 P CA 0.570 63.778 63.100 0.180 0.000 0.763 350 P CB 0.553 32.448 31.700 0.324 0.000 0.810 351 K N 4.151 124.590 120.400 0.064 0.000 2.610 351 K HA 0.428 4.747 4.320 -0.001 0.000 0.274 351 K C -1.685 174.959 176.600 0.073 0.000 1.049 351 K CA -0.594 55.676 56.287 -0.028 0.000 0.945 351 K CB 0.549 33.044 32.500 -0.008 0.000 1.313 351 K HN 0.427 nan 8.250 nan 0.000 0.463 352 F N -1.237 118.634 119.950 -0.132 0.000 2.741 352 F HA 0.599 5.125 4.527 -0.001 0.000 0.311 352 F C -1.527 174.219 175.800 -0.089 0.000 1.149 352 F CA -0.791 57.135 58.000 -0.123 0.000 0.930 352 F CB 1.774 40.665 39.000 -0.182 0.000 1.312 352 F HN 0.077 nan 8.300 nan 0.000 0.450 353 T N 2.679 117.335 114.554 0.169 0.000 2.886 353 T HA 0.703 5.052 4.350 -0.001 0.000 0.292 353 T C -0.986 173.825 174.700 0.185 0.000 1.012 353 T CA -0.616 61.541 62.100 0.094 0.000 0.982 353 T CB 1.601 70.499 68.868 0.050 0.000 1.018 353 T HN 0.651 nan 8.240 nan 0.000 0.451 354 L N 3.581 124.901 121.223 0.161 0.000 2.334 354 L HA 0.703 5.043 4.340 -0.001 0.000 0.276 354 L C -0.697 176.227 176.870 0.090 0.000 1.014 354 L CA -1.038 53.883 54.840 0.135 0.000 0.815 354 L CB 1.597 43.750 42.059 0.158 0.000 1.268 354 L HN 0.497 nan 8.230 nan 0.000 0.428 355 I N 2.013 122.622 120.570 0.065 0.000 2.466 355 I HA 0.316 4.485 4.170 -0.001 0.000 0.289 355 I C -0.639 175.504 176.117 0.042 0.000 1.026 355 I CA -0.687 60.641 61.300 0.047 0.000 1.078 355 I CB 2.099 40.116 38.000 0.029 0.000 1.249 355 I HN 0.503 nan 8.210 nan 0.000 0.429 356 E N 6.920 127.146 120.200 0.043 0.000 2.175 356 E HA 0.663 5.013 4.350 -0.001 0.000 0.278 356 E C -1.005 175.612 176.600 0.028 0.000 0.969 356 E CA -0.696 55.728 56.400 0.039 0.000 0.796 356 E CB 2.482 32.212 29.700 0.050 0.000 1.104 356 E HN 0.329 nan 8.360 nan 0.000 0.395 357 L N 1.713 122.949 121.223 0.023 0.000 2.333 357 L HA 0.438 4.777 4.340 -0.001 0.000 0.263 357 L C -0.391 176.490 176.870 0.017 0.000 1.014 357 L CA -0.899 53.951 54.840 0.016 0.000 0.820 357 L CB 1.626 43.692 42.059 0.012 0.000 1.352 357 L HN 0.299 nan 8.230 nan 0.000 0.421 358 Q N 1.385 121.193 119.800 0.014 0.000 2.275 358 Q HA 0.409 4.748 4.340 -0.001 0.000 0.266 358 Q C -1.044 174.962 176.000 0.010 0.000 1.002 358 Q CA -0.570 55.241 55.803 0.014 0.000 0.761 358 Q CB 1.188 29.935 28.738 0.016 0.000 1.255 358 Q HN 0.417 nan 8.270 nan 0.000 0.446 359 K N 3.446 123.851 120.400 0.009 0.000 3.071 359 K HA -0.285 4.035 4.320 -0.001 0.000 0.262 359 K C 0.590 177.193 176.600 0.005 0.000 0.977 359 K CA 0.778 57.069 56.287 0.007 0.000 0.721 359 K CB -1.840 30.664 32.500 0.006 0.000 1.293 359 K HN 1.195 nan 