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 1q6d_1_A DATA FIRST_RESID 6 DATA SEQUENCE NMLLNYVPVY VMLPLGVVNV DNVFEDPDGL KEQLLQLRAA GVDGVTVDVW DATA SEQUENCE WGIIELKGPK QYDWRAYRSL LQLVQECGLT LQAIMSFHQC GGNVGDIVNI DATA SEQUENCE PIPQWVLDIG ESNHDIFYTN RSGTRNKEYL TVGVDNEPIF HGRTAIEIYS DATA SEQUENCE DYMKSFRENM SDFLESGLII DIEVGLGPAG ELRYPSYPQS QGWEFPGIGE DATA SEQUENCE FQCYDKYLKA DFKAAVARAG HPEWELPDDA GKYNDVPEST GFFKSNGTYV DATA SEQUENCE TEKGKFFLTW YSNKLLNHGD QILDEANKAF LGCKVKLAIK VSGIHWWYKV DATA SEQUENCE ENHAAELTAG YYNLNDRDGY RPIARMLSRH HAILNFTCLE MRDSEQPSDA DATA SEQUENCE KSGPQELVQQ VLSGGWREDI RVAGENALPR YDATAYNQII LNARPQGVNN DATA SEQUENCE NGPPKLSMFG VTYLRLSDDL LQKSNFNIFK KFVLKMHADQ DYCANPQKYN DATA SEQUENCE HAITPLKPSA PKIPIEVLLE ATKPTLPFPW LPETDMKVDG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 6 N HA 0.000 nan 4.740 nan 0.000 0.220 6 N C 0.000 175.496 175.510 -0.023 0.000 1.280 6 N CA 0.000 53.035 53.050 -0.024 0.000 0.885 6 N CB 0.000 38.471 38.487 -0.027 0.000 1.341 7 M N 1.958 121.544 119.600 -0.024 0.000 2.192 7 M HA -0.156 4.324 4.480 0.001 0.000 0.259 7 M C 1.767 178.059 176.300 -0.014 0.000 1.071 7 M CA 1.231 56.517 55.300 -0.023 0.000 1.082 7 M CB -0.719 31.866 32.600 -0.025 0.000 1.373 7 M HN 0.599 nan 8.290 nan 0.000 0.408 8 L N 0.161 121.376 121.223 -0.014 0.000 2.261 8 L HA -0.155 4.186 4.340 0.001 0.000 0.216 8 L C 1.852 178.729 176.870 0.011 0.000 1.114 8 L CA 1.227 56.060 54.840 -0.011 0.000 0.777 8 L CB -0.755 41.274 42.059 -0.050 0.000 0.910 8 L HN 0.178 nan 8.230 nan 0.000 0.440 9 L N -0.722 120.508 121.223 0.011 0.000 2.551 9 L HA -0.047 4.293 4.340 0.001 0.000 0.228 9 L C 1.798 178.681 176.870 0.022 0.000 1.153 9 L CA 1.056 55.914 54.840 0.030 0.000 0.851 9 L CB -0.952 41.114 42.059 0.011 0.000 0.959 9 L HN 0.391 nan 8.230 nan 0.000 0.451 10 N N -1.958 116.741 118.700 -0.002 0.000 2.280 10 N HA -0.060 4.681 4.740 0.001 0.000 0.192 10 N C -0.036 175.446 175.510 -0.048 0.000 1.109 10 N CA -0.067 52.964 53.050 -0.031 0.000 0.855 10 N CB 0.431 38.886 38.487 -0.052 0.000 0.974 10 N HN 0.192 nan 8.380 nan 0.000 0.482 11 Y N 2.038 122.194 120.300 -0.242 0.000 2.544 11 Y HA 0.073 4.624 4.550 0.001 0.000 0.330 11 Y C -0.195 175.396 175.900 -0.515 0.000 1.136 11 Y CA 0.060 57.902 58.100 -0.429 0.000 1.417 11 Y CB 0.471 38.527 38.460 -0.672 0.000 1.229 11 Y HN -0.290 nan 8.280 nan 0.000 0.532 12 V N 9.670 129.354 119.914 -0.385 0.000 2.409 12 V HA 0.338 4.459 4.120 0.001 0.000 0.291 12 V C -2.116 173.741 176.094 -0.395 0.000 1.020 12 V CA -2.052 60.074 62.300 -0.291 0.000 0.848 12 V CB 1.490 33.220 31.823 -0.156 0.000 0.990 12 V HN 0.711 nan 8.190 nan 0.000 0.430 13 P HA 0.213 nan 4.420 nan 0.000 0.271 13 P C -0.846 176.233 177.300 -0.369 0.000 1.218 13 P CA 0.011 62.931 63.100 -0.301 0.000 0.780 13 P CB 1.486 33.062 31.700 -0.206 0.000 0.901 14 V N 3.776 123.418 119.914 -0.453 0.000 2.495 14 V HA 0.370 4.491 4.120 0.001 0.000 0.298 14 V C -0.493 175.332 176.094 -0.449 0.000 1.031 14 V CA -0.393 61.685 62.300 -0.370 0.000 0.871 14 V CB 0.982 32.560 31.823 -0.409 0.000 0.988 14 V HN 0.427 nan 8.190 nan 0.000 0.432 15 Y N 2.424 122.833 120.300 0.182 0.000 2.524 15 Y HA 0.753 5.303 4.550 0.001 0.000 0.344 15 Y C -0.113 175.952 175.900 0.274 0.000 1.012 15 Y CA -1.115 57.106 58.100 0.201 0.000 1.068 15 Y CB 2.180 40.741 38.460 0.167 0.000 1.249 15 Y HN 0.327 nan 8.280 nan 0.000 0.468 16 V N 3.626 123.780 119.914 0.401 0.000 2.487 16 V HA 0.352 4.473 4.120 0.001 0.000 0.298 16 V C -0.188 176.066 176.094 0.266 0.000 1.028 16 V CA -1.067 61.457 62.300 0.373 0.000 0.860 16 V CB 1.603 33.625 31.823 0.330 0.000 0.991 16 V HN 0.757 nan 8.190 nan 0.000 0.427 17 M N 4.893 124.628 119.600 0.225 0.000 2.228 17 M HA 0.343 4.823 4.480 0.001 0.000 0.351 17 M C -0.287 176.092 176.300 0.133 0.000 1.233 17 M CA 0.179 55.566 55.300 0.145 0.000 1.129 17 M CB 0.485 33.143 32.600 0.097 0.000 1.604 17 M HN 0.439 nan 8.290 nan 0.000 0.457 18 L N 3.812 125.103 121.223 0.114 0.000 2.466 18 L HA 0.348 4.689 4.340 0.001 0.000 0.257 18 L C -2.015 174.922 176.870 0.112 0.000 1.189 18 L CA -2.022 52.882 54.840 0.107 0.000 0.813 18 L CB 0.102 42.216 42.059 0.092 0.000 1.118 18 L HN 0.355 nan 8.230 nan 0.000 0.471 19 P HA 0.040 nan 4.420 nan 0.000 0.268 19 P C -0.704 176.680 177.300 0.139 0.000 1.208 19 P CA -0.109 63.055 63.100 0.107 0.000 0.777 19 P CB 0.386 32.141 31.700 0.091 0.000 0.875 20 L N 1.994 123.304 121.223 0.146 0.000 2.410 20 L HA 0.285 4.626 4.340 0.001 0.000 0.273 20 L C 1.546 178.510 176.870 0.156 0.000 1.152 20 L CA 0.578 55.539 54.840 0.202 0.000 0.855 20 L CB -0.556 41.606 42.059 0.171 0.000 1.129 20 L HN 0.785 nan 8.230 nan 0.000 0.463 21 G N 2.025 110.949 108.800 0.207 0.000 2.137 21 G HA2 -0.252 3.708 3.960 0.001 0.000 0.237 21 G HA3 -0.252 3.708 3.960 0.001 0.000 0.237 21 G C 0.622 175.591 174.900 0.115 0.000 1.002 21 G CA 0.177 45.346 45.100 0.116 0.000 0.702 21 G HN 0.565 nan 8.290 nan 0.000 0.515 22 V N -1.536 118.457 119.914 0.131 0.000 2.453 22 V HA 0.031 4.152 4.120 0.001 0.000 0.252 22 V C 1.717 177.874 176.094 0.105 0.000 1.068 22 V CA 1.822 64.191 62.300 0.115 0.000 1.070 22 V CB -1.101 30.752 31.823 0.050 0.000 0.664 22 V HN 1.670 nan 8.190 nan 0.000 0.461 23 V N 0.951 120.869 119.914 0.007 0.000 2.384 23 V HA 0.689 4.809 4.120 0.001 0.000 0.287 23 V C -0.180 175.948 176.094 0.056 0.000 1.020 23 V CA -1.058 61.227 62.300 -0.025 0.000 0.850 23 V CB 0.931 32.559 31.823 -0.326 0.000 0.987 23 V HN 0.599 nan 8.190 nan 0.000 0.436 24 N N 3.891 122.626 118.700 0.059 0.000 2.327 24 N HA 0.152 4.893 4.740 0.001 0.000 0.257 24 N C 0.903 176.426 175.510 0.022 0.000 1.281 24 N CA 0.099 53.167 53.050 0.030 0.000 0.942 24 N CB 1.002 39.502 38.487 0.023 0.000 1.199 24 N HN 0.464 nan 8.380 nan 0.000 0.532 25 V N -0.722 119.179 119.914 -0.022 0.000 2.828 25 V HA -0.157 3.964 4.120 0.001 0.000 0.260 25 V C 0.306 176.402 176.094 0.003 0.000 1.101 25 V CA 1.791 64.071 62.300 -0.034 0.000 1.123 25 V CB -0.812 30.968 31.823 -0.072 0.000 0.704 25 V HN 0.590 nan 8.190 nan 0.000 0.493 26 D N 0.435 120.846 120.400 0.018 0.000 2.342 26 D HA 0.074 4.714 4.640 0.001 0.000 0.221 26 D C 0.683 177.014 176.300 0.052 0.000 1.101 26 D CA 0.080 54.097 54.000 0.028 0.000 0.837 26 D CB -0.211 40.602 40.800 0.022 0.000 0.938 26 D HN 0.486 nan 8.370 nan 0.000 0.508 27 N N 0.585 119.329 118.700 0.073 0.000 2.727 27 N HA -0.175 4.566 4.740 0.001 0.000 0.251 27 N C -1.425 174.140 175.510 0.092 0.000 1.040 27 N CA 0.247 53.359 53.050 0.103 0.000 0.712 27 N CB -1.213 37.340 38.487 0.111 0.000 0.912 27 N HN -0.030 nan 8.380 nan 0.000 0.545 28 V N 2.114 122.078 119.914 0.084 0.000 2.531 28 V HA 0.372 4.493 4.120 0.001 0.000 0.301 28 V C 0.057 176.244 176.094 0.155 0.000 1.034 28 V CA -0.951 61.410 62.300 0.101 0.000 0.865 28 V CB 1.548 33.413 31.823 0.070 0.000 0.995 28 V HN 0.205 nan 8.190 nan 0.000 0.424 29 F N 4.485 124.418 119.950 -0.028 0.000 2.566 29 F HA 0.328 4.855 4.527 0.001 0.000 0.349 29 F C 1.379 177.166 175.800 -0.022 0.000 1.245 29 F CA -0.599 57.373 58.000 -0.047 0.000 1.169 29 F CB -0.453 38.519 39.000 -0.047 0.000 1.470 29 F HN 0.760 nan 8.300 nan 0.000 0.634 30 E N 1.911 122.207 120.200 0.160 0.000 2.045 30 E HA -0.287 4.063 4.350 0.001 0.000 0.212 30 E C 0.123 176.641 176.600 -0.137 0.000 1.039 30 E CA 1.963 58.366 56.400 0.005 0.000 0.860 30 E CB -0.015 29.712 29.700 0.045 0.000 0.776 30 E HN 0.498 nan 8.360 nan 0.000 0.467 31 D N -0.951 119.346 120.400 -0.171 0.000 2.441 31 D HA 0.146 4.787 4.640 0.001 0.000 0.287 31 D C -2.195 173.892 176.300 -0.355 0.000 1.198 31 D CA -1.994 51.876 54.000 -0.217 0.000 0.894 31 D CB 1.111 41.862 40.800 -0.082 0.000 1.070 31 D HN -0.207 nan 8.370 nan 0.000 0.499 32 P HA -0.080 nan 4.420 nan 0.000 0.216 32 P C 0.828 178.001 177.300 -0.212 0.000 1.153 32 P CA 0.827 63.534 63.100 -0.655 0.000 0.848 32 P CB 0.358 31.645 31.700 -0.689 0.000 0.787 33 D N -0.696 119.603 120.400 -0.168 0.000 2.097 33 D HA -0.108 4.532 4.640 0.001 0.000 0.195 33 D C 2.240 178.508 176.300 -0.053 0.000 0.989 33 D CA 1.732 55.682 54.000 -0.084 0.000 0.827 33 D CB -0.955 39.800 40.800 -0.075 0.000 0.966 33 D HN 0.192 nan 8.370 nan 0.000 0.456 34 G N 1.488 110.252 108.800 -0.059 0.000 2.421 34 G HA2 -0.192 3.768 3.960 0.001 0.000 0.216 34 G HA3 -0.192 3.768 3.960 0.001 0.000 0.216 34 G C 1.706 176.604 174.900 -0.005 0.000 1.171 34 G CA 0.029 45.110 45.100 -0.032 0.000 0.775 34 G HN 0.195 nan 8.290 nan 0.000 0.543 35 L N 0.259 121.495 121.223 0.022 0.000 2.046 35 L HA -0.069 4.271 4.340 0.001 0.000 0.208 35 L C 2.876 179.785 176.870 0.065 0.000 1.077 35 L CA 2.019 56.907 54.840 0.080 0.000 0.747 35 L CB -0.366 41.814 42.059 0.202 0.000 0.896 35 L HN 0.300 nan 8.230 nan 0.000 0.432 36 K N 0.354 120.786 120.400 0.052 0.000 2.020 36 K HA -0.276 4.045 4.320 0.001 0.000 0.212 36 K C 1.929 178.542 176.600 0.022 0.000 1.050 36 K CA 2.257 58.570 56.287 0.044 0.000 0.929 36 K CB -0.175 32.342 32.500 0.028 0.000 0.714 36 K HN 0.586 nan 8.250 nan 0.000 0.443 37 E N 0.340 120.541 120.200 0.002 0.000 2.097 37 E HA -0.299 4.051 4.350 0.001 0.000 0.196 37 E C 1.997 178.583 176.600 -0.024 0.000 1.000 37 E CA 1.525 57.917 56.400 -0.013 0.000 0.804 37 E CB -0.316 29.368 29.700 -0.027 0.000 0.740 37 E HN 0.482 nan 8.360 nan 0.000 0.454 38 Q N 0.033 119.820 119.800 -0.023 0.000 2.046 38 Q HA -0.120 4.220 4.340 0.001 0.000 0.200 38 Q C 2.310 178.305 176.000 -0.008 