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 3nt6_1_B DATA FIRST_RESID 2 DATA SEQUENCE KKILIIGGVA GGASAAARAR RLSETAEIIX FERGEYVSFA NSGLPYHISG DATA SEQUENCE EIAQRSALVL QTPESFKARF NVEVRVKHEV VAIDRAAKLV TVRRLLDGSE DATA SEQUENCE YQESYDTLLL SPGAAPIVPP IPGVDNPLTH SLRNIPDXDR ILQTIQXNNV DATA SEQUENCE EHATVVGGGF IGLEXXESLH HLGIKTTLLE LADQVXTPVD REXAGFAHQA DATA SEQUENCE IRDQGVDLRL GTALSEVSYQ VQTHVASDAA GEDTAHQHIK GHLSLTLSNG DATA SEQUENCE ELLETDLLIX AIGVRPETQL ARDAGLAIGE LGGIKVNAXX QTSDPAIYAV DATA SEQUENCE GDAVEEQDFV TGQACLVPLA GPANRQGRXA ADNXFGREER YQGTQGTAIC DATA SEQUENCE KVFDLAVGAT GKNEKQLKQA GIAFEKVYVH TASHASYYPG AEVVSFKLLF DATA SEQUENCE DPVKGTIFGA QAVGKDGIDK RIDVXAVAQR AGXTVEQLQH LELSYAPPYG DATA SEQUENCE SAKDVINQAA FVASNIIKGD ATPIHFDQID NLSEDQLLLD VRNPGELQNG DATA SEQUENCE GLEGAVNIPV DELRDRXHEL PKDKEIIIFS QVGLRGNVAY RQLVNNGYRA DATA SEQUENCE RNLIGGYRTY KFAS 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 2 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.621 176.600 0.035 0.000 0.988 2 K CA 0.000 56.298 56.287 0.019 0.000 0.838 2 K CB 0.000 32.466 32.500 -0.057 0.000 1.064 3 K N 4.983 125.405 120.400 0.036 0.000 2.367 3 K HA 0.415 4.736 4.320 0.002 0.000 0.263 3 K C -1.156 175.489 176.600 0.074 0.000 1.000 3 K CA -0.538 55.786 56.287 0.061 0.000 0.891 3 K CB 0.631 33.176 32.500 0.076 0.000 1.117 3 K HN 0.443 nan 8.250 nan 0.000 0.443 4 I N 5.782 126.382 120.570 0.049 0.000 2.339 4 I HA 0.274 4.445 4.170 0.002 0.000 0.290 4 I C -0.416 175.726 176.117 0.042 0.000 0.994 4 I CA -0.690 60.627 61.300 0.028 0.000 1.191 4 I CB 1.349 39.341 38.000 -0.012 0.000 1.343 4 I HN 0.392 nan 8.210 nan 0.000 0.458 5 L N 7.233 128.496 121.223 0.067 0.000 2.317 5 L HA 0.613 4.954 4.340 0.002 0.000 0.281 5 L C -0.521 176.377 176.870 0.046 0.000 1.024 5 L CA -0.656 54.242 54.840 0.096 0.000 0.810 5 L CB 1.611 43.801 42.059 0.218 0.000 1.240 5 L HN 0.474 nan 8.230 nan 0.000 0.427 6 I N 4.279 124.883 120.570 0.057 0.000 2.466 6 I HA 0.395 4.566 4.170 0.002 0.000 0.289 6 I C -0.505 175.689 176.117 0.128 0.000 1.026 6 I CA -0.429 60.889 61.300 0.029 0.000 1.078 6 I CB 2.598 40.568 38.000 -0.051 0.000 1.249 6 I HN 0.454 nan 8.210 nan 0.000 0.429 7 I N 5.433 126.060 120.570 0.095 0.000 2.307 7 I HA 0.575 4.746 4.170 0.002 0.000 0.289 7 I C 0.384 176.536 176.117 0.059 0.000 1.021 7 I CA -0.134 61.234 61.300 0.114 0.000 1.224 7 I CB 1.352 39.370 38.000 0.029 0.000 1.376 7 I HN 0.855 nan 8.210 nan 0.000 0.470 8 G N 3.666 112.509 108.800 0.071 0.000 3.438 8 G HA2 0.005 3.966 3.960 0.002 0.000 0.684 8 G HA3 0.005 3.966 3.960 0.002 0.000 0.684 8 G C -0.037 174.865 174.900 0.004 0.000 1.192 8 G CA -0.471 44.654 45.100 0.042 0.000 1.013 8 G HN 0.929 nan 8.290 nan 0.000 0.530 9 G N 0.414 109.220 108.800 0.011 0.000 3.936 9 G HA2 0.616 4.577 3.960 0.002 0.000 0.296 9 G HA3 0.616 4.577 3.960 0.002 0.000 0.296 9 G C 0.747 175.639 174.900 -0.013 0.000 1.121 9 G CA 0.768 45.836 45.100 -0.054 0.000 0.899 9 G HN 1.156 nan 8.290 nan 0.000 0.542 10 V N 0.133 120.034 119.914 -0.022 0.000 7.024 10 V HA 0.586 4.707 4.120 0.002 0.000 0.231 10 V C 2.376 178.415 176.094 -0.091 0.000 1.639 10 V CA 0.488 62.728 62.300 -0.099 0.000 0.732 10 V CB -0.262 31.405 31.823 -0.260 0.000 1.808 10 V HN 0.132 nan 8.190 nan 0.000 0.333 11 A N 0.444 123.190 122.820 -0.123 0.000 1.858 11 A HA -0.021 4.300 4.320 0.002 0.000 0.216 11 A C 2.124 179.675 177.584 -0.056 0.000 1.190 11 A CA 2.384 54.368 52.037 -0.088 0.000 0.617 11 A CB -1.463 17.480 19.000 -0.096 0.000 0.827 11 A HN 0.903 nan 8.150 nan 0.000 0.443 12 G N -0.962 107.806 108.800 -0.052 0.000 2.424 12 G HA2 0.126 4.087 3.960 0.002 0.000 0.214 12 G HA3 0.126 4.087 3.960 0.002 0.000 0.214 12 G C 1.561 176.435 174.900 -0.044 0.000 1.202 12 G CA 1.184 46.256 45.100 -0.046 0.000 0.793 12 G HN 0.711 nan 8.290 nan 0.000 0.534 13 G N 1.057 109.830 108.800 -0.045 0.000 2.421 13 G HA2 0.060 4.021 3.960 0.002 0.000 0.216 13 G HA3 0.060 4.021 3.960 0.002 0.000 0.216 13 G C 2.049 176.904 174.900 -0.074 0.000 1.171 13 G CA 1.600 46.666 45.100 -0.056 0.000 0.775 13 G HN 0.656 nan 8.290 nan 0.000 0.543 14 A N 0.520 123.304 122.820 -0.060 0.000 1.969 14 A HA 0.092 4.413 4.320 0.002 0.000 0.218 14 A C 2.677 180.300 177.584 0.064 0.000 1.169 14 A CA 2.121 54.157 52.037 -0.003 0.000 0.635 14 A CB -0.402 18.645 19.000 0.080 0.000 0.810 14 A HN 0.305 nan 8.150 nan 0.000 0.445 15 S N -0.125 115.576 115.700 0.001 0.000 2.371 15 S HA 0.035 4.506 4.470 0.002 0.000 0.224 15 S C 2.320 176.888 174.600 -0.054 0.000 1.029 15 S CA 1.003 59.186 58.200 -0.028 0.000 0.978 15 S CB -0.394 62.786 63.200 -0.032 0.000 0.833 15 S HN 0.773 nan 8.310 nan 0.000 0.466 16 A N 1.729 124.519 122.820 -0.049 0.000 1.902 16 A HA 0.104 4.425 4.320 0.002 0.000 0.217 16 A C 2.350 179.903 177.584 -0.053 0.000 1.181 16 A CA 1.678 53.684 52.037 -0.053 0.000 0.623 16 A CB -1.092 17.874 19.000 -0.057 0.000 0.818 16 A HN 0.501 nan 8.150 nan 0.000 0.443 17 A N -0.184 122.603 122.820 -0.055 0.000 1.908 17 A HA 0.112 4.433 4.320 0.002 0.000 0.218 17 A C 2.484 180.014 177.584 -0.089 0.000 1.181 17 A CA 2.304 54.316 52.037 -0.043 0.000 0.627 17 A CB -0.929 18.020 19.000 -0.085 0.000 0.818 17 A HN 1.035 nan 8.150 nan 0.000 0.445 18 A N -0.612 122.075 122.820 -0.222 0.000 1.898 18 A HA 0.004 4.325 4.320 0.002 0.000 0.214 18 A C 2.147 179.449 177.584 -0.469 0.000 1.183 18 A CA 1.748 53.327 52.037 -0.763 0.000 0.622 18 A CB -0.402 17.948 19.000 -1.084 0.000 0.824 18 A HN 0.444 nan 8.150 nan 0.000 0.444 19 R N 0.512 120.872 120.500 -0.233 0.000 2.105 19 R HA -0.073 4.268 4.340 0.002 0.000 0.239 19 R C 2.015 178.260 176.300 -0.091 0.000 1.135 19 R CA 2.041 58.065 56.100 -0.127 0.000 0.967 19 R CB -0.775 29.480 30.300 -0.075 0.000 0.861 19 R HN 0.390 nan 8.270 nan 0.000 0.442 20 A N 0.012 122.809 122.820 -0.039 0.000 1.929 20 A HA -0.075 4.246 4.320 0.002 0.000 0.216 20 A C 2.169 179.745 177.584 -0.012 0.000 1.176 20 A CA 1.457 53.541 52.037 0.078 0.000 0.628 20 A CB -0.470 18.634 19.000 0.174 0.000 0.816 20 A HN 0.302 nan 8.150 nan 0.000 0.444 21 R N 0.318 120.814 120.500 -0.006 0.000 2.092 21 R HA -0.003 4.338 4.340 0.002 0.000 0.231 21 R C 2.107 178.420 176.300 0.021 0.000 1.119 21 R CA 1.656 57.788 56.100 0.055 0.000 0.970 21 R CB -0.523 29.889 30.300 0.187 0.000 0.864 21 R HN 0.543 nan 8.270 nan 0.000 0.440 22 R N -0.168 120.328 120.500 -0.005 0.000 2.148 22 R HA -0.025 4.316 4.340 0.002 0.000 0.227 22 R C 2.121 178.353 176.300 -0.113 0.000 1.103 22 R CA 1.348 57.442 56.100 -0.010 0.000 0.983 22 R CB -0.315 29.989 30.300 0.006 0.000 0.874 22 R HN 0.249 nan 8.270 nan 0.000 0.451 23 L N -0.340 120.745 121.223 -0.230 0.000 2.240 23 L HA 0.011 4.352 4.340 0.002 0.000 0.211 23 L C 0.821 177.396 176.870 -0.493 0.000 1.106 23 L CA 0.422 55.001 54.840 -0.434 0.000 0.793 23 L CB 0.153 41.764 42.059 -0.748 0.000 0.927 23 L HN 0.005 nan 8.230 nan 0.000 0.446 24 S N -1.277 114.211 115.700 -0.353 0.000 2.584 24 S HA 0.176 4.647 4.470 0.002 0.000 0.280 24 S C 0.238 174.814 174.600 -0.040 0.000 1.162 24 S CA -0.668 57.413 58.200 -0.199 0.000 0.951 24 S CB 1.174 64.258 63.200 -0.194 0.000 1.108 24 S HN 0.012 nan 8.310 nan 0.000 0.464 25 E N 2.455 122.649 120.200 -0.010 0.000 2.427 25 E HA -0.002 4.349 4.350 0.002 0.000 0.196 25 E C 1.748 178.374 176.600 0.043 0.000 1.028 25 E CA 1.442 57.856 56.400 0.023 0.000 0.864 25 E CB 0.173 29.880 29.700 0.012 0.000 0.813 25 E HN 0.862 nan 8.360 nan 0.000 0.514 26 T N -2.403 112.184 114.554 0.055 0.000 3.040 26 T HA 0.309 4.660 4.350 0.002 0.000 0.252 26 T C 1.103 175.858 174.700 0.091 0.000 1.064 26 T CA 0.257 62.397 62.100 0.066 0.000 1.110 26 T CB 0.143 69.049 68.868 0.063 0.000 0.921 26 T HN 0.052 nan 8.240 nan 0.000 0.480 27 A N 1.831 124.733 122.820 0.136 0.000 2.520 27 A HA 0.302 4.623 4.320 0.002 0.000 0.245 27 A C 0.252 177.903 177.584 0.111 0.000 1.072 27 A CA -0.296 51.841 52.037 0.167 0.000 0.761 27 A CB -0.231 18.961 19.000 0.320 0.000 1.004 27 A HN 0.611 nan 8.150 nan 0.000 0.499 28 E N 2.145 122.395 120.200 0.083 0.000 2.259 28 E HA 0.465 4.816 4.350 0.002 0.000 0.281 28 E C -1.067 175.564 176.600 0.052 0.000 1.037 28 E CA -0.177 56.258 56.400 0.059 0.000 0.854 28 E CB 0.375 30.104 29.700 0.048 0.000 1.051 28 E HN 0.569 nan 8.360 nan 0.000 0.409 29 I N 6.367 126.958 120.570 0.034 0.000 2.439 29 I HA 0.380 4.551 4.170 0.002 0.000 0.285 29 I C -0.357 175.725 176.117 -0.060 0.000 1.021 29 I CA -0.487 60.817 61.300 0.006 0.000 1.091 29 I CB 1.259 39.279 38.000 0.034 0.000 1.242 29 I HN 0.501 nan 8.210 nan 0.000 0.439 33 E N 1.887 122.198 120.200 0.184 0.000 2.278 33 E HA 0.387 4.738 4.350 0.002 0.000 0.272 33 E C 0.248 176.925 176.600 0.128 0.000 0.890 33 E CA -0.755 55.718 56.400 0.121 0.000 0.770 33 E CB 1.434 31.177 29.700 0.072 0.000 1.212 33 E HN 0.603 nan 8.360 nan 0.000 0.415 34 R N 2.746 123.308 120.500 0.104 0.000 2.148 34 R HA 0.136 4.477 4.340 0.002 0.000 0.223 34 R C 0.709 177.038 176.300 0.048 0.000 1.088 34 R CA 1.030 57.176 56.100 0.077 0.000 0.985 34 R CB -0.079 30.249 30.300 0.047 0.000 0.880 34 R HN 0.361 nan 8.270 nan 0.000 0.451 35 G N 0.344 109.168 108.800 0.041 0.000 2.532 35 G HA2 0.012 3.973 3.960 0.002 0.000 0.291 35 G HA3 0.012 3.973 3.960 0.002 0.000 0.291 35 G C -0.121 174.735 174.900 -0.073 0.000 1.349 35 G CA -0.389 44.705 45.100 -0.011 0.000 1.038 35 G HN 0.277 nan 8.290 nan 0.000 0.518 36 E N -1.620 118.441 120.200 -0.232 0.000 2.447 36 E HA 0.073 4.424 4.350 0.002 0.000 0.195 36 E C -0.670 175.621 176.600 -0.516 0.000 1.028 36 E CA 0.070 56.208 56.400 -0.436 0.000 0.876 36 E CB 0.160 29.441 29.700 -0.699 0.000 0.885 36 E HN 0.364 nan 8.360 nan 0.000 0.500 37 Y N 0.167 120.467 120.300 0.000 0.000 2.376 37 Y HA 0.313 4.864 4.550 0.002 0.000 0.340 37 Y C 0.010 176.032 175.900 0.204 0.000 0.965 37 Y CA -1.227 56.908 58.100 0.058 0.000 1.078 37 Y CB 1.809 40.224 38.460 -0.075 0.000 1.193 37 Y HN -0.173 nan 8.280 nan 0.000 0.452 38 V N -1.072 119.053 119.914 0.351 0.000 2.881 38 V HA 0.692 4.813 4.120 0.002 0.000 0.316 38 V C 0.184 176.483 176.094 0.341 0.000 1.070 38 V CA -1.462 61.021 62.300 0.304 0.000 0.976 38 V CB 1.547 33.437 31.823 0.113 0.000 1.038 38 V HN 0.844 nan 8.190 nan 0.000 0.446 39 S N 1.624 117.452 115.700 0.213 0.000 3.628 39 S HA -0.165 4.306 4.470 0.002 0.000 0.373 39 S C -0.410 174.266 174.600 0.126 0.000 0.968 39 S CA 1.290 59.571 58.200 0.135 0.000 1.215 39 S CB -2.243 61.114 63.200 0.260 0.000 0.912 39 S HN 1.651 nan 8.310 nan 0.000 0.495 40 F N -1.560 118.437 119.950 0.079 0.000 2.470 40 F HA 0.856 5.384 4.527 0.001 0.000 0.329 40 F C 0.259 176.072 175.800 0.022 0.000 1.072 40 F CA -1.278 56.738 58.000 0.026 0.000 0.989 40 F CB 1.032 40.023 39.000 -0.016 0.000 1.193 40 F HN 0.102 nan 8.300 nan 0.000 0.481 41 A N 2.826 125.694 122.820 0.081 0.000 2.906 41 A HA 0.207 4.528 4.320 0.002 0.000 0.289 41 A C 0.576 178.216 177.584 0.094 0.000 1.675 41 A CA -0.526 51.526 52.037 0.025 0.000 1.372 41 A CB -1.588 17.447 19.000 0.059 0.000 1.091 41 A HN 0.877 nan 8.150 nan 0.000 0.579 42 N N 1.208 119.887 118.700 -0.035 0.000 2.091 42 N HA -0.200 4.541 4.740 0.002 0.000 0.193 42 N C 1.672 177.264 175.510 0.136 0.000 1.021 42 N CA 2.067 55.184 53.050 0.112 0.000 0.862 42 N CB -0.368 38.132 38.487 0.021 0.000 1.018 42 N HN 0.523 nan 8.380 nan 0.000 0.429 43 S N -0.438 115.320 115.700 0.097 0.000 2.399 43 S HA -0.050 4.421 4.470 0.002 0.000 0.231 43 S C 2.043 176.761 174.600 0.197 0.000 1.022 43 S CA 1.160 59.443 58.200 0.138 0.000 0.983 43 S CB -0.771 62.486 63.200 0.096 0.000 0.803 43 S HN 0.639 nan 8.310 nan 0.000 0.480 44 G N 1.334 110.242 108.800 0.180 0.000 2.598 44 G HA2 -0.003 3.958 3.960 0.002 0.000 0.215 44 G HA3 -0.003 3.958 3.960 0.002 0.000 0.215 44 G C 1.212 176.231 174.900 0.199 0.000 1.131 44 G CA 0.142 45.379 45.100 0.227 0.000 0.785 44 G HN 0.428 nan 8.290 nan 0.000 0.539 45 L N 0.682 121.987 121.223 0.137 0.000 2.012 45 L HA -0.076 4.265 4.340 0.002 0.000 0.210 45 L C 0.039 176.924 176.870 0.025 0.000 1.073 45 L CA 1.292 56.190 54.840 0.095 0.000 0.748 45 L CB -1.489 40.619 42.059 0.081 0.000 0.891 45 L HN 0.146 nan 8.230 nan 0.000 0.431 46 P HA -0.152 nan 4.420 nan 0.000 0.219 46 P C 1.194 178.334 177.300 -0.266 0.000 1.150 46 P CA 1.335 64.290 63.100 -0.242 0.000 0.814 46 P CB -0.059 31.374 31.700 -0.445 0.000 0.787 47 Y N -1.974 118.345 120.300 0.033 0.000 2.373 47 Y HA -0.140 4.411 4.550 0.002 0.000 0.293 47 Y C 2.649 178.577 175.900 0.047 0.000 1.129 47 Y CA 1.250 59.360 58.100 0.016 0.000 1.226 47 Y CB -1.381 37.084 38.460 0.008 0.000 1.000 47 Y HN 0.136 nan 8.280 nan 0.000 0.549 48 H N -0.148 118.977 119.070 0.091 0.000 2.436 48 H HA -0.031 4.526 4.556 0.001 0.000 0.294 48 H C 1.929 177.276 175.328 0.031 0.000 1.048 48 H CA 1.229 57.309 56.048 0.054 0.000 1.353 48 H CB -0.313 29.469 29.762 0.033 0.000 1.414 48 H HN 0.260 nan 8.280 nan 0.000 0.536 49 I N 0.198 120.707 120.570 -0.100 0.000 2.118 49 I HA -0.336 3.835 4.170 0.002 0.000 0.241 49 I C 2.529 178.589 176.117 -0.094 0.000 1.070 49 I CA 1.786 63.008 61.300 -0.129 0.000 1.327 49 I CB -0.450 37.508 38.000 -0.070 0.000 1.034 49 I HN 0.433 nan 8.210 nan 0.000 0.405 50 S N 0.446 116.128 115.700 -0.029 0.000 2.442 50 S HA -0.029 4.442 4.470 0.002 0.000 0.236 50 S C 1.828 176.474 174.600 0.077 0.000 1.007 50 S CA 0.741 58.980 58.200 0.066 0.000 0.965 50 S CB -0.325 62.898 63.200 0.037 0.000 0.773 50 S HN 0.706 nan 8.310 nan 0.000 0.504 51 G N 0.683 109.465 108.800 -0.030 0.000 2.159 51 G HA2 -0.334 3.627 3.960 0.002 0.000 0.256 51 G HA3 -0.334 3.627 3.960 0.002 0.000 0.256 51 G C 0.486 175.419 174.900 0.056 0.000 0.977 51 G CA 0.591 45.690 45.100 -0.002 0.000 0.652 51 G HN 0.539 nan 8.290 nan 0.000 0.531 52 E N -0.353 119.868 120.200 0.037 0.000 2.118 52 E HA 0.062 4.413 4.350 0.002 0.000 0.195 52 E C 1.308 177.941 176.600 0.056 0.000 0.992 52 E CA 0.930 57.339 56.400 0.015 0.000 0.804 52 E CB -0.012 29.700 29.700 0.020 0.000 0.741 52 E HN 0.668 nan 8.360 nan 0.000 0.458 53 I N 0.361 121.005 120.570 0.123 0.000 2.307 53 I HA 0.161 4.332 4.170 0.002 0.000 0.289 53 I C 0.702 176.965 176.117 0.242 0.000 1.021 53 I CA -0.417 60.973 61.300 0.151 0.000 1.224 53 I CB 1.644 39.758 38.000 0.191 0.000 1.376 53 I HN 0.071 nan 8.210 nan 0.000 0.470 54 A N 5.694 128.613 122.820 0.166 0.000 1.975 54 A HA 0.061 4.382 4.320 0.002 0.000 0.215 54 A C 0.946 178.671 177.584 0.235 0.000 1.170 54 A CA 0.909 53.047 52.037 0.169 0.000 0.656 54 A CB 0.111 19.167 19.000 0.093 0.000 0.821 54 A HN 0.727 nan 8.150 nan 0.000 0.449 55 Q N -1.530 118.357 119.800 0.145 0.000 2.353 55 Q HA 0.402 4.743 4.340 0.002 0.000 0.268 55 Q C 0.203 176.088 176.000 -0.191 0.000 1.045 55 Q CA -0.623 55.202 55.803 0.036 0.000 0.811 55 Q CB 2.146 30.890 28.738 0.009 0.000 1.305 55 Q HN 0.419 nan 8.270 nan 0.000 0.447 56 R N 0.736 121.037 120.500 -0.332 0.000 2.189 56 R HA -0.112 4.229 4.340 0.002 0.000 0.223 56 R C 1.734 177.864 176.300 -0.284 0.000 1.092 56 R CA 1.777 57.544 56.100 -0.555 0.000 0.989 56 R CB 0.192 30.289 30.300 -0.338 0.000 0.876 56 R HN 0.693 nan 8.270 nan 0.000 0.457 57 S N -0.713 114.896 115.700 -0.152 0.000 2.461 57 S HA 0.023 4.494 4.470 0.002 0.000 0.228 57 S C 2.005 176.564 174.600 -0.068 0.000 1.005 57 S CA 0.556 58.703 58.200 -0.087 0.000 0.942 57 S CB 0.217 63.394 63.200 -0.038 0.000 0.776 57 S HN 0.360 nan 8.310 nan 0.000 0.514 58 A N 1.818 124.594 122.820 -0.074 0.000 2.125 58 A HA 0.187 4.508 4.320 0.002 0.000 0.219 58 A C 2.045 179.609 177.584 -0.034 0.000 1.156 58 A CA 1.014 53.027 52.037 -0.040 0.000 0.671 58 A CB -0.742 18.245 19.000 -0.021 0.000 0.794 58 A HN 0.603 nan 8.150 nan 0.000 0.459 59 L N -0.781 120.401 121.223 -0.069 0.000 2.558 59 L HA 0.094 4.435 4.340 0.002 0.000 0.225 59 L C -0.174 176.708 176.870 0.020 0.000 1.128 59 L CA -0.084 54.743 54.840 -0.022 0.000 0.868 59 L CB 0.058 42.077 42.059 -0.067 0.000 1.006 59 L HN 0.055 nan 8.230 nan 0.000 0.454 60 V N 1.410 121.323 119.914 -0.002 0.000 2.311 60 V HA 0.165 4.286 4.120 0.002 0.000 0.275 60 V C 0.924 177.061 176.094 0.071 0.000 1.022 60 V CA -0.186 62.147 62.300 0.056 0.000 0.830 60 V CB 1.583 33.426 31.823 0.034 0.000 1.012 60 V HN 0.206 nan 8.190 nan 0.000 0.452 61 L N 2.754 124.033 121.223 0.094 0.000 2.307 61 L HA 0.256 4.597 4.340 0.002 0.000 0.211 61 L C 0.877 177.796 176.870 0.082 0.000 1.099 61 L CA 0.671 55.553 54.840 0.070 0.000 0.816 61 L CB -0.048 42.041 42.059 0.050 0.000 0.952 61 L HN 0.573 nan 8.230 nan 0.000 0.455 62 Q N -0.301 119.587 119.800 0.146 0.000 2.626 62 Q HA 0.514 4.855 4.340 0.002 0.000 0.300 62 Q C -0.702 175.431 176.000 0.222 0.000 0.988 62 Q CA -0.316 55.584 55.803 0.162 0.000 0.761 62 Q CB 2.470 31.338 28.738 0.216 0.000 1.494 62 Q HN 0.105 nan 8.270 nan 0.000 0.439 63 T N -3.863 110.823 114.554 0.221 0.000 2.865 63 T HA 0.490 4.841 4.350 0.002 0.000 0.294 63 T C -2.343 172.496 174.700 0.231 0.000 1.119 63 T CA -1.801 60.419 62.100 0.201 0.000 1.007 63 T CB 1.921 70.867 68.868 0.131 0.000 1.225 63 T HN 0.084 nan 8.240 nan 0.000 0.515 64 P HA 0.050 nan 4.420 nan 0.000 0.218 64 P C 1.051 178.435 177.300 0.140 0.000 1.149 64 P CA 0.952 64.130 63.100 0.130 0.000 0.817 64 P CB 0.106 31.831 31.700 0.042 0.000 0.785 65 E N -0.503 119.756 120.200 0.100 0.000 2.107 65 E HA -0.120 4.230 4.350 0.002 0.000 0.191 65 E C 2.139 178.782 176.600 0.071 0.000 0.982 65 E CA 1.548 57.989 56.400 0.069 0.000 0.809 65 E CB -0.718 29.009 29.700 0.043 0.000 0.756 65 E HN 0.279 nan 8.360 nan 0.000 0.459 66 S N -0.270 115.479 115.700 0.082 0.000 2.402 66 S HA -0.120 4.351 4.470 0.002 0.000 0.229 66 S C 1.860 176.471 174.600 0.018 0.000 1.021 66 S CA 0.530 58.744 58.200 0.024 0.000 0.974 66 S CB -0.404 62.800 63.200 0.008 0.000 0.800 66 S HN 0.173 nan 8.310 nan 0.000 0.484 67 F N 2.295 122.286 119.950 0.069 0.000 2.259 67 F HA 0.222 4.751 4.527 0.002 0.000 0.298 67 F C 2.417 178.275 175.800 0.098 0.000 1.088 67 F CA 1.215 59.294 58.000 0.132 0.000 1.358 67 F CB -0.168 38.897 39.000 0.108 0.000 1.040 67 F HN 0.214 nan 8.300 nan 0.000 0.505 68 K N 0.485 121.017 120.400 0.220 0.000 2.076 68 K HA 0.046 4.367 4.320 0.002 0.000 0.204 68 K C 2.084 178.712 176.600 0.047 0.000 1.051 68 K CA 1.354 57.716 56.287 0.125 0.000 0.949 68 K CB -0.610 31.937 32.500 0.078 0.000 0.726 68 K HN 0.060 nan 8.250 