8.250 nan 0.000 0.475 360 G N 0.078 108.881 108.800 0.005 0.000 2.225 360 G HA2 -0.378 3.582 3.960 -0.001 0.000 0.254 360 G HA3 -0.378 3.582 3.960 -0.001 0.000 0.254 360 G C 0.072 174.972 174.900 0.002 0.000 0.988 360 G CA 0.480 45.582 45.100 0.003 0.000 0.625 360 G HN 0.473 nan 8.290 nan 0.000 0.527 361 R N 0.596 121.098 120.500 0.002 0.000 2.312 361 R HA 0.635 4.975 4.340 -0.001 0.000 0.311 361 R C 0.567 176.868 176.300 0.001 0.000 1.004 361 R CA -0.908 55.192 56.100 0.000 0.000 0.902 361 R CB 0.305 30.606 30.300 0.000 0.000 1.073 361 R HN 0.230 nan 8.270 nan 0.000 0.457 362 I N 5.828 126.396 120.570 -0.003 0.000 2.587 362 I HA -0.071 4.099 4.170 -0.001 0.000 0.284 362 I C 1.267 177.384 176.117 0.000 0.000 1.134 362 I CA 0.084 61.383 61.300 -0.003 0.000 1.410 362 I CB 1.125 39.116 38.000 -0.014 0.000 1.392 362 I HN 0.607 nan 8.210 nan 0.000 0.545 363 V N 2.547 122.468 119.914 0.011 0.000 3.502 363 V HA 0.617 4.737 4.120 -0.001 0.000 0.288 363 V C 0.524 176.637 176.094 0.033 0.000 1.461 363 V CA 0.322 62.634 62.300 0.020 0.000 1.029 363 V CB 0.166 32.004 31.823 0.025 0.000 0.843 363 V HN 0.823 nan 8.190 nan 0.000 0.438 364 G N -0.804 108.016 108.800 0.034 0.000 2.547 364 G HA2 0.830 4.790 3.960 -0.001 0.000 0.291 364 G HA3 0.830 4.790 3.960 -0.001 0.000 0.291 364 G C -1.442 173.490 174.900 0.054 0.000 1.471 364 G CA -0.028 45.106 45.100 0.056 0.000 0.798 364 G HN 1.138 nan 8.290 nan 0.000 0.504 365 A N -0.332 122.538 122.820 0.083 0.000 2.606 365 A HA 0.947 5.267 4.320 -0.001 0.000 0.293 365 A C -0.649 177.046 177.584 0.186 0.000 1.082 365 A CA -0.526 51.574 52.037 0.104 0.000 0.685 365 A CB 1.886 20.917 19.000 0.051 0.000 1.284 365 A HN 1.185 nan 8.150 nan 0.000 0.408 366 T N 0.468 115.116 114.554 0.156 0.000 2.916 366 T HA 0.571 4.920 4.350 -0.001 0.000 0.298 366 T C -1.042 173.675 174.700 0.029 0.000 1.031 366 T CA -0.221 61.937 62.100 0.096 0.000 0.993 366 T CB 1.040 69.948 68.868 0.066 0.000 1.045 366 T HN 0.832 nan 8.240 nan 0.000 0.454 367 C N 2.711 121.950 119.300 -0.101 0.000 2.408 367 C HA 0.758 5.218 4.460 -0.001 0.000 0.321 367 C C -0.118 174.644 174.990 -0.379 0.000 1.245 367 C CA -0.747 58.145 59.018 -0.211 0.000 1.523 367 C CB 0.987 28.657 27.740 -0.117 0.000 2.178 367 C HN 0.709 nan 8.230 nan 0.000 0.488 368 V N 4.724 124.297 119.914 -0.569 0.000 2.378 368 V HA 0.405 4.525 4.120 -0.001 0.000 0.288 368 V C -0.154 175.703 176.094 -0.395 0.000 1.016 368 V CA -0.301 61.651 62.300 -0.580 0.000 0.840 368 V CB 1.131 32.335 31.823 -1.032 0.000 0.994 368 V HN 0.989 nan 8.190 nan 0.000 0.431 369 N N 3.706 122.257 118.700 -0.247 0.000 2.740 