0.000 0.975 38 Q CA 1.127 56.905 55.803 -0.042 0.000 0.836 38 Q CB -0.086 28.635 28.738 -0.028 0.000 0.896 38 Q HN 0.227 nan 8.270 nan 0.000 0.428 39 L N 0.607 121.847 121.223 0.028 0.000 2.042 39 L HA -0.194 4.146 4.340 0.001 0.000 0.210 39 L C 2.131 179.027 176.870 0.044 0.000 1.076 39 L CA 1.630 56.499 54.840 0.049 0.000 0.749 39 L CB -0.824 41.273 42.059 0.064 0.000 0.893 39 L HN 0.249 nan 8.230 nan 0.000 0.432 40 L N -1.454 119.788 121.223 0.032 0.000 2.131 40 L HA -0.251 4.089 4.340 0.001 0.000 0.210 40 L C 2.541 179.437 176.870 0.042 0.000 1.092 40 L CA 1.077 55.935 54.840 0.030 0.000 0.759 40 L CB -0.481 41.591 42.059 0.022 0.000 0.903 40 L HN 0.401 nan 8.230 nan 0.000 0.435 41 Q N -0.636 119.184 119.800 0.034 0.000 2.172 41 Q HA -0.175 4.166 4.340 0.001 0.000 0.200 41 Q C 2.249 178.382 176.000 0.221 0.000 0.964 41 Q CA 0.961 56.809 55.803 0.076 0.000 0.855 41 Q CB -0.015 28.665 28.738 -0.096 0.000 0.918 41 Q HN 0.330 nan 8.270 nan 0.000 0.444 42 L N 0.549 121.870 121.223 0.164 0.000 2.027 42 L HA -0.172 4.169 4.340 0.001 0.000 0.206 42 L C 2.421 179.357 176.870 0.110 0.000 1.074 42 L CA 1.645 56.612 54.840 0.213 0.000 0.745 42 L CB -0.605 41.543 42.059 0.148 0.000 0.898 42 L HN 0.077 nan 8.230 nan 0.000 0.433 43 R N 0.153 120.677 120.500 0.039 0.000 2.091 43 R HA -0.129 4.211 4.340 0.001 0.000 0.238 43 R C 2.112 178.373 176.300 -0.065 0.000 1.136 43 R CA 1.802 57.866 56.100 -0.060 0.000 0.959 43 R CB -0.782 29.495 30.300 -0.037 0.000 0.856 43 R HN 0.319 nan 8.270 nan 0.000 0.437 44 A N 0.004 122.836 122.820 0.021 0.000 1.969 44 A HA 0.057 4.377 4.320 0.001 0.000 0.218 44 A C 2.192 179.791 177.584 0.026 0.000 1.169 44 A CA 1.482 53.539 52.037 0.034 0.000 0.635 44 A CB -0.764 18.282 19.000 0.077 0.000 0.810 44 A HN 0.484 nan 8.150 nan 0.000 0.445 45 A N -1.844 121.008 122.820 0.053 0.000 2.235 45 A HA 0.403 4.723 4.320 0.001 0.000 0.208 45 A C 1.770 179.299 177.584 -0.092 0.000 1.172 45 A CA 1.217 53.231 52.037 -0.039 0.000 0.786 45 A CB -0.871 18.099 19.000 -0.049 0.000 0.804 45 A HN 1.844 nan 8.150 nan 0.000 0.479 46 G N -1.598 107.150 108.800 -0.087 0.000 2.157 46 G HA2 -0.199 3.762 3.960 0.001 0.000 0.248 46 G HA3 -0.199 3.762 3.960 0.001 0.000 0.248 46 G C 0.197 175.062 174.900 -0.058 0.000 0.979 46 G CA 0.044 45.098 45.100 -0.076 0.000 0.650 46 G HN 0.748 nan 8.290 nan 0.000 0.529 47 V N 1.633 121.497 119.914 -0.083 0.000 2.599 47 V HA 0.111 4.232 4.120 0.001 0.000 0.300 47 V C 1.542 177.610 176.094 -0.044 0.000 1.034 47 V CA 0.804 63.088 62.300 -0.026 0.000 1.115 47 V CB 1.069 32.951 31.823 0.098 0.000 0.934 47 V HN 0.382 nan 8.190 nan 0.000 0.485 48 D N 3.146 123.559 120.400 0.022 0.000 2.149 48 D HA 0.089 4.729 4.640 0.001 0.000 0.201 48 D C 0.781 177.161 176.300 0.134 0.000 0.972 48 D CA 1.507 55.576 54.000 0.115 0.000 0.835 48 D CB 0.583 41.384 40.800 0.001 0.000 0.966 48 D HN 0.740 nan 8.370 nan 0.000 0.476 49 G N -0.320 108.565 108.800 0.142 0.000 2.548 49 G HA2 0.451 4.411 3.960 0.001 0.000 0.301 49 G HA3 0.451 4.411 3.960 0.001 0.000 0.301 49 G C -1.319 173.800 174.900 0.365 0.000 1.349 49 G CA -0.234 45.069 45.100 0.338 0.000 0.792 49 G HN 0.076 nan 8.290 nan 0.000 0.481 50 V N -3.208 116.887 119.914 0.302 0.000 3.126 50 V HA 0.982 5.103 4.120 0.001 0.000 0.314 50 V C -0.352 175.845 176.094 0.172 0.000 1.138 50 V CA -0.811 61.630 62.300 0.235 0.000 1.034 50 V CB 1.550 33.466 31.823 0.155 0.000 1.075 50 V HN 0.917 nan 8.190 nan 0.000 0.442 51 T N 1.258 115.892 114.554 0.134 0.000 2.876 51 T HA 0.749 5.100 4.350 0.001 0.000 0.289 51 T C -1.009 173.717 174.700 0.043 0.000 1.014 51 T CA -0.436 61.698 62.100 0.058 0.000 0.986 51 T CB 1.660 70.560 68.868 0.054 0.000 1.021 51 T HN 1.120 nan 8.240 nan 0.000 0.458 52 V N 1.996 121.911 119.914 0.000 0.000 2.971 52 V HA 0.419 4.539 4.120 0.001 0.000 0.309 52 V C -1.449 174.586 176.094 -0.098 0.000 1.130 52 V CA -0.905 61.399 62.300 0.006 0.000 0.964 52 V CB 2.336 34.202 31.823 0.071 0.000 1.029 52 V HN 0.913 nan 8.190 nan 0.000 0.427 53 D N 3.417 123.707 120.400 -0.183 0.000 2.304 53 D HA 0.322 4.962 4.640 0.001 0.000 0.250 53 D C -0.540 175.478 176.300 -0.469 0.000 1.107 53 D CA 0.132 53.783 54.000 -0.583 0.000 0.885 53 D CB 2.092 42.132 40.800 -1.266 0.000 1.192 53 D HN 0.333 nan 8.370 nan 0.000 0.436 54 V N 3.717 123.312 119.914 -0.531 0.000 2.239 54 V HA 0.105 4.225 4.120 0.001 0.000 0.267 54 V C -0.389 175.529 176.094 -0.294 0.000 1.056 54 V CA -0.907 61.107 62.300 -0.476 0.000 0.830 54 V CB -0.245 31.314 31.823 -0.439 0.000 1.090 54 V HN 0.453 nan 8.190 nan 0.000 0.459 55 W N 3.338 124.641 121.300 0.006 0.000 2.489 55 W HA 0.087 4.749 4.660 0.003 0.000 0.327 55 W C 1.089 177.691 176.519 0.138 0.000 1.436 55 W CA -0.125 57.239 57.345 0.031 0.000 1.315 55 W CB 0.315 29.814 29.460 0.065 0.000 1.373 55 W HN 0.777 nan 8.180 nan 0.000 0.557 56 W N 3.592 124.931 121.300 0.065 0.000 2.338 56 W HA -0.137 4.525 4.660 0.003 0.000 0.304 56 W C 1.942 178.554 176.519 0.156 0.000 1.212 56 W CA 2.182 59.522 57.345 -0.008 0.000 1.264 56 W CB -0.826 28.531 29.460 -0.172 0.000 1.142 56 W HN 0.407 nan 8.180 nan 0.000 0.512 57 G N 0.412 109.242 108.800 0.051 0.000 2.498 57 G HA2 -0.197 3.763 3.960 0.001 0.000 0.219 57 G HA3 -0.197 3.763 3.960 0.001 0.000 0.219 57 G C 1.512 176.391 174.900 -0.035 0.000 1.119 57 G CA 1.205 46.200 45.100 -0.175 0.000 0.766 57 G HN 0.383 nan 8.290 nan 0.000 0.552 58 I N -0.301 120.345 120.570 0.127 0.000 2.556 58 I HA 0.098 4.268 4.170 0.001 0.000 0.251 58 I C 2.449 178.656 176.117 0.150 0.000 1.105 58 I CA 0.344 61.733 61.300 0.148 0.000 1.436 58 I CB -0.039 38.122 38.000 0.268 0.000 1.139 58 I HN 0.074 nan 8.210 nan 0.000 0.438 59 I N 0.458 121.145 120.570 0.196 0.000 2.286 59 I HA -0.218 3.953 4.170 0.001 0.000 0.245 59 I C 1.776 177.974 176.117 0.136 0.000 1.104 59 I CA 1.377 62.719 61.300 0.070 0.000 1.397 59 I CB 0.022 37.941 38.000 -0.136 0.000 1.072 59 I HN 0.169 nan 8.210 nan 0.000 0.417 60 E N 0.823 121.209 120.200 0.310 0.000 2.542 60 E HA 0.048 4.399 4.350 0.001 0.000 0.224 60 E C 1.346 178.109 176.600 0.273 0.000 1.110 60 E CA -0.192 56.404 56.400 0.326 0.000 1.350 60 E CB 0.375 30.483 29.700 0.679 0.000 1.302 60 E HN 0.223 nan 8.360 nan 0.000 0.435 61 L N 1.033 122.339 121.223 0.139 0.000 2.005 61 L HA -0.077 4.263 4.340 0.001 0.000 0.207 61 L C 2.119 179.100 176.870 0.185 0.000 1.072 61 L CA 1.860 56.770 54.840 0.117 0.000 0.744 61 L CB -0.266 41.821 42.059 0.047 0.000 0.895 61 L HN 0.058 nan 8.230 nan 0.000 0.433 62 K N -0.252 120.197 120.400 0.082 0.000 2.074 62 K HA 0.065 4.385 4.320 0.001 0.000 0.209 62 K C 0.678 177.249 176.600 -0.048 0.000 1.048 62 K CA 1.248 57.547 56.287 0.019 0.000 0.926 62 K CB -0.388 32.093 32.500 -0.031 0.000 0.713 62 K HN 0.585 nan 8.250 nan 0.000 0.444 63 G N -2.244 106.439 108.800 -0.196 0.000 2.320 63 G HA2 0.216 4.177 3.960 0.001 0.000 0.296 63 G HA3 0.216 4.177 3.960 0.001 0.000 0.296 63 G C -3.007 171.313 174.900 -0.967 0.000 1.306 63 G CA -1.133 43.546 45.100 -0.703 0.000 0.836 63 G HN -0.190 nan 8.290 nan 0.000 0.517 64 P HA 0.206 nan 4.420 nan 0.000 0.260 64 P C 0.031 177.027 177.300 -0.506 0.000 1.185 64 P CA 0.670 63.210 63.100 -0.933 0.000 0.763 64 P CB 0.299 31.521 31.700 -0.797 0.000 0.776 65 K N 0.852 120.977 120.400 -0.459 0.000 3.209 65 K HA -0.218 4.102 4.320 0.001 0.000 0.289 65 K C -0.114 176.050 176.600 -0.726 0.000 1.191 65 K CA 0.599 56.472 56.287 -0.691 0.000 0.851 65 K CB -1.113 31.258 32.500 -0.215 0.000 1.242 65 K HN 0.580 nan 8.250 nan 0.000 0.480 66 Q N 0.842 120.285 119.800 -0.596 0.000 2.963 66 Q HA 0.130 4.470 4.340 0.001 0.000 0.262 66 Q C -0.785 175.048 176.000 -0.279 0.000 1.318 66 Q CA 0.120 55.725 55.803 -0.329 0.000 1.089 66 Q CB 0.048 28.650 28.738 -0.226 0.000 1.424 66 Q HN 0.179 nan 8.270 nan 0.000 0.560 67 Y N 0.207 120.493 120.300 -0.024 0.000 2.299 67 Y HA 0.251 4.801 4.550 0.001 0.000 0.326 67 Y C 0.623 176.375 175.900 -0.247 0.000 1.164 67 Y CA -0.930 57.047 58.100 -0.205 0.000 1.234 67 Y CB 0.825 39.128 38.460 -0.261 0.000 1.219 67 Y HN 0.159 nan 8.280 nan 0.000 0.497 68 D N 1.991 122.262 120.400 -0.216 0.000 2.421 68 D HA 0.186 4.826 4.640 0.001 0.000 0.254 68 D C -0.990 175.231 176.300 -0.132 0.000 1.238 68 D CA -0.826 53.123 54.000 -0.085 0.000 0.919 68 D CB 0.250 41.055 40.800 0.008 0.000 1.152 68 D HN 0.581 nan 8.370 nan 0.000 0.552 69 W N 2.732 124.145 121.300 0.189 0.000 3.278 69 W HA 0.241 4.903 4.660 0.003 0.000 0.308 69 W C 2.008 178.645 176.519 0.196 0.000 1.253 69 W CA -0.513 56.943 57.345 0.185 0.000 1.759 69 W CB 0.395 29.911 29.460 0.092 0.000 1.093 69 W HN 0.243 nan 8.180 nan 0.000 0.648 70 R N 0.962 121.659 120.500 0.330 0.000 2.094 70 R HA -0.214 4.127 4.340 0.001 0.000 0.239 70 R C 2.400 178.842 176.300 0.236 0.000 1.137 70 R CA 2.007 58.259 56.100 0.253 0.000 0.943 70 R CB -0.979 29.430 30.300 0.182 0.000 0.850 70 R HN 0.191 nan 8.270 nan 0.000 0.433 71 A N 0.208 123.155 122.820 0.211 0.000 1.908 71 A HA -0.190 4.131 4.320 0.001 0.000 0.218 71 A C 1.914 179.508 177.584 0.015 0.000 1.181 71 A CA 1.299 53.414 52.037 0.131 0.000 0.627 71 A CB -0.702 18.348 19.000 0.083 0.000 0.818 71 A HN 0.368 nan 8.150 nan 0.000 0.445 72 Y N -0.382 120.000 120.300 0.136 0.000 2.373 72 Y HA -0.087 4.463 4.550 0.001 0.000 0.293 72 Y C 2.640 178.559 175.900 0.032 0.000 1.129 72 Y CA 1.419 59.570 58.100 0.085 0.000 1.226 72 Y CB -0.112 38.504 38.460 0.260 0.000 1.000 72 