nan 0.000 0.443 69 A N 1.079 123.903 122.820 0.007 0.000 1.865 69 A HA -0.188 4.133 4.320 0.002 0.000 0.217 69 A C 2.315 179.822 177.584 -0.129 0.000 1.191 69 A CA 2.014 54.020 52.037 -0.052 0.000 0.623 69 A CB -0.655 18.310 19.000 -0.058 0.000 0.826 69 A HN 0.409 nan 8.150 nan 0.000 0.444 70 R N -2.217 118.145 120.500 -0.230 0.000 2.055 70 R HA 0.005 4.346 4.340 0.002 0.000 0.226 70 R C 0.965 176.903 176.300 -0.603 0.000 1.135 70 R CA 1.620 57.404 56.100 -0.526 0.000 0.959 70 R CB -0.179 29.620 30.300 -0.834 0.000 0.854 70 R HN 0.455 nan 8.270 nan 0.000 0.431 71 F N 0.280 120.209 119.950 -0.034 0.000 2.682 71 F HA 0.268 4.796 4.527 0.002 0.000 0.308 71 F C 0.320 176.157 175.800 0.062 0.000 1.093 71 F CA -0.478 57.534 58.000 0.020 0.000 1.244 71 F CB -0.052 38.982 39.000 0.056 0.000 1.052 71 F HN 0.078 nan 8.300 nan 0.000 0.573 72 N N 1.183 119.977 118.700 0.155 0.000 2.708 72 N HA -0.221 4.519 4.740 0.002 0.000 0.251 72 N C -0.627 174.970 175.510 0.144 0.000 1.017 72 N CA 0.508 53.630 53.050 0.119 0.000 0.742 72 N CB -0.977 37.557 38.487 0.077 0.000 0.943 72 N HN 0.157 nan 8.380 nan 0.000 0.539 73 V N 0.260 120.299 119.914 0.208 0.000 2.394 73 V HA 0.307 4.428 4.120 0.002 0.000 0.282 73 V C 0.263 176.389 176.094 0.053 0.000 1.031 73 V CA -0.765 61.617 62.300 0.136 0.000 0.881 73 V CB 1.542 33.479 31.823 0.189 0.000 0.982 73 V HN 0.302 nan 8.190 nan 0.000 0.451 74 E N 5.572 125.752 120.200 -0.034 0.000 1.996 74 E HA 0.319 4.670 4.350 0.002 0.000 0.280 74 E C -1.055 175.436 176.600 -0.181 0.000 1.092 74 E CA -0.401 55.947 56.400 -0.086 0.000 0.862 74 E CB 1.130 30.775 29.700 -0.092 0.000 1.066 74 E HN 0.648 nan 8.360 nan 0.000 0.396 75 V N 5.901 125.719 119.914 -0.159 0.000 2.465 75 V HA 0.298 4.418 4.120 0.002 0.000 0.279 75 V C 0.337 176.302 176.094 -0.214 0.000 1.045 75 V CA -0.394 61.776 62.300 -0.218 0.000 0.938 75 V CB 1.253 32.976 31.823 -0.167 0.000 0.986 75 V HN 0.615 nan 8.190 nan 0.000 0.467 76 R N 3.475 123.815 120.500 -0.266 0.000 2.312 76 R HA 0.458 4.799 4.340 0.002 0.000 0.310 76 R C -0.504 175.701 176.300 -0.158 0.000 1.064 76 R CA -0.472 55.427 56.100 -0.336 0.000 0.983 76 R CB 1.663 31.658 30.300 -0.507 0.000 1.139 76 R HN 0.713 nan 8.270 nan 0.000 0.536 77 V N -0.081 119.775 119.914 -0.095 0.000 2.881 77 V HA 0.222 4.343 4.120 0.002 0.000 0.303 77 V C 0.479 176.652 176.094 0.130 0.000 1.070 77 V CA -0.788 61.515 62.300 0.006 0.000 1.074 77 V CB 0.875 32.676 31.823 -0.037 0.000 1.012 77 V HN 0.726 nan 8.190 nan 0.000 0.482 78 K N 0.775 121.252 120.400 0.129 0.000 3.035 78 K HA -0.202 4.119 4.320 0.002 0.000 0.262 78 K C -0.124 176.659 176.600 0.305 0.000 1.024 78 K CA 1.622 58.008 56.287 0.165 0.000 0.748 78 K CB -2.110 30.453 32.500 0.104 0.000 1.247 78 K HN 0.983 nan 8.250 nan 0.000 0.482 79 H N 0.008 119.138 119.070 0.101 0.000 2.505 79 H HA 0.276 4.833 4.556 0.002 0.000 0.338 79 H C -0.523 174.840 175.328 0.058 0.000 1.057 79 H CA -0.850 55.276 56.048 0.129 0.000 1.202 79 H CB 1.643 31.593 29.762 0.312 0.000 1.466 79 H HN 0.189 nan 8.280 nan 0.000 0.499 80 E N 3.376 123.582 120.200 0.011 0.000 2.158 80 E HA 0.261 4.612 4.350 0.002 0.000 0.271 80 E C -0.920 175.570 176.600 -0.183 0.000 0.911 80 E CA -0.846 55.523 56.400 -0.052 0.000 0.767 80 E CB 1.568 31.239 29.700 -0.048 0.000 1.120 80 E HN 0.275 nan 8.360 nan 0.000 0.405 81 V N 5.503 125.276 119.914 -0.234 0.000 2.508 81 V HA 0.028 4.149 4.120 0.002 0.000 0.281 81 V C 1.080 177.052 176.094 -0.202 0.000 1.041 81 V CA 0.066 62.168 62.300 -0.330 0.000 1.016 81 V CB 1.023 32.614 31.823 -0.387 0.000 0.984 81 V HN 0.721 nan 8.190 nan 0.000 0.478 82 V N 1.683 121.479 119.914 -0.197 0.000 3.645 82 V HA 0.771 4.892 4.120 0.002 0.000 0.275 82 V C 0.522 176.550 176.094 -0.110 0.000 1.356 82 V CA 0.563 62.783 62.300 -0.133 0.000 1.051 82 V CB 0.060 31.810 31.823 -0.122 0.000 0.828 82 V HN 0.900 nan 8.190 nan 0.000 0.441 83 A N 0.211 122.957 122.820 -0.124 0.000 2.589 83 A HA 0.844 5.165 4.320 0.002 0.000 0.296 83 A C -1.334 176.205 177.584 -0.074 0.000 1.062 83 A CA -0.537 51.450 52.037 -0.085 0.000 0.686 83 A CB 1.577 20.538 19.000 -0.065 0.000 1.282 83 A HN 0.259 nan 8.150 nan 0.000 0.404 84 I N 1.545 122.091 120.570 -0.040 0.000 2.406 84 I HA 0.336 4.507 4.170 0.002 0.000 0.290 84 I C -0.998 175.140 176.117 0.034 0.000 0.999 84 I CA -0.458 60.845 61.300 0.006 0.000 1.124 84 I CB 2.043 40.038 38.000 -0.008 0.000 1.289 84 I HN 0.616 nan 8.210 nan 0.000 0.441 85 D N 6.415 126.857 120.400 0.071 0.000 2.473 85 D HA 0.250 4.891 4.640 0.002 0.000 0.226 85 D C 0.928 177.274 176.300 0.076 0.000 1.089 85 D CA -0.304 53.725 54.000 0.048 0.000 0.883 85 D CB 0.973 41.785 40.800 0.021 0.000 1.029 85 D HN 0.442 nan 8.370 nan 0.000 0.517 86 R N 2.151 122.695 120.500 0.073 0.000 2.115 86 R HA -0.003 4.338 4.340 0.002 0.000 0.226 86 R C 1.814 178.138 176.300 0.040 0.000 1.100 86 R CA 1.000 57.164 56.100 0.108 0.000 0.980 86 R CB 0.109 30.456 30.300 0.079 0.000 0.875 86 R HN 0.393 nan 8.270 nan 0.000 0.445 87 A N 1.079 123.905 122.820 0.010 0.000 1.969 87 A HA -0.008 4.313 4.320 0.002 0.000 0.218 87 A C 2.110 179.669 177.584 -0.041 0.000 1.169 87 A CA 1.573 53.603 52.037 -0.012 0.000 0.635 87 A CB -0.194 18.800 19.000 -0.009 0.000 0.810 87 A HN 0.347 nan 8.150 nan 0.000 0.445 88 A N -1.257 121.533 122.820 -0.050 0.000 2.267 88 A HA 0.341 4.662 4.320 0.002 0.000 0.213 88 A C 0.814 178.298 177.584 -0.166 0.000 1.192 88 A CA 0.449 52.439 52.037 -0.079 0.000 0.851 88 A CB -0.318 18.652 19.000 -0.050 0.000 0.881 88 A HN 0.428 nan 8.150 nan 0.000 0.494 89 K N -1.122 119.129 120.400 -0.249 0.000 3.419 89 K HA -0.158 4.163 4.320 0.002 0.000 0.272 89 K C -1.259 175.018 176.600 -0.539 0.000 0.973 89 K CA 0.365 56.209 56.287 -0.738 0.000 0.749 89 K CB -1.436 30.539 32.500 -0.876 0.000 1.403 89 K HN 0.273 nan 8.250 nan 0.000 0.456 90 L N 0.673 121.835 121.223 -0.102 0.000 2.436 90 L HA 0.476 4.817 4.340 0.002 0.000 0.268 90 L C -0.242 176.730 176.870 0.169 0.000 0.974 90 L CA -1.001 53.868 54.840 0.047 0.000 0.826 90 L CB 2.064 44.124 42.059 0.003 0.000 1.291 90 L HN 0.119 nan 8.230 nan 0.000 0.406 91 V N -0.241 119.767 119.914 0.156 0.000 2.732 91 V HA 0.807 4.928 4.120 0.002 0.000 0.310 91 V C 0.100 176.133 176.094 -0.101 0.000 1.053 91 V CA -0.430 61.874 62.300 0.007 0.000 0.957 91 V CB 1.645 33.420 31.823 -0.080 0.000 1.018 91 V HN 0.780 nan 8.190 nan 0.000 0.452 92 T N 3.301 117.762 114.554 -0.157 0.000 2.799 92 T HA 0.654 5.005 4.350 0.002 0.000 0.286 92 T C -0.296 174.181 174.700 -0.371 0.000 0.973 92 T CA -0.292 61.676 62.100 -0.220 0.000 1.035 92 T CB 1.315 70.097 68.868 -0.142 0.000 0.932 92 T HN 0.741 nan 8.240 nan 0.000 0.469 93 V N 3.548 123.119 119.914 -0.572 0.000 2.540 93 V HA 0.536 4.657 4.120 0.002 0.000 0.302 93 V C 0.036 175.788 176.094 -0.570 0.000 1.035 93 V CA -1.097 60.762 62.300 -0.734 0.000 0.873 93 V CB 1.795 32.870 31.823 -1.247 0.000 0.992 93 V HN 0.752 nan 8.190 nan 0.000 0.428 94 R N 3.958 124.245 120.500 -0.354 0.000 2.255 94 R HA 0.484 4.825 4.340 0.002 0.000 0.326 94 R C -0.180 175.985 176.300 -0.227 0.000 0.986 94 R CA -0.576 55.388 56.100 -0.228 0.000 0.847 94 R CB 0.773 30.984 30.300 -0.148 0.000 1.111 94 R HN 0.676 nan 8.270 nan 0.000 0.452 95 R N 5.635 126.007 120.500 -0.215 0.000 2.248 95 R HA 0.098 4.439 4.340 0.002 0.000 0.337 95 R C 0.776 177.006 176.300 -0.115 0.000 1.085 95 R CA -0.167 55.770 56.100 -0.271 0.000 0.934 95 R CB 0.489 30.667 30.300 -0.202 0.000 1.034 95 R HN 0.675 nan 8.270 nan 0.000 0.465 96 L N 2.738 123.914 121.223 -0.078 0.000 2.265 96 L HA -0.208 4.133 4.340 0.002 0.000 0.215 96 L C 1.842 178.702 176.870 -0.018 0.000 1.117 96 L CA 0.780 55.599 54.840 -0.034 0.000 0.782 96 L CB -0.349 41.702 42.059 -0.012 0.000 0.914 96 L HN 0.597 nan 8.230 nan 0.000 0.441 97 L N 0.062 121.280 121.223 -0.007 0.000 1.990 97 L HA -0.286 4.055 4.340 0.002 0.000 0.213 97 L C 1.832 178.698 176.870 -0.006 0.000 1.072 97 L CA 2.078 56.919 54.840 0.001 0.000 0.755 97 L CB -0.371 41.697 42.059 0.016 0.000 0.889 97 L HN 0.217 nan 8.230 nan 0.000 0.432 98 D N -2.267 118.126 120.400 -0.012 0.000 2.379 98 D HA 0.173 4.814 4.640 0.002 0.000 0.218 98 D C 1.569 177.860 176.300 -0.015 0.000 1.006 98 D CA 0.949 54.943 54.000 -0.009 0.000 0.893 98 D CB 0.422 41.218 40.800 -0.006 0.000 1.019 98 D HN 0.310 nan 8.370 nan 0.000 0.503 99 G N 0.669 109.453 108.800 -0.026 0.000 2.168 99 G HA2 -0.304 3.657 3.960 0.002 0.000 0.263 99 G HA3 -0.304 3.657 3.960 0.002 0.000 0.263 99 G C 0.477 175.361 174.900 -0.026 0.000 0.977 99 G CA 0.724 45.807 45.100 -0.029 0.000 0.659 99 G HN 0.486 nan 8.290 nan 0.000 0.533 100 S N -0.006 115.685 115.700 -0.016 0.000 2.603 100 S HA 0.652 5.123 4.470 0.002 0.000 0.268 100 S C 0.024 174.629 174.600 0.008 0.000 1.317 100 S CA 0.228 58.431 58.200 0.006 0.000 1.012 100 S CB 1.775 64.992 63.200 0.029 0.000 0.926 100 S HN 0.944 nan 8.310 nan 0.000 0.539 101 E N 0.121 120.340 120.200 0.031 0.000 2.416 101 E HA 0.677 5.028 4.350 0.002 0.000 0.273 101 E C -1.420 175.263 176.600 0.138 0.000 0.935 101 E CA -1.099 55.310 56.400 0.015 0.000 0.784 101 E CB 1.429 31.080 29.700 -0.082 0.000 1.301 101 E HN 0.834 nan 8.360 nan 0.000 0.454 102 Y N -1.297 118.987 120.300 -0.028 0.000 2.655 102 Y HA 0.593 5.144 4.550 0.002 0.000 0.336 102 Y C -1.172 174.727 175.900 -0.001 0.000 1.154 102 Y CA -1.305 56.794 58.100 -0.002 0.000 1.055 102 Y CB 1.318 39.794 38.460 0.026 0.000 1.295 102 Y HN 0.437 nan 8.280 nan 0.000 0.465 103 Q N 0.876 120.797 119.800 0.201 0.000 2.257 103 Q HA 0.555 4.896 4.340 0.002 0.000 0.262 103 Q C -1.522 174.639 176.000 0.267 0.000 0.997 103 Q CA -0.786 55.088 55.803 0.118 0.000 0.873 103 Q CB 2.055 30.840 28.738 0.078 0.000 1.312 103 Q HN 0.641 nan 8.270 nan 0.000 0.450 104 E N 0.041 120.356 120.200 0.191 0.000 2.275 104 E HA 0.397 4.748 4.350 0.002 0.000 0.270 104 E C -1.433 175.291 176.600 0.207 0.000 0.882 104 E CA -0.484 56.077 56.400 0.269 0.000 0.758 104 E CB 1.296 31.249 29.700 0.421 0.000 1.195 104 E HN 0.591 nan 8.360 nan 0.000 0.419 105 S N 2.803 118.595 115.700 0.153 0.000 2.603 105 S HA 0.569 5.040 4.470 0.002 0.000 0.268 105 S C -0.418 174.288 174.600 0.176 0.000 1.317 105 S CA -0.453 57.794 58.200 0.079 0.000 1.012 105 S CB 0.318 63.523 63.200 0.009 0.000 0.926 105 S HN 0.551 nan 8.310 nan 0.000 0.539 106 Y N -1.807 118.528 120.300 0.058 0.000 2.553 106 Y HA 0.609 5.160 4.550 0.002 0.000 0.347 106 Y C -0.196 175.721 175.900 0.028 0.000 1.019 106 Y CA -1.216 56.915 58.100 0.051 0.000 1.032 106 Y CB 0.880 39.377 38.460 0.061 0.000 1.284 106 Y HN 0.442 nan 8.280 nan 0.000 0.466 107 D N 0.597 121.103 120.400 0.176 0.000 2.216 107 D HA 0.026 4.667 4.640 0.002 0.000 0.208 107 D C 0.098 176.571 176.300 0.289 0.000 0.960 107 D CA 1.404 55.476 54.000 0.120 0.000 0.861 107 D CB 0.602 41.430 40.800 0.047 0.000 0.985 107 D HN 0.548 nan 8.370 nan 0.000 0.493 108 T N -0.110 114.640 114.554 0.326 0.000 2.923 108 T HA 0.470 4.821 4.350 0.002 0.000 0.311 108 T C -2.040 172.697 174.700 0.061 0.000 1.183 108 T CA -0.703 61.540 62.100 0.239 0.000 1.020 108 T CB 1.419 70.342 68.868 0.092 0.000 1.165 108 T HN -0.150 nan 8.240 nan 0.000 0.482 109 L N 4.370 125.509 121.223 -0.140 0.000 2.362 109 L HA 0.918 5.259 4.340 0.002 0.000 0.271 109 L C -1.655 175.162 176.870 -0.087 0.000 1.002 109 L CA -0.992 53.667 54.840 -0.302 0.000 0.818 109 L CB 1.707 43.342 42.059 -0.706 0.000 1.298 109 L HN 0.689 nan 8.230 nan 0.000 0.420 110 L N 4.952 126.142 121.223 -0.056 0.000 2.356 110 L HA 0.591 4.932 4.340 0.002 0.000 0.277 110 L C -1.671 175.188 176.870 -0.020 0.000 0.996 110 L CA -0.271 54.569 54.840 -0.000 0.000 0.822 110 L CB 1.555 43.605 42.059 -0.015 0.000 1.256 110 L HN 0.527 nan 8.230 nan 0.000 0.413 111 L N 4.549 125.763 121.223 -0.015 0.000 2.257 111 L HA 0.482 4.823 4.340 0.002 0.000 0.290 111 L C 0.289 177.151 176.870 -0.013 0.000 1.044 111 L CA -0.232 54.594 54.840 -0.024 0.000 0.810 111 L CB 1.474 43.513 42.059 -0.034 0.000 1.193 111 L HN 0.788 nan 8.230 nan 0.000 0.425 112 S N 4.231 119.925 115.700 -0.009 0.000 2.399 112 S HA 0.314 4.785 4.470 0.002 0.000 0.198 112 S C -1.446 173.154 174.600 -0.001 0.000 1.294 112 S CA -0.813 57.380 58.200 -0.011 0.000 1.237 112 S CB 0.426 63.615 63.200 -0.019 0.000 1.286 112 S HN 0.489 nan 8.310 nan 0.000 0.404 113 P HA 0.248 nan 4.420 nan 0.000 0.241 113 P C 1.086 178.399 177.300 0.021 0.000 1.191 113 P CA 0.885 63.992 63.100 0.012 0.000 0.771 113 P CB -0.210 31.490 31.700 0.001 0.000 0.929 114 G N 0.528 109.336 108.800 0.014 0.000 2.512 114 G HA2 0.075 4.036 3.960 0.002 0.000 0.240 114 G HA3 0.075 4.036 3.960 0.002 0.000 0.240 114 G C -0.666 174.247 174.900 0.021 0.000 1.246 114 G CA -0.221 44.892 45.100 0.021 0.000 0.919 114 G HN 0.610 nan 8.290 nan 0.000 0.577 115 A N -1.183 121.655 122.820 0.030 0.000 2.520 115 A HA 1.028 5.349 4.320 0.002 0.000 0.298 115 A C 0.014 177.615 177.584 0.029 0.000 1.051 115 A CA 0.693 52.744 52.037 0.025 0.000 0.690 115 A CB 1.295 20.311 19.000 0.027 0.000 1.281 115 A HN 2.586 nan 8.150 nan 0.000 0.402 116 A N 2.331 125.162 122.820 0.019 0.000 2.312 116 A HA 0.901 5.222 4.320 0.002 0.000 0.328 116 A C -2.819 174.770 177.584 0.008 0.000 1.158 116 A CA -1.899 50.148 52.037 0.017 0.000 0.821 116 A CB 0.331 19.338 19.000 0.011 0.000 1.170 116 A HN 0.508 nan 8.150 nan 0.000 0.490 117 P HA 0.233 nan 4.420 nan 0.000 0.271 117 P C -0.574 176.720 177.300 -0.011 0.000 1.218 117 P CA 0.112 63.207 63.100 -0.008 0.000 0.780 117 P CB 0.323 32.017 31.700 -0.010 0.000 0.901 118 I N 1.760 122.320 120.570 -0.018 0.000 2.496 118 I HA 0.047 4.218 4.170 0.002 0.000 0.285 118 I C 0.159 176.266 176.117 -0.017 0.000 1.080 118 I CA -0.264 61.027 61.300 -0.016 0.000 1.404 118 I CB 0.599 38.588 38.000 -0.018 0.000 1.403 118 I HN -0.001 nan 8.210 nan 0.000 0.539 119 V N 8.370 128.275 119.914 -0.014 0.000 2.364 119 V HA 0.271 4.392 4.120 0.002 0.000 0.272 119 V C -1.828 174.256 176.094 -0.016 0.000 1.036 119 V CA -1.339 60.952 62.300 -0.015 0.000 0.880 119 V CB 0.603 32.418 31.823 -0.013 0.000 0.991 119 V HN 0.636 nan 8.190 nan 0.000 0.460 120 P HA 0.378 nan 4.420 nan 0.000 0.288 120 P C -2.473 174.818 177.300 -0.015 0.000 1.267 120 P CA -2.053 61.037 63.100 -0.017 0.000 0.815 120 P CB 0.822 32.511 31.700 -0.019 0.000 0.989 121 P HA 0.226 nan 4.420 nan 0.000 0.225 121 P C -0.299 176.994 177.300 -0.011 0.000 1.768 121 P CA 0.036 63.129 63.100 -0.012 0.000 0.943 121 P CB -0.336 31.358 31.700 -0.010 0.000 1.936 122 I N 2.491 123.053 120.570 -0.013 0.000 2.342 122 I HA 0.224 4.395 4.170 0.002 0.000 0.291 122 I C -1.888 174.222 176.117 -0.012 0.000 1.010 122 I CA -2.738 58.554 61.300 -0.013 0.000 1.308 122 I CB 0.775 38.765 38.000 -0.016 0.000 1.400 122 I HN -0.078 nan 8.210 nan 0.000 0.488 123 P HA 0.096 nan 4.420 nan 0.000 0.263 123 P C 0.780 178.078 177.300 -0.004 0.000 1.195 123 P CA 0.463 63.560 63.100 -0.005 0.000 0.762 123 P CB 0.613 32.312 31.700 -0.001 0.000 0.799 124 G N 1.777 110.575 108.800 -0.003 0.000 2.175 124 G HA2 -0.298 3.663 3.960 0.002 0.000 0.244 124 G HA3 -0.298 3.663 3.960 0.002 0.000 0.244 124 G C 0.901 175.791 174.900 -0.015 0.000 0.982 124 G CA 0.087 45.189 45.100 0.004 0.000 0.641 124 G HN 0.508 nan 8.290 nan 0.000 0.527 125 V N 1.018 120.916 119.914 -0.026 0.000 2.515 125 V HA 0.077 4.198 4.120 0.002 0.000 0.250 125 V C 1.285 177.339 176.094 -0.066 0.000 1.058 125 V CA 2.369 64.643 62.300 -0.043 0.000 1.064 125 V CB -0.057 31.744 31.823 -0.036 0.000 0.675 125 V HN 0.550 nan 8.190 nan 0.000 0.461 126 D N 1.194 121.559 120.400 -0.059 0.000 2.374 126 D HA 0.289 4.930 4.640 0.002 0.000 0.240 126 D C -0.317 175.911 176.300 -0.120 0.000 1.229 126 D CA -0.038 53.916 54.000 -0.078 0.000 0.895 126 D CB -0.293 40.477 40.800 -0.052 0.000 1.046 126 D HN 0.810 nan 8.370 nan 0.000 0.498 127 N N 1.289 119.870 118.700 -0.198 0.000 2.927 127 N HA 0.425 5.166 4.740 0.002 0.000 0.248 127 N C -2.577 172.681 175.510 -0.420 0.000 1.443 127 N CA -1.195 51.644 53.050 -0.352 0.000 0.870 127 N CB 0.958 39.203 38.487 -0.403 0.000 1.444 127 N HN -0.118 nan 8.380 nan 0.000 0.519 128 P HA 0.082 nan 4.420 nan 0.000 0.234 128 P C 0.260 177.352 177.300 -0.347 0.000 1.167 128 P CA 0.869 63.747 63.100 -0.370 0.000 0.763 128 P CB 0.227 31.743 31.700 -0.306 0.000 0.835 129 L N -1.689 119.284 121.223 -0.417 0.000 2.808 129 L HA 0.226 4.567 4.340 0.002 0.000 0.246 129 L C 0.803 177.389 176.870 -0.474 0.000 1.153 129 L CA -0.004 54.644 54.840 -0.320 0.000 0.956 129 L CB 0.368 42.370 42.059 -0.095 0.000 1.270 129 L HN -0.069 nan 8.230 nan 0.000 0.528 130 T N -1.331 112.851 114.554 -0.620 0.000 2.841 130 T HA 0.578 4.929 4.350 0.002 0.000 0.283 130 T C -0.944 173.465 174.700 -0.484 0.000 1.000 130 T CA -0.204 61.625 62.100 -0.451 0.000 0.977 130 T CB 1.313 70.053 68.868 -0.213 0.000 0.979 130 T HN 0.217 nan 8.240 nan 0.000 0.446 131 H N 0.858 119.900 119.070 -0.047 0.000 3.046 131 H HA 0.580 5.137 4.556 0.002 0.000 0.363 131 H C -0.436 174.868 175.328 -0.039 0.000 1.203 131 H CA -1.058 54.965 56.048 -0.041 0.000 1.169 131 H CB 2.189 31.929 29.762 -0.037 0.000 1.851 131 H HN 0.864 nan 8.280 nan 0.000 0.546 132 S N 1.436 117.195 115.700 0.098 0.000 2.759 132 S HA 0.668 5.139 4.470 0.002 0.000 0.310 132 S C -1.234 173.381 174.600 0.025 0.000 1.123 132 S CA -0.892 57.331 58.200 0.038 0.000 0.959 132 S CB 1.889 65.095 63.200 0.011 0.000 1.172 132 S HN 0.385 nan 8.310 nan 0.000 0.539 133 L N 0.813 122.036 121.223 0.001 0.000 2.415 133 L HA 0.632 4.973 4.340 0.002 0.000 0.268 133 L C 0.377 177.258 176.870 0.017 0.000 0.984 133 L CA -0.222 54.617 54.840 -0.002 0.000 0.853 133 L CB 1.416 43.465 42.059 -0.017 0.000 1.215 133 L HN 0.977 nan 8.230 nan 0.000 0.419 134 R N 2.654 123.177 120.500 0.038 0.000 2.428 134 R HA 0.335 4.676 4.340 0.002 0.000 0.193 134 R C -0.353 176.030 176.300 0.139 0.000 0.852 134 R CA 0.503 56.652 56.100 0.082 0.000 1.055 134 R CB 0.497 30.840 30.300 0.071 0.000 1.343 134 R HN 0.782 nan 8.270 nan 0.000 0.655 135 N N -1.297 117.440 118.700 0.061 0.000 2.831 135 N HA 0.165 4.906 4.740 0.002 0.000 0.276 135 N C 0.340 175.766 175.510 -0.139 0.000 1.416 135 N CA -0.667 52.357 53.050 -0.045 0.000 0.799 135 N CB 0.248 38.662 38.487 -0.122 0.000 1.554 135 N HN -0.150 nan 8.380 nan 0.000 0.541 136 I N -0.308 120.058 120.570 -0.340 0.000 2.194 136 I HA -0.094 4.077 4.170 0.002 0.000 0.246 136 I C -0.986 175.067 176.117 -0.108 0.000 1.093 136 I CA 1.399 62.544 61.300 -0.258 0.000 1.355 136 I CB -1.221 36.471 38.000 -0.513 0.000 1.046 136 I HN 0.622 nan 8.210 nan 0.000 0.413 137 P HA -0.050 nan 4.420 nan 0.000 0.219 137 P C 0.377 177.645 177.300 -0.054 0.000 1.150 137 P CA 0.974 64.061 63.100 -0.022 0.000 0.814 137 P CB -0.122 31.577 31.700 -0.002 0.000 0.787 141 R N 0.935 121.342 120.500 -0.155 0.000 2.115 141 R HA 0.132 4.473 4.340 0.002 0.000 0.230 141 R C 2.292 178.333 176.300 -0.432 0.000 1.111 141 R CA 0.870 56.815 56.100 -0.260 0.000 0.976 141 R CB 0.045 30.168 30.300 -0.295 0.000 0.870 141 R HN 0.226 nan 8.270 nan 0.000 0.445 142 I N 0.759 121.076 120.570 -0.423 0.000 2.202 142 I HA -0.293 3.878 4.170 0.002 0.000 0.242 142 I C 2.236 178.284 176.117 -0.114 0.000 1.091 142 I CA 1.248 62.366 61.300 -0.303 0.000 1.368 142 I CB -0.180 37.727 38.000 -0.155 0.000 1.058 142 I HN 0.140 nan 8.210 nan 0.000 0.410 143 L N -0.074 121.095 121.223 -0.089 0.000 2.042 143 L HA -0.268 4.073 4.340 0.002 0.000 0.210 143 L C 2.748 179.603 176.870 -0.024 0.000 1.076 143 L CA 1.374 56.187 54.840 -0.046 0.000 0.749 143 L CB -0.590 41.446 42.059 -0.039 0.000 0.893 143 L HN 0.346 nan 8.230 nan 0.000 0.432 144 Q N -0.678 119.102 119.800 -0.033 0.000 2.096 144 Q HA -0.199 4.142 4.340 0.002 0.000 0.204 144 Q C 2.173 178.189 176.000 0.027 0.000 0.982 144 Q CA 2.204 58.005 55.803 -0.004 0.000 0.850 144 Q CB -0.280 28.451 28.738 -0.010 0.000 0.901 144 Q HN 0.513 nan 8.270 nan 0.000 0.422 145 T N 1.232 115.812 114.554 0.043 0.000 2.857 145 T HA -0.034 4.317 4.350 0.002 0.000 0.266 145 T C 1.994 176.747 174.700 0.088 0.000 1.048 145 T CA 0.539 62.706 62.100 0.111 0.000 1.139 145 T CB -0.134 68.878 68.868 0.240 0.000 0.874 145 T HN 0.169 nan 8.240 nan 0.000 0.455 146 I N 0.678 121.284 120.570 0.060 0.000 2.151 146 I HA -0.207 3.964 4.170 0.002 0.000 0.243 146 I C 1.725 177.874 176.117 0.053 0.000 1.080 146 I CA 1.364 62.694 61.300 0.051 0.000 1.339 146 I CB -0.258 37.757 38.000 0.024 0.000 1.039 146 I HN 0.314 nan 8.210 nan 0.000 0.409 150 N N 0.335 119.140 118.700 0.174 0.000 2.707 150 N HA -0.181 4.560 4.740 0.002 0.000 0.253 150 N C -1.137 174.547 175.510 0.291 0.000 0.998 150 N CA 0.782 53.929 53.050 0.162 0.000 0.751 150 N CB -1.169 37.338 38.487 0.034 0.000 0.920 150 N HN 0.150 nan 8.380 nan 0.000 0.539 151 V N 1.050 121.080 119.914 0.193 0.000 2.475 151 V HA -0.090 4.031 4.120 0.002 0.000 0.292 151 V C 1.482 177.663 176.094 0.146 0.000 1.003 151 V CA 0.959 63.343 62.300 0.140 0.000 1.120 151 V CB 0.558 32.422 31.823 0.068 0.000 0.937 151 V HN 0.451 nan 8.190 nan 0.000 0.476 152 E N 2.325 122.637 120.200 0.187 0.000 2.434 152 E HA 0.137 4.488 4.350 0.002 0.000 0.207 152 E C 0.407 177.095 176.600 0.147 0.000 0.929 152 E CA -0.016 56.490 56.400 0.177 0.000 1.001 152 E CB 0.710 30.573 29.700 0.272 0.000 1.016 152 E HN 0.753 nan 8.360 nan 0.000 0.502 153 H N 0.084 119.178 119.070 0.039 0.000 2.759 153 H HA 0.649 5.207 4.556 0.002 0.000 0.354 153 H C -1.762 173.570 175.328 0.005 0.000 1.074 153 H CA -0.476 55.589 56.048 0.027 0.000 1.226 153 H CB 1.775 31.554 29.762 0.028 0.000 1.648 153 H HN 0.061 nan 8.280 nan 0.000 0.529 154 A N 3.378 125.819 122.820 -0.632 0.000 2.454 154 A HA 0.593 4.914 4.320 0.002 0.000 0.302 154 A C -0.823 176.520 177.584 -0.402 0.000 1.079 154 A CA -0.682 51.165 52.037 -0.317 0.000 0.731 154 A CB 1.735 20.640 19.000 -0.159 0.000 1.299 154 A HN 0.606 nan 8.150 nan 0.000 0.413 155 T N 1.135 115.629 114.554 -0.100 0.000 2.797 155 T HA 0.549 4.900 4.350 0.002 0.000 0.279 155 T C -0.725 173.962 174.700 -0.022 0.000 0.991 155 T CA -0.272 61.820 62.100 -0.013 0.000 0.979 155 T CB 1.195 70.103 68.868 0.066 0.000 0.943 155 T HN 0.500 nan 8.240 nan 0.000 0.444 156 V N 4.112 124.016 119.914 -0.016 0.000 2.384 156 V HA 0.421 4.542 4.120 0.002 0.000 0.287 156 V C -0.161 175.925 176.094 -0.014 0.000 1.020 156 V CA -0.767 61.521 62.300 -0.019 0.000 0.850 156 V CB 1.723 33.532 31.823 -0.023 0.000 0.987 156 V HN 0.712 nan 8.190 nan 0.000 0.436 157 V N 3.909 123.810 119.914 -0.022 0.000 2.350 157 V HA 0.926 5.047 4.120 0.002 0.000 0.276 157 V C 0.548 176.621 176.094 -0.034 0.000 1.028 157 V CA 0.189 62.476 62.300 -0.022 0.000 0.860 157 V CB 0.752 32.562 31.823 -0.022 0.000 0.990 157 V HN 1.270 nan 8.190 nan 0.000 0.453 158 G N 3.380 112.161 108.800 -0.031 0.000 3.014 158 G HA2 0.272 4.233 3.960 0.002 0.000 0.683 158 G HA3 0.272 4.233 3.960 0.002 0.000 0.683 158 G C 0.124 175.002 174.900 -0.037 0.000 1.271 158 G CA -0.408 44.668 45.100 -0.040 0.000 0.843 158 G HN 1.154 nan 8.290 nan 0.000 0.612 159 G N 0.404 109.192 108.800 -0.020 0.000 3.502 159 G HA2 0.628 4.589 3.960 0.002 0.000 0.267 159 G HA3 0.628 4.589 3.960 0.002 0.000 0.267 159 G C 1.066 175.971 174.900 0.009 0.000 1.090 159 G CA 1.045 46.148 45.100 0.005 0.000 0.795 159 G HN 1.409 nan 8.290 nan 0.000 0.535 160 G N 0.309 109.090 108.800 -0.032 0.000 2.712 160 G HA2 0.259 4.220 3.960 0.002 0.000 0.258 160 G HA3 0.259 4.220 3.960 0.002 0.000 0.258 160 G C 0.924 175.778 174.900 -0.076 0.000 1.241 160 G CA -0.033 45.038 45.100 -0.048 0.000 0.923 160 G HN 0.360 nan 8.290 nan 0.000 0.548 161 F N -1.267 118.682 119.950 -0.002 0.000 2.216 161 F HA 0.015 4.543 4.527 0.001 0.000 0.300 161 F C 2.073 177.856 175.800 -0.029 0.000 1.085 161 F CA 1.045 59.039 58.000 -0.011 0.000 1.326 161 F CB -0.382 38.617 39.000 -0.001 0.000 1.027 161 F HN 0.182 nan 8.300 nan 0.000 0.497 162 I N 0.945 121.117 120.570 -0.664 0.000 2.584 162 I HA 0.003 4.174 4.170 0.002 0.000 0.255 162 I C 2.778 178.771 176.117 -0.206 0.000 1.145 162 I CA 1.007 62.082 61.300 -0.376 0.000 1.462 162 I CB -1.032 36.715 38.000 -0.422 0.000 1.102 162 I HN 0.358 nan 8.210 nan 0.000 0.433 163 G N 1.271 109.955 108.800 -0.193 0.000 2.402 163 G HA2 -0.145 3.816 3.960 0.002 0.000 0.216 163 G HA3 -0.145 3.816 3.960 0.002 0.000 0.216 163 G C 1.699 176.551 174.900 -0.080 0.000 1.162 163 G CA 0.350 45.383 45.100 -0.113 0.000 0.777 163 G HN 0.226 nan 8.290 nan 0.000 0.539 164 L N 0.252 121.436 121.223 -0.064 0.000 2.083 164 L HA 0.030 4.371 4.340 0.002 0.000 0.209 164 L C 1.751 178.557 176.870 -0.108 0.000 1.083 164 L CA 0.638 55.445 54.840 -0.054 0.000 0.752 164 L CB -0.440 41.616 42.059 -0.006 0.000 0.899 164 L HN 0.292 nan 8.230 nan 0.000 0.433 169 S N 0.601 116.296 115.700 -0.008 0.000 2.377 169 S HA 0.014 4.485 4.470 0.002 0.000 0.223 169 S C 1.953 176.618 174.600 0.109 0.000 1.030 169 S CA 0.959 59.180 58.200 0.035 0.000 0.970 169 S CB -0.170 62.984 63.200 -0.077 0.000 0.830 169 S HN 0.323 nan 8.310 nan 0.000 0.473 170 L N 1.349 122.618 121.223 0.077 0.000 2.017 170 L HA -0.130 4.211 4.340 0.002 0.000 0.208 170 L C 2.878 179.824 176.870 0.127 0.000 1.073 170 L CA 1.947 56.832 54.840 0.076 0.000 0.745 170 L CB -1.026 41.053 42.059 0.033 0.000 0.894 170 L HN 0.512 nan 8.230 nan 0.000 0.432 171 H N -0.417 118.729 119.070 0.127 0.000 2.319 171 H HA -0.288 4.269 4.556 0.002 0.000 0.297 171 H C 2.269 177.708 175.328 0.184 0.000 1.097 171 H CA 2.252 58.413 56.048 0.189 0.000 1.285 171 H CB -0.233 29.755 29.762 0.377 0.000 1.368 171 H HN 0.434 nan 8.280 nan 0.000 0.495 172 H N 0.892 120.094 119.070 0.220 0.000 2.422 172 H HA -0.082 4.475 4.556 0.001 0.000 0.298 172 H C 2.120 177.460 175.328 0.019 0.000 1.098 172 H CA 1.316 57.445 56.048 0.134 0.000 1.315 172 H CB -0.001 29.863 29.762 0.169 0.000 1.382 172 H HN 0.358 nan 8.280 nan 0.000 0.523 173 L N -0.331 120.904 121.223 0.020 0.000 2.610 173 L HA 0.075 4.416 4.340 0.002 0.000 0.232 173 L C 1.694 178.517 176.870 -0.078 0.000 1.149 173 L CA 0.611 55.430 54.840 -0.035 0.000 0.872 173 L CB 0.091 42.158 42.059 0.014 0.000 0.992 173 L HN 0.455 nan 8.230 nan 0.000 0.447 174 G N 0.563 109.283 108.800 -0.133 0.000 2.141 174 G HA2 -0.269 3.692 3.960 0.002 0.000 0.242 174 G HA3 -0.269 3.692 3.960 0.002 0.000 0.242 174 G C 0.221 175.084 174.900 -0.062 0.000 0.982 174 G CA -0.279 44.746 45.100 -0.125 0.000 0.662 174 G HN 0.305 nan 8.290 nan 0.000 0.527 175 I N 1.577 122.122 120.570 -0.041 0.000 2.371 175 I HA 0.238 4.409 4.170 0.002 0.000 0.290 175 I C 0.480 176.595 176.117 -0.003 0.000 1.028 175 I CA -0.839 60.458 61.300 -0.006 0.000 1.345 175 I CB 0.940 38.937 38.000 -0.005 0.000 1.407 175 I HN -0.115 nan 8.210 nan 0.000 0.501 176 K N 5.198 125.613 120.400 0.025 0.000 2.416 176 K HA 0.212 4.533 4.320 0.002 0.000 0.283 176 K C 0.110 176.646 176.600 -0.107 0.000 1.037 176 K CA -0.115 56.213 56.287 0.068 0.000 0.995 176 K CB 0.355 32.987 32.500 0.221 0.000 0.938 176 K HN 0.734 nan 8.250 nan 0.000 0.475 177 T N -1.046 113.499 114.554 -0.016 0.000 2.887 177 T HA 0.493 4.844 4.350 0.002 0.000 0.288 177 T C -0.251 174.469 174.700 0.034 0.000 1.021 177 T CA -0.792 61.232 62.100 -0.127 0.000 1.000 177 T CB 1.640 70.512 68.868 0.007 0.000 1.034 177 T HN 0.286 nan 8.240 nan 0.000 0.467 178 T N 2.902 117.471 114.554 0.025 0.000 2.812 178 T HA 0.557 4.908 4.350 0.002 0.000 0.282 178 T C -0.954 173.784 174.700 0.063 0.000 0.990 178 T CA -0.613 61.565 62.100 0.131 0.000 0.960 178 T CB 1.148 70.162 68.868 0.242 0.000 0.948 178 T HN 0.681 nan 8.240 nan 0.000 0.438 179 L N 4.877 126.135 121.223 0.060 0.000 2.287 179 L HA 0.620 4.961 4.340 0.002 0.000 0.287 179 L C -1.537 175.347 176.870 0.023 0.000 1.022 179 L CA -0.677 54.185 54.840 0.036 0.000 0.814 179 L CB 0.523 42.609 42.059 0.045 0.000 1.217 179 L HN 0.393 nan 8.230 nan 0.000 0.420 180 L N 4.870 126.100 121.223 0.012 0.000 2.295 180 L HA 0.662 5.003 4.340 0.002 0.000 0.285 180 L C -0.288 176.576 176.870 -0.009 0.000 1.035 180 L CA -0.235 54.605 54.840 0.001 0.000 0.806 180 L CB 1.210 43.270 42.059 0.002 0.000 1.214 180 L HN 0.599 nan 8.230 nan 0.000 0.426 181 E N 1.950 122.139 120.200 -0.018 0.000 2.292 181 E HA 0.318 4.669 4.350 0.002 0.000 0.272 181 E C -0.186 176.402 176.600 -0.021 0.000 0.881 181 E CA -0.442 55.947 56.400 -0.019 0.000 0.754 181 E CB 1.604 31.293 29.700 -0.019 0.000 1.201 181 E HN 0.481 nan 8.360 nan 0.000 0.425 182 L N 1.915 123.128 121.223 -0.016 0.000 2.131 182 L HA 0.321 4.662 4.340 0.002 0.000 0.206 182 L C 0.902 177.764 176.870 -0.013 0.000 1.087 182 L CA 1.057 55.889 54.840 -0.014 0.000 0.767 182 L CB -0.168 41.884 42.059 -0.011 0.000 0.917 182 L HN 0.685 nan 8.230 nan 0.000 0.441 183 A N 0.297 123.112 122.820 -0.008 0.000 2.310 183 A HA 0.012 4.333 4.320 0.002 0.000 0.260 183 A C 0.537 178.113 177.584 -0.013 0.000 1.112 183 A CA 0.231 52.266 52.037 -0.003 0.000 0.804 183 A CB 0.069 19.075 19.000 0.011 0.000 1.081 183 A HN 0.477 nan 8.150 nan 0.000 0.499 184 D N -1.270 119.127 120.400 -0.005 0.000 2.324 184 D HA 0.085 4.726 4.640 0.002 0.000 0.235 184 D C 0.240 176.532 176.300 -0.014 0.000 1.095 184 D CA 0.452 54.441 54.000 -0.019 0.000 0.871 184 D CB -0.357 40.442 40.800 -0.002 0.000 0.906 184 D HN 0.622 nan 8.370 nan 0.000 0.522 185 Q N -1.102 118.711 119.800 0.022 0.000 2.472 185 Q HA 0.427 4.768 4.340 0.002 0.000 0.281 185 Q C -0.391 175.703 176.000 0.155 0.000 0.997 185 Q CA -1.235 54.657 55.803 0.148 0.000 0.828 185 Q CB 1.604 30.474 28.738 0.220 0.000 1.443 185 Q HN -0.040 nan 8.270 nan 0.000 0.390 189 P HA 0.089 nan 4.420 nan 0.000 0.218 189 P C 0.895 178.200 177.300 0.008 0.000 1.146 189 P CA 1.316 64.431 63.100 0.026 0.000 0.813 189 P CB -0.230 31.490 31.700 0.033 0.000 0.778 190 V N -3.356 116.569 119.914 0.018 0.000 2.716 190 V HA 0.396 4.517 4.120 0.002 0.000 0.304 190 V C 0.096 176.202 176.094 0.021 0.000 1.053 190 V CA -1.022 61.285 62.300 0.012 0.000 0.984 190 V CB 1.045 32.878 31.823 0.017 0.000 1.021 190 V HN -0.227 nan 8.190 nan 0.000 0.467 191 D N 1.803 122.218 120.400 0.025 0.000 2.360 191 D HA 0.183 4.824 4.640 0.002 0.000 0.242 191 D C 1.047 177.378 176.300 0.051 0.000 1.184 191 D CA -0.135 53.892 54.000 0.045 0.000 0.930 191 D CB 1.044 41.883 40.800 0.064 0.000 1.161 191 D HN 0.700 nan 8.370 nan 0.000 0.447 192 R N 0.332 120.870 120.500 0.062 0.000 2.096 192 R HA -0.113 4.228 4.340 0.002 0.000 0.235 192 R C 1.018 177.310 176.300 -0.014 0.000 1.127 192 R CA 1.004 57.140 56.100 0.059 0.000 0.968 192 R CB 0.116 30.463 30.300 0.077 0.000 0.861 192 R HN 0.570 nan 8.270 nan 0.000 0.440 196 G N -0.109 108.444 108.800 -0.412 0.000 2.450 196 G HA2 -0.102 3.859 3.960 0.002 0.000 0.220 196 G HA3 -0.102 3.859 3.960 0.002 0.000 0.220 196 G C 1.234 176.021 174.900 -0.189 0.000 1.130 196 G CA 1.641 46.567 45.100 -0.290 0.000 0.760 196 G HN 0.452 nan 8.290 nan 0.000 0.557 197 F N 1.406 121.260 119.950 -0.160 0.000 2.259 197 F HA 0.130 4.658 4.527 0.002 0.000 0.298 197 F C 2.971 178.700 175.800 -0.119 0.000 1.088 197 F CA 0.722 58.576 58.000 -0.242 0.000 1.358 197 F CB -0.123 38.638 39.000 -0.397 0.000 1.040 197 F HN 0.225 nan 8.300 nan 0.000 0.505 198 A N -0.152 122.669 122.820 0.002 0.000 1.898 198 A HA -0.189 4.132 4.320 0.002 0.000 0.216 198 A C 1.787 179.416 177.584 0.075 0.000 1.181 198 A CA 1.710 53.756 52.037 0.015 0.000 0.620 198 A CB -1.312 17.672 19.000 -0.026 0.000 0.819 198 A HN 0.508 nan 8.150 nan 0.000 0.442 199 H N -1.318 117.814 119.070 0.105 0.000 2.319 199 H HA -0.211 4.346 4.556 0.002 0.000 0.297 199 H C 2.345 177.727 175.328 0.089 0.000 1.097 199 H CA 1.630 57.727 56.048 0.082 0.000 1.285 199 H CB -0.018 29.771 29.762 0.045 0.000 1.368 199 H HN 0.582 nan 8.280 nan 0.000 0.495 200 Q N 0.964 120.890 119.800 0.209 0.000 2.050 200 Q HA -0.126 4.215 4.340 0.002 0.000 0.202 200 Q C 2.509 178.592 176.000 0.139 0.000 0.980 200 Q CA 1.556 57.469 55.803 0.182 0.000 0.840 200 Q CB -0.296 28.619 28.738 0.294 0.000 0.898 200 Q HN 0.472 nan 8.270 nan 0.000 0.424 201 A N 0.051 122.959 122.820 0.147 0.000 1.908 201 A HA -0.177 4.144 4.320 0.002 0.000 0.218 201 A C 2.107 179.740 177.584 0.081 0.000 1.181 201 A CA 1.602 53.709 52.037 0.116 0.000 0.627 201 A CB -0.747 18.349 19.000 0.161 0.000 0.818 201 A HN 0.496 nan 8.150 nan 0.000 0.445 202 I N -1.148 119.523 120.570 0.169 0.000 2.202 202 I HA -0.229 3.942 4.170 0.002 0.000 0.242 202 I C 2.784 178.917 176.117 0.027 0.000 1.091 202 I CA 1.196 62.608 61.300 0.186 0.000 1.368 202 I CB -0.279 37.875 38.000 0.257 0.000 1.058 202 I HN 0.271 nan 8.210 nan 0.000 0.410 203 R N 0.608 121.141 120.500 0.055 0.000 2.091 203 R HA -0.190 4.151 4.340 0.002 0.000 0.238 203 R C 1.833 178.120 176.300 -0.022 0.000 1.136 203 R CA 1.692 57.806 56.100 0.023 0.000 0.959 203 R CB -0.492 29.834 30.300 0.044 0.000 0.856 203 R HN 0.319 nan 8.270 nan 0.000 0.437 204 D N 0.522 120.903 120.400 -0.032 0.000 2.239 204 D HA -0.163 4.478 4.640 0.002 0.000 0.202 204 D C 1.633 177.845 176.300 -0.147 0.000 0.993 204 D CA 1.144 55.107 54.000 -0.063 0.000 0.874 204 D CB -0.051 40.723 40.800 -0.044 0.000 0.922 204 D HN 0.205 nan 8.370 nan 0.000 0.464 205 Q N -0.957 118.667 119.800 -0.292 0.000 2.360 205 Q HA 0.199 4.540 4.340 0.002 0.000 0.202 205 Q C 1.283 177.192 176.000 -0.152 0.000 0.915 205 Q CA 0.622 56.168 55.803 -0.428 0.000 0.943 205 Q CB 0.897 28.863 28.738 -1.287 0.000 1.064 205 Q HN 0.341 nan 8.270 nan 0.000 0.511 206 G N 0.526 109.285 108.800 -0.069 0.000 2.132 206 G HA2 -0.237 3.724 3.960 0.002 0.000 0.234 206 G HA3 -0.237 3.724 3.960 0.002 0.000 0.234 206 G C 0.182 175.121 174.900 0.066 0.000 0.989 206 G CA 0.189 45.302 45.100 0.021 0.000 0.676 206 G HN 0.214 nan 8.290 nan 0.000 0.522 207 V N 0.915 120.859 119.914 0.050 0.000 2.686 207 V HA 0.405 4.526 4.120 0.002 0.000 0.295 207 V C 0.622 176.771 176.094 0.092 0.000 1.055 207 V CA 0.134 62.501 62.300 0.112 0.000 1.050 207 V CB 1.722 33.636 31.823 0.151 0.000 0.984 207 V HN 0.391 nan 8.190 nan 0.000 0.482 208 D N 4.549 125.013 120.400 0.107 0.000 2.393 208 D HA 0.209 4.850 4.640 0.002 0.000 0.232 208 D C -0.570 175.773 176.300 0.071 0.000 1.192 208 D CA 0.014 54.066 54.000 0.088 0.000 0.882 208 D CB 0.391 41.261 40.800 0.116 0.000 1.038 208 D HN 0.409 nan 8.370 nan 0.000 0.499 209 L N 4.616 125.866 121.223 0.046 0.000 2.272 209 L HA 0.482 4.823 4.340 0.002 0.000 0.289 209 L C -0.200 176.666 176.870 -0.007 0.000 1.032 209 L CA -0.759 54.096 54.840 0.025 0.000 0.810 209 L CB 0.680 42.751 42.059 0.020 0.000 1.205 209 L HN 0.294 nan 8.230 nan 0.000 0.422 210 R N 5.836 126.327 120.500 -0.014 0.000 2.352 210 R HA 0.460 4.801 4.340 0.002 0.000 0.304 210 R C -0.949 175.322 176.300 -0.048 0.000 1.104 210 R CA -0.550 55.533 56.100 -0.027 0.000 0.991 210 R CB 1.242 31.537 30.300 -0.009 0.000 1.140 210 R HN 0.563 nan 8.270 nan 0.000 0.540 211 L N 0.699 121.872 121.223 -0.083 0.000 2.439 211 L HA 0.387 4.728 4.340 0.002 0.000 0.261 211 L C 1.414 178.248 176.870 -0.060 0.000 1.153 211 L CA 0.095 54.878 54.840 -0.095 0.000 0.808 211 L CB 0.879 42.839 42.059 -0.164 0.000 1.126 211 L HN 0.898 nan 8.230 nan 0.000 0.460 212 G N 0.447 109.219 108.800 -0.047 0.000 2.155 212 G HA2 -0.262 3.699 3.960 0.002 0.000 0.257 212 G HA3 -0.262 3.699 3.960 0.002 0.000 0.257 212 G C 0.218 175.104 174.900 -0.024 0.000 0.983 212 G CA 0.427 45.508 45.100 -0.031 0.000 0.676 212 G HN 0.901 nan 8.290 nan 0.000 0.528 213 T N -2.039 112.501 114.554 -0.023 0.000 2.928 213 T HA 0.856 5.207 4.350 0.002 0.000 0.296 213 T C -0.071 174.621 174.700 -0.014 0.000 1.000 213 T CA 0.701 62.791 62.100 -0.017 0.000 0.989 213 T CB 1.879 70.737 68.868 -0.016 0.000 1.005 213 T HN 1.741 nan 8.240 nan 0.000 0.442 214 A N 3.639 126.452 122.820 -0.012 0.000 2.282 214 A HA 0.806 5.127 4.320 0.002 0.000 0.319 214 A C -0.309 177.270 177.584 -0.010 0.000 1.121 214 A CA -0.928 51.102 52.037 -0.011 0.000 0.836 214 A CB 0.910 19.903 19.000 -0.011 0.000 1.146 214 A HN 1.063 nan 8.150 nan 0.000 0.494 215 L N 1.480 122.697 121.223 -0.010 0.000 2.290 215 L HA 0.478 4.819 4.340 0.002 0.000 0.284 215 L C 0.852 177.716 176.870 -0.010 0.000 1.078 215 L CA 0.622 55.456 54.840 -0.010 0.000 0.815 215 L CB 1.402 43.454 42.059 -0.012 0.000 1.162 215 L HN 0.600 nan 8.230 nan 0.000 0.435 216 S N 2.770 118.465 115.700 -0.009 0.000 2.499 216 S HA 0.328 4.799 4.470 0.002 0.000 0.225 216 S C -0.059 174.536 174.600 -0.007 0.000 1.050 216 S CA 0.087 58.282 58.200 -0.008 0.000 0.928 216 S CB 0.180 63.376 63.200 -0.007 0.000 0.803 216 S HN 0.762 nan 8.310 nan 0.000 0.506 217 E N 0.097 120.293 120.200 -0.007 0.000 2.375 217 E HA 0.443 4.794 4.350 0.002 0.000 0.280 217 