369 N HA -0.188 4.552 4.740 -0.001 0.000 0.248 369 N C -0.027 175.401 175.510 -0.137 0.000 1.062 369 N CA 0.858 53.812 53.050 -0.159 0.000 0.704 369 N CB -0.906 37.510 38.487 -0.119 0.000 0.968 369 N HN 0.801 nan 8.380 nan 0.000 0.547 370 N N -0.872 117.739 118.700 -0.149 0.000 2.666 370 N HA 0.393 5.133 4.740 -0.001 0.000 0.253 370 N C 0.737 176.204 175.510 -0.071 0.000 1.621 370 N CA 0.375 53.367 53.050 -0.098 0.000 0.785 370 N CB 0.335 38.770 38.487 -0.087 0.000 1.332 370 N HN 0.195 nan 8.380 nan 0.000 0.514 371 A N 0.967 123.740 122.820 -0.078 0.000 1.978 371 A HA -0.161 4.159 4.320 -0.001 0.000 0.220 371 A C 2.139 179.722 177.584 -0.002 0.000 1.170 371 A CA 1.268 53.273 52.037 -0.054 0.000 0.636 371 A CB -0.286 18.667 19.000 -0.080 0.000 0.810 371 A HN 0.549 nan 8.150 nan 0.000 0.448 372 R N -0.542 119.947 120.500 -0.018 0.000 2.096 372 R HA -0.178 4.161 4.340 -0.001 0.000 0.235 372 R C 1.161 177.458 176.300 -0.004 0.000 1.127 372 R CA 1.841 57.931 56.100 -0.016 0.000 0.968 372 R CB -0.290 29.997 30.300 -0.022 0.000 0.861 372 R HN 0.431 nan 8.270 nan 0.000 0.440 373 D N -0.558 119.848 120.400 0.011 0.000 2.224 373 D HA -0.119 4.521 4.640 -0.001 0.000 0.205 373 D C 1.336 177.662 176.300 0.043 0.000 0.965 373 D CA 0.663 54.673 54.000 0.017 0.000 0.852 373 D CB -0.125 40.688 40.800 0.022 0.000 0.947 373 D HN 0.156 nan 8.370 nan 0.000 0.494 374 F N 1.409 121.292 119.950 -0.111 0.000 2.146 374 F HA -0.041 4.485 4.527 -0.001 0.000 0.298 374 F C 2.151 177.853 175.800 -0.163 0.000 1.096 374 F CA 1.138 59.056 58.000 -0.136 0.000 1.275 374 F CB -0.374 38.531 39.000 -0.158 0.000 1.008 374 F HN -0.064 nan 8.300 nan 0.000 0.480 375 A N 1.169 123.908 122.820 -0.134 0.000 1.865 375 A HA -0.132 4.188 4.320 -0.001 0.000 0.217 375 A C -0.166 177.282 177.584 -0.226 0.000 1.191 375 A CA 1.861 53.759 52.037 -0.232 0.000 0.623 375 A CB -2.314 16.605 19.000 -0.135 0.000 0.826 375 A HN 0.359 nan 8.150 nan 0.000 0.444 376 P HA -0.116 nan 4.420 nan 0.000 0.218 376 P C 1.541 178.751 177.300 -0.149 0.000 1.149 376 P CA 0.881 63.907 63.100 -0.123 0.000 0.817 376 P CB -0.208 31.445 31.700 -0.078 0.000 0.785 377 L N -0.708 120.407 121.223 -0.180 0.000 2.083 377 L HA -0.107 4.232 4.340 -0.001 0.000 0.209 377 L C 2.953 179.665 176.870 -0.263 0.000 1.083 377 L CA 1.429 56.156 54.840 -0.188 0.000 0.752 377 L CB -0.590 41.374 42.059 -0.157 0.000 0.899 377 L HN -0.118 nan 8.230 nan 0.000 0.433 378 R N -0.480 119.767 120.500 -0.421 0.000 2.115 378 R HA -0.177 4.162 4.340 -0.001 0.000 0.230 378 R C 2.376 178.536 176.300 -0.234 0.000 1.111 378 R CA 1.073 56.928 56.100 -0.410 