Y HN 0.226 nan 8.280 nan 0.000 0.549 73 R N -0.893 119.760 120.500 0.256 0.000 2.092 73 R HA -0.130 4.211 4.340 0.001 0.000 0.231 73 R C 2.336 178.732 176.300 0.160 0.000 1.119 73 R CA 1.485 57.729 56.100 0.239 0.000 0.970 73 R CB -0.381 30.109 30.300 0.318 0.000 0.864 73 R HN 0.189 nan 8.270 nan 0.000 0.440 74 S N 1.250 117.041 115.700 0.151 0.000 2.368 74 S HA -0.124 4.346 4.470 0.001 0.000 0.225 74 S C 1.783 176.442 174.600 0.099 0.000 1.030 74 S CA 0.916 59.233 58.200 0.194 0.000 0.999 74 S CB -0.188 63.206 63.200 0.322 0.000 0.844 74 S HN 0.175 nan 8.310 nan 0.000 0.459 75 L N 1.425 122.504 121.223 -0.240 0.000 2.027 75 L HA 0.019 4.359 4.340 0.001 0.000 0.206 75 L C 1.867 178.592 176.870 -0.241 0.000 1.074 75 L CA 1.586 56.114 54.840 -0.519 0.000 0.745 75 L CB -0.734 40.818 42.059 -0.845 0.000 0.898 75 L HN 0.155 nan 8.230 nan 0.000 0.433 76 L N -0.468 120.578 121.223 -0.296 0.000 2.083 76 L HA -0.198 4.143 4.340 0.001 0.000 0.209 76 L C 2.644 179.253 176.870 -0.434 0.000 1.083 76 L CA 1.760 56.299 54.840 -0.501 0.000 0.752 76 L CB -1.079 40.365 42.059 -1.025 0.000 0.899 76 L HN 0.452 nan 8.230 nan 0.000 0.433 77 Q N -0.479 119.202 119.800 -0.198 0.000 2.061 77 Q HA -0.225 4.115 4.340 0.001 0.000 0.204 77 Q C 2.158 178.225 176.000 0.111 0.000 0.984 77 Q CA 1.829 57.718 55.803 0.143 0.000 0.846 77 Q CB -0.554 28.343 28.738 0.265 0.000 0.902 77 Q HN 0.378 nan 8.270 nan 0.000 0.421 78 L N -0.619 120.666 121.223 0.103 0.000 2.046 78 L HA -0.098 4.242 4.340 0.001 0.000 0.208 78 L C 2.113 179.034 176.870 0.084 0.000 1.077 78 L CA 1.499 56.415 54.840 0.127 0.000 0.747 78 L CB -0.693 41.499 42.059 0.222 0.000 0.896 78 L HN 0.168 nan 8.230 nan 0.000 0.432 79 V N -0.171 119.764 119.914 0.036 0.000 2.332 79 V HA -0.360 3.761 4.120 0.001 0.000 0.248 79 V C 2.595 178.720 176.094 0.052 0.000 1.055 79 V CA 2.141 64.461 62.300 0.033 0.000 1.038 79 V CB -0.785 31.033 31.823 -0.008 0.000 0.651 79 V HN 0.693 nan 8.190 nan 0.000 0.450 80 Q N 0.040 119.871 119.800 0.051 0.000 2.084 80 Q HA -0.266 4.075 4.340 0.001 0.000 0.202 80 Q C 2.194 178.254 176.000 0.100 0.000 0.978 80 Q CA 2.092 57.953 55.803 0.097 0.000 0.844 80 Q CB -0.154 28.683 28.738 0.164 0.000 0.898 80 Q HN 0.724 nan 8.270 nan 0.000 0.426 81 E N -0.604 119.655 120.200 0.099 0.000 2.153 81 E HA -0.172 4.178 4.350 0.001 0.000 0.194 81 E C 1.715 178.359 176.600 0.072 0.000 0.988 81 E CA 1.129 57.582 56.400 0.087 0.000 0.811 81 E CB 0.012 29.765 29.700 0.088 0.000 0.746 81 E HN 0.416 nan 8.360 nan 0.000 0.466 82 C N 0.340 119.682 119.300 0.070 0.000 2.576 82 C HA 0.219 4.679 4.460 0.001 0.000 0.267 82 C C 1.438 176.459 174.990 0.051 0.000 1.364 82 C CA 0.347 59.400 59.018 0.057 0.000 1.723 82 C CB -1.147 26.628 27.740 0.058 0.000 1.778 82 C HN 0.646 nan 8.230 nan 0.000 0.572 83 G N 1.056 109.895 108.800 0.066 0.000 2.225 83 G HA2 -0.231 3.729 3.960 0.001 0.000 0.264 83 G HA3 -0.231 3.729 3.960 0.001 0.000 0.264 83 G C -0.369 174.575 174.900 0.073 0.000 1.060 83 G CA 0.036 45.180 45.100 0.073 0.000 0.833 83 G HN 0.535 nan 8.290 nan 0.000 0.498 84 L N -0.066 121.209 121.223 0.085 0.000 2.354 84 L HA 0.784 5.124 4.340 0.001 0.000 0.264 84 L C 1.029 177.980 176.870 0.136 0.000 1.008 84 L CA -0.652 54.250 54.840 0.105 0.000 0.819 84 L CB 2.202 44.316 42.059 0.092 0.000 1.339 84 L HN 0.341 nan 8.230 nan 0.000 0.420 85 T N -0.562 114.105 114.554 0.187 0.000 2.862 85 T HA 0.714 5.064 4.350 0.001 0.000 0.276 85 T C -0.686 174.119 174.700 0.175 0.000 0.974 85 T CA -0.697 61.517 62.100 0.190 0.000 0.966 85 T CB 1.868 70.887 68.868 0.252 0.000 1.072 85 T HN 0.380 nan 8.240 nan 0.000 0.538 86 L N -0.088 121.207 121.223 0.119 0.000 2.431 86 L HA 0.481 4.821 4.340 0.001 0.000 0.266 86 L C -1.079 175.786 176.870 -0.007 0.000 0.978 86 L CA -0.528 54.352 54.840 0.066 0.000 0.822 86 L CB 2.299 44.378 42.059 0.034 0.000 1.310 86 L HN 0.763 nan 8.230 nan 0.000 0.409 87 Q N 3.415 123.177 119.800 -0.063 0.000 2.325 87 Q HA 0.751 5.091 4.340 0.001 0.000 0.262 87 Q C -0.955 174.980 176.000 -0.109 0.000 0.968 87 Q CA -0.713 55.005 55.803 -0.143 0.000 0.877 87 Q CB 1.998 30.589 28.738 -0.245 0.000 1.253 87 Q HN 0.771 nan 8.270 nan 0.000 0.448 88 A N 4.289 127.023 122.820 -0.143 0.000 2.288 88 A HA 0.577 4.898 4.320 0.001 0.000 0.320 88 A C -0.474 176.945 177.584 -0.276 0.000 1.217 88 A CA -0.608 51.315 52.037 -0.189 0.000 0.840 88 A CB 0.438 19.320 19.000 -0.196 0.000 1.179 88 A HN 0.764 nan 8.150 nan 0.000 0.504 89 I N 3.492 123.894 120.570 -0.281 0.000 2.315 89 I HA 0.190 4.360 4.170 0.001 0.000 0.291 89 I C -0.081 175.790 176.117 -0.411 0.000 1.006 89 I CA -0.381 60.735 61.300 -0.306 0.000 1.265 89 I CB 1.390 39.224 38.000 -0.276 0.000 1.387 89 I HN 0.505 nan 8.210 nan 0.000 0.475 90 M N 5.242 124.595 119.600 -0.412 0.000 2.557 90 M HA 0.150 4.630 4.480 0.001 0.000 0.328 90 M C -0.092 175.748 176.300 -0.767 0.000 1.423 90 M CA 0.188 55.141 55.300 -0.579 0.000 1.418 90 M CB -0.217 32.124 32.600 -0.431 0.000 1.381 90 M HN 0.410 nan 8.290 nan 0.000 0.467 91 S N 3.583 118.853 115.700 -0.716 0.000 2.485 91 S HA 0.298 4.768 4.470 0.001 0.000 0.312 91 S C 0.389 174.728 174.600 -0.435 0.000 1.102 91 S CA -0.413 57.445 58.200 -0.570 0.000 1.066 91 S CB -0.409 62.171 63.200 -1.034 0.000 1.102 91 S HN 0.405 nan 8.310 nan 0.000 0.519 92 F N 2.896 122.869 119.950 0.038 0.000 2.663 92 F HA 0.172 4.700 4.527 0.001 0.000 0.299 92 F C 1.513 177.599 175.800 0.476 0.000 1.143 92 F CA -0.508 57.545 58.000 0.088 0.000 1.387 92 F CB -0.219 38.505 39.000 -0.461 0.000 1.019 92 F HN 0.572 nan 8.300 nan 0.000 0.523 93 H N -1.326 118.052 119.070 0.514 0.000 2.812 93 H HA 0.434 4.991 4.556 0.002 0.000 0.355 93 H C -0.717 174.904 175.328 0.489 0.000 1.207 93 H CA -1.159 55.204 56.048 0.525 0.000 1.217 93 H CB 0.855 30.841 29.762 0.373 0.000 1.874 93 H HN 0.162 nan 8.280 nan 0.000 0.581 94 Q N 0.599 120.635 119.800 0.394 0.000 2.230 94 Q HA 0.381 4.722 4.340 0.001 0.000 0.248 94 Q C -1.096 174.992 176.000 0.148 0.000 0.915 94 Q CA -0.705 55.193 55.803 0.159 0.000 0.900 94 Q CB 1.391 30.192 28.738 0.106 0.000 1.229 94 Q HN 0.608 nan 8.270 nan 0.000 0.439 95 C N 2.768 121.974 119.300 -0.157 0.000 2.329 95 C HA 0.855 5.316 4.460 0.001 0.000 0.329 95 C C 0.987 175.914 174.990 -0.105 0.000 1.275 95 C CA 0.929 59.865 59.018 -0.137 0.000 1.726 95 C CB -0.010 27.389 27.740 -0.570 0.000 2.291 95 C HN 1.061 nan 8.230 nan 0.000 0.514 96 G N 3.538 112.331 108.800 -0.011 0.000 3.505 96 G HA2 0.000 3.961 3.960 0.001 0.000 0.210 96 G HA3 0.000 3.961 3.960 0.001 0.000 0.210 96 G C 0.901 175.806 174.900 0.007 0.000 1.047 96 G CA 0.375 45.463 45.100 -0.021 0.000 0.884 96 G HN 1.274 nan 8.290 nan 0.000 0.434 97 G N 0.480 109.295 108.800 0.024 0.000 3.189 97 G HA2 0.365 4.325 3.960 0.001 0.000 0.225 97 G HA3 0.365 4.325 3.960 0.001 0.000 0.225 97 G C 0.240 175.160 174.900 0.033 0.000 1.159 97 G CA 0.146 45.259 45.100 0.022 0.000 0.763 97 G HN 0.359 nan 8.290 nan 0.000 0.549 98 N N -0.224 118.505 118.700 0.048 0.000 2.432 98 N HA 0.249 4.990 4.740 0.001 0.000 0.292 98 N C -0.432 175.122 175.510 0.074 0.000 1.193 98 N CA -0.604 52.481 53.050 0.057 0.000 0.878 98 N CB 2.376 40.890 38.487 0.045 0.000 1.252 98 N HN -0.147 nan 8.380 nan 0.000 0.520 99 V N 1.035 121.005 119.914 0.093 0.000 2.584 99 V HA 0.159 4.279 4.120 0.001 0.000 0.303 99 V C 1.377 177.503 176.094 0.053 0.000 1.035 99 V CA 2.033 64.378 62.300 0.075 0.000 1.172 99 V CB -0.498 31.374 31.823 0.082 0.000 0.896 99 V HN 1.006 nan 8.190 nan 0.000 0.486 100 G N 4.821 113.644 108.800 0.039 0.000 2.225 100 G HA2 -0.216 3.745 3.960 0.001 0.000 0.254 100 G HA3 -0.216 3.745 3.960 0.001 0.000 0.254 100 G C 0.008 174.936 174.900 0.046 0.000 0.988 100 G CA 0.192 45.313 45.100 0.035 0.000 0.625 100 G HN 0.804 nan 8.290 nan 0.000 0.527 101 D N 1.249 121.681 120.400 0.053 0.000 2.429 101 D HA 0.288 4.928 4.640 0.001 0.000 0.253 101 D C 1.994 178.307 176.300 0.022 0.000 1.294 101 D CA 0.333 54.363 54.000 0.050 0.000 1.063 101 D CB -0.292 40.539 40.800 0.051 0.000 1.096 101 D HN 0.672 nan 8.370 nan 0.000 0.516 102 I N -0.677 119.906 120.570 0.022 0.000 3.564 102 I HA 0.113 4.283 4.170 0.001 0.000 0.294 102 I C 0.363 176.473 176.117 -0.011 0.000 1.289 102 I CA -0.064 61.241 61.300 0.008 0.000 1.325 102 I CB 0.242 38.252 38.000 0.017 0.000 1.039 102 I HN -0.000 nan 8.210 nan 0.000 0.474 103 V N 1.651 121.546 119.914 -0.032 0.000 2.925 103 V HA 0.478 4.599 4.120 0.001 0.000 0.311 103 V C -1.405 174.617 176.094 -0.121 0.000 1.104 103 V CA -0.655 61.602 62.300 -0.071 0.000 0.954 103 V CB 2.372 34.148 31.823 -0.080 0.000 1.022 103 V HN 0.245 nan 8.190 nan 0.000 0.427 104 N N 6.109 124.732 118.700 -0.129 0.000 2.437 104 N HA 0.543 5.284 4.740 0.001 0.000 0.259 104 N C -1.005 174.370 175.510 -0.225 0.000 0.983 104 N CA -0.028 52.931 53.050 -0.152 0.000 0.937 104 N CB 1.638 40.066 38.487 -0.100 0.000 1.122 104 N HN 0.602 nan 8.380 nan 0.000 0.499 105 I N 3.273 123.649 120.570 -0.324 0.000 2.542 105 I HA 0.282 4.452 4.170 0.001 0.000 0.278 105 I C -2.476 173.459 176.117 -0.304 0.000 1.069 105 I CA -1.789 59.264 61.300 -0.412 0.000 1.100 105 I CB 2.057 39.547 38.000 -0.850 0.000 1.204 105 I HN 0.091 nan 8.210 nan 0.000 0.470 106 P HA 0.305 nan 4.420 nan 0.000 0.277 106 P C -0.038 177.169 177.300 -0.156 0.000 1.271 106 P CA -0.418 62.600 63.100 -0.138 0.000 0.795 106 P CB 0.674 32.300 31.700 -0.123 0.000 1.101 107 I N -3.052 117.424 