E C -1.874 174.722 176.600 -0.007 0.000 0.972 217 E CA -0.407 55.990 56.400 -0.006 0.000 0.782 217 E CB 2.563 32.262 29.700 -0.003 0.000 1.229 217 E HN -0.076 nan 8.360 nan 0.000 0.439 218 V N 1.550 121.461 119.914 -0.005 0.000 2.540 218 V HA 0.446 4.567 4.120 0.002 0.000 0.302 218 V C -0.507 175.595 176.094 0.014 0.000 1.035 218 V CA -0.578 61.720 62.300 -0.004 0.000 0.873 218 V CB 1.830 33.645 31.823 -0.013 0.000 0.992 218 V HN 0.562 nan 8.190 nan 0.000 0.428 219 S N 4.163 119.872 115.700 0.016 0.000 2.530 219 S HA 0.547 5.018 4.470 0.002 0.000 0.322 219 S C -1.192 173.447 174.600 0.064 0.000 1.085 219 S CA -0.460 57.761 58.200 0.035 0.000 1.096 219 S CB 0.460 63.670 63.200 0.017 0.000 0.988 219 S HN 0.642 nan 8.310 nan 0.000 0.466 220 Y N 5.634 125.915 120.300 -0.031 0.000 2.313 220 Y HA 0.479 5.030 4.550 0.002 0.000 0.332 220 Y C -0.247 175.655 175.900 0.003 0.000 1.071 220 Y CA -0.608 57.473 58.100 -0.031 0.000 1.169 220 Y CB 0.901 39.341 38.460 -0.033 0.000 1.192 220 Y HN 0.654 nan 8.280 nan 0.000 0.487 221 Q N 6.400 125.852 119.800 -0.581 0.000 2.309 221 Q HA 0.451 4.792 4.340 0.002 0.000 0.270 221 Q C -1.268 174.351 176.000 -0.635 0.000 1.023 221 Q CA -1.000 54.525 55.803 -0.464 0.000 0.758 221 Q CB 2.050 30.708 28.738 -0.133 0.000 1.247 221 Q HN 0.602 nan 8.270 nan 0.000 0.455 222 V N 2.292 121.855 119.914 -0.585 0.000 2.811 222 V HA 0.004 4.125 4.120 0.002 0.000 0.302 222 V C -0.178 175.837 176.094 -0.131 0.000 1.063 222 V CA 0.168 62.248 62.300 -0.366 0.000 1.088 222 V CB 1.576 33.305 31.823 -0.157 0.000 0.982 222 V HN 0.877 nan 8.190 nan 0.000 0.485 223 Q N 3.191 122.970 119.800 -0.035 0.000 2.294 223 Q HA 0.325 4.666 4.340 0.002 0.000 0.257 223 Q C 0.595 176.608 176.000 0.023 0.000 0.955 223 Q CA 0.610 56.420 55.803 0.013 0.000 0.936 223 Q CB 1.465 30.233 28.738 0.050 0.000 1.188 223 Q HN 0.929 nan 8.270 nan 0.000 0.420 224 T N 0.386 114.962 114.554 0.037 0.000 3.037 224 T HA 0.100 4.451 4.350 0.002 0.000 0.251 224 T C 0.070 174.824 174.700 0.089 0.000 1.079 224 T CA 0.375 62.504 62.100 0.049 0.000 1.067 224 T CB -0.163 68.731 68.868 0.044 0.000 0.948 224 T HN 0.649 nan 8.240 nan 0.000 0.496 225 H N 1.167 120.235 119.070 -0.003 0.000 2.587 225 H HA 0.600 5.157 4.556 0.002 0.000 0.325 225 H C -1.337 173.990 175.328 -0.001 0.000 1.012 225 H CA -0.838 55.208 56.048 -0.004 0.000 1.213 225 H CB 1.023 30.780 29.762 -0.008 0.000 1.431 225 H HN -0.050 nan 8.280 nan 0.000 0.492 226 V N 5.281 124.961 119.914 -0.391 0.000 2.348 226 V HA 0.471 4.592 4.120 0.002 0.000 0.270 226 V C 0.631 176.407 176.094 -0.531 0.000 1.037 226 V CA -0.265 61.835 62.300 -0.334 0.000 0.872 226 V CB 0.457 32.184 31.823 -0.160 0.000 1.002 226 V HN 1.037 nan 8.190 nan 0.000 0.464 227 A N 4.774 127.334 122.820 -0.433 0.000 2.407 227 A HA 0.679 5.000 4.320 0.002 0.000 0.248 227 A C 0.476 177.973 177.584 -0.145 0.000 1.082 227 A CA 0.196 52.073 52.037 -0.267 0.000 0.785 227 A CB 0.530 19.473 19.000 -0.096 0.000 1.020 227 A HN 1.121 nan 8.150 nan 0.000 0.489 228 S N 0.460 116.112 115.700 -0.081 0.000 2.569 228 S HA 0.445 4.916 4.470 0.002 0.000 0.280 228 S C -0.085 174.502 174.600 -0.023 0.000 1.111 228 S CA -0.401 57.768 58.200 -0.052 0.000 0.887 228 S CB 1.591 64.763 63.200 -0.048 0.000 1.095 228 S HN 0.534 nan 8.310 nan 0.000 0.476 229 D N 1.827 122.214 120.400 -0.021 0.000 2.178 229 D HA 0.081 4.722 4.640 0.002 0.000 0.201 229 D C 2.129 178.426 176.300 -0.006 0.000 0.980 229 D CA 1.773 55.766 54.000 -0.012 0.000 0.842 229 D CB -0.186 40.605 40.800 -0.014 0.000 0.948 229 D HN 0.718 nan 8.370 nan 0.000 0.472 230 A N 0.425 123.241 122.820 -0.007 0.000 1.972 230 A HA 0.030 4.351 4.320 0.002 0.000 0.219 230 A C 2.074 179.661 177.584 0.004 0.000 1.169 230 A CA 1.625 53.661 52.037 -0.002 0.000 0.635 230 A CB -0.461 18.537 19.000 -0.004 0.000 0.810 230 A HN 0.225 nan 8.150 nan 0.000 0.446 231 A N -1.419 121.407 122.820 0.009 0.000 2.302 231 A HA 0.438 4.759 4.320 0.002 0.000 0.219 231 A C 1.546 179.143 177.584 0.022 0.000 1.243 231 A CA 0.934 52.983 52.037 0.021 0.000 0.856 231 A CB -1.129 17.894 19.000 0.038 0.000 0.893 231 A HN 1.863 nan 8.150 nan 0.000 0.491 232 G N 0.018 108.827 108.800 0.014 0.000 2.246 232 G HA2 -0.231 3.730 3.960 0.002 0.000 0.273 232 G HA3 -0.231 3.730 3.960 0.002 0.000 0.273 232 G C -0.264 174.646 174.900 0.018 0.000 1.055 232 G CA 0.473 45.581 45.100 0.013 0.000 0.851 232 G HN 0.691 nan 8.290 nan 0.000 0.500 233 E N -0.363 119.849 120.200 0.021 0.000 2.222 233 E HA 0.442 4.793 4.350 0.002 0.000 0.267 233 E C -0.623 175.988 176.600 0.017 0.000 0.963 233 E CA -1.043 55.374 56.400 0.030 0.000 0.837 233 E CB 1.134 30.865 29.700 0.052 0.000 1.183 233 E HN 0.112 nan 8.360 nan 0.000 0.403 234 D N 1.105 121.520 120.400 0.026 0.000 2.346 234 D HA -0.009 4.632 4.640 0.002 0.000 0.260 234 D C 0.655 176.956 176.300 0.002 0.000 1.252 234 D CA 0.048 54.061 54.000 0.023 0.000 0.895 234 D CB 0.747 41.581 40.800 0.057 0.000 1.097 234 D HN 0.463 nan 8.370 nan 0.000 0.489 235 T N 0.900 115.434 114.554 -0.033 0.000 3.129 235 T HA 0.193 4.544 4.350 0.002 0.000 0.251 235 T C 1.761 176.388 174.700 -0.121 0.000 1.117 235 T CA 0.288 62.348 62.100 -0.067 0.000 1.034 235 T CB 0.182 69.009 68.868 -0.068 0.000 0.968 235 T HN 0.282 nan 8.240 nan 0.000 0.526 236 A N 2.111 124.836 122.820 -0.159 0.000 1.933 236 A HA -0.107 4.214 4.320 0.002 0.000 0.218 236 A C 1.735 178.976 177.584 -0.571 0.000 1.175 236 A CA 0.961 52.782 52.037 -0.361 0.000 0.628 236 A CB -0.620 18.125 19.000 -0.425 0.000 0.814 236 A HN 0.761 nan 8.150 nan 0.000 0.444 237 H N -1.054 117.959 119.070 -0.095 0.000 2.467 237 H HA 0.287 4.844 4.556 0.002 0.000 0.275 237 H C -0.083 175.041 175.328 -0.339 0.000 1.131 237 H CA -0.272 55.692 56.048 -0.139 0.000 0.989 237 H CB 0.009 29.758 29.762 -0.022 0.000 1.696 237 H HN 0.543 nan 8.280 nan 0.000 0.574 238 Q N 0.867 120.458 119.800 -0.349 0.000 2.212 238 Q HA 0.213 4.554 4.340 0.002 0.000 0.238 238 Q C -0.471 175.097 176.000 -0.720 0.000 0.955 238 Q CA -0.540 55.030 55.803 -0.388 0.000 0.906 238 Q CB 1.385 30.012 28.738 -0.185 0.000 1.215 238 Q HN 0.483 nan 8.270 nan 0.000 0.478 239 H N 2.746 121.848 119.070 0.052 0.000 2.808 239 H HA 0.149 4.705 4.556 0.002 0.000 0.268 239 H C 0.687 176.052 175.328 0.061 0.000 1.306 239 H CA -0.017 56.073 56.048 0.070 0.000 1.565 239 H CB 0.283 30.111 29.762 0.110 0.000 1.632 239 H HN 0.677 nan 8.280 nan 0.000 0.525 240 I N -1.174 119.454 120.570 0.096 0.000 2.756 240 I HA -0.073 4.098 4.170 0.002 0.000 0.262 240 I C 1.649 177.830 176.117 0.106 0.000 1.225 240 I CA 1.173 62.515 61.300 0.070 0.000 1.472 240 I CB 0.128 38.143 38.000 0.025 0.000 1.094 240 I HN -0.056 nan 8.210 nan 0.000 0.454 241 K N 1.675 122.163 120.400 0.147 0.000 2.444 241 K HA 0.342 4.663 4.320 0.002 0.000 0.193 241 K C 0.683 177.432 176.600 0.248 0.000 1.024 241 K CA 0.679 57.071 56.287 0.174 0.000 1.077 241 K CB -0.004 32.590 32.500 0.156 0.000 0.833 241 K HN 0.681 nan 8.250 nan 0.000 0.517 242 G N -0.367 108.555 108.800 0.202 0.000 2.512 242 G HA2 -0.201 3.760 3.960 0.002 0.000 0.210 242 G HA3 -0.201 3.760 3.960 0.002 0.000 0.210 242 G C -1.537 173.488 174.900 0.208 0.000 1.295 242 G CA -0.316 44.874 45.100 0.150 0.000 0.934 242 G HN 0.360 nan 8.290 nan 0.000 0.554 243 H N -0.702 118.371 119.070 0.004 0.000 2.954 243 H HA 0.577 5.134 4.556 0.002 0.000 0.361 243 H C -1.112 174.230 175.328 0.025 0.000 1.122 243 H CA -0.677 55.371 56.048 0.000 0.000 1.217 243 H CB 1.427 31.176 29.762 -0.022 0.000 1.776 243 H HN 0.536 nan 8.280 nan 0.000 0.533 244 L N 3.358 124.197 121.223 -0.640 0.000 2.296 244 L HA 0.276 4.617 4.340 0.002 0.000 0.286 244 L C 0.254 176.849 176.870 -0.458 0.000 1.023 244 L CA -0.545 54.069 54.840 -0.376 0.000 0.812 244 L CB 1.774 43.732 42.059 -0.168 0.000 1.223 244 L HN 0.376 nan 8.230 nan 0.000 0.421 245 S N 4.730 120.315 115.700 -0.191 0.000 2.474 245 S HA 0.643 5.114 4.470 0.002 0.000 0.321 245 S C -0.559 174.014 174.600 -0.044 0.000 1.080 245 S CA -0.606 57.543 58.200 -0.084 0.000 1.106 245 S CB 0.379 63.588 63.200 0.015 0.000 0.984 245 S HN 0.415 nan 8.310 nan 0.000 0.464 246 L N 4.268 125.468 121.223 -0.037 0.000 2.295 246 L HA 0.496 4.837 4.340 0.002 0.000 0.285 246 L C 0.155 177.019 176.870 -0.011 0.000 1.035 246 L CA -0.747 54.080 54.840 -0.022 0.000 0.806 246 L CB 1.817 43.864 42.059 -0.019 0.000 1.214 246 L HN 0.463 nan 8.230 nan 0.000 0.426 247 T N 4.227 118.776 114.554 -0.008 0.000 2.767 247 T HA 0.521 4.872 4.350 0.002 0.000 0.284 247 T C 0.212 174.908 174.700 -0.006 0.000 0.973 247 T CA -0.405 61.691 62.100 -0.005 0.000 0.996 247 T CB 0.949 69.815 68.868 -0.004 0.000 0.927 247 T HN 0.283 nan 8.240 nan 0.000 0.456 248 L N 2.004 123.224 121.223 -0.006 0.000 2.431 248 L HA 0.337 4.678 4.340 0.002 0.000 0.260 248 L C 1.980 178.846 176.870 -0.007 0.000 1.098 248 L CA -0.702 54.134 54.840 -0.006 0.000 0.800 248 L CB 0.922 42.978 42.059 -0.005 0.000 1.210 248 L HN 0.757 nan 8.230 nan 0.000 0.465 249 S N -0.406 115.289 115.700 -0.007 0.000 2.447 249 S HA -0.132 4.339 4.470 0.002 0.000 0.233 249 S C 0.979 175.575 174.600 -0.007 0.000 1.006 249 S CA 0.999 59.194 58.200 -0.008 0.000 0.957 249 S CB -0.568 62.626 63.200 -0.009 0.000 0.773 249 S HN 0.838 nan 8.310 nan 0.000 0.507 250 N N 0.736 119.431 118.700 -0.008 0.000 2.276 250 N HA 0.370 5.111 4.740 0.002 0.000 0.212 250 N C 1.116 176.622 175.510 -0.007 0.000 1.127 250 N CA 0.353 53.399 53.050 -0.008 0.000 0.834 250 N CB -0.019 38.462 38.487 -0.009 0.000 1.014 250 N HN 0.490 nan 8.380 nan 0.000 0.491 251 G N -0.211 108.585 108.800 -0.006 0.000 2.284 251 G HA2 -0.303 3.658 3.960 0.002 0.000 0.230 251 G HA3 -0.303 3.658 3.960 0.002 0.000 0.230 251 G C -0.287 174.609 174.900 -0.005 0.000 1.021 251 G CA 0.019 45.116 45.100 -0.005 0.000 0.619 251 G HN 0.498 nan 8.290 nan 0.000 0.510 252 E N 0.591 120.787 120.200 -0.006 0.000 2.415 252 E HA 0.428 4.778 4.350 0.002 0.000 0.262 252 E C -0.016 176.581 176.600 -0.006 0.000 1.038 252 E CA -0.125 56.271 56.400 -0.007 0.000 0.921 252 E CB 0.771 30.466 29.700 -0.008 0.000 0.950 252 E HN 0.333 nan 8.360 nan 0.000 0.438 253 L N 3.114 124.334 121.223 -0.006 0.000 2.292 253 L HA 0.337 4.678 4.340 0.002 0.000 0.284 253 L C -0.265 176.599 176.870 -0.010 0.000 1.065 253 L CA 0.008 54.846 54.840 -0.004 0.000 0.806 253 L CB 0.469 42.529 42.059 0.002 0.000 1.175 253 L HN 0.368 nan 8.230 nan 0.000 0.431 254 L N 2.784 124.000 121.223 -0.012 0.000 2.376 254 L HA 0.513 4.854 4.340 0.002 0.000 0.275 254 L C -0.912 175.942 176.870 -0.026 0.000 0.987 254 L CA -0.634 54.191 54.840 -0.026 0.000 0.828 254 L CB 2.051 44.103 42.059 -0.011 0.000 1.249 254 L HN 0.575 nan 8.230 nan 0.000 0.409 255 E N 2.022 122.207 120.200 -0.025 0.000 2.175 255 E HA 0.607 4.958 4.350 0.002 0.000 0.278 255 E C -0.774 175.819 176.600 -0.011 0.000 0.969 255 E CA 0.077 56.495 56.400 0.030 0.000 0.796 255 E CB 2.026 31.857 29.700 0.220 0.000 1.104 255 E HN 0.479 nan 8.360 nan 0.000 0.395 256 T N 1.287 115.785 114.554 -0.093 0.000 2.821 256 T HA 0.259 4.610 4.350 0.002 0.000 0.306 256 T C -0.844 173.806 174.700 -0.083 0.000 1.313 256 T CA -0.634 61.502 62.100 0.058 0.000 1.012 256 T CB 0.822 69.798 68.868 0.179 0.000 1.298 256 T HN 0.300 nan 8.240 nan 0.000 0.502 257 D N 0.986 121.365 120.400 -0.035 0.000 2.369 257 D HA 0.306 4.947 4.640 0.002 0.000 0.211 257 D C -0.093 176.184 176.300 -0.040 0.000 1.077 257 D CA 0.209 54.146 54.000 -0.106 0.000 0.842 257 D CB 0.835 41.491 40.800 -0.240 0.000 0.947 257 D HN 0.243 nan 8.370 nan 0.000 0.509 258 L N 0.632 121.837 121.223 -0.029 0.000 2.643 258 L HA 0.394 4.735 4.340 0.002 0.000 0.257 258 L C -2.436 174.416 176.870 -0.031 0.000 0.922 258 L CA -0.879 53.949 54.840 -0.021 0.000 0.909 258 L CB 2.065 44.130 42.059 0.011 0.000 1.424 258 L HN -0.221 nan 8.230 nan 0.000 0.422 259 L N 5.346 126.538 121.223 -0.052 0.000 2.385 259 L HA 0.780 5.121 4.340 0.002 0.000 0.273 259 L C -1.221 175.628 176.870 -0.035 0.000 0.990 259 L CA -0.213 54.598 54.840 -0.047 0.000 0.821 259 L CB 1.496 43.516 42.059 -0.066 0.000 1.279 259 L HN 0.541 nan 8.230 nan 0.000 0.412 263 I N -1.815 118.715 120.570 -0.068 0.000 3.864 263 I HA 0.618 4.789 4.170 0.002 0.000 0.326 263 I C 0.719 176.800 176.117 -0.061 0.000 1.444 263 I CA 0.370 61.635 61.300 -0.059 0.000 1.195 263 I CB 0.092 38.069 38.000 -0.039 0.000 1.124 263 I HN 1.163 nan 8.210 nan 0.000 0.407 264 G N 0.934 109.682 108.800 -0.086 0.000 2.525 264 G HA2 0.133 4.094 3.960 0.002 0.000 0.685 264 G HA3 0.133 4.094 3.960 0.002 0.000 0.685 264 G C -0.815 174.057 174.900 -0.047 0.000 1.290 264 G CA -0.505 44.553 45.100 -0.071 0.000 0.915 264 G HN 0.901 nan 8.290 nan 0.000 0.548 265 V N -2.774 117.126 119.914 -0.024 0.000 3.001 265 V HA 0.986 5.107 4.120 0.002 0.000 0.314 265 V C -0.024 176.071 176.094 0.002 0.000 1.099 265 V CA -0.681 61.615 62.300 -0.007 0.000 0.989 265 V CB 2.022 33.848 31.823 0.006 0.000 1.040 265 V HN 1.427 nan 8.190 nan 0.000 0.434 266 R N 2.263 122.765 120.500 0.003 0.000 2.561 266 R HA 0.617 4.958 4.340 0.002 0.000 0.297 266 R C -2.983 173.321 176.300 0.006 0.000 0.969 266 R CA -1.980 54.122 56.100 0.003 0.000 0.879 266 R CB 2.487 32.786 30.300 -0.001 0.000 1.178 266 R HN 0.602 nan 8.270 nan 0.000 0.445 267 P HA -0.095 nan 4.420 nan 0.000 0.264 267 P C -0.982 176.318 177.300 -0.000 0.000 1.183 267 P CA 0.406 63.508 63.100 0.003 0.000 0.763 267 P CB 0.507 32.206 31.700 -0.001 0.000 0.807 268 E N 2.020 122.220 120.200 0.001 0.000 2.029 268 E HA 0.055 4.406 4.350 0.002 0.000 0.276 268 E C 0.694 177.288 176.600 -0.010 0.000 1.163 268 E CA 0.488 56.886 56.400 -0.003 0.000 0.909 268 E CB 0.134 29.834 29.700 0.000 0.000 1.046 268 E HN 0.467 nan 8.360 nan 0.000 0.406 269 T N -0.679 113.867 114.554 -0.013 0.000 3.043 269 T HA 0.000 4.351 4.350 0.002 0.000 0.272 269 T C 1.383 176.071 174.700 -0.020 0.000 0.990 269 T CA -0.291 61.799 62.100 -0.017 0.000 0.897 269 T CB 0.408 69.268 68.868 -0.015 0.000 1.111 269 T HN 0.095 nan 8.240 nan 0.000 0.529 270 Q N 0.936 120.724 119.800 -0.020 0.000 2.061 270 Q HA 0.036 4.377 4.340 0.002 0.000 0.204 270 Q C 1.910 177.892 176.000 -0.029 0.000 0.984 270 Q CA 1.387 57.176 55.803 -0.023 0.000 0.846 270 Q CB -0.695 28.029 28.738 -0.023 0.000 0.902 270 Q HN 0.423 nan 8.270 nan 0.000 0.421 271 L N -0.239 120.963 121.223 -0.035 0.000 2.083 271 L HA -0.095 4.246 4.340 0.002 0.000 0.209 271 L C 2.059 178.907 176.870 -0.038 0.000 1.083 271 L CA 2.078 56.893 54.840 -0.043 0.000 0.752 271 L CB -1.064 40.963 42.059 -0.053 0.000 0.899 271 L HN 0.323 nan 8.230 nan 0.000 0.433 272 A N -1.009 121.790 122.820 -0.034 0.000 1.898 272 A HA -0.130 4.191 4.320 0.002 0.000 0.214 272 A C 2.374 179.942 177.584 -0.027 0.000 1.183 272 A CA 1.034 53.051 52.037 -0.033 0.000 0.622 272 A CB -0.334 18.647 19.000 -0.032 0.000 0.824 272 A HN 0.382 nan 8.150 nan 0.000 0.444 273 R N 0.027 120.513 120.500 -0.024 0.000 2.073 273 R HA -0.116 4.225 4.340 0.002 0.000 0.234 273 R C 1.449 177.737 176.300 -0.020 0.000 1.134 273 R CA 1.513 57.601 56.100 -0.020 0.000 0.952 273 R CB -0.450 29.839 30.300 -0.018 0.000 0.850 273 R HN 0.409 nan 8.270 nan 0.000 0.433 274 D N 0.693 121.079 120.400 -0.022 0.000 2.178 274 D HA -0.084 4.557 4.640 0.002 0.000 0.202 274 D C 1.558 177.847 176.300 -0.019 0.000 0.974 274 D CA 1.307 55.294 54.000 -0.021 0.000 0.841 274 D CB -0.106 40.678 40.800 -0.026 0.000 0.953 274 D HN 0.265 nan 8.370 nan 0.000 0.478 275 A N -0.125 122.684 122.820 -0.019 0.000 2.235 275 A HA 0.336 4.657 4.320 0.002 0.000 0.208 275 A C 1.766 179.344 177.584 -0.010 0.000 1.172 275 A CA 1.088 53.118 52.037 -0.012 0.000 0.786 275 A CB -0.384 18.609 19.000 -0.012 0.000 0.804 275 A HN 0.244 nan 8.150 nan 0.000 0.479 276 G N -0.977 107.815 108.800 -0.013 0.000 2.160 276 G HA2 -0.232 3.729 3.960 0.002 0.000 0.251 276 G HA3 -0.232 3.729 3.960 0.002 0.000 0.251 276 G C 0.094 174.984 174.900 -0.016 0.000 1.008 276 G CA 0.395 45.486 45.100 -0.013 0.000 0.724 276 G HN 0.463 nan 8.290 nan 0.000 0.514 277 L N 0.277 121.488 121.223 -0.020 0.000 2.439 277 L HA 0.555 4.896 4.340 0.002 0.000 0.269 277 L C 1.349 178.204 176.870 -0.025 0.000 1.179 277 L CA -0.205 54.619 54.840 -0.026 0.000 0.828 277 L CB 0.809 42.848 42.059 -0.033 0.000 1.106 277 L HN 0.351 nan 8.230 nan 0.000 0.467 278 A N 4.157 126.961 122.820 -0.027 0.000 2.477 278 A HA 0.456 4.777 4.320 0.002 0.000 0.246 278 A C -0.300 177.271 177.584 -0.022 0.000 1.078 278 A CA -0.004 52.020 52.037 -0.023 0.000 0.770 278 A CB -0.111 18.875 19.000 -0.023 0.000 1.011 278 A HN 0.606 nan 8.150 nan 0.000 0.494 279 I N 2.197 122.757 120.570 -0.018 0.000 2.406 279 I HA 0.421 4.592 4.170 0.002 0.000 0.290 279 I C 1.080 177.190 176.117 -0.012 0.000 0.999 279 I CA -0.366 60.925 61.300 -0.015 0.000 1.124 279 I CB 1.958 39.949 38.000 -0.015 0.000 1.289 279 I HN 0.787 nan 8.210 nan 0.000 0.441 280 G N 3.899 112.693 108.800 -0.010 0.000 2.588 280 G HA2 0.162 4.123 3.960 0.002 0.000 0.278 280 G HA3 0.162 4.123 3.960 0.002 0.000 0.278 280 G C 0.624 175.521 174.900 -0.006 0.000 1.307 280 G CA -0.293 44.803 45.100 -0.007 0.000 1.016 280 G HN 0.710 nan 8.290 nan 0.000 0.503 281 E N -0.387 119.810 120.200 -0.004 0.000 2.418 281 E HA -0.036 4.315 4.350 0.002 0.000 0.197 281 E C 1.999 178.597 176.600 -0.003 0.000 1.026 281 E CA 0.286 56.684 56.400 -0.004 0.000 0.862 281 E CB 0.038 29.736 29.700 -0.004 0.000 0.799 281 E HN 0.393 nan 8.360 nan 0.000 0.518 282 L N -0.040 121.183 121.223 -0.001 0.000 2.592 282 L HA 0.214 4.555 4.340 0.002 0.000 0.227 282 L C 1.275 178.145 176.870 -0.001 0.000 1.127 282 L CA 0.376 55.216 54.840 0.000 0.000 0.884 282 L CB -0.154 41.908 42.059 0.004 0.000 1.065 282 L HN 0.202 nan 8.230 nan 0.000 0.457 283 G N 0.273 109.071 108.800 -0.003 0.000 2.141 283 G HA2 -0.202 3.759 3.960 0.002 0.000 0.242 283 G HA3 -0.202 3.759 3.960 0.002 0.000 0.242 283 G C 0.400 175.297 174.900 -0.005 0.000 0.982 283 G CA -0.119 44.978 45.100 -0.005 0.000 0.662 283 G HN 0.528 nan 8.290 nan 0.000 0.527 284 G N -0.838 107.959 108.800 -0.005 0.000 2.461 284 G HA2 0.675 4.636 3.960 0.002 0.000 0.329 284 G HA3 0.675 4.636 3.960 0.002 0.000 0.329 284 G C 0.295 175.188 174.900 -0.012 0.000 1.170 284 G CA -1.059 44.037 45.100 -0.007 0.000 0.935 284 G HN 0.600 nan 8.290 nan 0.000 0.492 285 I N 0.396 