0.000 0.976 378 R CB -0.233 29.700 30.300 -0.613 0.000 0.870 378 R HN 0.166 nan 8.270 nan 0.000 0.445 379 R N 1.313 121.696 120.500 -0.196 0.000 2.075 379 R HA -0.045 4.295 4.340 -0.001 0.000 0.232 379 R C 2.039 178.282 176.300 -0.094 0.000 1.126 379 R CA 1.317 57.343 56.100 -0.124 0.000 0.963 379 R CB -0.618 29.618 30.300 -0.105 0.000 0.858 379 R HN 0.150 nan 8.270 nan 0.000 0.435 380 L N 0.216 121.381 121.223 -0.096 0.000 2.046 380 L HA -0.154 4.186 4.340 -0.001 0.000 0.208 380 L C 2.268 179.100 176.870 -0.063 0.000 1.077 380 L CA 0.960 55.758 54.840 -0.069 0.000 0.747 380 L CB -0.626 41.395 42.059 -0.063 0.000 0.896 380 L HN 0.247 nan 8.230 nan 0.000 0.432 381 L N 0.237 121.412 121.223 -0.081 0.000 2.046 381 L HA -0.152 4.188 4.340 -0.001 0.000 0.208 381 L C 2.629 179.469 176.870 -0.050 0.000 1.077 381 L CA 2.010 56.813 54.840 -0.062 0.000 0.747 381 L CB -0.712 41.300 42.059 -0.079 0.000 0.896 381 L HN 0.144 nan 8.230 nan 0.000 0.432 382 A N -0.748 122.034 122.820 -0.062 0.000 1.933 382 A HA -0.149 4.170 4.320 -0.001 0.000 0.218 382 A C 2.066 179.628 177.584 -0.036 0.000 1.175 382 A CA 2.091 54.100 52.037 -0.048 0.000 0.628 382 A CB -1.150 17.818 19.000 -0.053 0.000 0.814 382 A HN 0.570 nan 8.150 nan 0.000 0.444 383 V N -3.674 116.218 119.914 -0.036 0.000 3.647 383 V HA 0.512 4.631 4.120 -0.001 0.000 0.279 383 V C 1.180 177.261 176.094 -0.022 0.000 1.314 383 V CA 0.425 62.709 62.300 -0.027 0.000 1.125 383 V CB -1.058 30.749 31.823 -0.026 0.000 0.907 383 V HN 1.507 nan 8.190 nan 0.000 0.434 384 G N 0.865 109.651 108.800 -0.024 0.000 2.338 384 G HA2 -0.074 3.885 3.960 -0.001 0.000 0.296 384 G HA3 -0.074 3.885 3.960 -0.001 0.000 0.296 384 G C 0.355 175.245 174.900 -0.016 0.000 1.040 384 G CA 0.337 45.426 45.100 -0.017 0.000 1.004 384 G HN 1.726 nan 8.290 nan 0.000 0.509 385 A N -0.142 122.665 122.820 -0.021 0.000 2.531 385 A HA 0.530 4.849 4.320 -0.001 0.000 0.236 385 A C 0.895 178.471 177.584 -0.013 0.000 1.062 385 A CA 0.571 52.597 52.037 -0.019 0.000 0.760 385 A CB 0.331 19.316 19.000 -0.025 0.000 0.995 385 A HN 0.530 nan 8.150 nan 0.000 0.501 386 K N 2.842 123.235 120.400 -0.011 0.000 2.602 386 K HA 0.304 4.624 4.320 -0.001 0.000 0.201 386 K C -2.581 174.014 176.600 -0.007 0.000 1.070 386 K CA -1.202 55.081 56.287 -0.007 0.000 1.026 386 K CB 0.679 33.176 32.500 -0.005 0.000 1.534 386 K HN 0.561 nan 8.250 nan 0.000 0.560 387 P HA 0.083 nan 4.420 nan 0.000 0.278 387 P C -0.711 176.585 177.300 -0.006 0.000 1.266 387 P CA -0.633 62.462 63.100 -0.008 0.000 0.807 387 P CB 0.577 32.270 31.700 -0.011 0.000 1.094 388 D N -0.903 119.494 120.400 -0.005 