120.570 -0.157 0.000 3.211 107 I HA 0.396 4.567 4.170 0.001 0.000 0.297 107 I C -2.285 173.503 176.117 -0.548 0.000 1.095 107 I CA -2.722 58.368 61.300 -0.348 0.000 1.239 107 I CB -0.652 37.174 38.000 -0.289 0.000 1.455 107 I HN 0.086 nan 8.210 nan 0.000 0.630 108 P HA -0.083 nan 4.420 nan 0.000 0.261 108 P C -0.069 176.874 177.300 -0.596 0.000 1.173 108 P CA 0.414 63.023 63.100 -0.819 0.000 0.760 108 P CB 0.472 31.382 31.700 -1.316 0.000 0.783 109 Q N 4.882 124.516 119.800 -0.277 0.000 2.135 109 Q HA -0.169 4.172 4.340 0.001 0.000 0.204 109 Q C 1.566 177.536 176.000 -0.051 0.000 0.981 109 Q CA 1.910 57.641 55.803 -0.119 0.000 0.856 109 Q CB -0.575 28.156 28.738 -0.012 0.000 0.902 109 Q HN 0.682 nan 8.270 nan 0.000 0.425 110 W N -1.255 120.026 121.300 -0.032 0.000 2.425 110 W HA -0.025 4.634 4.660 -0.001 0.000 0.277 110 W C 1.198 177.771 176.519 0.090 0.000 1.231 110 W CA 0.802 58.173 57.345 0.044 0.000 1.248 110 W CB -0.780 28.712 29.460 0.054 0.000 1.117 110 W HN -0.002 nan 8.180 nan 0.000 0.568 111 V N 1.686 121.237 119.914 -0.605 0.000 2.407 111 V HA -0.257 3.864 4.120 0.001 0.000 0.245 111 V C 2.577 178.606 176.094 -0.107 0.000 1.041 111 V CA 1.230 63.254 62.300 -0.460 0.000 1.040 111 V CB -0.876 30.458 31.823 -0.815 0.000 0.671 111 V HN 0.006 nan 8.190 nan 0.000 0.455 112 L N 0.189 121.350 121.223 -0.104 0.000 2.127 112 L HA -0.167 4.173 4.340 0.001 0.000 0.211 112 L C 2.137 179.055 176.870 0.079 0.000 1.089 112 L CA 1.772 56.649 54.840 0.061 0.000 0.757 112 L CB -1.143 40.918 42.059 0.003 0.000 0.899 112 L HN 0.351 nan 8.230 nan 0.000 0.434 113 D N -0.628 119.813 120.400 0.069 0.000 2.144 113 D HA -0.146 4.495 4.640 0.001 0.000 0.199 113 D C 2.369 178.709 176.300 0.066 0.000 0.984 113 D CA 1.176 55.228 54.000 0.086 0.000 0.834 113 D CB 0.035 40.917 40.800 0.138 0.000 0.955 113 D HN 0.331 nan 8.370 nan 0.000 0.465 114 I N 0.857 121.472 120.570 0.074 0.000 2.394 114 I HA -0.127 4.043 4.170 0.001 0.000 0.251 114 I C 2.455 178.536 176.117 -0.059 0.000 1.136 114 I CA 1.078 62.380 61.300 0.003 0.000 1.425 114 I CB -0.358 37.652 38.000 0.016 0.000 1.079 114 I HN -0.012 nan 8.210 nan 0.000 0.425 115 G N 0.273 109.053 108.800 -0.032 0.000 2.498 115 G HA2 -0.167 3.794 3.960 0.001 0.000 0.219 115 G HA3 -0.167 3.794 3.960 0.001 0.000 0.219 115 G C 1.505 176.325 174.900 -0.132 0.000 1.119 115 G CA 0.318 45.373 45.100 -0.074 0.000 0.766 115 G HN 0.300 nan 8.290 nan 0.000 0.552 116 E N 0.969 121.108 120.200 -0.101 0.000 2.152 116 E HA -0.083 4.268 4.350 0.001 0.000 0.192 116 E C 2.763 179.257 176.600 -0.177 0.000 0.983 116 E CA 1.295 57.596 56.400 -0.164 0.000 0.818 116 E CB -0.091 29.598 29.700 -0.018 0.000 0.758 116 E HN 0.594 nan 8.360 nan 0.000 0.467 117 S N -0.463 115.182 115.700 -0.092 0.000 2.517 117 S HA 0.063 4.533 4.470 0.001 0.000 0.214 117 S C 0.688 175.289 174.600 0.002 0.000 0.991 117 S CA -0.297 57.895 58.200 -0.013 0.000 0.906 117 S CB -0.035 63.163 63.200 -0.003 0.000 0.789 117 S HN 0.109 nan 8.310 nan 0.000 0.513 118 N N 0.002 118.661 118.700 -0.068 0.000 2.685 118 N HA 0.293 5.033 4.740 0.001 0.000 0.252 118 N C -0.495 174.997 175.510 -0.030 0.000 1.261 118 N CA -0.319 52.729 53.050 -0.003 0.000 0.768 118 N CB 0.501 38.960 38.487 -0.047 0.000 1.304 118 N HN 0.085 nan 8.380 nan 0.000 0.536 119 H N 0.494 119.620 119.070 0.093 0.000 2.521 119 H HA -0.001 4.556 4.556 0.001 0.000 0.286 119 H C 0.489 175.923 175.328 0.177 0.000 1.034 119 H CA 0.768 56.937 56.048 0.201 0.000 1.278 119 H CB 0.327 30.219 29.762 0.216 0.000 1.386 119 H HN 0.543 nan 8.280 nan 0.000 0.567 120 D N 0.786 121.319 120.400 0.221 0.000 2.352 120 D HA -0.024 4.616 4.640 0.001 0.000 0.232 120 D C 1.608 178.036 176.300 0.212 0.000 1.055 120 D CA 0.384 54.523 54.000 0.232 0.000 0.891 120 D CB 0.061 40.953 40.800 0.153 0.000 0.897 120 D HN 0.636 nan 8.370 nan 0.000 0.529 121 I N -3.325 117.195 120.570 -0.083 0.000 3.578 121 I HA 0.101 4.271 4.170 0.001 0.000 0.295 121 I C -0.147 175.752 176.117 -0.364 0.000 1.280 121 I CA 0.110 61.250 61.300 -0.267 0.000 1.347 121 I CB -0.108 37.643 38.000 -0.416 0.000 1.051 121 I HN -0.335 nan 8.210 nan 0.000 0.460 122 F N 0.267 120.285 119.950 0.113 0.000 2.470 122 F HA 0.502 5.029 4.527 0.001 0.000 0.329 122 F C 0.057 175.949 175.800 0.153 0.000 1.072 122 F CA -1.209 56.848 58.000 0.096 0.000 0.989 122 F CB 0.279 39.368 39.000 0.150 0.000 1.193 122 F HN -0.232 nan 8.300 nan 0.000 0.481 123 Y N 0.849 121.407 120.300 0.429 0.000 2.712 123 Y HA 0.243 4.794 4.550 0.001 0.000 0.333 123 Y C 0.662 176.767 175.900 0.340 0.000 1.225 123 Y CA 0.183 58.498 58.100 0.358 0.000 1.499 123 Y CB 0.108 38.768 38.460 0.334 0.000 1.288 123 Y HN 0.430 nan 8.280 nan 0.000 0.575 124 T N 4.926 119.795 114.554 0.525 0.000 2.886 124 T HA 0.286 4.637 4.350 0.001 0.000 0.292 124 T C -0.415 174.529 174.700 0.407 0.000 1.012 124 T CA -1.222 61.119 62.100 0.402 0.000 0.982 124 T CB 0.979 70.062 68.868 0.357 0.000 1.018 124 T HN 0.613 nan 8.240 nan 0.000 0.451 125 N N 1.581 120.436 118.700 0.258 0.000 2.448 125 N HA 0.260 5.000 4.740 0.001 0.000 0.274 125 N C 1.080 176.404 175.510 -0.311 0.000 1.239 125 N CA -1.003 52.111 53.050 0.107 0.000 0.982 125 N CB 0.755 39.279 38.487 0.061 0.000 1.199 125 N HN 0.557 nan 8.380 nan 0.000 0.576 126 R N -0.279 119.672 120.500 -0.916 0.000 2.139 126 R HA -0.059 4.281 4.340 0.001 0.000 0.243 126 R C 1.133 177.141 176.300 -0.487 0.000 1.145 126 R CA 1.628 56.990 56.100 -1.231 0.000 0.976 126 R CB -0.259 29.429 30.300 -1.019 0.000 0.866 126 R HN 0.641 nan 8.270 nan 0.000 0.449 127 S N -1.180 114.351 115.700 -0.282 0.000 2.522 127 S HA 0.103 4.574 4.470 0.001 0.000 0.227 127 S C 1.056 175.615 174.600 -0.067 0.000 0.986 127 S CA 0.790 58.908 58.200 -0.137 0.000 0.929 127 S CB 0.713 63.865 63.200 -0.079 0.000 0.769 127 S HN 0.736 nan 8.310 nan 0.000 0.529 128 G N 1.100 109.873 108.800 -0.045 0.000 2.159 128 G HA2 -0.217 3.743 3.960 0.001 0.000 0.227 128 G HA3 -0.217 3.743 3.960 0.001 0.000 0.227 128 G C 0.116 175.058 174.900 0.071 0.000 0.986 128 G CA 0.073 45.188 45.100 0.026 0.000 0.651 128 G HN 0.443 nan 8.290 nan 0.000 0.523 129 T N 3.051 117.655 114.554 0.084 0.000 2.814 129 T HA 0.499 4.850 4.350 0.001 0.000 0.297 129 T C 0.550 175.347 174.700 0.162 0.000 0.956 129 T CA -0.201 61.966 62.100 0.112 0.000 1.123 129 T CB 0.808 69.751 68.868 0.125 0.000 0.902 129 T HN 0.368 nan 8.240 nan 0.000 0.528 130 R N 3.308 123.903 120.500 0.158 0.000 2.312 130 R HA 0.364 4.704 4.340 0.001 0.000 0.311 130 R C -0.154 176.205 176.300 0.098 0.000 1.004 130 R CA -0.826 55.396 56.100 0.204 0.000 0.902 130 R CB 0.169 30.633 30.300 0.273 0.000 1.073 130 R HN 0.454 nan 8.270 nan 0.000 0.457 131 N N 2.073 120.872 118.700 0.165 0.000 2.425 131 N HA 0.108 4.849 4.740 0.001 0.000 0.268 131 N C -0.329 175.169 175.510 -0.021 0.000 0.991 131 N CA -0.245 52.863 53.050 0.097 0.000 0.931 131 N CB 1.041 39.659 38.487 0.219 0.000 1.130 131 N HN 0.420 nan 8.380 nan 0.000 0.493 132 K N 1.955 122.207 120.400 -0.247 0.000 2.446 132 K HA 0.040 4.360 4.320 0.001 0.000 0.203 132 K C 0.858 177.460 176.600 0.004 0.000 1.027 132 K CA 0.042 56.061 56.287 -0.448 0.000 1.166 132 K CB 0.421 32.505 32.500 -0.693 0.000 0.869 132 K HN 0.663 nan 8.250 nan 0.000 0.504 133 E N -0.196 120.092 120.200 0.146 0.000 2.435 133 E HA -0.097 4.254 4.350 0.001 0.000 0.195 133 E C -0.212 176.649 176.600 0.436 0.000 1.029 133 E CA 0.408 56.953 56.400 0.241 0.000 0.865 133 E CB 0.085 29.909 29.700 0.206 0.000 0.833 133 E HN 0.178 nan 8.360 nan 0.000 0.510 134 Y N -0.058 120.425 120.300 0.305 0.000 2.521 134 Y HA 0.288 4.838 4.550 0.001 0.000 0.328 134 Y C -1.628 174.409 175.900 0.228 0.000 1.151 134 Y CA -1.451 56.834 58.100 0.309 0.000 1.054 134 Y CB 1.258 39.902 38.460 0.307 0.000 1.338 134 Y HN -0.112 nan 8.280 nan 0.000 0.453 135 L N 4.039 125.014 121.223 -0.414 0.000 2.410 135 L HA 0.213 4.553 4.340 0.001 0.000 0.273 135 L C 0.855 177.421 176.870 -0.506 0.000 1.144 135 L CA 0.480 55.098 54.840 -0.370 0.000 0.863 135 L CB 0.576 42.403 42.059 -0.386 0.000 1.140 135 L HN 0.779 nan 8.230 nan 0.000 0.463 136 T N 2.241 116.477 114.554 -0.529 0.000 2.946 136 T HA 0.004 4.355 4.350 0.001 0.000 0.311 136 T C 1.405 175.890 174.700 -0.359 0.000 1.063 136 T CA 0.237 61.856 62.100 -0.801 0.000 1.139 136 T CB 0.562 69.181 68.868 -0.415 0.000 0.994 136 T HN 0.493 nan 8.240 nan 0.000 0.547 137 V N 4.828 124.597 119.914 -0.241 0.000 2.867 137 V HA 0.048 4.169 4.120 0.001 0.000 0.260 137 V C 2.223 178.302 176.094 -0.026 0.000 1.099 137 V CA 2.521 64.745 62.300 -0.126 0.000 1.122 137 V CB -1.182 30.525 31.823 -0.193 0.000 0.708 137 V HN 1.072 nan 8.190 nan 0.000 0.490 138 G N 0.131 108.932 108.800 0.002 0.000 2.462 138 G HA2 -0.188 3.772 3.960 0.001 0.000 0.220 138 G HA3 -0.188 3.772 3.960 0.001 0.000 0.220 138 G C 1.342 176.155 174.900 -0.144 0.000 1.121 138 G CA 1.405 46.541 45.100 0.060 0.000 0.758 138 G HN 1.053 nan 8.290 nan 0.000 0.559 139 V N -2.594 117.180 119.914 -0.234 0.000 3.376 139 V HA 0.256 4.376 4.120 0.001 0.000 0.313 139 V C 1.344 177.355 176.094 -0.137 0.000 1.393 139 V CA 0.328 62.439 62.300 -0.315 0.000 1.125 139 V CB 0.317 31.948 31.823 -0.319 0.000 1.037 139 V HN -0.057 nan 8.190 nan 0.000 0.440 140 D N 3.030 123.381 120.400 -0.081 0.000 2.149 140 D HA -0.189 4.451 4.640 0.001 0.000 0.194 140 D C 1.202 177.458 176.300 -0.073 0.000 1.001 140 D CA 2.346 56.316 54.000 -0.051 0.000 0.849 