120.956 120.570 -0.016 0.000 2.710 285 I HA 0.041 4.212 4.170 0.002 0.000 0.286 285 I C 0.821 176.925 176.117 -0.022 0.000 1.181 285 I CA 0.343 61.630 61.300 -0.022 0.000 1.430 285 I CB 0.790 38.774 38.000 -0.027 0.000 1.367 285 I HN 0.267 nan 8.210 nan 0.000 0.577 286 K N 6.825 127.211 120.400 -0.024 0.000 2.248 286 K HA 0.499 4.820 4.320 0.002 0.000 0.281 286 K C -0.878 175.702 176.600 -0.032 0.000 1.054 286 K CA -0.512 55.762 56.287 -0.022 0.000 0.903 286 K CB 0.894 33.383 32.500 -0.018 0.000 1.077 286 K HN 0.514 nan 8.250 nan 0.000 0.474 287 V N 1.012 120.909 119.914 -0.027 0.000 3.001 287 V HA 0.504 4.625 4.120 0.002 0.000 0.314 287 V C -0.432 175.653 176.094 -0.016 0.000 1.099 287 V CA -1.285 60.992 62.300 -0.037 0.000 0.989 287 V CB 1.569 33.370 31.823 -0.036 0.000 1.040 287 V HN 0.931 nan 8.190 nan 0.000 0.434 288 N N 2.046 120.734 118.700 -0.020 0.000 2.418 288 N HA 0.677 5.418 4.740 0.002 0.000 0.283 288 N C 0.151 175.686 175.510 0.043 0.000 1.267 288 N CA 0.045 53.099 53.050 0.007 0.000 0.975 288 N CB 0.554 39.037 38.487 -0.007 0.000 1.167 288 N HN 1.189 nan 8.380 nan 0.000 0.581 293 T N -0.026 114.378 114.554 -0.249 0.000 2.715 293 T HA 0.172 4.523 4.350 0.002 0.000 0.320 293 T C 1.456 176.084 174.700 -0.120 0.000 1.046 293 T CA 0.350 62.366 62.100 -0.139 0.000 0.983 293 T CB 0.261 69.064 68.868 -0.108 0.000 1.183 293 T HN 0.941 nan 8.240 nan 0.000 0.522 294 S N -1.002 114.651 115.700 -0.078 0.000 2.500 294 S HA -0.053 4.418 4.470 0.002 0.000 0.239 294 S C 0.468 175.034 174.600 -0.057 0.000 0.989 294 S CA 0.575 58.739 58.200 -0.060 0.000 0.951 294 S CB -0.597 62.579 63.200 -0.040 0.000 0.759 294 S HN 0.827 nan 8.310 nan 0.000 0.523 295 D N 1.972 122.332 120.400 -0.068 0.000 2.303 295 D HA 0.338 4.979 4.640 0.002 0.000 0.236 295 D C -1.909 174.335 176.300 -0.094 0.000 1.068 295 D CA -2.552 51.416 54.000 -0.053 0.000 0.830 295 D CB 2.028 42.818 40.800 -0.016 0.000 1.109 295 D HN -0.056 nan 8.370 nan 0.000 0.496 296 P HA -0.053 nan 4.420 nan 0.000 0.220 296 P C 0.775 178.019 177.300 -0.094 0.000 1.148 296 P CA 0.702 63.736 63.100 -0.109 0.000 0.803 296 P CB 0.193 31.865 31.700 -0.046 0.000 0.782 297 A N -0.917 121.905 122.820 0.003 0.000 2.208 297 A HA 0.124 4.445 4.320 0.002 0.000 0.209 297 A C 1.165 178.802 177.584 0.088 0.000 1.161 297 A CA 0.271 52.374 52.037 0.111 0.000 0.782 297 A CB -0.664 18.465 19.000 0.214 0.000 0.816 297 A HN 0.146 nan 8.150 nan 0.000 0.477 298 I N 0.070 120.603 120.570 -0.061 0.000 2.382 298 I HA 0.384 4.555 4.170 0.002 0.000 0.286 298 I C -1.089 174.914 176.117 -0.191 0.000 1.002 298 I CA -0.666 60.582 61.300 -0.085 0.000 1.135 298 I CB 1.105 39.049 38.000 -0.093 0.000 1.288 298 I HN 0.113 nan 8.210 nan 0.000 0.448 299 Y N 4.215 124.471 120.300 -0.073 0.000 2.534 299 Y HA 0.785 5.336 4.550 0.002 0.000 0.329 299 Y C 0.330 176.190 175.900 -0.067 0.000 1.154 299 Y CA -0.728 57.337 58.100 -0.059 0.000 1.192 299 Y CB 2.007 40.436 38.460 -0.053 0.000 1.275 299 Y HN 0.593 nan 8.280 nan 0.000 0.491 300 A N 1.235 124.106 122.820 0.084 0.000 2.517 300 A HA 0.763 5.084 4.320 0.002 0.000 0.297 300 A C -1.487 176.101 177.584 0.006 0.000 1.050 300 A CA -0.533 51.515 52.037 0.019 0.000 0.694 300 A CB 0.892 19.881 19.000 -0.019 0.000 1.277 300 A HN 0.924 nan 8.150 nan 0.000 0.400 301 V N -0.457 119.447 119.914 -0.017 0.000 3.160 301 V HA 1.027 5.148 4.120 0.002 0.000 0.310 301 V C 0.474 176.534 176.094 -0.056 0.000 1.181 301 V CA 0.171 62.440 62.300 -0.052 0.000 1.047 301 V CB 0.959 32.749 31.823 -0.055 0.000 1.068 301 V HN 2.967 nan 8.190 nan 0.000 0.441 302 G N 1.593 110.345 108.800 -0.079 0.000 2.615 302 G HA2 -0.169 3.792 3.960 0.002 0.000 0.218 302 G HA3 -0.169 3.792 3.960 0.002 0.000 0.218 302 G C -0.042 174.837 174.900 -0.036 0.000 1.339 302 G CA 0.510 45.577 45.100 -0.055 0.000 0.884 302 G HN 1.071 nan 8.290 nan 0.000 0.559 303 D N 0.307 120.698 120.400 -0.014 0.000 2.221 303 D HA 0.074 4.715 4.640 0.002 0.000 0.204 303 D C 2.621 178.922 176.300 0.001 0.000 0.982 303 D CA 2.027 56.029 54.000 0.004 0.000 0.857 303 D CB -0.515 40.297 40.800 0.020 0.000 0.934 303 D HN 0.971 nan 8.370 nan 0.000 0.475 304 A N 0.248 123.064 122.820 -0.007 0.000 2.168 304 A HA 0.094 4.415 4.320 0.002 0.000 0.215 304 A C 1.110 178.687 177.584 -0.013 0.000 1.152 304 A CA 0.483 52.516 52.037 -0.008 0.000 0.716 304 A CB -0.240 18.754 19.000 -0.011 0.000 0.794 304 A HN 0.162 nan 8.150 nan 0.000 0.465 305 V N -3.000 116.903 119.914 -0.019 0.000 2.769 305 V HA 0.536 4.657 4.120 0.002 0.000 0.312 305 V C -0.503 175.583 176.094 -0.015 0.000 1.058 305 V CA -1.249 61.037 62.300 -0.023 0.000 0.952 305 V CB 1.482 33.282 31.823 -0.038 0.000 1.019 305 V HN 0.303 nan 8.190 nan 0.000 0.445 306 E N 1.887 122.082 120.200 -0.009 0.000 2.344 306 E HA 0.315 4.666 4.350 0.002 0.000 0.270 306 E C -0.418 176.188 176.600 0.010 0.000 1.021 306 E CA 0.132 56.534 56.400 0.004 0.000 0.887 306 E CB 0.975 30.678 29.700 0.006 0.000 0.997 306 E HN 0.804 nan 8.360 nan 0.000 0.429 307 E N 1.695 121.913 120.200 0.031 0.000 2.281 307 E HA 0.187 4.538 4.350 0.002 0.000 0.257 307 E C -0.963 175.691 176.600 0.091 0.000 0.971 307 E CA -0.850 55.593 56.400 0.071 0.000 0.839 307 E CB 1.137 30.902 29.700 0.107 0.000 1.238 307 E HN 0.175 nan 8.360 nan 0.000 0.412 308 Q N 1.527 121.409 119.800 0.136 0.000 2.296 308 Q HA 0.116 4.457 4.340 0.002 0.000 0.257 308 Q C -1.364 174.709 176.000 0.122 0.000 0.942 308 Q CA -0.377 55.491 55.803 0.109 0.000 0.939 308 Q CB 0.854 29.664 28.738 0.120 0.000 1.198 308 Q HN 0.294 nan 8.270 nan 0.000 0.429 309 D N 3.005 123.455 120.400 0.083 0.000 2.425 309 D HA -0.101 4.540 4.640 0.002 0.000 0.247 309 D C 0.280 176.638 176.300 0.096 0.000 1.147 309 D CA 0.085 54.143 54.000 0.095 0.000 0.879 309 D CB 0.440 41.274 40.800 0.057 0.000 1.179 309 D HN 0.626 nan 8.370 nan 0.000 0.456 310 F N 3.802 123.762 119.950 0.016 0.000 2.134 310 F HA -0.203 4.325 4.527 0.002 0.000 0.299 310 F C 1.792 177.605 175.800 0.020 0.000 1.097 310 F CA 1.351 59.351 58.000 0.001 0.000 1.264 310 F CB 0.048 39.040 39.000 -0.013 0.000 1.001 310 F HN 0.317 nan 8.300 nan 0.000 0.479 311 V N -0.289 119.728 119.914 0.172 0.000 2.323 311 V HA -0.224 3.897 4.120 0.002 0.000 0.244 311 V C 2.332 178.433 176.094 0.012 0.000 1.041 311 V CA 2.250 64.630 62.300 0.133 0.000 1.025 311 V CB -1.022 30.933 31.823 0.220 0.000 0.656 311 V HN 0.606 nan 8.190 nan 0.000 0.451 312 T N -3.300 111.249 114.554 -0.008 0.000 3.014 312 T HA 0.285 4.636 4.350 0.002 0.000 0.250 312 T C 1.595 176.270 174.700 -0.043 0.000 1.060 312 T CA 0.776 62.858 62.100 -0.030 0.000 1.040 312 T CB 0.609 69.457 68.868 -0.034 0.000 0.971 312 T HN 0.907 nan 8.240 nan 0.000 0.497 313 G N 2.069 110.837 108.800 -0.053 0.000 2.233 313 G HA2 -0.240 3.721 3.960 0.002 0.000 0.270 313 G HA3 -0.240 3.721 3.960 0.002 0.000 0.270 313 G C -0.018 174.872 174.900 -0.016 0.000 1.011 313 G CA 0.458 45.532 45.100 -0.044 0.000 0.762 313 G HN 0.676 nan 8.290 nan 0.000 0.511 314 Q N -0.552 119.243 119.800 -0.007 0.000 2.166 314 Q HA 0.720 5.061 4.340 0.002 0.000 0.226 314 Q C 0.611 176.619 176.000 0.013 0.000 0.989 314 Q CA -0.167 55.636 55.803 -0.001 0.000 0.966 314 Q CB 0.908 29.642 28.738 -0.006 0.000 1.173 314 Q HN 0.765 nan 8.270 nan 0.000 0.509 315 A N 0.490 123.318 122.820 0.012 0.000 2.462 315 A HA 0.420 4.741 4.320 0.002 0.000 0.243 315 A C 0.294 177.891 177.584 0.022 0.000 1.076 315 A CA -0.223 51.826 52.037 0.020 0.000 0.773 315 A CB -0.339 18.669 19.000 0.013 0.000 1.010 315 A HN 0.799 nan 8.150 nan 0.000 0.493 316 C N 0.525 119.845 119.300 0.033 0.000 3.291 316 C HA 0.798 5.259 4.460 0.002 0.000 0.316 316 C C -0.759 174.251 174.990 0.034 0.000 1.391 316 C CA -1.071 57.966 59.018 0.032 0.000 1.394 316 C CB 0.323 28.088 27.740 0.042 0.000 1.744 316 C HN 0.768 nan 8.230 nan 0.000 0.461 317 L N 1.863 123.105 121.223 0.032 0.000 2.319 317 L HA 0.678 5.019 4.340 0.002 0.000 0.281 317 L C -0.859 176.037 176.870 0.044 0.000 1.005 317 L CA -0.397 54.463 54.840 0.032 0.000 0.828 317 L CB 1.768 43.843 42.059 0.026 0.000 1.227 317 L HN 0.674 nan 8.230 nan 0.000 0.415 318 V N 4.705 124.648 119.914 0.048 0.000 2.340 318 V HA 0.247 4.368 4.120 0.002 0.000 0.277 318 V C -1.946 174.181 176.094 0.056 0.000 1.017 318 V CA -1.061 61.273 62.300 0.057 0.000 0.820 318 V CB 1.513 33.371 31.823 0.058 0.000 1.028 318 V HN 0.614 nan 8.190 nan 0.000 0.436 319 P HA 0.285 nan 4.420 nan 0.000 0.235 319 P C -0.651 176.702 177.300 0.088 0.000 1.765 319 P CA 0.220 63.372 63.100 0.087 0.000 1.034 319 P CB 0.309 32.077 31.700 0.113 0.000 1.984 320 L N 0.715 121.955 121.223 0.028 0.000 2.370 320 L HA 0.571 4.912 4.340 0.002 0.000 0.266 320 L C 1.439 178.294 176.870 -0.025 0.000 1.002 320 L CA -0.913 53.913 54.840 -0.024 0.000 0.818 320 L CB 2.031 44.059 42.059 -0.051 0.000 1.325 320 L HN -0.048 nan 8.230 nan 0.000 0.418 321 A N 1.792 124.586 122.820 -0.045 0.000 1.898 321 A HA 0.032 4.353 4.320 0.002 0.000 0.214 321 A C 1.940 179.504 177.584 -0.034 0.000 1.183 321 A CA 1.453 53.465 52.037 -0.041 0.000 0.622 321 A CB -0.781 18.189 19.000 -0.051 0.000 0.824 321 A HN 0.954 nan 8.150 nan 0.000 0.444 322 G N 0.547 109.328 108.800 -0.031 0.000 2.459 322 G HA2 -0.176 3.785 3.960 0.002 0.000 0.217 322 G HA3 -0.176 3.785 3.960 0.002 0.000 0.217 322 G C -0.226 174.683 174.900 0.015 0.000 1.183 322 G CA 1.378 46.471 45.100 -0.011 0.000 0.776 322 G HN 0.484 nan 8.290 nan 0.000 0.552 323 P HA -0.041 nan 4.420 nan 0.000 0.215 323 P C 2.304 179.589 177.300 -0.025 0.000 1.157 323 P CA 2.016 65.148 63.100 0.054 0.000 0.868 323 P CB -0.250 31.491 31.700 0.069 0.000 0.788 324 A N -0.251 122.545 122.820 -0.040 0.000 1.940 324 A HA -0.305 4.016 4.320 0.002 0.000 0.221 324 A C 2.258 179.813 177.584 -0.049 0.000 1.190 324 A CA 2.215 54.219 52.037 -0.055 0.000 0.647 324 A CB -1.546 17.427 19.000 -0.045 0.000 0.821 324 A HN 0.199 nan 8.150 nan 0.000 0.457 325 N N -1.035 117.646 118.700 -0.032 0.000 2.207 325 N HA -0.060 4.681 4.740 0.002 0.000 0.182 325 N C 1.939 177.441 175.510 -0.014 0.000 1.020 325 N CA 1.052 54.086 53.050 -0.027 0.000 0.858 325 N CB -0.193 38.281 38.487 -0.022 0.000 0.991 325 N HN 0.509 nan 8.380 nan 0.000 0.427 326 R N 0.997 121.503 120.500 0.010 0.000 2.148 326 R HA -0.043 4.298 4.340 0.002 0.000 0.227 326 R C 2.070 178.389 176.300 0.032 0.000 1.103 326 R CA 0.881 57.007 56.100 0.044 0.000 0.983 326 R CB -0.043 30.316 30.300 0.099 0.000 0.874 326 R HN 0.364 nan 8.270 nan 0.000 0.451 327 Q N -0.408 119.366 119.800 -0.043 0.000 2.049 327 Q HA -0.041 4.300 4.340 0.002 0.000 0.198 327 Q C 2.284 178.247 176.000 -0.061 0.000 0.971 327 Q CA 1.351 57.088 55.803 -0.111 0.000 0.833 327 Q CB -0.201 28.390 28.738 -0.245 0.000 0.896 327 Q HN 0.452 nan 8.270 nan 0.000 0.434 328 G N 1.498 110.265 108.800 -0.054 0.000 2.491 328 G HA2 -0.286 3.675 3.960 0.002 0.000 0.218 328 G HA3 -0.286 3.675 3.960 0.002 0.000 0.218 328 G C 0.827 175.702 174.900 -0.042 0.000 1.180 328 G CA 0.406 45.478 45.100 -0.047 0.000 0.774 328 G HN 0.192 nan 8.290 nan 0.000 0.562 332 A N 0.563 123.309 122.820 -0.124 0.000 1.969 332 A HA -0.011 4.310 4.320 0.002 0.000 0.218 332 A C 1.514 179.139 177.584 0.067 0.000 1.169 332 A CA 2.144 54.159 52.037 -0.037 0.000 0.635 332 A CB -0.530 18.488 19.000 0.029 0.000 0.810 332 A HN 0.429 nan 8.150 nan 0.000 0.445 333 D N 0.584 121.001 120.400 0.029 0.000 2.117 333 D HA -0.080 4.561 4.640 0.002 0.000 0.197 333 D C 0.690 177.032 176.300 0.070 0.000 0.987 333 D CA 0.650 54.696 54.000 0.076 0.000 0.829 333 D CB -0.406 40.418 40.800 0.041 0.000 0.961 333 D HN 0.361 nan 8.370 nan 0.000 0.460 337 G N 0.717 109.585 108.800 0.115 0.000 2.144 337 G HA2 -0.257 3.704 3.960 0.002 0.000 0.218 337 G HA3 -0.257 3.704 3.960 0.002 0.000 0.218 337 G C 0.994 175.949 174.900 0.091 0.000 0.988 337 G CA 0.064 45.220 45.100 0.093 0.000 0.659 337 G HN 0.336 nan 8.290 nan 0.000 0.522 338 R N 0.533 121.090 120.500 0.095 0.000 2.323 338 R HA 0.175 4.516 4.340 0.002 0.000 0.198 338 R C 0.800 177.142 176.300 0.069 0.000 0.988 338 R CA 0.519 56.664 56.100 0.075 0.000 1.041 338 R CB -0.140 30.201 30.300 0.069 0.000 0.926 338 R HN 0.637 nan 8.270 nan 0.000 0.476 339 E N 1.519 121.768 120.200 0.081 0.000 2.183 339 E HA -0.215 4.136 4.350 0.002 0.000 0.196 339 E C -1.031 175.615 176.600 0.076 0.000 1.364 339 E CA 0.656 57.105 56.400 0.082 0.000 0.700 339 E CB -0.930 28.810 29.700 0.067 0.000 1.106 339 E HN 0.461 nan 8.360 nan 0.000 0.347 340 E N 0.452 120.702 120.200 0.083 0.000 2.242 340 E HA 0.448 4.799 4.350 0.002 0.000 0.275 340 E C 0.027 176.689 176.600 0.104 0.000 1.002 340 E CA -0.576 55.873 56.400 0.081 0.000 0.841 340 E CB 1.257 31.003 29.700 0.076 0.000 1.109 340 E HN 0.107 nan 8.360 nan 0.000 0.394 341 R N 1.763 122.323 120.500 0.099 0.000 2.445 341 R HA 0.224 4.565 4.340 0.002 0.000 0.308 341 R C -1.076 175.316 176.300 0.153 0.000 0.961 341 R CA -0.759 55.413 56.100 0.121 0.000 0.862 341 R CB 1.078 31.428 30.300 0.083 0.000 1.144 341 R HN 0.512 nan 8.270 nan 0.000 0.447 342 Y N 1.440 121.771 120.300 0.052 0.000 2.326 342 Y HA -0.002 4.549 4.550 0.001 0.000 0.333 342 Y C 0.564 176.503 175.900 0.065 0.000 1.240 342 Y CA 0.253 58.386 58.100 0.055 0.000 1.365 342 Y CB 1.145 39.637 38.460 0.054 0.000 1.289 342 Y HN 0.511 nan 8.280 nan 0.000 0.548 343 Q N 3.275 122.751 119.800 -0.540 0.000 2.189 343 Q HA 0.370 4.711 4.340 0.002 0.000 0.221 343 Q C -0.163 175.713 176.000 -0.208 0.000 0.848 343 Q CA 0.401 56.047 55.803 -0.261 0.000 1.007 343 Q CB 0.502 29.162 28.738 -0.131 0.000 1.116 343 Q HN 1.028 nan 8.270 nan 0.000 0.481 344 G N -0.501 108.081 108.800 -0.363 0.000 2.699 344 G HA2 -0.169 3.792 3.960 0.002 0.000 0.686 344 G HA3 -0.169 3.792 3.960 0.002 0.000 0.686 344 G C -0.573 174.358 174.900 0.050 0.000 1.301 344 G CA -0.655 44.450 45.100 0.009 0.000 0.816 344 G HN 0.064 nan 8.290 nan 0.000 0.595 345 T N 1.087 115.777 114.554 0.226 0.000 2.779 345 T HA 0.559 4.910 4.350 0.002 0.000 0.280 345 T C 1.210 176.007 174.700 0.162 0.000 0.987 345 T CA -0.327 61.894 62.100 0.203 0.000 0.966 345 T CB 1.933 70.945 68.868 0.240 0.000 0.933 345 T HN 0.601 nan 8.240 nan 0.000 0.442 346 Q N 1.467 121.307 119.800 0.067 0.000 2.402 346 Q HA 0.241 4.582 4.340 0.002 0.000 0.206 346 Q C 1.599 177.615 176.000 0.026 0.000 0.919 346 Q CA 0.264 56.084 55.803 0.028 0.000 0.923 346 Q CB 0.366 29.034 28.738 -0.118 0.000 1.048 346 Q HN 1.100 nan 8.270 nan 0.000 0.515 347 G N 1.523 110.341 108.800 0.030 0.000 2.160 347 G HA2 -0.255 3.706 3.960 0.002 0.000 0.251 347 G HA3 -0.255 3.706 3.960 0.002 0.000 0.251 347 G C 0.026 174.919 174.900 -0.013 0.000 1.008 347 G CA 0.303 45.414 45.100 0.017 0.000 0.724 347 G HN 0.278 nan 8.290 nan 0.000 0.514 348 T N 0.807 115.344 114.554 -0.029 0.000 2.871 348 T HA 0.505 4.856 4.350 0.002 0.000 0.296 348 T C 0.591 175.256 174.700 -0.058 0.000 0.998 348 T CA 1.133 63.206 62.100 -0.045 0.000 1.162 348 T CB 1.283 70.117 68.868 -0.056 0.000 0.947 348 T HN 1.682 nan 8.240 nan 0.000 0.536 349 A N 3.541 126.326 122.820 -0.060 0.000 2.587 349 A HA 0.875 5.196 4.320 0.002 0.000 0.293 349 A C -1.253 176.287 177.584 -0.074 0.000 1.087 349 A CA -0.808 51.173 52.037 -0.093 0.000 0.692 349 A CB 1.571 20.510 19.000 -0.102 0.000 1.291 349 A HN 0.831 nan 8.150 nan 0.000 0.407 350 I N -0.159 120.355 120.570 -0.094 0.000 2.752 350 I HA 0.632 4.803 4.170 0.002 0.000 0.295 350 I C -1.472 174.615 176.117 -0.049 0.000 1.219 350 I CA -0.370 60.898 61.300 -0.053 0.000 1.030 350 I CB 1.918 39.892 38.000 -0.044 0.000 1.259 350 I HN 0.945 nan 8.210 nan 0.000 0.423 351 C N 6.676 125.976 119.300 -0.000 0.000 2.609 351 C HA 0.487 4.948 4.460 0.002 0.000 0.313 351 C C -0.740 174.273 174.990 0.039 0.000 1.175 351 C CA -0.755 58.288 59.018 0.043 0.000 1.434 351 C CB 1.573 29.369 27.740 0.094 0.000 2.005 351 C HN 0.878 nan 8.230 nan 0.000 0.471 352 K N 3.965 124.397 120.400 0.054 0.000 2.312 352 K HA 0.545 4.865 4.320 0.002 0.000 0.287 352 K C -1.031 175.567 176.600 -0.003 0.000 1.062 352 K CA -0.134 56.174 56.287 0.035 0.000 0.934 352 K CB 0.677 33.217 32.500 0.066 0.000 1.027 352 K HN 0.607 nan 8.250 nan 0.000 0.478 353 V N 7.843 127.755 119.914 -0.003 0.000 2.289 353 V HA 0.188 4.309 4.120 0.002 0.000 0.272 353 V C -0.054 176.061 176.094 0.036 0.000 1.026 353 V CA -0.557 61.722 62.300 -0.035 0.000 0.807 353 V CB -0.735 31.114 31.823 0.044 0.000 1.044 353 V HN 0.949 nan 8.190 nan 0.000 0.443 354 F N 1.451 121.422 119.950 0.034 0.000 2.958 354 F HA -0.365 4.163 4.527 0.001 0.000 0.240 354 F C 1.743 177.562 175.800 0.031 0.000 1.487 354 F CA 2.124 60.138 58.000 0.023 0.000 1.873 354 F CB -1.023 37.967 39.000 -0.016 0.000 0.531 354 F HN 0.450 nan 8.300 nan 0.000 0.277 355 D N 0.218 120.769 120.400 0.251 0.000 2.347 355 D HA 0.139 4.780 4.640 0.002 0.000 0.213 355 D C 0.622 176.972 176.300 0.083 0.000 0.985 355 D CA 0.546 54.626 54.000 0.134 0.000 0.879 355 D CB -0.080 40.782 40.800 0.104 0.000 0.919 355 D HN -0.046 nan 8.370 nan 0.000 0.526 356 L N 0.329 121.607 121.223 0.092 0.000 2.399 356 L HA 0.505 4.846 4.340 0.002 0.000 0.265 356 L C -0.048 176.839 176.870 0.028 0.000 1.089 356 L CA -0.748 54.118 54.840 0.043 0.000 0.802 356 L CB 1.392 43.484 42.059 0.056 0.000 1.180 356 L HN -0.169 nan 8.230 nan 0.000 0.454 357 A N 2.519 125.342 122.820 0.004 0.000 2.365 357 A HA 0.813 5.134 4.320 0.002 0.000 0.318 357 A C -1.462 176.119 177.584 -0.006 0.000 1.091 357 A CA -0.518 51.521 52.037 0.002 0.000 0.763 357 A CB 1.533 20.530 19.000 -0.005 0.000 1.248 357 A HN 0.382 nan 8.150 nan 0.000 0.442 358 V N 1.316 121.232 119.914 0.003 0.000 2.531 358 V HA 0.788 4.909 4.120 0.002 0.000 0.301 358 V C 0.517 176.611 176.094 -0.000 0.000 1.034 358 V CA 0.029 62.330 62.300 0.001 0.000 0.865 358 V CB 1.648 33.481 31.823 0.017 0.000 0.995 358 V HN 1.317 nan 8.190 nan 0.000 0.424 359 G N 2.420 111.216 108.800 -0.006 0.000 2.605 359 G HA2 0.955 4.916 3.960 0.002 0.000 0.296 359 G HA3 0.955 4.916 3.960 0.002 0.000 0.296 359 G C -1.132 173.756 174.900 -0.020 0.000 1.304 359 G CA -0.292 44.801 45.100 -0.012 0.000 0.941 359 G HN 1.284 nan 8.290 nan 0.000 0.475 360 A N -0.462 122.342 122.820 -0.026 0.000 2.605 360 A HA 0.861 5.182 4.320 0.002 0.000 0.294 360 A C -0.810 176.753 177.584 -0.035 0.000 1.062 360 A CA -0.277 51.737 52.037 -0.038 0.000 