0.000 2.401 388 D HA 0.215 4.854 4.640 -0.001 0.000 0.254 388 D C 1.545 177.843 176.300 -0.003 0.000 1.192 388 D CA 0.060 54.058 54.000 -0.004 0.000 0.885 388 D CB 0.606 41.403 40.800 -0.004 0.000 1.147 388 D HN 0.316 nan 8.370 nan 0.000 0.478 389 R N 3.528 124.027 120.500 -0.001 0.000 2.115 389 R HA -0.005 4.335 4.340 -0.001 0.000 0.230 389 R C 2.171 178.471 176.300 0.000 0.000 1.111 389 R CA 1.785 57.885 56.100 0.000 0.000 0.976 389 R CB -1.384 28.916 30.300 0.001 0.000 0.870 389 R HN 0.659 nan 8.270 nan 0.000 0.445 390 A N 0.845 123.665 122.820 -0.001 0.000 1.902 390 A HA 0.221 4.541 4.320 -0.001 0.000 0.217 390 A C 2.821 180.404 177.584 -0.001 0.000 1.181 390 A CA 1.896 53.933 52.037 -0.001 0.000 0.623 390 A CB -0.838 18.162 19.000 -0.001 0.000 0.818 390 A HN 0.922 nan 8.150 nan 0.000 0.443 391 A N -0.341 122.477 122.820 -0.002 0.000 1.933 391 A HA -0.013 4.306 4.320 -0.001 0.000 0.218 391 A C 2.152 179.735 177.584 -0.002 0.000 1.175 391 A CA 1.397 53.432 52.037 -0.003 0.000 0.628 391 A CB -0.576 18.422 19.000 -0.004 0.000 0.814 391 A HN 0.470 nan 8.150 nan 0.000 0.444 392 L N -0.975 120.248 121.223 -0.001 0.000 2.083 392 L HA -0.219 4.120 4.340 -0.001 0.000 0.209 392 L C 3.055 179.928 176.870 0.004 0.000 1.083 392 L CA 1.141 55.982 54.840 0.001 0.000 0.752 392 L CB -0.480 41.580 42.059 0.001 0.000 0.899 392 L HN 0.481 nan 8.230 nan 0.000 0.433 393 A N -1.206 121.616 122.820 0.003 0.000 1.874 393 A HA -0.141 4.179 4.320 -0.001 0.000 0.214 393 A C 1.007 178.592 177.584 0.003 0.000 1.189 393 A CA 0.323 52.362 52.037 0.004 0.000 0.615 393 A CB -0.384 18.617 19.000 0.001 0.000 0.830 393 A HN 0.305 nan 8.150 nan 0.000 0.443 394 D N 0.750 121.150 120.400 0.001 0.000 2.570 394 D HA -0.011 4.628 4.640 -0.001 0.000 0.243 394 D C -1.326 174.974 176.300 0.001 0.000 1.171 394 D CA -1.042 52.958 54.000 -0.000 0.000 0.879 394 D CB 0.904 41.703 40.800 -0.001 0.000 1.143 394 D HN 0.177 nan 8.370 nan 0.000 0.511 395 P HA -0.110 nan 4.420 nan 0.000 0.225 395 P C 0.806 178.106 177.300 0.000 0.000 1.148 395 P CA 0.694 63.795 63.100 0.002 0.000 0.779 395 P CB 0.165 31.867 31.700 0.003 0.000 0.780 396 A N -0.464 122.356 122.820 -0.001 0.000 2.168 396 A HA 0.028 4.347 4.320 -0.001 0.000 0.215 396 A C 1.126 178.708 177.584 -0.004 0.000 1.152 396 A CA 0.713 52.749 52.037 -0.002 0.000 0.716 396 A CB -1.305 17.693 19.000 -0.002 0.000 0.794 396 A HN 0.165 nan 8.150 nan 0.000 0.465 397 T N 2.611 117.163 114.554 -0.003 0.000 2.814 397 T HA 0.304 4.654 4.350 -0.001 0.000 0.297 397 T C -0.316 174.380 174.700 -0.007 0.000 0.956 397 T CA -0.164 61.932 62.100 -0.005 0.000 