140 D CB -0.187 40.647 40.800 0.057 0.000 0.939 140 D HN 0.718 nan 8.370 nan 0.000 0.449 141 N N 0.091 118.759 118.700 -0.053 0.000 2.338 141 N HA 0.065 4.806 4.740 0.001 0.000 0.251 141 N C -0.743 174.737 175.510 -0.050 0.000 1.199 141 N CA -0.145 52.881 53.050 -0.040 0.000 0.879 141 N CB 0.915 39.396 38.487 -0.011 0.000 1.159 141 N HN -0.057 nan 8.380 nan 0.000 0.514 142 E N 1.792 121.935 120.200 -0.095 0.000 2.115 142 E HA 0.142 4.493 4.350 0.001 0.000 0.282 142 E C -2.189 174.349 176.600 -0.104 0.000 0.987 142 E CA -2.006 54.315 56.400 -0.132 0.000 0.797 142 E CB 1.434 30.951 29.700 -0.305 0.000 1.086 142 E HN 0.138 nan 8.360 nan 0.000 0.397 143 P HA 0.078 nan 4.420 nan 0.000 0.225 143 P C 0.622 177.855 177.300 -0.113 0.000 1.768 143 P CA 0.208 63.282 63.100 -0.043 0.000 0.943 143 P CB -0.709 30.980 31.700 -0.018 0.000 1.936 144 I N -5.168 115.233 120.570 -0.282 0.000 3.956 144 I HA 0.308 4.478 4.170 0.001 0.000 0.333 144 I C -0.221 175.515 176.117 -0.634 0.000 1.302 144 I CA -0.334 60.684 61.300 -0.470 0.000 1.122 144 I CB -0.303 37.330 38.000 -0.611 0.000 1.013 144 I HN -0.261 nan 8.210 nan 0.000 0.405 145 F N 3.565 123.481 119.950 -0.055 0.000 2.344 145 F HA 0.456 4.984 4.527 0.000 0.000 0.344 145 F C 0.356 176.213 175.800 0.095 0.000 1.140 145 F CA -0.794 57.215 58.000 0.016 0.000 1.256 145 F CB -0.622 38.464 39.000 0.143 0.000 1.573 145 F HN 0.141 nan 8.300 nan 0.000 0.547 146 H N 0.859 120.028 119.070 0.165 0.000 2.713 146 H HA -0.196 4.361 4.556 0.001 0.000 0.311 146 H C 1.530 176.893 175.328 0.060 0.000 1.175 146 H CA 0.810 56.909 56.048 0.085 0.000 1.143 146 H CB -1.194 28.598 29.762 0.050 0.000 1.434 146 H HN 0.928 nan 8.280 nan 0.000 0.418 147 G N -0.636 108.229 108.800 0.107 0.000 2.258 147 G HA2 -0.303 3.657 3.960 0.001 0.000 0.233 147 G HA3 -0.303 3.657 3.960 0.001 0.000 0.233 147 G C 0.494 175.445 174.900 0.086 0.000 1.006 147 G CA 0.354 45.500 45.100 0.077 0.000 0.620 147 G HN 0.547 nan 8.290 nan 0.000 0.511 148 R N 1.079 121.668 120.500 0.148 0.000 2.598 148 R HA 0.611 4.951 4.340 0.001 0.000 0.279 148 R C 0.749 177.158 176.300 0.182 0.000 0.984 148 R CA 0.148 56.334 56.100 0.144 0.000 0.999 148 R CB 1.101 31.500 30.300 0.165 0.000 1.114 148 R HN 0.371 nan 8.270 nan 0.000 0.493 149 T N -1.831 112.774 114.554 0.084 0.000 2.881 149 T HA 0.334 4.684 4.350 0.001 0.000 0.278 149 T C 1.315 175.971 174.700 -0.072 0.000 0.982 149 T CA -0.348 61.790 62.100 0.063 0.000 0.989 149 T CB 1.601 70.451 68.868 -0.029 0.000 1.058 149 T HN 0.588 nan 8.240 nan 0.000 0.529 150 A N 0.728 123.432 122.820 -0.193 0.000 1.883 150 A HA 0.027 4.348 4.320 0.001 0.000 0.217 150 A C 2.306 179.235 177.584 -1.093 0.000 1.186 150 A CA 1.390 52.985 52.037 -0.737 0.000 0.624 150 A CB -1.120 17.499 19.000 -0.635 0.000 0.822 150 A HN 0.875 nan 8.150 nan 0.000 0.444 151 I N -0.418 119.786 120.570 -0.609 0.000 2.286 151 I HA -0.258 3.913 4.170 0.001 0.000 0.248 151 I C 2.425 178.347 176.117 -0.325 0.000 1.115 151 I CA 1.526 62.563 61.300 -0.438 0.000 1.392 151 I CB -0.458 37.440 38.000 -0.169 0.000 1.065 151 I HN 0.458 nan 8.210 nan 0.000 0.418 152 E N 0.924 120.984 120.200 -0.233 0.000 2.106 152 E HA -0.186 4.164 4.350 0.001 0.000 0.192 152 E C 2.294 178.832 176.600 -0.104 0.000 0.984 152 E CA 1.138 57.474 56.400 -0.108 0.000 0.806 152 E CB -0.047 29.631 29.700 -0.037 0.000 0.750 152 E HN 0.499 nan 8.360 nan 0.000 0.458 153 I N 0.570 120.999 120.570 -0.234 0.000 2.179 153 I HA -0.296 3.875 4.170 0.001 0.000 0.242 153 I C 2.097 178.121 176.117 -0.155 0.000 1.088 153 I CA 1.150 62.363 61.300 -0.145 0.000 1.357 153 I CB -0.323 37.494 38.000 -0.304 0.000 1.051 153 I HN 0.121 nan 8.210 nan 0.000 0.409 154 Y N 0.153 120.153 120.300 -0.500 0.000 2.181 154 Y HA -0.222 4.329 4.550 0.000 0.000 0.288 154 Y C 3.002 178.807 175.900 -0.159 0.000 1.146 154 Y CA 1.122 58.778 58.100 -0.739 0.000 1.164 154 Y CB -1.409 36.426 38.460 -1.041 0.000 0.982 154 Y HN 0.130 nan 8.280 nan 0.000 0.515 155 S N -0.156 115.567 115.700 0.038 0.000 2.356 155 S HA -0.172 4.298 4.470 0.001 0.000 0.223 155 S C 1.763 176.435 174.600 0.120 0.000 1.032 155 S CA 1.589 59.831 58.200 0.070 0.000 1.005 155 S CB -0.364 62.847 63.200 0.018 0.000 0.867 155 S HN 0.404 nan 8.310 nan 0.000 0.449 156 D N -0.303 120.191 120.400 0.158 0.000 2.149 156 D HA -0.102 4.538 4.640 0.001 0.000 0.198 156 D C 1.569 178.036 176.300 0.278 0.000 0.990 156 D CA 1.110 55.245 54.000 0.225 0.000 0.839 156 D CB -0.482 40.505 40.800 0.311 0.000 0.948 156 D HN 0.599 nan 8.370 nan 0.000 0.460 157 Y N 0.907 121.351 120.300 0.241 0.000 2.145 157 Y HA -0.178 4.372 4.550 0.000 0.000 0.286 157 Y C 2.412 178.432 175.900 0.200 0.000 1.145 157 Y CA 1.557 59.816 58.100 0.264 0.000 1.148 157 Y CB -0.161 38.587 38.460 0.480 0.000 0.981 157 Y HN -0.128 nan 8.280 nan 0.000 0.507 158 M N -0.220 119.595 119.600 0.358 0.000 2.175 158 M HA -0.212 4.268 4.480 0.001 0.000 0.264 158 M C 2.044 178.246 176.300 -0.165 0.000 1.063 158 M CA 1.702 57.092 55.300 0.150 0.000 1.119 158 M CB -0.269 32.448 32.600 0.195 0.000 1.377 158 M HN 0.143 nan 8.290 nan 0.000 0.415 159 K N -0.367 119.950 120.400 -0.137 0.000 2.057 159 K HA -0.108 4.212 4.320 0.001 0.000 0.206 159 K C 2.273 178.758 176.600 -0.191 0.000 1.050 159 K CA 1.528 57.695 56.287 -0.199 0.000 0.935 159 K CB -0.268 32.178 32.500 -0.091 0.000 0.715 159 K HN 0.168 nan 8.250 nan 0.000 0.439 160 S N 0.527 116.128 115.700 -0.165 0.000 2.382 160 S HA -0.155 4.316 4.470 0.001 0.000 0.228 160 S C 1.746 176.065 174.600 -0.467 0.000 1.027 160 S CA 0.890 58.964 58.200 -0.211 0.000 0.991 160 S CB -0.287 62.704 63.200 -0.349 0.000 0.823 160 S HN 0.324 nan 8.310 nan 0.000 0.469 161 F N 3.099 122.613 119.950 -0.726 0.000 2.075 161 F HA -0.038 4.489 4.527 0.000 0.000 0.297 161 F C 2.577 178.028 175.800 -0.582 0.000 1.113 161 F CA 1.967 59.327 58.000 -1.066 0.000 1.218 161 F CB -0.498 38.107 39.000 -0.658 0.000 0.984 161 F HN 0.103 nan 8.300 nan 0.000 0.472 162 R N 0.944 121.301 120.500 -0.238 0.000 2.096 162 R HA -0.212 4.128 4.340 0.001 0.000 0.240 162 R C 2.084 178.225 176.300 -0.266 0.000 1.139 162 R CA 2.421 58.398 56.100 -0.205 0.000 0.952 162 R CB -0.737 29.337 30.300 -0.378 0.000 0.854 162 R HN 0.456 nan 8.270 nan 0.000 0.436 163 E N -0.193 119.842 120.200 -0.275 0.000 2.072 163 E HA -0.094 4.256 4.350 0.001 0.000 0.191 163 E C 1.817 178.265 176.600 -0.253 0.000 0.985 163 E CA 1.005 57.278 56.400 -0.211 0.000 0.801 163 E CB -0.081 29.533 29.700 -0.144 0.000 0.750 163 E HN 0.417 nan 8.360 nan 0.000 0.452 164 N N -0.141 118.322 118.700 -0.395 0.000 2.457 164 N HA -0.028 4.712 4.740 0.001 0.000 0.180 164 N C 0.781 176.051 175.510 -0.399 0.000 1.050 164 N CA 0.720 53.539 53.050 -0.385 0.000 0.906 164 N CB 0.317 38.492 38.487 -0.521 0.000 0.968 164 N HN 0.170 nan 8.380 nan 0.000 0.445 165 M N 0.117 119.404 119.600 -0.522 0.000 2.496 165 M HA 0.144 4.625 4.480 0.001 0.000 0.330 165 M C 1.545 177.717 176.300 -0.213 0.000 1.133 165 M CA 0.069 55.146 55.300 -0.371 0.000 0.964 165 M CB -0.307 31.816 32.600 -0.795 0.000 1.401 165 M HN -0.034 nan 8.290 nan 0.000 0.520 166 S N 1.371 116.945 115.700 -0.210 0.000 2.387 166 S HA -0.200 4.270 4.470 0.001 0.000 0.230 166 S C 1.420 175.944 174.600 -0.127 0.000 1.035 166 S CA 1.900 60.019 58.200 -0.135 0.000 1.014 166 S CB -0.580 62.546 63.200 -0.124 0.000 0.836 166 S HN 0.580 nan 8.310 nan 0.000 0.466 167 D N 1.095 121.364 120.400 -0.218 0.000 2.144 167 D HA -0.122 4.518 4.640 0.001 0.000 0.200 167 D C 1.576 177.723 176.300 -0.255 0.000 0.978 167 D CA 0.824 54.657 54.000 -0.278 0.000 0.833 167 D CB -0.799 39.751 40.800 -0.417 0.000 0.961 167 D HN 0.481 nan 8.370 nan 0.000 0.470 168 F N 0.852 120.760 119.950 -0.070 0.000 2.206 168 F HA 0.108 4.635 4.527 0.000 0.000 0.298 168 F C 2.564 178.348 175.800 -0.027 0.000 1.090 168 F CA 0.428 58.401 58.000 -0.045 0.000 1.323 168 F CB -0.574 38.388 39.000 -0.063 0.000 1.028 168 F HN -0.095 nan 8.300 nan 0.000 0.492 169 L N -0.303 120.995 121.223 0.125 0.000 2.056 169 L HA -0.182 4.159 4.340 0.001 0.000 0.207 169 L C 2.272 179.179 176.870 0.061 0.000 1.078 169 L CA 1.437 56.332 54.840 0.092 0.000 0.749 169 L CB -0.634 41.474 42.059 0.081 0.000 0.901 169 L HN 0.131 nan 8.230 nan 0.000 0.433 170 E N -0.240 119.974 120.200 0.023 0.000 2.150 170 E HA -0.173 4.178 4.350 0.001 0.000 0.193 170 E C 2.100 178.711 176.600 0.018 0.000 0.985 170 E CA 1.416 57.821 56.400 0.009 0.000 0.814 170 E CB -0.083 29.605 29.700 -0.021 0.000 0.752 170 E HN 0.497 nan 8.360 nan 0.000 0.466 171 S N -0.374 115.344 115.700 0.029 0.000 2.607 171 S HA 0.122 4.592 4.470 0.001 0.000 0.224 171 S C 1.553 176.195 174.600 0.070 0.000 0.969 171 S CA 0.317 58.544 58.200 0.044 0.000 0.927 171 S CB 0.214 63.446 63.200 0.055 0.000 0.772 171 S HN 0.358 nan 8.310 nan 0.000 0.533 172 G N 0.844 109.689 108.800 0.075 0.000 2.176 172 G HA2 -0.255 3.705 3.960 0.001 0.000 0.252 172 G HA3 -0.255 3.705 3.960 0.001 0.000 0.252 172 G C 0.362 175.322 174.900 0.101 0.000 1.024 172 G CA 0.404 45.550 45.100 0.078 0.000 0.755 172 G HN 0.618 nan 8.290 nan 0.000 0.507 173 L N 0.085 121.385 121.223 0.129 0.000 2.044 173 L HA 0.384 4.724 4.340 0.001 0.000 0.205 173 L C 1.613 178.544 176.870 0.101 0.000 1.075 173 L CA 1.355 56.272 54.840 0.129 0.000 0.747 173 L CB -0.024 42.131 42.059 0.161 0.000 0.903 173 L HN 0.394 nan 8.230 nan 0.000 0.435 174 I N 0.188 120.814 120.570 0.094 0.000 2.352 174 I HA 