0.682 360 A CB 1.760 20.741 19.000 -0.032 0.000 1.278 360 A HN 1.337 nan 8.150 nan 0.000 0.410 361 T N -0.337 114.193 114.554 -0.040 0.000 2.900 361 T HA 0.779 5.130 4.350 0.002 0.000 0.303 361 T C 0.207 174.894 174.700 -0.022 0.000 1.142 361 T CA 1.309 63.389 62.100 -0.035 0.000 1.007 361 T CB 1.216 70.058 68.868 -0.044 0.000 1.156 361 T HN 2.841 nan 8.240 nan 0.000 0.490 362 G N 3.249 112.048 108.800 -0.002 0.000 2.587 362 G HA2 -0.065 3.896 3.960 0.002 0.000 0.212 362 G HA3 -0.065 3.896 3.960 0.002 0.000 0.212 362 G C -1.155 173.759 174.900 0.022 0.000 1.327 362 G CA -0.661 44.460 45.100 0.035 0.000 0.898 362 G HN 0.806 nan 8.290 nan 0.000 0.551 363 K N 1.199 121.615 120.400 0.027 0.000 2.144 363 K HA 0.367 4.688 4.320 0.002 0.000 0.270 363 K C 0.671 177.220 176.600 -0.085 0.000 1.005 363 K CA -0.165 56.099 56.287 -0.038 0.000 0.932 363 K CB 1.261 33.714 32.500 -0.079 0.000 1.021 363 K HN 0.819 nan 8.250 nan 0.000 0.462 364 N N -0.295 118.340 118.700 -0.109 0.000 2.448 364 N HA -0.015 4.726 4.740 0.002 0.000 0.274 364 N C 0.719 176.077 175.510 -0.253 0.000 1.239 364 N CA -0.418 52.547 53.050 -0.141 0.000 0.982 364 N CB 0.489 38.927 38.487 -0.083 0.000 1.199 364 N HN 0.670 nan 8.380 nan 0.000 0.576 365 E N -0.227 119.804 120.200 -0.282 0.000 2.158 365 E HA -0.114 4.237 4.350 0.002 0.000 0.191 365 E C 0.946 177.376 176.600 -0.283 0.000 0.982 365 E CA 0.713 56.828 56.400 -0.474 0.000 0.823 365 E CB -0.033 29.434 29.700 -0.388 0.000 0.766 365 E HN 0.561 nan 8.360 nan 0.000 0.468 366 K N 0.456 120.777 120.400 -0.132 0.000 2.044 366 K HA -0.228 4.093 4.320 0.002 0.000 0.210 366 K C 2.404 178.949 176.600 -0.091 0.000 1.049 366 K CA 2.072 58.316 56.287 -0.072 0.000 0.927 366 K CB -0.156 32.323 32.500 -0.035 0.000 0.713 366 K HN 0.219 nan 8.250 nan 0.000 0.443 367 Q N 0.545 120.273 119.800 -0.120 0.000 2.083 367 Q HA -0.054 4.287 4.340 0.002 0.000 0.198 367 Q C 2.220 178.126 176.000 -0.156 0.000 0.969 367 Q CA 1.010 56.745 55.803 -0.113 0.000 0.838 367 Q CB 0.008 28.683 28.738 -0.105 0.000 0.900 367 Q HN 0.267 nan 8.270 nan 0.000 0.436 368 L N 0.369 121.436 121.223 -0.260 0.000 2.046 368 L HA -0.227 4.114 4.340 0.002 0.000 0.208 368 L C 2.322 179.127 176.870 -0.108 0.000 1.077 368 L CA 1.295 55.954 54.840 -0.301 0.000 0.747 368 L CB -0.331 41.368 42.059 -0.599 0.000 0.896 368 L HN 0.109 nan 8.230 nan 0.000 0.432 369 K N -0.243 120.123 120.400 -0.057 0.000 2.026 369 K HA -0.251 4.070 4.320 0.002 0.000 0.208 369 K C 2.209 178.820 176.600 0.017 0.000 1.048 369 K CA 1.518 57.850 56.287 0.076 0.000 0.929 369 K CB -0.157 32.398 32.500 0.091 0.000 0.713 369 K HN 0.222 nan 8.250 nan 0.000 0.439 370 Q N 0.033 119.822 119.800 -0.018 0.000 2.152 370 Q HA -0.165 4.176 4.340 0.002 0.000 0.206 370 Q C 1.440 177.425 176.000 -0.025 0.000 0.985 370 Q CA 1.762 57.553 55.803 -0.020 0.000 0.863 370 Q CB -0.047 28.673 28.738 -0.030 0.000 0.904 370 Q HN 0.356 nan 8.270 nan 0.000 0.422 371 A N -0.669 122.124 122.820 -0.044 0.000 2.275 371 A HA 0.329 4.650 4.320 0.002 0.000 0.212 371 A C 1.234 178.796 177.584 -0.037 0.000 1.201 371 A CA 0.575 52.583 52.037 -0.048 0.000 0.843 371 A CB -0.336 18.617 19.000 -0.078 0.000 0.873 371 A HN 0.551 nan 8.150 nan 0.000 0.492 372 G N -0.065 108.725 108.800 -0.017 0.000 2.305 372 G HA2 -0.247 3.714 3.960 0.002 0.000 0.287 372 G HA3 -0.247 3.714 3.960 0.002 0.000 0.287 372 G C 0.009 174.907 174.900 -0.003 0.000 1.036 372 G CA 0.580 45.680 45.100 0.000 0.000 0.887 372 G HN 0.517 nan 8.290 nan 0.000 0.505 373 I N 0.839 121.400 120.570 -0.016 0.000 2.331 373 I HA 0.501 4.672 4.170 0.002 0.000 0.292 373 I C 1.015 177.175 176.117 0.072 0.000 0.998 373 I CA -0.551 60.721 61.300 -0.046 0.000 1.267 373 I CB 1.581 39.431 38.000 -0.250 0.000 1.386 373 I HN 0.305 nan 8.210 nan 0.000 0.476 374 A N 7.636 130.499 122.820 0.073 0.000 2.454 374 A HA 0.547 4.868 4.320 0.002 0.000 0.260 374 A C -0.563 177.146 177.584 0.209 0.000 1.106 374 A CA 0.142 52.207 52.037 0.046 0.000 0.780 374 A CB -0.193 18.818 19.000 0.017 0.000 1.044 374 A HN 0.638 nan 8.150 nan 0.000 0.498 375 F N 0.077 120.047 119.950 0.033 0.000 2.692 375 F HA 0.907 5.435 4.527 0.002 0.000 0.320 375 F C -0.684 175.003 175.800 -0.188 0.000 1.123 375 F CA -1.168 56.866 58.000 0.056 0.000 0.961 375 F CB 1.348 40.403 39.000 0.092 0.000 1.383 375 F HN 0.525 nan 8.300 nan 0.000 0.483 376 E N 0.660 120.690 120.200 -0.283 0.000 2.393 376 E HA 0.594 4.945 4.350 0.002 0.000 0.273 376 E C -1.959 174.390 176.600 -0.419 0.000 0.918 376 E CA -0.890 55.209 56.400 -0.501 0.000 0.773 376 E CB 2.269 31.502 29.700 -0.779 0.000 1.275 376 E HN 0.729 nan 8.360 nan 0.000 0.451 377 K N 0.619 120.954 120.400 -0.108 0.000 2.375 377 K HA 0.790 5.111 4.320 0.002 0.000 0.249 377 K C -1.194 175.507 176.600 0.168 0.000 0.942 377 K CA -1.070 55.221 56.287 0.006 0.000 0.806 377 K CB 2.223 34.628 32.500 -0.159 0.000 1.227 377 K HN 0.190 nan 8.250 nan 0.000 0.430 378 V N 2.005 121.999 119.914 0.134 0.000 2.864 378 V HA 0.455 4.576 4.120 0.002 0.000 0.314 378 V C -1.440 174.504 176.094 -0.250 0.000 1.073 378 V CA -0.760 61.582 62.300 0.071 0.000 0.956 378 V CB 1.415 33.354 31.823 0.194 0.000 1.023 378 V HN 0.669 nan 8.190 nan 0.000 0.435 379 Y N 1.806 122.217 120.300 0.186 0.000 2.468 379 Y HA 0.795 5.346 4.550 0.002 0.000 0.342 379 Y C -0.040 175.869 175.900 0.015 0.000 1.021 379 Y CA -0.900 57.236 58.100 0.061 0.000 1.079 379 Y CB 2.057 40.558 38.460 0.068 0.000 1.226 379 Y HN 0.323 nan 8.280 nan 0.000 0.460 380 V N 2.273 122.212 119.914 0.043 0.000 3.078 380 V HA 0.443 4.564 4.120 0.002 0.000 0.311 380 V C -1.186 174.738 176.094 -0.285 0.000 1.138 380 V CA -0.868 61.429 62.300 -0.005 0.000 1.007 380 V CB 2.440 34.309 31.823 0.077 0.000 1.045 380 V HN 0.752 nan 8.190 nan 0.000 0.432 381 H N 1.905 121.050 119.070 0.125 0.000 2.854 381 H HA 0.465 5.022 4.556 0.002 0.000 0.275 381 H C -0.859 174.485 175.328 0.025 0.000 1.198 381 H CA -0.266 55.818 56.048 0.061 0.000 1.489 381 H CB 1.666 31.475 29.762 0.079 0.000 1.519 381 H HN 0.547 nan 8.280 nan 0.000 0.503 382 T N 1.338 115.925 114.554 0.055 0.000 2.876 382 T HA 0.496 4.847 4.350 0.002 0.000 0.289 382 T C 0.443 175.124 174.700 -0.031 0.000 1.014 382 T CA -0.659 61.444 62.100 0.006 0.000 0.986 382 T CB 2.089 70.928 68.868 -0.048 0.000 1.021 382 T HN 0.631 nan 8.240 nan 0.000 0.458 383 A N 1.857 124.654 122.820 -0.038 0.000 2.565 383 A HA 0.290 4.611 4.320 0.002 0.000 0.237 383 A C 1.667 179.188 177.584 -0.105 0.000 1.053 383 A CA 0.223 52.212 52.037 -0.080 0.000 0.755 383 A CB -0.109 18.842 19.000 -0.082 0.000 0.980 383 A HN 1.059 nan 8.150 nan 0.000 0.506 384 S N 1.481 117.093 115.700 -0.146 0.000 2.419 384 S HA -0.056 4.415 4.470 0.002 0.000 0.233 384 S C 0.733 175.304 174.600 -0.050 0.000 1.016 384 S CA 1.306 59.435 58.200 -0.119 0.000 0.974 384 S CB -0.657 62.465 63.200 -0.130 0.000 0.786 384 S HN 1.090 nan 8.310 nan 0.000 0.492 385 H N -1.888 117.159 119.070 -0.039 0.000 2.933 385 H HA 0.657 5.214 4.556 0.002 0.000 0.310 385 H C -0.648 174.625 175.328 -0.092 0.000 1.351 385 H CA -0.990 55.029 56.048 -0.047 0.000 1.137 385 H CB 0.952 30.681 29.762 -0.056 0.000 1.853 385 H HN 0.129 nan 8.280 nan 0.000 0.539 386 A N 1.129 124.031 122.820 0.137 0.000 2.573 386 A HA 0.028 4.349 4.320 0.002 0.000 0.250 386 A C 1.364 178.826 177.584 -0.204 0.000 1.049 386 A CA 0.563 52.484 52.037 -0.192 0.000 0.767 386 A CB -0.339 18.330 19.000 -0.551 0.000 0.965 386 A HN 0.745 nan 8.150 nan 0.000 0.514 387 S N 2.210 117.807 115.700 -0.171 0.000 2.527 387 S HA -0.106 4.365 4.470 0.002 0.000 0.222 387 S C 1.300 175.927 174.600 0.044 0.000 0.985 387 S CA 0.938 59.113 58.200 -0.041 0.000 0.921 387 S CB -0.621 62.577 63.200 -0.004 0.000 0.772 387 S HN 1.073 nan 8.310 nan 0.000 0.529 388 Y N -0.013 120.374 120.300 0.145 0.000 2.616 388 Y HA 0.344 4.895 4.550 0.001 0.000 0.296 388 Y C 0.611 176.597 175.900 0.144 0.000 1.154 388 Y CA -1.260 56.911 58.100 0.119 0.000 1.325 388 Y CB -0.971 37.552 38.460 0.105 0.000 1.007 388 Y HN 0.317 nan 8.280 nan 0.000 0.542 389 Y N 3.708 123.992 120.300 -0.028 0.000 2.320 389 Y HA 0.491 5.042 4.550 0.001 0.000 0.334 389 Y C -2.346 173.632 175.900 0.129 0.000 1.055 389 Y CA -3.633 54.489 58.100 0.037 0.000 1.143 389 Y CB 0.894 39.274 38.460 -0.134 0.000 1.193 389 Y HN -0.106 nan 8.280 nan 0.000 0.477 390 P HA 0.137 nan 4.420 nan 0.000 0.268 390 P C 0.412 177.806 177.300 0.156 0.000 1.208 390 P CA 1.545 64.579 63.100 -0.109 0.000 0.777 390 P CB 0.633 32.184 31.700 -0.248 0.000 0.875 391 G N 0.153 109.017 108.800 0.106 0.000 2.175 391 G HA2 -0.132 3.829 3.960 0.002 0.000 0.244 391 G HA3 -0.132 3.829 3.960 0.002 0.000 0.244 391 G C 0.414 175.297 174.900 -0.027 0.000 0.982 391 G CA 0.016 45.189 45.100 0.122 0.000 0.641 391 G HN 0.852 nan 8.290 nan 0.000 0.527 392 A N -0.026 122.679 122.820 -0.192 0.000 2.445 392 A HA 0.595 4.916 4.320 0.002 0.000 0.242 392 A C 0.442 177.868 177.584 -0.263 0.000 1.075 392 A CA 0.493 52.170 52.037 -0.600 0.000 0.777 392 A CB 0.373 19.099 19.000 -0.457 0.000 1.013 392 A HN 0.362 nan 8.150 nan 0.000 0.493 393 E N 0.860 120.916 120.200 -0.239 0.000 2.336 393 E HA 0.400 4.751 4.350 0.002 0.000 0.267 393 E C -1.027 175.505 176.600 -0.114 0.000 0.906 393 E CA -0.897 55.428 56.400 -0.125 0.000 0.781 393 E CB 1.804 31.453 29.700 -0.086 0.000 1.261 393 E HN 0.324 nan 8.360 nan 0.000 0.436 394 V N 1.619 121.481 119.914 -0.086 0.000 2.572 394 V HA 0.074 4.195 4.120 0.002 0.000 0.291 394 V C 0.085 176.118 176.094 -0.102 0.000 1.039 394 V CA -0.224 62.033 62.300 -0.073 0.000 1.055 394 V CB 0.997 32.790 31.823 -0.050 0.000 0.969 394 V HN 0.336 nan 8.190 nan 0.000 0.482 395 V N 4.777 124.642 119.914 -0.081 0.000 2.370 395 V HA 0.330 4.451 4.120 0.002 0.000 0.283 395 V C 0.291 176.344 176.094 -0.068 0.000 1.023 395 V CA -0.223 62.024 62.300 -0.089 0.000 0.857 395 V CB 1.758 33.537 31.823 -0.073 0.000 0.985 395 V HN 0.879 nan 8.190 nan 0.000 0.443 396 S N 5.356 120.965 115.700 -0.152 0.000 2.438 396 S HA 0.658 5.129 4.470 0.002 0.000 0.293 396 S C -0.799 173.793 174.600 -0.013 0.000 1.141 396 S CA -0.265 57.849 58.200 -0.144 0.000 1.080 396 S CB 0.425 63.348 63.200 -0.462 0.000 0.978 396 S HN 0.580 nan 8.310 nan 0.000 0.479 397 F N 3.413 123.268 119.950 -0.157 0.000 2.547 397 F HA 0.549 5.077 4.527 0.002 0.000 0.316 397 F C -0.510 175.280 175.800 -0.016 0.000 1.121 397 F CA -0.755 57.200 58.000 -0.076 0.000 0.911 397 F CB 1.168 40.114 39.000 -0.090 0.000 1.179 397 F HN 0.363 nan 8.300 nan 0.000 0.443 398 K N 6.464 126.577 120.400 -0.479 0.000 2.323 398 K HA 0.616 4.937 4.320 0.002 0.000 0.259 398 K C -2.192 174.019 176.600 -0.647 0.000 0.947 398 K CA -0.873 55.162 56.287 -0.419 0.000 0.819 398 K CB 1.655 34.039 32.500 -0.194 0.000 1.109 398 K HN 0.671 nan 8.250 nan 0.000 0.429 399 L N 6.069 127.073 121.223 -0.365 0.000 2.325 399 L HA 0.446 4.787 4.340 0.002 0.000 0.281 399 L C -1.569 175.343 176.870 0.069 0.000 1.004 399 L CA -0.507 54.238 54.840 -0.159 0.000 0.823 399 L CB 1.316 43.399 42.059 0.040 0.000 1.236 399 L HN 0.658 nan 8.230 nan 0.000 0.415 400 L N 6.288 127.558 121.223 0.078 0.000 2.289 400 L HA 0.637 4.978 4.340 0.002 0.000 0.285 400 L C -0.775 176.290 176.870 0.324 0.000 1.049 400 L CA -0.521 54.420 54.840 0.168 0.000 0.804 400 L CB 1.105 43.195 42.059 0.052 0.000 1.195 400 L HN 0.688 nan 8.230 nan 0.000 0.428 401 F N -0.360 119.664 119.950 0.123 0.000 2.713 401 F HA 0.393 4.921 4.527 0.002 0.000 0.311 401 F C -0.825 174.894 175.800 -0.136 0.000 1.141 401 F CA -1.371 56.526 58.000 -0.170 0.000 0.939 401 F CB 0.949 39.868 39.000 -0.135 0.000 1.325 401 F HN 0.289 nan 8.300 nan 0.000 0.453 402 D N 3.336 123.509 120.400 -0.378 0.000 2.339 402 D HA 0.220 4.861 4.640 0.002 0.000 0.256 402 D C -1.789 174.595 176.300 0.139 0.000 1.214 402 D CA -1.657 52.301 54.000 -0.069 0.000 0.877 402 D CB 1.765 42.479 40.800 -0.144 0.000 1.111 402 D HN 0.352 nan 8.370 nan 0.000 0.478 403 P HA -0.068 nan 4.420 nan 0.000 0.236 403 P C 1.261 178.659 177.300 0.163 0.000 1.177 403 P CA 0.460 63.656 63.100 0.159 0.000 0.773 403 P CB 0.376 32.078 31.700 0.002 0.000 0.878 404 V N -2.562 117.418 119.914 0.110 0.000 2.806 404 V HA 0.199 4.320 4.120 0.002 0.000 0.239 404 V C 2.102 178.240 176.094 0.074 0.000 1.113 404 V CA 0.602 62.953 62.300 0.085 0.000 1.137 404 V CB -1.055 30.805 31.823 0.061 0.000 0.865 404 V HN -0.125 nan 8.190 nan 0.000 0.482 405 K N 1.160 121.599 120.400 0.064 0.000 2.365 405 K HA 0.312 4.633 4.320 0.002 0.000 0.197 405 K C 1.571 178.184 176.600 0.022 0.000 1.042 405 K CA 0.807 57.117 56.287 0.038 0.000 0.987 405 K CB 0.037 32.555 32.500 0.031 0.000 0.779 405 K HN 0.761 nan 8.250 nan 0.000 0.484 406 G N 1.803 110.630 108.800 0.046 0.000 2.162 406 G HA2 -0.268 3.693 3.960 0.002 0.000 0.260 406 G HA3 -0.268 3.693 3.960 0.002 0.000 0.260 406 G C 0.205 175.072 174.900 -0.056 0.000 0.976 406 G CA 0.533 45.643 45.100 0.017 0.000 0.655 406 G HN 0.301 nan 8.290 nan 0.000 0.533 407 T N 1.012 115.479 114.554 -0.145 0.000 2.940 407 T HA 0.429 4.780 4.350 0.002 0.000 0.309 407 T C 0.938 175.418 174.700 -0.367 0.000 1.056 407 T CA 0.230 62.188 62.100 -0.237 0.000 1.137 407 T CB 1.339 69.999 68.868 -0.347 0.000 0.976 407 T HN 0.320 nan 8.240 nan 0.000 0.547 408 I N 3.294 123.761 120.570 -0.172 0.000 2.312 408 I HA 0.182 4.353 4.170 0.002 0.000 0.291 408 I C 0.289 176.410 176.117 0.007 0.000 1.031 408 I CA -0.346 60.907 61.300 -0.079 0.000 1.293 408 I CB 0.688 38.690 38.000 0.003 0.000 1.403 408 I HN 0.621 nan 8.210 nan 0.000 0.484 409 F N 4.014 124.027 119.950 0.106 0.000 2.530 409 F HA 0.347 4.874 4.527 0.002 0.000 0.292 409 F C 1.394 177.202 175.800 0.014 0.000 1.109 409 F CA -0.359 57.676 58.000 0.058 0.000 1.450 409 F CB -0.025 38.987 39.000 0.019 0.000 1.114 409 F HN 0.483 nan 8.300 nan 0.000 0.560 410 G N -1.026 107.875 108.800 0.168 0.000 2.387 410 G HA2 0.613 4.574 3.960 0.002 0.000 0.294 410 G HA3 0.613 4.574 3.960 0.002 0.000 0.294 410 G C -2.118 172.754 174.900 -0.046 0.000 1.509 410 G CA -0.165 44.961 45.100 0.044 0.000 0.806 410 G HN 0.291 nan 8.290 nan 0.000 0.546 411 A N -0.044 122.710 122.820 -0.109 0.000 2.594 411 A HA 0.929 5.250 4.320 0.002 0.000 0.295 411 A C -0.854 176.576 177.584 -0.257 0.000 1.071 411 A CA -0.539 51.333 52.037 -0.276 0.000 0.685 411 A CB 1.996 20.857 19.000 -0.232 0.000 1.285 411 A HN 0.784 nan 8.150 nan 0.000 0.405 412 Q N -0.564 119.005 119.800 -0.384 0.000 2.379 412 Q HA 0.754 5.095 4.340 0.002 0.000 0.278 412 Q C -0.940 174.929 176.000 -0.218 0.000 1.068 412 Q CA -0.652 55.025 55.803 -0.210 0.000 0.816 412 Q CB 2.769 31.430 28.738 -0.128 0.000 1.387 412 Q HN 1.538 nan 8.270 nan 0.000 0.413 413 A N 1.087 123.873 122.820 -0.056 0.000 2.566 413 A HA 0.791 5.112 4.320 0.002 0.000 0.297 413 A C -1.619 175.953 177.584 -0.020 0.000 1.059 413 A CA -0.482 51.571 52.037 0.025 0.000 0.691 413 A CB 1.607 20.732 19.000 0.209 0.000 1.282 413 A HN 0.351 nan 8.150 nan 0.000 0.401 414 V N 0.779 120.640 119.914 -0.087 0.000 2.760 414 V HA 0.946 5.067 4.120 0.002 0.000 0.309 414 V C 0.467 176.427 176.094 -0.223 0.000 1.077 414 V CA 0.432 62.639 62.300 -0.156 0.000 0.910 414 V CB 1.633 33.322 31.823 -0.222 0.000 1.008 414 V HN 2.202 nan 8.190 nan 0.000 0.424 415 G N 3.386 112.093 108.800 -0.155 0.000 2.324 415 G HA2 0.246 4.207 3.960 0.002 0.000 0.293 415 G HA3 0.246 4.207 3.960 0.002 0.000 0.293 415 G C -0.538 174.319 174.900 -0.072 0.000 1.297 415 G CA -0.521 44.490 45.100 -0.147 0.000 0.853 415 G HN 0.540 nan 8.290 nan 0.000 0.535 416 K N -0.687 119.677 120.400 -0.060 0.000 2.393 416 K HA 0.298 4.619 4.320 0.002 0.000 0.193 416 K C -0.172 176.417 176.600 -0.018 0.000 1.026 416 K CA 0.676 56.949 56.287 -0.024 0.000 1.064 416 K CB 0.477 32.969 32.500 -0.013 0.000 0.833 416 K HN 0.472 nan 8.250 nan 0.000 0.521 417 D N -1.761 118.619 120.400 -0.032 0.000 2.654 417 D HA 0.297 4.938 4.640 0.002 0.000 0.231 417 D C -0.014 176.275 176.300 -0.018 0.000 1.239 417 D CA 0.162 54.154 54.000 -0.014 0.000 0.790 417 D CB 1.431 42.222 40.800 -0.015 0.000 1.480 417 D HN 0.024 nan 8.370 nan 0.000 0.442 418 G N 1.958 110.760 108.800 0.002 0.000 2.153 418 G HA2 -0.265 3.696 3.960 0.002 0.000 0.252 418 G HA3 -0.265 3.696 3.960 0.002 0.000 0.252 418 G C 0.959 175.851 174.900 -0.013 0.000 0.994 418 G CA 0.533 45.632 45.100 -0.001 0.000 0.698 418 G HN 0.432 nan 8.290 nan 0.000 0.521 419 I N 1.967 122.531 120.570 -0.010 0.000 2.193 419 I HA -0.038 4.133 4.170 0.002 0.000 0.240 419 I C 2.739 178.859 176.117 0.005 0.000 1.084 419 I CA 1.981 63.281 61.300 -0.000 0.000 1.365 419 I CB -1.315 36.681 38.000 -0.007 0.000 1.064 419 I HN 0.424 nan 8.210 nan 0.000 0.410 420 D N 1.982 122.378 120.400 -0.007 0.000 2.126 420 D HA -0.312 4.329 4.640 0.002 0.000 0.190 420 D C 1.968 178.260 176.300 -0.014 0.000 1.001 420 D CA 1.879 55.870 54.000 -0.014 0.000 0.841 420 D CB -0.762 40.025 40.800 -0.022 0.000 0.949 420 D HN 0.387 nan 8.370 nan 0.000 0.446 421 K N 0.455 120.846 120.400 -0.016 0.000 2.020 421 K HA -0.202 4.119 4.320 0.002 0.000 0.212 421 K C 2.298 178.883 176.600 -0.025 0.000 1.050 421 K CA 1.297 57.570 56.287 -0.024 0.000 0.929 421 K CB 0.062 32.547 32.500 -0.024 0.000 0.714 421 K HN -0.126 nan 8.250 nan 0.000 0.443 422 R N 0.626 121.114 120.500 -0.021 0.000 2.096 422 R HA -0.028 4.313 4.340 0.002 0.000 0.235 422 R C 2.150 178.500 176.300 0.083 0.000 1.127 422 R CA 0.972 57.064 56.100 -0.012 0.000 0.968 422 R CB -0.609 29.675 30.300 -0.026 0.000 0.861 422 R HN 0.348 nan 8.270 nan 0.000 0.440 423 I N 0.749 121.363 120.570 0.073 0.000 2.353 423 I HA -0.156 4.015 4.170 0.002 0.000 0.248 423 I C 1.075 177.200 176.117 0.013 0.000 1.119 423 I CA 1.205 62.540 61.300 0.059 0.000 1.417 423 I CB -0.957 37.058 38.000 0.025 0.000 1.078 423 I HN 0.058 nan 8.210 nan 0.000 0.421 424 D N 0.747 121.143 120.400 -0.008 0.000 2.097 424 D HA -0.065 4.576 4.640 0.002 0.000 0.195 424 D C 1.415 177.695 176.300 -0.033 0.000 0.989 424 D CA 0.580 54.562 54.000 -0.030 0.000 0.827 424 D CB -0.179 40.600 40.800 -0.035 0.000 0.966 424 D HN 0.003 nan 8.370 nan 0.000 0.456 428 V N 1.406 121.263 119.914 -0.095 0.000 2.295 428 V HA -0.155 3.966 4.120 0.002 0.000 0.246 428 V C 3.012 179.055 176.094 -0.085 0.000 1.049 428 V CA 2.641 64.885 62.300 -0.093 0.000 1.024 428 V CB -1.302 30.481 