1.123 397 T CB 0.631 69.496 68.868 -0.005 0.000 0.902 397 T HN 0.525 nan 8.240 nan 0.000 0.528 398 D N 4.065 124.459 120.400 -0.009 0.000 2.232 398 D HA 0.137 4.776 4.640 -0.001 0.000 0.242 398 D C 0.835 177.126 176.300 -0.016 0.000 1.093 398 D CA -0.664 53.329 54.000 -0.012 0.000 0.845 398 D CB 1.232 42.025 40.800 -0.012 0.000 1.124 398 D HN 0.368 nan 8.370 nan 0.000 0.467 399 L N 1.599 122.811 121.223 -0.018 0.000 2.240 399 L HA -0.040 4.300 4.340 -0.001 0.000 0.211 399 L C 2.560 179.411 176.870 -0.032 0.000 1.106 399 L CA 0.332 55.157 54.840 -0.025 0.000 0.793 399 L CB -0.328 41.715 42.059 -0.027 0.000 0.927 399 L HN 0.332 nan 8.230 nan 0.000 0.446 400 R N 1.329 121.811 120.500 -0.031 0.000 2.081 400 R HA -0.172 4.167 4.340 -0.001 0.000 0.235 400 R C 2.582 178.864 176.300 -0.030 0.000 1.131 400 R CA 2.180 58.260 56.100 -0.034 0.000 0.960 400 R CB -0.449 29.832 30.300 -0.030 0.000 0.856 400 R HN 0.226 nan 8.270 nan 0.000 0.436 401 K N 0.225 120.611 120.400 -0.024 0.000 2.057 401 K HA -0.032 4.288 4.320 -0.001 0.000 0.206 401 K C 2.012 178.599 176.600 -0.021 0.000 1.050 401 K CA 1.459 57.733 56.287 -0.020 0.000 0.935 401 K CB -1.033 31.457 32.500 -0.016 0.000 0.715 401 K HN 0.214 nan 8.250 nan 0.000 0.439 402 L N 0.497 121.707 121.223 -0.022 0.000 2.042 402 L HA -0.019 4.321 4.340 -0.001 0.000 0.210 402 L C 2.825 179.678 176.870 -0.028 0.000 1.076 402 L CA 2.160 56.986 54.840 -0.023 0.000 0.749 402 L CB -0.599 41.447 42.059 -0.022 0.000 0.893 402 L HN 0.429 nan 8.230 nan 0.000 0.432 403 A N -1.081 121.718 122.820 -0.035 0.000 1.969 403 A HA -0.063 4.256 4.320 -0.001 0.000 0.218 403 A C 2.383 179.945 177.584 -0.035 0.000 1.169 403 A CA 1.543 53.555 52.037 -0.042 0.000 0.635 403 A CB -0.928 18.038 19.000 -0.056 0.000 0.810 403 A HN 0.505 nan 8.150 nan 0.000 0.445 404 A N -0.473 122.329 122.820 -0.030 0.000 1.968 404 A HA 0.310 4.630 4.320 -0.001 0.000 0.217 404 A C 2.368 179.940 177.584 -0.020 0.000 1.169 404 A CA 1.643 53.666 52.037 -0.025 0.000 0.638 404 A CB -0.647 18.339 19.000 -0.022 0.000 0.812 404 A HN 0.899 nan 8.150 nan 0.000 0.446 405 A N -0.559 122.249 122.820 -0.019 0.000 1.935 405 A HA 0.350 4.670 4.320 -0.001 0.000 0.214 405 A C 1.319 178.894 177.584 -0.016 0.000 1.178 405 A CA 0.810 52.837 52.037 -0.016 0.000 0.640 405 A CB -0.582 18.409 19.000 -0.014 0.000 0.825 405 A HN 0.257 nan 8.150 nan 0.000 0.447 406 V N 0.000 119.903 119.914 -0.019 0.000 2.409 406 V HA 0.000 4.120 4.120 -0.001 0.000 0.244 406 V CA 0.000 62.289 62.300 -0.019 0.000 1.235 406 V CB 0.000 31.809 31.823 -0.023 0.000 1.184 406 V HN 0.000 nan 8.190 nan 0.000 0.556