0.029 4.199 4.170 0.001 0.000 0.290 174 I C 0.902 177.047 176.117 0.047 0.000 1.036 174 I CA -0.342 60.996 61.300 0.064 0.000 1.336 174 I CB 1.085 39.130 38.000 0.075 0.000 1.407 174 I HN 0.118 nan 8.210 nan 0.000 0.497 175 I N 4.577 125.169 120.570 0.037 0.000 2.339 175 I HA -0.059 4.111 4.170 0.001 0.000 0.245 175 I C 0.560 176.683 176.117 0.009 0.000 1.096 175 I CA 1.204 62.535 61.300 0.052 0.000 1.408 175 I CB -0.363 37.688 38.000 0.086 0.000 1.092 175 I HN 0.753 nan 8.210 nan 0.000 0.423 176 D N -1.310 119.053 120.400 -0.063 0.000 2.602 176 D HA 0.367 5.008 4.640 0.001 0.000 0.236 176 D C -0.966 175.219 176.300 -0.191 0.000 1.209 176 D CA -0.507 53.429 54.000 -0.105 0.000 0.831 176 D CB 1.392 42.160 40.800 -0.053 0.000 1.478 176 D HN -0.245 nan 8.370 nan 0.000 0.438 177 I N 1.251 121.659 120.570 -0.269 0.000 2.330 177 I HA 0.219 4.390 4.170 0.001 0.000 0.289 177 I C -0.167 175.801 176.117 -0.249 0.000 1.001 177 I CA -0.598 60.484 61.300 -0.362 0.000 1.193 177 I CB 1.091 38.691 38.000 -0.667 0.000 1.345 177 I HN 0.467 nan 8.210 nan 0.000 0.461 178 E N 5.537 125.606 120.200 -0.218 0.000 2.089 178 E HA 0.191 4.541 4.350 0.001 0.000 0.284 178 E C -0.371 176.131 176.600 -0.163 0.000 1.023 178 E CA -0.435 55.868 56.400 -0.161 0.000 0.819 178 E CB 2.804 32.419 29.700 -0.143 0.000 1.076 178 E HN 0.336 nan 8.360 nan 0.000 0.396 179 V N 3.394 123.238 119.914 -0.117 0.000 2.389 179 V HA 0.337 4.457 4.120 0.001 0.000 0.264 179 V C 0.434 176.493 176.094 -0.059 0.000 1.049 179 V CA -0.257 62.001 62.300 -0.070 0.000 0.932 179 V CB 0.547 32.352 31.823 -0.031 0.000 1.011 179 V HN 0.707 nan 8.190 nan 0.000 0.475 180 G N 5.883 114.654 108.800 -0.048 0.000 2.340 180 G HA2 0.365 4.326 3.960 0.001 0.000 0.245 180 G HA3 0.365 4.326 3.960 0.001 0.000 0.245 180 G C 0.007 174.921 174.900 0.024 0.000 1.294 180 G CA -0.304 44.787 45.100 -0.014 0.000 0.896 180 G HN 0.719 nan 8.290 nan 0.000 0.522 181 L N 1.814 122.988 121.223 -0.082 0.000 3.135 181 L HA 0.463 4.803 4.340 0.001 0.000 0.279 181 L C 1.142 177.830 176.870 -0.304 0.000 1.200 181 L CA 0.624 55.436 54.840 -0.047 0.000 1.016 181 L CB 0.069 42.107 42.059 -0.034 0.000 1.391 181 L HN 0.927 nan 8.230 nan 0.000 0.588 182 G N -1.689 106.640 108.800 -0.785 0.000 2.335 182 G HA2 0.291 4.252 3.960 0.001 0.000 0.291 182 G HA3 0.291 4.252 3.960 0.001 0.000 0.291 182 G C -3.118 171.289 174.900 -0.822 0.000 1.261 182 G CA -0.645 43.625 45.100 -1.383 0.000 0.871 182 G HN -0.280 nan 8.290 nan 0.000 0.491 183 P HA 0.341 nan 4.420 nan 0.000 0.264 183 P C 0.685 177.773 177.300 -0.352 0.000 1.183 183 P CA 1.936 64.895 63.100 -0.235 0.000 0.763 183 P CB 1.060 32.641 31.700 -0.198 0.000 0.807 184 A N 3.600 126.200 122.820 -0.367 0.000 2.816 184 A HA -0.128 4.192 4.320 0.001 0.000 0.270 184 A C 1.606 178.731 177.584 -0.765 0.000 1.413 184 A CA 1.615 53.391 52.037 -0.436 0.000 0.866 184 A CB -2.429 16.479 19.000 -0.154 0.000 1.032 184 A HN 1.053 nan 8.150 nan 0.000 0.642 185 G N -2.202 105.888 108.800 -1.183 0.000 2.184 185 G HA2 -0.263 3.697 3.960 0.001 0.000 0.264 185 G HA3 -0.263 3.697 3.960 0.001 0.000 0.264 185 G C -0.154 174.555 174.900 -0.319 0.000 0.975 185 G CA 1.060 45.778 45.100 -0.636 0.000 0.642 185 G HN 1.256 nan 8.290 nan 0.000 0.536 186 E N -0.608 119.416 120.200 -0.294 0.000 2.242 186 E HA 0.546 4.897 4.350 0.001 0.000 0.275 186 E C 0.014 176.519 176.600 -0.159 0.000 1.002 186 E CA -1.079 55.228 56.400 -0.155 0.000 0.841 186 E CB 1.693 31.346 29.700 -0.078 0.000 1.109 186 E HN 0.166 nan 8.360 nan 0.000 0.394 187 L N 4.587 125.779 121.223 -0.052 0.000 2.448 187 L HA 0.139 4.479 4.340 0.001 0.000 0.278 187 L C -0.370 176.454 176.870 -0.077 0.000 1.201 187 L CA 0.790 55.602 54.840 -0.046 0.000 1.036 187 L CB -1.064 41.022 42.059 0.045 0.000 1.325 187 L HN 0.558 nan 8.230 nan 0.000 0.441 188 R N 1.927 122.257 120.500 -0.282 0.000 2.741 188 R HA 0.365 4.705 4.340 0.001 0.000 0.276 188 R C -1.566 174.413 176.300 -0.535 0.000 1.028 188 R CA -1.009 54.831 56.100 -0.433 0.000 0.865 188 R CB 0.421 30.562 30.300 -0.266 0.000 1.268 188 R HN 0.096 nan 8.270 nan 0.000 0.475 189 Y N 0.647 120.677 120.300 -0.451 0.000 2.335 189 Y HA 0.364 4.915 4.550 0.001 0.000 0.323 189 Y C -1.626 174.015 175.900 -0.431 0.000 1.224 189 Y CA -2.232 55.529 58.100 -0.565 0.000 1.241 189 Y CB 1.127 39.315 38.460 -0.454 0.000 1.235 189 Y HN 0.404 nan 8.280 nan 0.000 0.492 190 P HA 0.038 nan 4.420 nan 0.000 0.220 190 P C 0.128 177.339 177.300 -0.148 0.000 1.806 190 P CA 0.092 63.042 63.100 -0.249 0.000 0.976 190 P CB -0.080 31.555 31.700 -0.109 0.000 1.952 191 S N 0.242 115.890 115.700 -0.085 0.000 2.453 191 S HA -0.124 4.346 4.470 0.001 0.000 0.231 191 S C 0.745 175.406 174.600 0.101 0.000 1.005 191 S CA 0.277 58.537 58.200 0.099 0.000 0.949 191 S CB -1.030 62.259 63.200 0.148 0.000 0.774 191 S HN 0.402 nan 8.310 nan 0.000 0.510 192 Y N 0.582 120.683 120.300 -0.332 0.000 2.658 192 Y HA 0.656 5.207 4.550 0.001 0.000 0.362 192 Y C -3.208 172.330 175.900 -0.604 0.000 1.017 192 Y CA -4.139 53.422 58.100 -0.898 0.000 1.134 192 Y CB 0.008 37.475 38.460 -1.656 0.000 1.144 192 Y HN 0.003 nan 8.280 nan 0.000 0.655 193 P HA 0.174 nan 4.420 nan 0.000 0.287 193 P C -0.020 177.273 177.300 -0.012 0.000 1.307 193 P CA -0.067 62.907 63.100 -0.210 0.000 0.777 193 P CB 2.052 33.621 31.700 -0.219 0.000 0.883 194 Q N 1.830 121.700 119.800 0.116 0.000 2.170 194 Q HA -0.116 4.224 4.340 0.001 0.000 0.203 194 Q C 2.015 178.049 176.000 0.057 0.000 0.976 194 Q CA 2.066 57.977 55.803 0.179 0.000 0.858 194 Q CB -0.199 28.643 28.738 0.174 0.000 0.907 194 Q HN 0.601 nan 8.270 nan 0.000 0.433 195 S N 0.180 115.888 115.700 0.013 0.000 2.469 195 S HA -0.160 4.311 4.470 0.001 0.000 0.238 195 S C 1.387 175.977 174.600 -0.016 0.000 0.998 195 S CA 0.896 59.094 58.200 -0.003 0.000 0.957 195 S CB -0.031 63.164 63.200 -0.008 0.000 0.764 195 S HN 0.371 nan 8.310 nan 0.000 0.514 196 Q N 0.220 119.985 119.800 -0.059 0.000 2.179 196 Q HA 0.389 4.730 4.340 0.001 0.000 0.213 196 Q C 0.950 176.920 176.000 -0.051 0.000 0.833 196 Q CA 0.170 55.932 55.803 -0.069 0.000 0.990 196 Q CB 0.811 29.459 28.738 -0.150 0.000 1.132 196 Q HN 0.718 nan 8.270 nan 0.000 0.493 197 G N 1.055 109.846 108.800 -0.015 0.000 2.157 197 G HA2 -0.256 3.704 3.960 0.001 0.000 0.239 197 G HA3 -0.256 3.704 3.960 0.001 0.000 0.239 197 G C -0.364 174.558 174.900 0.038 0.000 0.982 197 G CA -0.191 44.919 45.100 0.017 0.000 0.650 197 G HN 0.455 nan 8.290 nan 0.000 0.527 198 W N 1.897 123.106 121.300 -0.151 0.000 2.181 198 W HA 0.592 5.252 4.660 0.000 0.000 0.335 198 W C 0.199 176.720 176.519 0.002 0.000 1.310 198 W CA 0.195 57.500 57.345 -0.066 0.000 1.226 198 W CB 0.519 29.918 29.460 -0.101 0.000 1.155 198 W HN 0.233 nan 8.180 nan 0.000 0.565 199 E N 5.739 125.209 120.200 -1.218 0.000 2.308 199 E HA 0.143 4.494 4.350 0.001 0.000 0.275 199 E C -1.462 174.175 176.600 -1.605 0.000 0.890 199 E CA -1.248 54.427 56.400 -1.207 0.000 0.754 199 E CB 1.794 31.181 29.700 -0.521 0.000 1.207 199 E HN 0.352 nan 8.360 nan 0.000 0.426 200 F N 5.101 124.090 119.950 -1.602 0.000 2.607 200 F HA 0.107 4.635 4.527 0.001 0.000 0.374 200 F C -1.556 173.880 175.800 -0.607 0.000 1.104 200 F CA -1.035 56.331 58.000 -1.057 0.000 1.296 200 F CB 0.745 39.293 39.000 -0.753 0.000 1.085 200 F HN 0.241 nan 8.300 nan 0.000 0.584 201 P HA 0.234 nan 4.420 nan 0.000 0.223 201 P C -0.125 177.091 177.300 -0.140 0.000 1.878 201 P CA -0.225 62.090 63.100 -1.308 0.000 1.038 201 P CB 0.154 30.845 31.700 -1.682 0.000 1.774 202 G N 1.392 110.171 108.800 -0.035 0.000 2.484 202 G HA2 0.087 4.048 3.960 0.001 0.000 0.235 202 G HA3 0.087 4.048 3.960 0.001 0.000 0.235 202 G C 1.193 176.552 174.900 0.764 0.000 1.282 202 G CA -0.562 44.752 45.100 0.355 0.000 0.857 202 G HN 0.391 nan 8.290 nan 0.000 0.571 203 I N 0.298 121.129 120.570 0.435 0.000 2.614 203 I HA 0.281 4.452 4.170 0.001 0.000 0.258 203 I C 1.230 177.472 176.117 0.208 0.000 1.189 203 I CA 0.622 62.041 61.300 0.199 0.000 1.462 203 I CB -0.786 37.039 38.000 -0.291 0.000 1.092 203 I HN 0.973 nan 8.210 nan 0.000 0.442 204 G N 1.206 110.233 108.800 0.379 0.000 2.728 204 G HA2 -0.158 3.802 3.960 0.001 0.000 0.294 204 G HA3 -0.158 3.802 3.960 0.001 0.000 0.294 204 G C -0.826 174.106 174.900 0.053 0.000 1.342 204 G CA -0.350 44.953 45.100 0.339 0.000 0.866 204 G HN 0.557 nan 8.290 nan 0.000 0.534 205 E N -1.151 119.047 120.200 -0.004 0.000 2.340 205 E HA 0.546 4.897 4.350 0.001 0.000 0.273 205 E C -0.817 175.691 176.600 -0.153 0.000 0.891 205 E CA -0.873 55.362 56.400 -0.275 0.000 0.757 205 E CB 1.542 30.893 29.700 -0.582 0.000 1.231 205 E HN 0.314 nan 8.360 nan 0.000 0.439 206 F N 1.560 121.484 119.950 -0.045 0.000 2.518 206 F HA 0.042 4.570 4.527 0.001 0.000 0.359 206 F C 1.206 177.069 175.800 0.104 0.000 1.118 206 F CA 0.078 58.028 58.000 -0.083 0.000 1.287 206 F CB 0.510 39.337 39.000 -0.289 0.000 1.132 206 F HN 0.180 nan 8.300 nan 0.000 0.587 207 Q N 3.023 122.988 119.800 0.276 0.000 2.647 207 Q HA 0.208 4.549 4.340 0.001 0.000 0.400 207 Q C -0.088 176.098 176.000 0.311 0.000 0.959 207 Q CA 0.015 55.992 55.803 0.290 0.000 1.079 207 Q CB 0.720 29.538 28.738 0.133 0.000 1.351 207 Q HN 0.788 nan 8.270 nan 0.000 0.411 208 C N -2.338 117.088 119.300 0.211 0.000 2.741 208 C HA 0.459 4.919 4.460 0.001 0.000 0.267 208 C C 0.608 175.545 174.990 -0.089 0.000 1.549 208 C CA -0.675 58.429 59.018 0.144 0.000 1.772 208 C CB -1.565 