31.823 -0.067 0.000 0.648 428 V HN 0.737 nan 8.190 nan 0.000 0.447 429 A N -0.613 122.170 122.820 -0.061 0.000 1.902 429 A HA -0.318 4.003 4.320 0.002 0.000 0.217 429 A C 2.299 179.858 177.584 -0.041 0.000 1.181 429 A CA 2.244 54.256 52.037 -0.042 0.000 0.623 429 A CB -0.564 18.419 19.000 -0.028 0.000 0.818 429 A HN 0.620 nan 8.150 nan 0.000 0.443 430 Q N -0.637 119.125 119.800 -0.064 0.000 2.079 430 Q HA -0.184 4.157 4.340 0.002 0.000 0.200 430 Q C 2.322 178.254 176.000 -0.114 0.000 0.974 430 Q CA 1.535 57.308 55.803 -0.049 0.000 0.840 430 Q CB -0.170 28.533 28.738 -0.059 0.000 0.898 430 Q HN 0.661 nan 8.270 nan 0.000 0.430 431 R N -0.351 119.960 120.500 -0.315 0.000 2.127 431 R HA -0.106 4.235 4.340 0.002 0.000 0.238 431 R C 1.622 177.884 176.300 -0.063 0.000 1.134 431 R CA 1.360 57.199 56.100 -0.436 0.000 0.975 431 R CB -0.206 29.815 30.300 -0.465 0.000 0.865 431 R HN 0.295 nan 8.270 nan 0.000 0.447 432 A N -0.015 122.785 122.820 -0.033 0.000 2.275 432 A HA 0.340 4.661 4.320 0.002 0.000 0.212 432 A C 0.706 178.323 177.584 0.054 0.000 1.201 432 A CA 0.540 52.588 52.037 0.017 0.000 0.843 432 A CB -0.172 18.822 19.000 -0.009 0.000 0.873 432 A HN 0.609 nan 8.150 nan 0.000 0.492 436 V N 0.055 119.909 119.914 -0.099 0.000 2.427 436 V HA -0.020 4.101 4.120 0.002 0.000 0.248 436 V C 2.387 178.409 176.094 -0.120 0.000 1.051 436 V CA 2.639 64.838 62.300 -0.169 0.000 1.048 436 V CB -1.308 30.281 31.823 -0.391 0.000 0.666 436 V HN 1.082 nan 8.190 nan 0.000 0.456 437 E N 1.264 121.425 120.200 -0.064 0.000 2.110 437 E HA -0.283 4.068 4.350 0.002 0.000 0.193 437 E C 2.056 178.705 176.600 0.081 0.000 0.988 437 E CA 2.191 58.592 56.400 0.001 0.000 0.804 437 E CB -0.870 28.850 29.700 0.033 0.000 0.745 437 E HN 0.768 nan 8.360 nan 0.000 0.458 438 Q N 0.085 119.929 119.800 0.073 0.000 2.119 438 Q HA 0.023 4.364 4.340 0.002 0.000 0.201 438 Q C 2.354 178.411 176.000 0.096 0.000 0.972 438 Q CA 1.318 57.203 55.803 0.136 0.000 0.847 438 Q CB -0.188 28.578 28.738 0.046 0.000 0.903 438 Q HN 0.347 nan 8.270 nan 0.000 0.433 439 L N 0.760 121.971 121.223 -0.021 0.000 2.263 439 L HA -0.262 4.079 4.340 0.002 0.000 0.216 439 L C 2.051 178.811 176.870 -0.183 0.000 1.111 439 L CA 1.175 55.959 54.840 -0.093 0.000 0.773 439 L CB -0.382 41.599 42.059 -0.130 0.000 0.906 439 L HN 0.325 nan 8.230 nan 0.000 0.439 440 Q N -1.235 118.429 119.800 -0.227 0.000 2.369 440 Q HA -0.104 4.237 4.340 0.002 0.000 0.206 440 Q C 1.295 177.026 176.000 -0.448 0.000 0.963 440 Q CA 0.717 56.246 55.803 -0.456 0.000 0.894 440 Q CB 0.031 28.541 28.738 -0.380 0.000 0.965 440 Q HN 0.631 nan 8.270 nan 0.000 0.475 441 H N -0.376 118.647 119.070 -0.079 0.000 2.529 441 H HA 0.190 4.747 4.556 0.002 0.000 0.277 441 H C 0.214 175.510 175.328 -0.054 0.000 1.004 441 H CA -0.122 55.904 56.048 -0.037 0.000 1.167 441 H CB 0.385 30.138 29.762 -0.016 0.000 1.445 441 H HN 0.171 nan 8.280 nan 0.000 0.554 442 L N 1.950 123.166 121.223 -0.011 0.000 2.525 442 L HA -0.033 4.308 4.340 0.002 0.000 0.278 442 L C 0.807 177.654 176.870 -0.038 0.000 1.218 442 L CA 0.744 55.562 54.840 -0.036 0.000 0.878 442 L CB 0.506 42.516 42.059 -0.082 0.000 1.127 442 L HN 0.212 nan 8.230 nan 0.000 0.492 443 E N 4.716 124.905 120.200 -0.018 0.000 2.183 443 E HA 0.402 4.753 4.350 0.002 0.000 0.250 443 E C -1.003 175.590 176.600 -0.013 0.000 0.901 443 E CA -0.427 55.969 56.400 -0.005 0.000 0.741 443 E CB 0.723 30.430 29.700 0.011 0.000 1.182 443 E HN 0.463 nan 8.360 nan 0.000 0.425 444 L N 1.321 122.533 121.223 -0.019 0.000 2.376 444 L HA 0.424 4.765 4.340 0.002 0.000 0.267 444 L C 0.690 177.573 176.870 0.022 0.000 1.035 444 L CA -1.087 53.744 54.840 -0.016 0.000 0.800 444 L CB 1.511 43.546 42.059 -0.040 0.000 1.290 444 L HN 0.314 nan 8.230 nan 0.000 0.462 445 S N 0.023 115.733 115.700 0.016 0.000 2.525 445 S HA 0.112 4.583 4.470 0.002 0.000 0.285 445 S C -0.950 173.730 174.600 0.133 0.000 1.283 445 S CA 0.075 58.297 58.200 0.035 0.000 1.072 445 S CB -0.308 62.881 63.200 -0.019 0.000 0.867 445 S HN 0.395 nan 8.310 nan 0.000 0.492 446 Y N 3.341 123.641 120.300 -0.000 0.000 2.327 446 Y HA 0.598 5.150 4.550 0.002 0.000 0.325 446 Y C -0.488 175.431 175.900 0.032 0.000 0.999 446 Y CA -0.616 57.495 58.100 0.017 0.000 1.195 446 Y CB 0.575 39.042 38.460 0.012 0.000 1.132 446 Y HN 0.704 nan 8.280 nan 0.000 0.455 447 A N 6.611 129.206 122.820 -0.375 0.000 2.498 447 A HA 0.617 4.938 4.320 0.002 0.000 0.298 447 A C -2.592 174.667 177.584 -0.542 0.000 1.075 447 A CA -2.029 49.653 52.037 -0.592 0.000 0.714 447 A CB 1.677 20.570 19.000 -0.178 0.000 1.299 447 A HN 0.557 nan 8.150 nan 0.000 0.407 448 P HA -0.079 nan 4.420 nan 0.000 0.216 448 P C -1.586 175.130 177.300 -0.973 0.000 1.150 448 P CA 1.723 64.552 63.100 -0.452 0.000 0.843 448 P CB -0.556 31.000 31.700 -0.241 0.000 0.787 449 P HA -0.054 nan 4.420 nan 0.000 0.237 449 P C 0.355 176.867 177.300 -1.315 0.000 1.178 449 P CA 1.267 63.236 63.100 -1.884 0.000 0.766 449 P CB -0.259 30.345 31.700 -1.828 0.000 0.876 450 Y N -2.425 117.626 120.300 -0.415 0.000 2.494 450 Y HA 0.496 5.046 4.550 0.001 0.000 0.271 450 Y C 1.510 177.413 175.900 0.005 0.000 1.113 450 Y CA 0.059 58.064 58.100 -0.157 0.000 1.240 450 Y CB 0.133 38.510 38.460 -0.139 0.000 1.268 450 Y HN -0.145 nan 8.280 nan 0.000 0.510 451 G N -0.702 108.228 108.800 0.217 0.000 2.677 451 G HA2 0.566 4.527 3.960 0.002 0.000 0.283 451 G HA3 0.566 4.527 3.960 0.002 0.000 0.283 451 G C -1.230 173.834 174.900 0.272 0.000 1.221 451 G CA -0.516 44.718 45.100 0.224 0.000 0.851 451 G HN -0.074 nan 8.290 nan 0.000 0.504 452 S N -1.364 114.377 115.700 0.068 0.000 2.661 452 S HA 0.658 5.129 4.470 0.002 0.000 0.285 452 S C 1.033 175.200 174.600 -0.722 0.000 1.138 452 S CA 0.166 58.184 58.200 -0.302 0.000 0.855 452 S CB 1.515 64.610 63.200 -0.175 0.000 1.136 452 S HN 1.525 nan 8.310 nan 0.000 0.484 453 A N 0.665 122.828 122.820 -1.096 0.000 1.933 453 A HA 0.045 4.366 4.320 0.002 0.000 0.218 453 A C 0.674 178.082 177.584 -0.293 0.000 1.175 453 A CA 1.341 52.893 52.037 -0.809 0.000 0.628 453 A CB -0.361 18.321 19.000 -0.530 0.000 0.814 453 A HN 0.636 nan 8.150 nan 0.000 0.444 454 K N 0.787 121.065 120.400 -0.203 0.000 2.293 454 K HA 0.339 4.660 4.320 0.002 0.000 0.267 454 K C -1.244 175.277 176.600 -0.132 0.000 1.010 454 K CA -0.411 55.817 56.287 -0.099 0.000 0.875 454 K CB 1.310 33.822 32.500 0.019 0.000 1.106 454 K HN 0.366 nan 8.250 nan 0.000 0.450 455 D N 1.495 121.806 120.400 -0.149 0.000 2.339 455 D HA -0.000 4.641 4.640 0.002 0.000 0.245 455 D C 1.361 177.539 176.300 -0.204 0.000 1.115 455 D CA -0.191 53.714 54.000 -0.158 0.000 0.917 455 D CB 1.053 41.759 40.800 -0.157 0.000 1.192 455 D HN 0.146 nan 8.370 nan 0.000 0.428 456 V N 2.832 122.615 119.914 -0.218 0.000 2.251 456 V HA -0.364 3.757 4.120 0.002 0.000 0.259 456 V C 2.288 178.104 176.094 -0.465 0.000 1.078 456 V CA 2.117 64.225 62.300 -0.320 0.000 1.072 456 V CB -0.731 30.842 31.823 -0.417 0.000 0.681 456 V HN 0.635 nan 8.190 nan 0.000 0.454 457 I N -0.169 120.097 120.570 -0.506 0.000 2.226 457 I HA -0.234 3.937 4.170 0.002 0.000 0.245 457 I C 2.157 178.048 176.117 -0.377 0.000 1.100 457 I CA 2.080 63.089 61.300 -0.485 0.000 1.374 457 I CB -0.543 37.230 38.000 -0.379 0.000 1.057 457 I HN 0.405 nan 8.210 nan 0.000 0.413 458 N N -0.028 118.439 118.700 -0.388 0.000 2.120 458 N HA -0.207 4.534 4.740 0.002 0.000 0.188 458 N C 1.877 176.968 175.510 -0.698 0.000 1.024 458 N CA 0.952 53.647 53.050 -0.592 0.000 0.852 458 N CB -0.052 38.120 38.487 -0.526 0.000 1.003 458 N HN 0.284 nan 8.380 nan 0.000 0.424 459 Q N 0.677 120.278 119.800 -0.332 0.000 2.020 459 Q HA -0.071 4.270 4.340 0.002 0.000 0.202 459 Q C 2.301 178.261 176.000 -0.066 0.000 0.982 459 Q CA 1.536 57.294 55.803 -0.076 0.000 0.838 459 Q CB -0.709 28.015 28.738 -0.024 0.000 0.899 459 Q HN 0.440 nan 8.270 nan 0.000 0.423 460 A N 1.148 123.902 122.820 -0.109 0.000 1.940 460 A HA -0.152 4.169 4.320 0.002 0.000 0.219 460 A C 2.334 179.872 177.584 -0.076 0.000 1.176 460 A CA 2.163 54.196 52.037 -0.007 0.000 0.631 460 A CB -0.726 18.374 19.000 0.168 0.000 0.814 460 A HN 0.390 nan 8.150 nan 0.000 0.446 461 A N -1.182 121.512 122.820 -0.210 0.000 1.933 461 A HA 0.023 4.344 4.320 0.002 0.000 0.218 461 A C 1.892 179.378 177.584 -0.163 0.000 1.175 461 A CA 1.579 53.462 52.037 -0.257 0.000 0.628 461 A CB -0.672 18.108 19.000 -0.366 0.000 0.814 461 A HN 0.443 nan 8.150 nan 0.000 0.444 462 F N -0.173 119.713 119.950 -0.107 0.000 2.146 462 F HA -0.084 4.444 4.527 0.002 0.000 0.298 462 F C 2.467 178.225 175.800 -0.070 0.000 1.096 462 F CA 0.947 58.893 58.000 -0.091 0.000 1.275 462 F CB -0.920 38.037 39.000 -0.072 0.000 1.008 462 F HN 0.029 nan 8.300 nan 0.000 0.480 463 V N -0.168 119.825 119.914 0.133 0.000 2.323 463 V HA -0.207 3.914 4.120 0.002 0.000 0.244 463 V C 2.628 178.741 176.094 0.031 0.000 1.041 463 V CA 1.524 63.876 62.300 0.086 0.000 1.025 463 V CB -1.475 30.409 31.823 0.101 0.000 0.656 463 V HN 0.305 nan 8.190 nan 0.000 0.451 464 A N -0.151 122.628 122.820 -0.069 0.000 1.908 464 A HA -0.231 4.090 4.320 0.002 0.000 0.218 464 A C 2.492 179.940 177.584 -0.226 0.000 1.181 464 A CA 2.417 54.280 52.037 -0.290 0.000 0.627 464 A CB -0.742 17.747 19.000 -0.851 0.000 0.818 464 A HN 0.496 nan 8.150 nan 0.000 0.445 465 S N 0.324 115.939 115.700 -0.142 0.000 2.383 465 S HA -0.139 4.332 4.470 0.002 0.000 0.227 465 S C 1.893 176.502 174.600 0.015 0.000 1.026 465 S CA 1.245 59.412 58.200 -0.056 0.000 0.981 465 S CB -0.443 62.754 63.200 -0.005 0.000 0.818 465 S HN 0.673 nan 8.310 nan 0.000 0.472 466 N N 1.821 120.541 118.700 0.033 0.000 2.104 466 N HA 0.003 4.744 4.740 0.002 0.000 0.190 466 N C 1.609 177.150 175.510 0.051 0.000 1.024 466 N CA 1.046 54.121 53.050 0.042 0.000 0.853 466 N CB -0.507 38.002 38.487 0.037 0.000 1.008 466 N HN 0.385 nan 8.380 nan 0.000 0.424 467 I N 0.802 121.411 120.570 0.065 0.000 2.226 467 I HA -0.225 3.946 4.170 0.002 0.000 0.245 467 I C 1.974 178.166 176.117 0.125 0.000 1.100 467 I CA 0.955 62.318 61.300 0.104 0.000 1.374 467 I CB -0.228 37.889 38.000 0.194 0.000 1.057 467 I HN 0.073 nan 8.210 nan 0.000 0.413 468 I N 0.625 121.273 120.570 0.131 0.000 2.226 468 I HA -0.272 3.899 4.170 0.002 0.000 0.245 468 I C 2.212 178.379 176.117 0.084 0.000 1.100 468 I CA 1.526 62.901 61.300 0.125 0.000 1.374 468 I CB -0.270 37.785 38.000 0.091 0.000 1.057 468 I HN 0.146 nan 8.210 nan 0.000 0.413 469 K N 0.349 120.789 120.400 0.066 0.000 2.432 469 K HA 0.080 4.401 4.320 0.002 0.000 0.196 469 K C 1.224 177.862 176.600 0.064 0.000 1.038 469 K CA 0.722 57.044 56.287 0.058 0.000 0.986 469 K CB 0.219 32.749 32.500 0.050 0.000 0.782 469 K HN 0.464 nan 8.250 nan 0.000 0.485 470 G N 1.198 110.041 108.800 0.073 0.000 2.175 470 G HA2 -0.221 3.740 3.960 0.002 0.000 0.244 470 G HA3 -0.221 3.740 3.960 0.002 0.000 0.244 470 G C 0.301 175.265 174.900 0.107 0.000 0.982 470 G CA 0.387 45.536 45.100 0.083 0.000 0.641 470 G HN 0.287 nan 8.290 nan 0.000 0.527 471 D N 0.551 121.010 120.400 0.099 0.000 2.355 471 D HA 0.443 5.084 4.640 0.002 0.000 0.218 471 D C 1.297 177.704 176.300 0.177 0.000 1.004 471 D CA 1.317 55.397 54.000 0.134 0.000 0.880 471 D CB 0.435 41.287 40.800 0.087 0.000 0.911 471 D HN 0.956 nan 8.370 nan 0.000 0.528 472 A N -0.375 122.473 122.820 0.046 0.000 2.498 472 A HA 0.664 4.985 4.320 0.002 0.000 0.298 472 A C -0.696 176.757 177.584 -0.219 0.000 1.075 472 A CA -0.531 51.346 52.037 -0.266 0.000 0.714 472 A CB 1.829 20.718 19.000 -0.184 0.000 1.299 472 A HN -0.083 nan 8.150 nan 0.000 0.407 473 T N 3.775 118.057 114.554 -0.454 0.000 2.890 473 T HA 0.622 4.973 4.350 0.002 0.000 0.295 473 T C -2.967 171.635 174.700 -0.164 0.000 0.993 473 T CA -0.872 61.157 62.100 -0.118 0.000 0.979 473 T CB 1.679 70.616 68.868 0.115 0.000 0.967 473 T HN 0.539 nan 8.240 nan 0.000 0.441 474 P HA 0.600 nan 4.420 nan 0.000 0.284 474 P C -0.759 176.427 177.300 -0.189 0.000 1.258 474 P CA -0.732 62.253 63.100 -0.191 0.000 0.824 474 P CB 1.608 33.165 31.700 -0.239 0.000 1.038 475 I N 1.297 121.746 120.570 -0.201 0.000 2.785 475 I HA 0.422 4.593 4.170 0.002 0.000 0.302 475 I C -0.471 175.506 176.117 -0.233 0.000 1.069 475 I CA -0.890 60.319 61.300 -0.152 0.000 1.045 475 I CB 1.844 39.836 38.000 -0.014 0.000 1.236 475 I HN 0.332 nan 8.210 nan 0.000 0.429 476 H N 4.932 124.043 119.070 0.068 0.000 2.693 476 H HA 0.293 4.850 4.556 0.002 0.000 0.348 476 H C 0.279 175.632 175.328 0.042 0.000 1.222 476 H CA -0.274 55.831 56.048 0.096 0.000 1.270 476 H CB 1.394 31.151 29.762 -0.008 0.000 1.798 476 H HN 0.675 nan 8.280 nan 0.000 0.592 477 F N 0.466 120.607 119.950 0.319 0.000 2.202 477 F HA -0.138 4.390 4.527 0.002 0.000 0.301 477 F C 1.362 177.276 175.800 0.190 0.000 1.082 477 F CA 0.998 59.150 58.000 0.253 0.000 1.313 477 F CB -0.328 38.746 39.000 0.124 0.000 1.024 477 F HN 0.356 nan 8.300 nan 0.000 0.495 478 D N -0.010 119.994 120.400 -0.661 0.000 2.328 478 D HA -0.049 4.592 4.640 0.002 0.000 0.226 478 D C 1.246 177.468 176.300 -0.129 0.000 1.066 478 D CA 0.278 54.050 54.000 -0.380 0.000 0.861 478 D CB -0.296 40.154 40.800 -0.584 0.000 0.912 478 D HN 0.579 nan 8.370 nan 0.000 0.521 479 Q N -0.466 119.307 119.800 -0.045 0.000 2.288 479 Q HA 0.315 4.656 4.340 0.002 0.000 0.256 479 Q C 1.909 177.931 176.000 0.036 0.000 0.835 479 Q CA -0.212 55.591 55.803 -0.000 0.000 0.958 479 Q CB 0.934 29.677 28.738 0.008 0.000 1.125 479 Q HN 0.162 nan 8.270 nan 0.000 0.513 480 I N 1.210 121.822 120.570 0.070 0.000 2.830 480 I HA -0.175 3.996 4.170 0.002 0.000 0.263 480 I C 0.762 176.907 176.117 0.046 0.000 1.230 480 I CA 0.969 62.303 61.300 0.055 0.000 1.480 480 I CB 0.356 38.378 38.000 0.037 0.000 1.095 480 I HN 0.080 nan 8.210 nan 0.000 0.455 481 D N 0.302 120.756 120.400 0.091 0.000 2.289 481 D HA -0.061 4.580 4.640 0.002 0.000 0.207 481 D C 1.288 177.617 176.300 0.048 0.000 0.966 481 D CA 0.431 54.482 54.000 0.084 0.000 0.868 481 D CB -0.093 40.777 40.800 0.116 0.000 0.943 481 D HN 0.470 nan 8.370 nan 0.000 0.514 482 N N -0.179 118.544 118.700 0.039 0.000 2.091 482 N HA 0.103 4.844 4.740 0.002 0.000 0.229 482 N C -0.692 174.833 175.510 0.026 0.000 1.250 482 N CA -0.008 53.059 53.050 0.027 0.000 0.958 482 N CB 0.358 38.858 38.487 0.021 0.000 1.057 482 N HN -0.164 nan 8.380 nan 0.000 0.408 483 L N -0.483 120.755 121.223 0.025 0.000 1.383 483 L HA -0.146 4.195 4.340 0.002 0.000 0.492 483 L C -0.133 176.751 176.870 0.024 0.000 1.002 483 L CA 0.065 54.921 54.840 0.027 0.000 1.155 483 L CB -1.698 40.379 42.059 0.030 0.000 1.740 483 L HN 0.586 nan 8.230 nan 0.000 0.964 484 S N 1.412 117.127 115.700 0.025 0.000 2.694 484 S HA 0.589 5.060 4.470 0.002 0.000 0.278 484 S C 0.937 175.551 174.600 0.024 0.000 1.152 484 S CA -0.087 58.126 58.200 0.022 0.000 1.010 484 S CB 1.137 64.350 63.200 0.021 0.000 1.104 484 S HN 0.622 nan 8.310 nan 0.000 0.547 485 E N 0.004 120.217 120.200 0.021 0.000 2.274 485 E HA -0.096 4.255 4.350 0.002 0.000 0.194 485 E C 0.587 177.201 176.600 0.024 0.000 0.996 485 E CA 0.813 57.226 56.400 0.021 0.000 0.840 485 E CB -0.141 29.569 29.700 0.017 0.000 0.772 485 E HN 0.721 nan 8.360 nan 0.000 0.491 486 D N 0.392 120.807 120.400 0.026 0.000 2.352 486 D HA -0.041 4.600 4.640 0.002 0.000 0.232 486 D C -0.275 176.049 176.300 0.039 0.000 1.055 486 D CA 0.424 54.442 54.000 0.030 0.000 0.891 486 D CB 0.243 41.059 40.800 0.027 0.000 0.897 486 D HN 0.053 nan 8.370 nan 0.000 0.529 487 Q N -0.093 119.731 119.800 0.040 0.000 2.375 487 Q HA 0.519 4.860 4.340 0.002 0.000 0.271 487 Q C -1.290 174.740 176.000 0.049 0.000 1.074 487 Q CA -0.910 54.922 55.803 0.049 0.000 0.808 487 Q CB 3.029 31.796 28.738 0.047 0.000 1.327 487 Q HN 0.127 nan 8.270 nan 0.000 0.441 488 L N 2.720 123.977 121.223 0.057 0.000 2.381 488 L HA 0.471 4.812 4.340 0.002 0.000 0.274 488 L C -1.637 175.271 176.870 0.062 0.000 0.988 488 L CA -1.085 53.787 54.840 0.052 0.000 0.824 488 L CB 1.348 43.437 42.059 0.050 0.000 1.263 488 L HN 0.528 nan 8.230 nan 0.000 0.410 489 L N 5.492 126.756 121.223 0.069 0.000 2.278 489 L HA 0.422 4.763 4.340 0.002 0.000 0.287 489 L C -1.022 175.911 176.870 0.105 0.000 1.072 489 L CA 0.080 54.986 54.840 0.110 0.000 0.819 489 L CB 1.163 43.289 42.059 0.112 0.000 1.176 489 L HN 0.592 nan 8.230 nan 0.000 0.435 490 L N 5.515 126.796 121.223 0.098 0.000 2.319 490 L HA 0.484 4.825 4.340 0.002 0.000 0.281 490 L C -0.846 175.932 176.870 -0.154 0.000 1.005 490 L CA -0.232 54.601 54.840 -0.011 0.000 0.828 490 L CB 1.242 43.279 42.059 -0.037 0.000 1.227 490 L HN 0.576 nan 8.230 nan 0.000 0.415 491 D N 3.213 123.413 120.400 -0.334 0.000 2.277 491 D HA 0.223 4.864 4.640 0.002 0.000 0.249 491 D C 0.626 176.635 176.300 -0.484 0.000 1.134 491 D CA -0.071 53.409 54.000 -0.867 0.000 0.863 491 D CB 1.683 42.062 40.800 -0.702 0.000 1.143 491 D HN 0.411 nan 8.370 nan 0.000 0.458 492 V N 1.531 121.165 119.914 -0.466 0.000 3.319 492 V HA 0.371 4.492 4.120 0.002 0.000 0.317 492 V C 0.921 176.896 176.094 -0.197 0.000 1.411 492 V CA -0.470 61.682 62.300 -0.245 0.000 1.112 492 V CB -0.602 31.124 31.823 -0.162 0.000 1.031 492 V HN 0.268 nan 8.190 nan 0.000 0.448 493 R N 1.162 121.512 120.500 -0.250 0.000 2.822 493 R HA 0.278 4.619 4.340 0.002 0.000 0.277 493 R C 0.221 176.451 176.300 -0.116 0.000 1.102 493 R CA -0.120 55.887 56.100 -0.155 0.000 1.207 493 R CB 0.195 30.402 30.300 -0.155 0.000 1.139 493 R HN 0.460 nan 8.270 nan 0.000 0.557 494 N N 0.630 119.285 118.700 -0.075 0.000 2.524 494 N HA 0.055 4.796 4.740 0.002 0.000 0.283 494 N C -1.830 173.645 175.510 -0.058 0.000 1.142 494 N CA -1.401 51.615 53.050 -0.056 0.000 0.984 494 N CB 1.369 39.836 38.487 -0.033 0.000 1.155 494 N HN 0.265 nan 8.380 nan 0.000 0.467 495 P HA -0.126 nan 4.420 nan 0.000 0.216 495 P C 1.142 178.419 177.300 -0.037 0.000 1.150 495 P CA 1.113 64.185 63.100 -0.046 0.000 0.843 495 P CB 0.074 31.753 31.700 -0.036 0.000 0.787 496 G N -0.273 108.511 108.800 -0.027 0.000 2.470 496 G HA2 -0.229 3.732 3.960 0.002 0.000 0.220 496 G HA3 -0.229 3.732 3.960 0.002 0.000 0.220 496 G C 1.329 176.218 174.900 -0.019 0.000 1.121 496 G CA 0.434 45.523 45.100 -0.018 0.000 0.766 496 G HN 0.320 nan 8.290 nan 0.000 0.553 497 E N 0.173 120.356 120.200 -0.028 0.000 2.208 497 E HA 0.024 4.375 4.350 0.002 0.000 0.193 497 E C 2.359 178.926 176.600 -0.056 0.000 0.988 497 E CA 