26.292 27.740 0.195 0.000 2.962 208 C HN 0.371 nan 8.230 nan 0.000 0.514 209 Y N 1.782 122.214 120.300 0.221 0.000 2.458 209 Y HA 0.187 4.737 4.550 0.001 0.000 0.256 209 Y C 1.038 177.043 175.900 0.174 0.000 1.159 209 Y CA -0.549 57.643 58.100 0.153 0.000 1.261 209 Y CB -0.326 38.187 38.460 0.088 0.000 1.119 209 Y HN 0.531 nan 8.280 nan 0.000 0.524 210 D N 0.140 120.740 120.400 0.333 0.000 2.368 210 D HA -0.007 4.634 4.640 0.001 0.000 0.240 210 D C 1.279 177.692 176.300 0.189 0.000 1.169 210 D CA -0.400 53.766 54.000 0.277 0.000 0.906 210 D CB 0.832 41.826 40.800 0.324 0.000 1.187 210 D HN 0.273 nan 8.370 nan 0.000 0.435 211 K N 0.252 120.687 120.400 0.058 0.000 2.209 211 K HA -0.261 4.060 4.320 0.001 0.000 0.204 211 K C 1.181 177.709 176.600 -0.120 0.000 1.048 211 K CA 1.067 57.303 56.287 -0.085 0.000 0.940 211 K CB -0.450 31.904 32.500 -0.244 0.000 0.729 211 K HN 0.534 nan 8.250 nan 0.000 0.451 212 Y N 1.535 121.912 120.300 0.129 0.000 2.184 212 Y HA -0.030 4.520 4.550 0.001 0.000 0.290 212 Y C 2.239 178.264 175.900 0.208 0.000 1.129 212 Y CA 0.972 59.153 58.100 0.135 0.000 1.144 212 Y CB -0.279 38.241 38.460 0.100 0.000 0.995 212 Y HN -0.094 nan 8.280 nan 0.000 0.513 213 L N -0.017 121.451 121.223 0.408 0.000 2.093 213 L HA -0.197 4.144 4.340 0.001 0.000 0.208 213 L C 2.485 179.632 176.870 0.462 0.000 1.085 213 L CA 1.389 56.529 54.840 0.501 0.000 0.755 213 L CB -0.462 41.903 42.059 0.510 0.000 0.904 213 L HN 0.181 nan 8.230 nan 0.000 0.435 214 K N 0.542 121.103 120.400 0.269 0.000 2.057 214 K HA -0.188 4.133 4.320 0.001 0.000 0.207 214 K C 2.119 178.824 176.600 0.174 0.000 1.049 214 K CA 1.396 57.781 56.287 0.164 0.000 0.931 214 K CB -0.031 32.533 32.500 0.107 0.000 0.714 214 K HN 0.261 nan 8.250 nan 0.000 0.440 215 A N 1.024 123.938 122.820 0.156 0.000 1.930 215 A HA -0.190 4.131 4.320 0.001 0.000 0.217 215 A C 1.787 179.464 177.584 0.154 0.000 1.175 215 A CA 1.982 54.091 52.037 0.119 0.000 0.627 215 A CB -0.657 18.394 19.000 0.085 0.000 0.815 215 A HN 0.539 nan 8.150 nan 0.000 0.443 216 D N -1.406 119.151 120.400 0.262 0.000 2.117 216 D HA -0.176 4.464 4.640 0.001 0.000 0.197 216 D C 1.613 178.052 176.300 0.232 0.000 0.987 216 D CA 1.476 55.672 54.000 0.328 0.000 0.829 216 D CB -0.233 40.883 40.800 0.527 0.000 0.961 216 D HN 0.366 nan 8.370 nan 0.000 0.460 217 F N 1.269 121.162 119.950 -0.095 0.000 2.102 217 F HA -0.081 4.447 4.527 0.001 0.000 0.298 217 F C 1.986 177.642 175.800 -0.241 0.000 1.105 217 F CA 1.252 58.879 58.000 -0.622 0.000 1.239 217 F CB -0.090 38.328 39.000 -0.970 0.000 0.991 217 F HN -0.173 nan 8.300 nan 0.000 0.474 218 K N 0.526 120.828 120.400 -0.163 0.000 2.103 218 K HA -0.129 4.192 4.320 0.001 0.000 0.207 218 K C 2.287 178.771 176.600 -0.192 0.000 1.048 218 K CA 1.244 57.415 56.287 -0.193 0.000 0.930 218 K CB -0.927 31.558 32.500 -0.025 0.000 0.716 218 K HN 0.395 nan 8.250 nan 0.000 0.444 219 A N 1.431 124.195 122.820 -0.093 0.000 1.930 219 A HA -0.033 4.287 4.320 0.001 0.000 0.217 219 A C 2.417 179.961 177.584 -0.068 0.000 1.175 219 A CA 1.764 53.770 52.037 -0.052 0.000 0.627 219 A CB -0.478 18.537 19.000 0.024 0.000 0.815 219 A HN 0.301 nan 8.150 nan 0.000 0.443 220 A N 0.081 122.861 122.820 -0.066 0.000 1.877 220 A HA -0.023 4.298 4.320 0.001 0.000 0.216 220 A C 2.316 179.859 177.584 -0.069 0.000 1.186 220 A CA 2.230 54.290 52.037 0.039 0.000 0.620 220 A CB -1.278 17.808 19.000 0.144 0.000 0.822 220 A HN 1.140 nan 8.150 nan 0.000 0.443 221 V N -2.466 117.239 119.914 -0.348 0.000 2.626 221 V HA -0.002 4.118 4.120 0.001 0.000 0.252 221 V C 2.460 178.291 176.094 -0.437 0.000 1.067 221 V CA 1.718 63.703 62.300 -0.525 0.000 1.081 221 V CB -1.411 30.087 31.823 -0.540 0.000 0.686 221 V HN 0.502 nan 8.190 nan 0.000 0.468 222 A N 0.865 123.503 122.820 -0.304 0.000 1.898 222 A HA -0.097 4.224 4.320 0.001 0.000 0.216 222 A C 2.417 179.869 177.584 -0.221 0.000 1.181 222 A CA 1.695 53.583 52.037 -0.249 0.000 0.620 222 A CB -0.561 18.338 19.000 -0.168 0.000 0.819 222 A HN 0.543 nan 8.150 nan 0.000 0.442 223 R N -0.559 119.849 120.500 -0.152 0.000 2.237 223 R HA 0.025 4.366 4.340 0.001 0.000 0.219 223 R C 1.879 178.104 176.300 -0.126 0.000 1.080 223 R CA 0.832 56.874 56.100 -0.098 0.000 0.995 223 R CB -0.268 30.023 30.300 -0.015 0.000 0.875 223 R HN 0.488 nan 8.270 nan 0.000 0.462 224 A N -0.007 122.682 122.820 -0.220 0.000 2.251 224 A HA 0.247 4.567 4.320 0.001 0.000 0.209 224 A C 1.344 178.700 177.584 -0.380 0.000 1.187 224 A CA 0.696 52.576 52.037 -0.262 0.000 0.823 224 A CB 0.157 18.863 19.000 -0.490 0.000 0.846 224 A HN 0.398 nan 8.150 nan 0.000 0.486 225 G N -1.250 107.284 108.800 -0.443 0.000 2.141 225 G HA2 -0.187 3.774 3.960 0.001 0.000 0.231 225 G HA3 -0.187 3.774 3.960 0.001 0.000 0.231 225 G C -0.010 174.310 174.900 -0.966 0.000 0.984 225 G CA 0.268 45.014 45.100 -0.592 0.000 0.660 225 G HN 0.656 nan 8.290 nan 0.000 0.525 226 H N -0.167 118.450 119.070 -0.754 0.000 2.439 226 H HA 0.213 4.769 4.556 0.001 0.000 0.230 226 H C -1.776 173.113 175.328 -0.732 0.000 1.420 226 H CA -0.607 54.830 56.048 -1.018 0.000 1.305 226 H CB 1.508 29.912 29.762 -2.263 0.000 1.667 226 H HN 0.256 nan 8.280 nan 0.000 0.515 227 P HA -0.168 nan 4.420 nan 0.000 0.223 227 P C 1.298 178.508 177.300 -0.150 0.000 1.144 227 P CA 1.069 64.023 63.100 -0.243 0.000 0.783 227 P CB 0.438 32.023 31.700 -0.192 0.000 0.771 228 E N -1.431 118.686 120.200 -0.139 0.000 2.435 228 E HA -0.108 4.242 4.350 0.001 0.000 0.195 228 E C 0.303 176.985 176.600 0.137 0.000 1.029 228 E CA 0.057 56.449 56.400 -0.013 0.000 0.865 228 E CB -0.754 28.944 29.700 -0.004 0.000 0.833 228 E HN 0.158 nan 8.360 nan 0.000 0.510 229 W N 2.519 123.789 121.300 -0.050 0.000 2.223 229 W HA 0.166 4.826 4.660 0.001 0.000 0.334 229 W C 0.819 177.385 176.519 0.077 0.000 1.334 229 W CA -0.376 56.957 57.345 -0.019 0.000 1.246 229 W CB 0.264 29.679 29.460 -0.075 0.000 1.184 229 W HN -0.048 nan 8.180 nan 0.000 0.563 230 E N 1.712 122.101 120.200 0.314 0.000 2.299 230 E HA 0.350 4.701 4.350 0.001 0.000 0.260 230 E C -0.133 176.487 176.600 0.032 0.000 0.944 230 E CA -1.189 55.348 56.400 0.228 0.000 0.815 230 E CB 1.794 31.543 29.700 0.082 0.000 1.252 230 E HN -0.035 nan 8.360 nan 0.000 0.418 231 L N 1.583 122.669 121.223 -0.228 0.000 2.482 231 L HA 0.174 4.514 4.340 0.001 0.000 0.273 231 L C -1.929 174.602 176.870 -0.565 0.000 1.228 231 L CA -1.283 53.107 54.840 -0.749 0.000 0.827 231 L CB -1.112 40.513 42.059 -0.723 0.000 1.099 231 L HN 0.177 nan 8.230 nan 0.000 0.494 232 P HA 0.002 nan 4.420 nan 0.000 0.262 232 P C -0.296 176.840 177.300 -0.273 0.000 1.182 232 P CA 0.299 63.029 63.100 -0.618 0.000 0.761 232 P CB 0.369 31.430 31.700 -1.067 0.000 0.795 233 D N 0.898 121.193 120.400 -0.176 0.000 2.527 233 D HA -0.004 4.636 4.640 0.001 0.000 0.224 233 D C -0.044 176.203 176.300 -0.089 0.000 1.217 233 D CA 0.041 53.975 54.000 -0.110 0.000 0.819 233 D CB -0.153 40.602 40.800 -0.076 0.000 1.061 233 D HN 0.290 nan 8.370 nan 0.000 0.515 234 D N -0.079 120.274 120.400 -0.079 0.000 2.673 234 D HA 0.272 4.912 4.640 0.001 0.000 0.278 234 D C 0.828 177.117 176.300 -0.019 0.000 1.393 234 D CA -0.446 53.535 54.000 -0.032 0.000 0.805 234 D CB 0.128 40.929 40.800 0.002 0.000 1.110 234 D HN 0.107 nan 8.370 nan 0.000 0.476 235 A N 0.165 122.923 122.820 -0.104 0.000 2.275 235 A HA 0.630 4.950 4.320 0.001 0.000 0.212 235 A C 1.435 179.003 177.584 -0.027 0.000 1.201 235 A CA 0.501 52.461 52.037 -0.128 0.000 0.843 235 A CB -0.382 18.427 19.000 -0.320 0.000 0.873 235 A HN 0.678 nan 8.150 nan 0.000 0.492 236 G N -0.213 108.556 108.800 -0.050 0.000 2.584 236 G HA2 -0.143 3.817 3.960 0.001 0.000 0.229 236 G HA3 -0.143 3.817 3.960 0.001 0.000 0.229 236 G C -0.468 174.370 174.900 -0.103 0.000 1.320 236 G CA -0.037 45.035 45.100 -0.047 0.000 0.891 236 G HN 0.441 nan 8.290 nan 0.000 0.573 237 K N -1.087 119.265 120.400 -0.081 0.000 2.352 237 K HA 0.562 4.883 4.320 0.001 0.000 0.240 237 K C 1.076 177.654 176.600 -0.037 0.000 1.017 237 K CA -0.885 55.327 56.287 -0.124 0.000 0.851 237 K CB 0.851 33.324 32.500 -0.046 0.000 1.261 237 K HN 0.425 nan 8.250 nan 0.000 0.451 238 Y N 1.134 121.495 120.300 0.101 0.000 2.062 238 Y HA -0.271 4.280 4.550 0.001 0.000 0.276 238 Y C 1.522 177.576 175.900 0.255 0.000 1.189 238 Y CA 2.073 60.310 58.100 0.228 0.000 1.130 238 Y CB -0.565 38.075 38.460 0.299 0.000 0.959 238 Y HN 0.639 nan 8.280 nan 0.000 0.499 239 N N -0.211 118.663 118.700 0.289 0.000 2.314 239 N HA -0.021 4.719 4.740 0.001 0.000 0.200 239 N C -0.329 175.229 175.510 0.080 0.000 1.135 239 N CA -0.293 52.836 53.050 0.132 0.000 0.835 239 N CB 0.121 38.634 38.487 0.043 0.000 0.989 239 N HN 0.242 nan 8.380 nan 0.000 0.478 240 D N 0.598 121.041 120.400 0.071 0.000 2.371 240 D HA 0.089 4.729 4.640 0.001 0.000 0.242 240 D C -0.281 176.001 176.300 -0.030 0.000 1.218 240 D CA 0.067 54.075 54.000 0.012 0.000 0.945 240 D CB 1.744 42.539 40.800 -0.008 0.000 1.137 240 D HN -0.225 nan 8.370 nan 0.000 0.464 241 V N 1.813 121.670 119.914 -0.095 0.000 2.667 241 V HA 0.218 4.339 4.120 0.001 0.000 0.308 241 V C -1.485 174.383 176.094 -0.377 0.000 1.048 241 V CA -1.989 60.153 62.300 -0.264 0.000 0.928 241 V CB 1.995 33.758 31.823 -0.099 0.000 1.004 241 V HN 0.383 nan 8.190 nan 0.000 0.444 242 P HA -0.218 nan 4.420 nan 0.000 0.215 242 P C 1.172 178.374 177.300 -0.164 0.000 1.157 242 P CA 1.776 64.611 63.100 -0.442 0.000 0.874 242 P CB 0.042 31.329 