0.113 56.495 56.400 -0.030 0.000 0.828 497 E CB -0.127 29.553 29.700 -0.034 0.000 0.763 497 E HN 0.363 nan 8.360 nan 0.000 0.478 498 L N 1.412 122.593 121.223 -0.070 0.000 2.261 498 L HA -0.222 4.119 4.340 0.002 0.000 0.216 498 L C 2.704 179.539 176.870 -0.058 0.000 1.114 498 L CA 1.271 56.062 54.840 -0.081 0.000 0.777 498 L CB -0.901 41.120 42.059 -0.065 0.000 0.910 498 L HN 0.294 nan 8.230 nan 0.000 0.440 499 Q N 1.540 121.320 119.800 -0.033 0.000 2.224 499 Q HA -0.196 4.145 4.340 0.002 0.000 0.203 499 Q C 0.966 176.965 176.000 -0.001 0.000 0.970 499 Q CA 1.670 57.465 55.803 -0.014 0.000 0.865 499 Q CB -0.123 28.611 28.738 -0.006 0.000 0.922 499 Q HN 0.632 nan 8.270 nan 0.000 0.445 500 N N 0.029 118.730 118.700 0.002 0.000 2.314 500 N HA 0.245 4.986 4.740 0.002 0.000 0.200 500 N C -0.383 175.164 175.510 0.062 0.000 1.135 500 N CA 0.206 53.279 53.050 0.039 0.000 0.835 500 N CB 0.983 39.509 38.487 0.064 0.000 0.989 500 N HN 0.350 nan 8.380 nan 0.000 0.478 501 G N -0.927 107.867 108.800 -0.009 0.000 2.742 501 G HA2 0.302 4.263 3.960 0.002 0.000 0.686 501 G HA3 0.302 4.263 3.960 0.002 0.000 0.686 501 G C -0.531 174.137 174.900 -0.387 0.000 1.220 501 G CA -0.729 44.358 45.100 -0.022 0.000 0.783 501 G HN 0.364 nan 8.290 nan 0.000 0.646 502 G N -0.741 107.890 108.800 -0.282 0.000 2.782 502 G HA2 0.817 4.778 3.960 0.002 0.000 0.304 502 G HA3 0.817 4.778 3.960 0.002 0.000 0.304 502 G C -1.159 173.640 174.900 -0.168 0.000 1.315 502 G CA -0.878 44.025 45.100 -0.329 0.000 0.791 502 G HN 1.133 nan 8.290 nan 0.000 0.519 503 L N 0.993 122.125 121.223 -0.151 0.000 2.325 503 L HA 0.447 4.788 4.340 0.002 0.000 0.281 503 L C 0.199 177.036 176.870 -0.056 0.000 1.004 503 L CA -0.661 54.047 54.840 -0.219 0.000 0.823 503 L CB 2.006 43.717 42.059 -0.579 0.000 1.236 503 L HN 0.681 nan 8.230 nan 0.000 0.415 504 E N 2.309 122.492 120.200 -0.029 0.000 2.376 504 E HA 0.221 4.572 4.350 0.002 0.000 0.266 504 E C 1.009 177.614 176.600 0.009 0.000 1.009 504 E CA 0.921 57.322 56.400 0.002 0.000 0.902 504 E CB 0.631 30.338 29.700 0.011 0.000 0.972 504 E HN 0.831 nan 8.360 nan 0.000 0.439 505 G N 2.600 111.412 108.800 0.019 0.000 2.175 505 G HA2 -0.302 3.659 3.960 0.002 0.000 0.244 505 G HA3 -0.302 3.659 3.960 0.002 0.000 0.244 505 G C 0.287 175.211 174.900 0.041 0.000 0.982 505 G CA 0.017 45.132 45.100 0.025 0.000 0.641 505 G HN 0.879 nan 8.290 nan 0.000 0.527 506 A N 0.089 122.949 122.820 0.068 0.000 2.511 506 A HA 0.566 4.887 4.320 0.002 0.000 0.242 506 A C 0.850 178.457 177.584 0.039 0.000 1.069 506 A CA 0.605 52.703 52.037 0.101 0.000 0.763 506 A CB 0.609 19.730 19.000 0.201 0.000 1.001 506 A HN 1.206 nan 8.150 nan 0.000 0.498 507 V N 3.600 123.526 119.914 0.020 0.000 2.583 507 V HA 0.110 4.231 4.120 0.002 0.000 0.287 507 V C 0.775 176.838 176.094 -0.051 0.000 1.051 507 V CA -0.291 61.999 62.300 -0.016 0.000 1.010 507 V CB 1.052 32.862 31.823 -0.022 0.000 0.988 507 V HN 0.946 nan 8.190 nan 0.000 0.478 508 N N 4.997 123.657 118.700 -0.066 0.000 2.476 508 N HA 0.497 5.238 4.740 0.002 0.000 0.257 508 N C -1.219 174.235 175.510 -0.094 0.000 0.970 508 N CA -0.536 52.453 53.050 -0.101 0.000 0.938 508 N CB 0.765 39.198 38.487 -0.089 0.000 1.144 508 N HN 0.604 nan 8.380 nan 0.000 0.500 509 I N 4.416 124.919 120.570 -0.110 0.000 2.411 509 I HA 0.348 4.519 4.170 0.002 0.000 0.284 509 I C -2.335 173.720 176.117 -0.102 0.000 1.012 509 I CA -2.288 58.954 61.300 -0.096 0.000 1.119 509 I CB 1.965 39.908 38.000 -0.094 0.000 1.261 509 I HN 0.303 nan 8.210 nan 0.000 0.448 510 P HA -0.018 nan 4.420 nan 0.000 0.268 510 P C 1.183 178.443 177.300 -0.067 0.000 1.205 510 P CA -0.211 62.842 63.100 -0.079 0.000 0.771 510 P CB 0.751 32.416 31.700 -0.058 0.000 0.858 511 V N 0.018 119.894 119.914 -0.063 0.000 2.594 511 V HA -0.186 3.935 4.120 0.002 0.000 0.253 511 V C 1.067 177.139 176.094 -0.036 0.000 1.069 511 V CA 1.799 64.069 62.300 -0.051 0.000 1.082 511 V CB -1.124 30.678 31.823 -0.035 0.000 0.680 511 V HN 0.388 nan 8.190 nan 0.000 0.469 512 D N 0.460 120.842 120.400 -0.030 0.000 2.349 512 D HA 0.030 4.671 4.640 0.002 0.000 0.224 512 D C 1.655 177.943 176.300 -0.019 0.000 1.029 512 D CA 0.644 54.632 54.000 -0.020 0.000 0.879 512 D CB 0.183 40.974 40.800 -0.014 0.000 0.906 512 D HN 0.699 nan 8.370 nan 0.000 0.528 513 E N -0.394 119.790 120.200 -0.026 0.000 2.562 513 E HA 0.076 4.427 4.350 0.002 0.000 0.214 513 E C 1.507 178.092 176.600 -0.024 0.000 0.979 513 E CA -0.172 56.216 56.400 -0.021 0.000 1.002 513 E CB 0.592 30.278 29.700 -0.024 0.000 1.048 513 E HN 0.017 nan 8.360 nan 0.000 0.488 514 L N 1.644 122.845 121.223 -0.036 0.000 2.141 514 L HA -0.058 4.283 4.340 0.002 0.000 0.209 514 L C 2.365 179.216 176.870 -0.033 0.000 1.094 514 L CA 1.632 56.443 54.840 -0.049 0.000 0.763 514 L CB -0.095 41.922 42.059 -0.071 0.000 0.908 514 L HN -0.037 nan 8.230 nan 0.000 0.437 515 R N -0.683 119.807 120.500 -0.017 0.000 2.092 515 R HA -0.135 4.206 4.340 0.002 0.000 0.231 515 R C 1.393 177.708 176.300 0.025 0.000 1.119 515 R CA 1.701 57.800 56.100 -0.002 0.000 0.970 515 R CB -0.242 30.058 30.300 -0.001 0.000 0.864 515 R HN 0.402 nan 8.270 nan 0.000 0.440 516 D N -0.085 120.331 120.400 0.027 0.000 2.317 516 D HA -0.005 4.636 4.640 0.002 0.000 0.211 516 D C 0.473 176.842 176.300 0.116 0.000 0.966 516 D CA 0.732 54.765 54.000 0.056 0.000 0.876 516 D CB 0.235 41.058 40.800 0.038 0.000 0.927 516 D HN 0.231 nan 8.370 nan 0.000 0.519 520 E N 1.905 121.813 120.200 -0.487 0.000 2.331 520 E HA -0.016 4.335 4.350 0.002 0.000 0.199 520 E C -0.153 176.394 176.600 -0.088 0.000 1.008 520 E CA 0.865 57.089 56.400 -0.293 0.000 0.843 520 E CB 0.295 29.823 29.700 -0.287 0.000 0.761 520 E HN 0.465 nan 8.360 nan 0.000 0.507 521 L N 2.621 123.841 121.223 -0.005 0.000 2.287 521 L HA 0.338 4.679 4.340 0.002 0.000 0.287 521 L C -2.157 174.844 176.870 0.218 0.000 1.022 521 L CA -2.281 52.602 54.840 0.072 0.000 0.814 521 L CB 1.135 43.184 42.059 -0.017 0.000 1.217 521 L HN -0.176 nan 8.230 nan 0.000 0.420 522 P HA 0.103 nan 4.420 nan 0.000 0.279 522 P C -0.349 177.040 177.300 0.148 0.000 1.239 522 P CA -0.551 62.624 63.100 0.125 0.000 0.789 522 P CB 1.744 33.483 31.700 0.066 0.000 0.933 523 K N 1.981 122.350 120.400 -0.052 0.000 2.418 523 K HA -0.044 4.277 4.320 0.002 0.000 0.195 523 K C 1.193 177.713 176.600 -0.134 0.000 1.035 523 K CA 0.703 56.800 56.287 -0.317 0.000 1.003 523 K CB -0.013 32.094 32.500 -0.655 0.000 0.793 523 K HN 0.429 nan 8.250 nan 0.000 0.494 524 D N -0.081 120.291 120.400 -0.047 0.000 2.349 524 D HA -0.060 4.581 4.640 0.002 0.000 0.224 524 D C -0.319 175.992 176.300 0.019 0.000 1.029 524 D CA 0.298 54.287 54.000 -0.019 0.000 0.879 524 D CB 0.304 41.095 40.800 -0.014 0.000 0.906 524 D HN 0.069 nan 8.370 nan 0.000 0.528 525 K N 1.248 121.680 120.400 0.054 0.000 2.203 525 K HA 0.198 4.519 4.320 0.002 0.000 0.251 525 K C -0.060 176.600 176.600 0.099 0.000 0.944 525 K CA -0.789 55.539 56.287 0.069 0.000 0.829 525 K CB 2.159 34.701 32.500 0.070 0.000 1.125 525 K HN 0.100 nan 8.250 nan 0.000 0.430 526 E N 3.396 123.646 120.200 0.083 0.000 2.324 526 E HA 0.069 4.420 4.350 0.002 0.000 0.271 526 E C -0.432 176.226 176.600 0.096 0.000 1.028 526 E CA -0.409 56.050 56.400 0.098 0.000 0.890 526 E CB 0.443 30.195 29.700 0.085 0.000 1.004 526 E HN 0.271 nan 8.360 nan 0.000 0.431 527 I N 5.101 125.732 120.570 0.102 0.000 2.322 527 I HA 0.125 4.296 4.170 0.002 0.000 0.292 527 I C -0.070 176.099 176.117 0.087 0.000 1.060 527 I CA -0.773 60.568 61.300 0.069 0.000 1.309 527 I CB 0.165 38.166 38.000 0.002 0.000 1.415 527 I HN 0.625 nan 8.210 nan 0.000 0.492 528 I N 8.036 128.661 120.570 0.092 0.000 2.301 528 I HA 0.331 4.502 4.170 0.002 0.000 0.292 528 I C 0.457 176.661 176.117 0.146 0.000 1.046 528 I CA -0.499 60.870 61.300 0.116 0.000 1.282 528 I CB 0.518 38.578 38.000 0.102 0.000 1.409 528 I HN 0.331 nan 8.210 nan 0.000 0.484 529 I N 7.640 128.305 120.570 0.158 0.000 2.437 529 I HA 0.456 4.627 4.170 0.002 0.000 0.298 529 I C -0.357 175.911 176.117 0.252 0.000 0.984 529 I CA -0.714 60.675 61.300 0.148 0.000 1.214 529 I CB 1.417 39.483 38.000 0.110 0.000 1.365 529 I HN 0.453 nan 8.210 nan 0.000 0.469 530 F N 3.434 123.406 119.950 0.035 0.000 2.591 530 F HA 0.808 5.336 4.527 0.002 0.000 0.309 530 F C -0.408 175.420 175.800 0.046 0.000 1.098 530 F CA -0.500 57.532 58.000 0.053 0.000 0.937 530 F CB 1.426 40.458 39.000 0.053 0.000 1.250 530 F HN 0.480 nan 8.300 nan 0.000 0.447 531 S N 1.708 117.473 115.700 0.107 0.000 2.874 531 S HA 0.364 4.835 4.470 0.002 0.000 0.318 531 S C 0.544 175.263 174.600 0.199 0.000 1.109 531 S CA -0.230 57.975 58.200 0.008 0.000 0.878 531 S CB 1.443 64.656 63.200 0.022 0.000 1.307 531 S HN 0.823 nan 8.310 nan 0.000 0.592 532 Q N -0.381 119.511 119.800 0.153 0.000 2.079 532 Q HA 0.134 4.475 4.340 0.002 0.000 0.200 532 Q C 1.171 177.311 176.000 0.233 0.000 0.974 532 Q CA 2.025 57.958 55.803 0.217 0.000 0.840 532 Q CB -0.366 28.461 28.738 0.147 0.000 0.898 532 Q HN 0.569 nan 8.270 nan 0.000 0.430 533 V N -2.263 117.782 119.914 0.219 0.000 3.382 533 V HA 0.364 4.485 4.120 0.002 0.000 0.296 533 V C 0.759 177.039 176.094 0.309 0.000 1.529 533 V CA 0.609 63.075 62.300 0.277 0.000 1.048 533 V CB 1.201 33.155 31.823 0.219 0.000 0.878 533 V HN 0.486 nan 8.190 nan 0.000 0.442 534 G N 0.402 109.346 108.800 0.241 0.000 2.238 534 G HA2 -0.254 3.707 3.960 0.002 0.000 0.217 534 G HA3 -0.254 3.707 3.960 0.002 0.000 0.217 534 G C 0.626 175.619 174.900 0.154 0.000 0.996 534 G CA 0.480 45.709 45.100 0.215 0.000 0.632 534 G HN 0.338 nan 8.290 nan 0.000 0.503 535 L N 1.152 122.459 121.223 0.141 0.000 2.007 535 L HA 0.390 4.731 4.340 0.002 0.000 0.205 535 L C 2.699 179.615 176.870 0.077 0.000 1.073 535 L CA 2.763 57.665 54.840 0.104 0.000 0.744 535 L CB -0.853 41.266 42.059 0.100 0.000 0.898 535 L HN 0.310 nan 8.230 nan 0.000 0.435 536 R N -0.346 120.193 120.500 0.064 0.000 2.127 536 R HA -0.118 4.223 4.340 0.002 0.000 0.238 536 R C 2.183 178.505 176.300 0.037 0.000 1.134 536 R CA 1.098 57.220 56.100 0.037 0.000 0.975 536 R CB -0.951 29.357 30.300 0.014 0.000 0.865 536 R HN 0.626 nan 8.270 nan 0.000 0.447 537 G N 0.820 109.654 108.800 0.057 0.000 2.440 537 G HA2 -0.369 3.592 3.960 0.002 0.000 0.218 537 G HA3 -0.369 3.592 3.960 0.002 0.000 0.218 537 G C 1.236 176.198 174.900 0.103 0.000 1.154 537 G CA 1.183 46.328 45.100 0.073 0.000 0.767 537 G HN 0.339 nan 8.290 nan 0.000 0.552 538 N N -0.225 118.533 118.700 0.096 0.000 2.216 538 N HA -0.079 4.662 4.740 0.002 0.000 0.183 538 N C 2.171 177.763 175.510 0.137 0.000 1.017 538 N CA 1.211 54.328 53.050 0.111 0.000 0.861 538 N CB -0.133 38.398 38.487 0.074 0.000 0.986 538 N HN 0.134 nan 8.380 nan 0.000 0.428 539 V N 0.776 120.739 119.914 0.083 0.000 2.287 539 V HA -0.226 3.895 4.120 0.002 0.000 0.248 539 V C 2.423 178.547 176.094 0.050 0.000 1.053 539 V CA 1.926 64.258 62.300 0.055 0.000 1.027 539 V CB -1.249 30.592 31.823 0.029 0.000 0.646 539 V HN 0.492 nan 8.190 nan 0.000 0.447 540 A N -0.714 122.133 122.820 0.046 0.000 1.865 540 A HA -0.313 4.008 4.320 0.002 0.000 0.217 540 A C 2.182 179.778 177.584 0.021 0.000 1.191 540 A CA 2.331 54.375 52.037 0.012 0.000 0.623 540 A CB -0.958 18.040 19.000 -0.003 0.000 0.826 540 A HN 0.674 nan 8.150 nan 0.000 0.444 541 Y N 0.599 120.886 120.300 -0.023 0.000 2.114 541 Y HA -0.289 4.262 4.550 0.002 0.000 0.282 541 Y C 2.510 178.407 175.900 -0.004 0.000 1.165 541 Y CA 2.345 60.439 58.100 -0.010 0.000 1.148 541 Y CB -0.120 38.350 38.460 0.017 0.000 0.972 541 Y HN 0.179 nan 8.280 nan 0.000 0.504 542 R N 0.531 121.080 120.500 0.082 0.000 2.081 542 R HA -0.167 4.174 4.340 0.002 0.000 0.235 542 R C 2.200 178.453 176.300 -0.080 0.000 1.131 542 R CA 1.831 57.925 56.100 -0.011 0.000 0.960 542 R CB -0.964 29.384 30.300 0.080 0.000 0.856 542 R HN 0.596 nan 8.270 nan 0.000 0.436 543 Q N 0.390 120.156 119.800 -0.057 0.000 2.096 543 Q HA -0.102 4.239 4.340 0.002 0.000 0.204 543 Q C 2.310 178.253 176.000 -0.095 0.000 0.982 543 Q CA 1.310 57.075 55.803 -0.063 0.000 0.850 543 Q CB -0.173 28.530 28.738 -0.058 0.000 0.901 543 Q HN 0.311 nan 8.270 nan 0.000 0.422 544 L N -0.497 120.623 121.223 -0.172 0.000 2.027 544 L HA -0.140 4.201 4.340 0.002 0.000 0.206 544 L C 2.368 179.190 176.870 -0.081 0.000 1.074 544 L CA 0.634 55.349 54.840 -0.208 0.000 0.745 544 L CB -0.463 41.374 42.059 -0.371 0.000 0.898 544 L HN 0.069 nan 8.230 nan 0.000 0.433 545 V N 0.353 120.117 119.914 -0.249 0.000 2.515 545 V HA -0.218 3.903 4.120 0.002 0.000 0.250 545 V C 2.122 178.167 176.094 -0.081 0.000 1.058 545 V CA 1.514 63.683 62.300 -0.218 0.000 1.064 545 V CB -0.565 30.927 31.823 -0.552 0.000 0.675 545 V HN 0.480 nan 8.190 nan 0.000 0.461 546 N N 0.603 119.263 118.700 -0.066 0.000 2.381 546 N HA -0.070 4.671 4.740 0.002 0.000 0.182 546 N C 1.287 176.806 175.510 0.015 0.000 1.025 546 N CA 0.808 53.847 53.050 -0.018 0.000 0.888 546 N CB -0.317 38.161 38.487 -0.016 0.000 0.965 546 N HN 0.488 nan 8.380 nan 0.000 0.438 547 N N -0.003 118.730 118.700 0.056 0.000 2.268 547 N HA 0.088 4.829 4.740 0.002 0.000 0.204 547 N C 0.653 176.227 175.510 0.106 0.000 1.124 547 N CA 0.357 53.472 53.050 0.108 0.000 0.838 547 N CB 0.790 39.388 38.487 0.185 0.000 0.994 547 N HN 0.236 nan 8.380 nan 0.000 0.489 548 G N 0.513 109.353 108.800 0.067 0.000 2.141 548 G HA2 -0.284 3.677 3.960 0.002 0.000 0.242 548 G HA3 -0.284 3.677 3.960 0.002 0.000 0.242 548 G C -0.252 174.639 174.900 -0.016 0.000 0.982 548 G CA -0.125 44.975 45.100 -0.000 0.000 0.662 548 G HN 0.312 nan 8.290 nan 0.000 0.527 549 Y N 0.234 120.499 120.300 -0.058 0.000 2.298 549 Y HA 0.609 5.160 4.550 0.002 0.000 0.329 549 Y C 1.493 177.357 175.900 -0.060 0.000 1.293 549 Y CA -0.324 57.745 58.100 -0.052 0.000 1.388 549 Y CB 0.593 39.019 38.460 -0.057 0.000 1.309 549 Y HN 0.130 nan 8.280 nan 0.000 0.544 550 R N 1.221 121.812 120.500 0.151 0.000 2.368 550 R HA 0.793 5.134 4.340 0.002 0.000 0.302 550 R C -0.942 175.426 176.300 0.113 0.000 1.002 550 R CA -0.612 55.546 56.100 0.097 0.000 0.929 550 R CB 1.166 31.514 30.300 0.079 0.000 1.073 550 R HN 0.735 nan 8.270 nan 0.000 0.464 551 A N 2.827 125.714 122.820 0.112 0.000 2.609 551 A HA 0.693 5.014 4.320 0.002 0.000 0.291 551 A C -1.139 176.656 177.584 0.351 0.000 1.096 551 A CA -0.890 51.246 52.037 0.165 0.000 0.684 551 A CB 1.781 20.802 19.000 0.034 0.000 1.282 551 A HN 0.692 nan 8.150 nan 0.000 0.412 552 R N 0.207 120.886 120.500 0.299 0.000 2.725 552 R HA 0.498 4.839 4.340 0.002 0.000 0.277 552 R C -1.359 175.034 176.300 0.155 0.000 0.987 552 R CA -0.869 55.351 56.100 0.200 0.000 0.901 552 R CB 2.213 32.572 30.300 0.098 0.000 1.207 552 R HN 0.761 nan 8.270 nan 0.000 0.463 553 N N 1.449 120.147 118.700 -0.002 0.000 2.362 553 N HA 0.228 4.969 4.740 0.002 0.000 0.298 553 N C -1.361 174.175 175.510 0.044 0.000 1.048 553 N CA -0.743 52.328 53.050 0.035 0.000 0.858 553 N CB 1.205 39.655 38.487 -0.062 0.000 1.218 553 N HN 0.404 nan 8.380 nan 0.000 0.488 554 L N 4.808 126.112 121.223 0.135 0.000 2.456 554 L HA 0.358 4.699 4.340 0.002 0.000 0.277 554 L C -0.628 176.371 176.870 0.215 0.000 1.124 554 L CA -0.084 54.857 54.840 0.168 0.000 0.880 554 L CB -0.302 41.901 42.059 0.241 0.000 1.192 554 L HN 0.449 nan 8.230 nan 0.000 0.463 555 I N 6.143 126.843 120.570 0.216 0.000 2.496 555 I HA 0.219 4.390 4.170 0.002 0.000 0.285 555 I C 1.552 177.973 176.117 0.507 0.000 1.080 555 I CA 0.557 62.059 61.300 0.337 0.000 1.404 555 I CB 0.034 38.243 38.000 0.349 0.000 1.403 555 I HN 0.884 nan 8.210 nan 0.000 0.539 556 G N 4.414 113.498 108.800 0.473 0.000 2.189 556 G HA2 -0.144 3.817 3.960 0.002 0.000 0.267 556 G HA3 -0.144 3.817 3.960 0.002 0.000 0.267 556 G C 0.823 175.979 174.900 0.427 0.000 0.975 556 G CA 0.654 46.052 45.100 0.496 0.000 0.644 556 G HN 1.575 nan 8.290 nan 0.000 0.537 557 G N -1.234 107.781 108.800 0.359 0.000 2.645 557 G HA2 -0.086 3.875 3.960 0.002 0.000 0.246 557 G HA3 -0.086 3.875 3.960 0.002 0.000 0.246 557 G C 0.426 175.537 174.900 0.352 0.000 1.322 557 G CA 0.745 46.058 45.100 0.355 0.000 0.898 557 G HN 1.531 nan 8.290 nan 0.000 0.573 558 Y N 1.263 121.717 120.300 0.256 0.000 2.293 558 Y HA -0.016 4.535 4.550 0.002 0.000 0.291 558 Y C 3.037 179.042 175.900 0.175 0.000 1.137 558 Y CA 2.434 60.642 58.100 0.180 0.000 1.202 558 Y CB -0.228 38.360 38.460 0.213 0.000 0.990 558 Y HN 0.615 nan 8.280 nan 0.000 0.537 559 R N -0.800 119.771 120.500 0.119 0.000 2.083 559 R HA -0.158 4.183 4.340 0.002 0.000 0.237 559 R C 2.039 178.353 176.300 0.023 0.000 1.137 559 R CA 2.082 58.187 56.100 0.009 0.000 0.951 559 R CB -0.519 29.684 30.300 -0.162 0.000 0.851 559 R HN 0.265 nan 8.270 nan 0.000 0.434 560 T N 0.043 114.626 114.554 0.048 0.000 2.737 560 T HA -0.181 4.170 4.350 0.002 0.000 0.265 560 T C 1.310 175.853 174.700 -0.261 0.000 1.038 560 T CA 1.477 63.541 62.100 -0.061 0.000 1.144 560 T CB -0.449 68.340 68.868 -0.132 0.000 0.866 560 T HN 0.389 nan 8.240 nan 0.000 0.434 561 Y N 2.031 122.189 120.300 -0.236 0.000 2.069 561 Y HA -0.274 4.277 4.550 0.002 0.000 0.278 561 Y C 2.548 178.192 175.900 -0.426 0.000 1.175 561 Y CA 2.045 59.994 58.100 -0.252 0.000 1.134 561 Y CB -0.137 38.239 38.460 -0.139 0.000 0.965 561 Y HN 0.017 nan 8.280 nan 0.000 0.498 562 K N -0.717 119.421 120.400 -0.436 0.000 2.103 562 K HA -0.201 4.120 4.320 0.002 0.000 0.207 562 K C 1.582 177.751 176.600 -0.719 0.000 1.048 562 K CA 1.837 57.735 56.287 -0.648 0.000 0.930 562 K CB -0.424 31.595 32.500 -0.801 0.000 0.716 562 K HN 0.380 nan 8.250 nan 0.000 0.444 563 F N -0.156 119.460 119.950 -0.557 0.000 2.789 563 F HA 0.147 4.675 4.527 0.002 0.000 0.300 563 F C 1.877 177.311 175.800 -0.609 0.000 1.132 563 F CA 0.317 57.916 58.000 -0.668 0.000 1.404 563 F CB 0.224 38.505 39.000 -1.198 0.000 1.114 563 F HN 0.042 nan 8.300 nan 0.000 0.584 564 A N -0.679 121.827 122.820 -0.523 0.000 2.206 564 A HA 0.116 4.437 4.320 0.002 0.000 0.211 564 A C 1.189 178.562 177.584 -0.352 0.000 1.158 564 A CA 0.744 52.453 52.037 -0.545 0.000 0.761 564 A CB -0.579 17.861 19.000 -0.933 0.000 0.801 564 A HN 0.248 nan 8.150 nan 0.000 0.473 565 S N 0.000 115.481 115.700 -0.365 0.000 2.498 565 S HA 0.000 4.471 4.470 0.002 0.000 0.327 565 S CA 0.000 58.055 58.200 -0.242 0.000 1.107 565 S CB 0.000 63.048 63.200 -0.253 0.000 0.593 565 S HN 0.000 nan 8.310 nan 0.000 0.517