31.700 -0.688 0.000 0.790 243 E N 0.856 120.953 120.200 -0.171 0.000 2.401 243 E HA -0.111 4.240 4.350 0.001 0.000 0.199 243 E C 1.362 177.945 176.600 -0.028 0.000 1.023 243 E CA 1.392 57.755 56.400 -0.061 0.000 0.859 243 E CB -0.917 28.758 29.700 -0.041 0.000 0.780 243 E HN 0.364 nan 8.360 nan 0.000 0.523 244 S N 0.225 115.901 115.700 -0.040 0.000 2.597 244 S HA 0.073 4.543 4.470 0.001 0.000 0.224 244 S C 0.620 175.222 174.600 0.004 0.000 0.955 244 S CA -0.055 58.136 58.200 -0.015 0.000 0.933 244 S CB -0.217 62.971 63.200 -0.020 0.000 0.788 244 S HN 0.327 nan 8.310 nan 0.000 0.488 245 T N -3.258 111.313 114.554 0.029 0.000 2.908 245 T HA 0.704 5.055 4.350 0.001 0.000 0.290 245 T C 1.157 175.892 174.700 0.058 0.000 1.034 245 T CA -0.210 61.925 62.100 0.058 0.000 1.010 245 T CB 1.352 70.303 68.868 0.138 0.000 1.068 245 T HN 0.049 nan 8.240 nan 0.000 0.481 246 G N 0.112 108.937 108.800 0.042 0.000 2.464 246 G HA2 0.002 3.963 3.960 0.001 0.000 0.217 246 G HA3 0.002 3.963 3.960 0.001 0.000 0.217 246 G C 0.950 175.864 174.900 0.022 0.000 1.138 246 G CA -0.011 45.104 45.100 0.025 0.000 0.793 246 G HN 0.682 nan 8.290 nan 0.000 0.539 247 F N 0.431 120.284 119.950 -0.162 0.000 2.163 247 F HA 0.183 4.710 4.527 0.001 0.000 0.297 247 F C 1.691 177.313 175.800 -0.296 0.000 1.094 247 F CA 0.998 58.811 58.000 -0.312 0.000 1.290 247 F CB 0.177 38.826 39.000 -0.585 0.000 1.017 247 F HN 0.103 nan 8.300 nan 0.000 0.483 248 F N 0.704 120.729 119.950 0.125 0.000 2.695 248 F HA 0.166 4.694 4.527 0.001 0.000 0.303 248 F C 1.014 176.746 175.800 -0.114 0.000 1.091 248 F CA -0.412 57.507 58.000 -0.135 0.000 1.300 248 F CB -0.835 38.058 39.000 -0.178 0.000 1.071 248 F HN -0.200 nan 8.300 nan 0.000 0.578 249 K N 0.062 120.542 120.400 0.134 0.000 2.149 249 K HA 0.216 4.537 4.320 0.001 0.000 0.245 249 K C 0.660 177.359 176.600 0.166 0.000 1.024 249 K CA -0.427 55.919 56.287 0.099 0.000 0.899 249 K CB 0.514 33.049 32.500 0.058 0.000 1.038 249 K HN -0.058 nan 8.250 nan 0.000 0.496 250 S N 1.355 117.128 115.700 0.122 0.000 2.546 250 S HA -0.050 4.421 4.470 0.001 0.000 0.290 250 S C 0.037 174.685 174.600 0.081 0.000 1.290 250 S CA 0.152 58.428 58.200 0.127 0.000 1.069 250 S CB -0.683 62.562 63.200 0.074 0.000 0.846 250 S HN 0.837 nan 8.310 nan 0.000 0.495 251 N N 1.656 120.385 118.700 0.047 0.000 2.741 251 N HA -0.135 4.605 4.740 0.001 0.000 0.251 251 N C 0.364 175.842 175.510 -0.055 0.000 1.112 251 N CA 1.123 54.148 53.050 -0.041 0.000 0.750 251 N CB -1.743 36.727 38.487 -0.028 0.000 1.119 251 N HN 0.766 nan 8.380 nan 0.000 0.561 252 G N -0.453 108.354 108.800 0.010 0.000 2.516 252 G HA2 0.239 4.200 3.960 0.001 0.000 0.276 252 G HA3 0.239 4.200 3.960 0.001 0.000 0.276 252 G C 1.126 175.919 174.900 -0.179 0.000 1.390 252 G CA 0.623 45.710 45.100 -0.023 0.000 1.050 252 G HN 0.140 nan 8.290 nan 0.000 0.519 253 T N -0.154 114.232 114.554 -0.280 0.000 2.833 253 T HA -0.202 4.148 4.350 0.001 0.000 0.269 253 T C 2.022 176.301 174.700 -0.702 0.000 1.054 253 T CA 2.087 63.913 62.100 -0.456 0.000 1.135 253 T CB -0.436 68.187 68.868 -0.409 0.000 0.869 253 T HN 0.613 nan 8.240 nan 0.000 0.466 254 Y N 0.674 120.283 120.300 -1.151 0.000 2.483 254 Y HA 0.118 4.668 4.550 0.001 0.000 0.291 254 Y C 1.729 177.441 175.900 -0.314 0.000 1.143 254 Y CA -0.098 57.468 58.100 -0.890 0.000 1.289 254 Y CB -0.784 37.299 38.460 -0.629 0.000 0.983 254 Y HN 0.055 nan 8.280 nan 0.000 0.556 255 V N 0.872 120.304 119.914 -0.803 0.000 3.621 255 V HA 0.032 4.153 4.120 0.001 0.000 0.285 255 V C 1.035 176.937 176.094 -0.321 0.000 1.346 255 V CA 0.785 62.708 62.300 -0.628 0.000 1.104 255 V CB -0.674 30.715 31.823 -0.722 0.000 0.913 255 V HN 0.643 nan 8.190 nan 0.000 0.432 256 T N -3.101 111.276 114.554 -0.296 0.000 2.874 256 T HA 0.191 4.541 4.350 0.001 0.000 0.281 256 T C 1.078 175.675 174.700 -0.173 0.000 0.994 256 T CA -0.196 61.778 62.100 -0.210 0.000 1.015 256 T CB 1.480 70.211 68.868 -0.228 0.000 1.028 256 T HN 0.284 nan 8.240 nan 0.000 0.523 257 E N 0.292 120.419 120.200 -0.122 0.000 2.118 257 E HA -0.227 4.123 4.350 0.001 0.000 0.195 257 E C 2.020 178.467 176.600 -0.254 0.000 0.992 257 E CA 1.341 57.708 56.400 -0.054 0.000 0.804 257 E CB -0.057 29.678 29.700 0.060 0.000 0.741 257 E HN 0.761 nan 8.360 nan 0.000 0.458 258 K N -0.377 119.652 120.400 -0.617 0.000 2.025 258 K HA -0.108 4.212 4.320 0.001 0.000 0.207 258 K C 2.128 178.431 176.600 -0.496 0.000 1.049 258 K CA 1.439 56.980 56.287 -1.244 0.000 0.933 258 K CB -0.335 31.393 32.500 -1.286 0.000 0.714 258 K HN 0.165 nan 8.250 nan 0.000 0.438 259 G N 1.290 109.911 108.800 -0.298 0.000 2.418 259 G HA2 -0.227 3.734 3.960 0.001 0.000 0.217 259 G HA3 -0.227 3.734 3.960 0.001 0.000 0.217 259 G C 1.307 176.229 174.900 0.036 0.000 1.158 259 G CA 0.700 45.736 45.100 -0.106 0.000 0.771 259 G HN 0.292 nan 8.290 nan 0.000 0.545 260 K N -0.614 119.794 120.400 0.013 0.000 2.097 260 K HA -0.027 4.294 4.320 0.001 0.000 0.206 260 K C 2.145 178.849 176.600 0.173 0.000 1.049 260 K CA 1.005 57.371 56.287 0.132 0.000 0.933 260 K CB -0.284 32.306 32.500 0.151 0.000 0.717 260 K HN 0.339 nan 8.250 nan 0.000 0.442 261 F N 1.080 121.070 119.950 0.066 0.000 2.102 261 F HA -0.214 4.313 4.527 0.001 0.000 0.298 261 F C 2.058 178.004 175.800 0.243 0.000 1.105 261 F CA 1.180 59.287 58.000 0.178 0.000 1.239 261 F CB -0.329 38.809 39.000 0.230 0.000 0.991 261 F HN -0.041 nan 8.300 nan 0.000 0.474 262 F N 0.961 121.038 119.950 0.212 0.000 2.069 262 F HA -0.216 4.312 4.527 0.001 0.000 0.298 262 F C 1.894 177.707 175.800 0.020 0.000 1.113 262 F CA 1.925 60.012 58.000 0.145 0.000 1.214 262 F CB -0.883 38.056 39.000 -0.100 0.000 0.978 262 F HN -0.039 nan 8.300 nan 0.000 0.474 263 L N -0.356 120.616 121.223 -0.419 0.000 2.127 263 L HA -0.232 4.108 4.340 0.001 0.000 0.211 263 L C 2.301 178.847 176.870 -0.541 0.000 1.089 263 L CA 1.740 56.138 54.840 -0.736 0.000 0.757 263 L CB -1.202 40.219 42.059 -1.062 0.000 0.899 263 L HN 0.212 nan 8.230 nan 0.000 0.434 264 T N -1.490 112.926 114.554 -0.230 0.000 2.812 264 T HA -0.219 4.132 4.350 0.001 0.000 0.264 264 T C 1.347 176.012 174.700 -0.059 0.000 1.042 264 T CA 1.298 63.407 62.100 0.015 0.000 1.140 264 T CB -0.343 68.557 68.868 0.052 0.000 0.870 264 T HN 0.521 nan 8.240 nan 0.000 0.445 265 W N 0.965 122.071 121.300 -0.323 0.000 2.355 265 W HA -0.197 4.464 4.660 0.001 0.000 0.309 265 W C 2.073 178.516 176.519 -0.128 0.000 1.206 265 W CA 0.851 58.062 57.345 -0.223 0.000 1.284 265 W CB -0.680 28.681 29.460 -0.164 0.000 1.145 265 W HN 0.245 nan 8.180 nan 0.000 0.502 266 Y N 1.918 121.946 120.300 -0.454 0.000 2.128 266 Y HA -0.288 4.263 4.550 0.001 0.000 0.284 266 Y C 2.919 178.621 175.900 -0.330 0.000 1.154 266 Y CA 2.984 60.692 58.100 -0.653 0.000 1.149 266 Y CB -0.988 36.934 38.460 -0.896 0.000 0.976 266 Y HN 0.073 nan 8.280 nan 0.000 0.505 267 S N -0.881 114.718 115.700 -0.169 0.000 2.406 267 S HA -0.156 4.314 4.470 0.001 0.000 0.228 267 S C 1.727 176.250 174.600 -0.128 0.000 1.020 267 S CA 1.176 59.312 58.200 -0.107 0.000 0.965 267 S CB -0.836 62.404 63.200 0.067 0.000 0.798 267 S HN 0.613 nan 8.310 nan 0.000 0.488 268 N N 1.442 120.052 118.700 -0.150 0.000 2.244 268 N HA -0.040 4.700 4.740 0.001 0.000 0.183 268 N C 1.498 176.902 175.510 -0.177 0.000 1.016 268 N CA 0.875 53.849 53.050 -0.128 0.000 0.866 268 N CB -0.026 38.397 38.487 -0.108 0.000 0.980 268 N HN 0.266 nan 8.380 nan 0.000 0.430 269 K N 1.198 121.411 120.400 -0.312 0.000 2.103 269 K HA -0.093 4.227 4.320 0.001 0.000 0.207 269 K C 1.971 178.460 176.600 -0.186 0.000 1.048 269 K CA 0.746 56.864 56.287 -0.281 0.000 0.930 269 K CB -0.489 31.768 32.500 -0.406 0.000 0.716 269 K HN 0.312 nan 8.250 nan 0.000 0.444 270 L N 0.462 121.540 121.223 -0.241 0.000 2.044 270 L HA -0.119 4.221 4.340 0.001 0.000 0.205 270 L C 2.485 179.330 176.870 -0.041 0.000 1.075 270 L CA 0.789 55.508 54.840 -0.202 0.000 0.747 270 L CB -0.511 41.368 42.059 -0.299 0.000 0.903 270 L HN 0.077 nan 8.230 nan 0.000 0.435 271 L N -0.126 121.073 121.223 -0.039 0.000 2.013 271 L HA -0.268 4.073 4.340 0.001 0.000 0.212 271 L C 2.408 179.287 176.870 0.016 0.000 1.073 271 L CA 1.351 56.192 54.840 0.002 0.000 0.753 271 L CB -0.686 41.373 42.059 -0.001 0.000 0.890 271 L HN 0.405 nan 8.230 nan 0.000 0.432 272 N N -1.060 117.646 118.700 0.009 0.000 2.244 272 N HA -0.205 4.535 4.740 0.001 0.000 0.183 272 N C 1.804 177.344 175.510 0.049 0.000 1.016 272 N CA 1.188 54.253 53.050 0.026 0.000 0.866 272 N CB -0.336 38.161 38.487 0.016 0.000 0.980 272 N HN 0.444 nan 8.380 nan 0.000 0.430 273 H N 0.362 119.405 119.070 -0.045 0.000 2.321 273 H HA -0.023 4.533 4.556 0.001 0.000 0.300 273 H C 2.043 177.357 175.328 -0.023 0.000 1.087 273 H CA 2.213 58.243 56.048 -0.029 0.000 1.319 273 H CB -0.585 29.147 29.762 -0.050 0.000 1.379 273 H HN 0.184 nan 8.280 nan 0.000 0.501 274 G N -0.528 108.247 108.800 -0.042 0.000 2.402 274 G HA2 -0.291 3.669 3.960 0.001 0.000 0.216 274 G HA3 -0.291 3.669 3.960 0.001 0.000 0.216 274 G C 1.557 176.388 174.900 -0.115 0.000 1.162 274 G CA 0.939 45.971 45.100 -0.113 0.000 0.777 274 G HN 0.510 nan 8.290 nan 0.000 0.539 275 D N 0.277 120.662 120.400 -0.024 0.000 2.117 275 D HA -0.084 4.557 4.640 0.001 0.000 0.197 275 D C 2.661 178.974 176.300 0.022 0.000 0.987 275 D CA 1.079 55.118 54.000 0.066 0.000 0.829 275 D CB -0.150 40.714 40.800 0.108 0.000 0.961 275 D HN 0.419 nan 8.370 nan 0.000 0.460 276 Q N -0.483 119.305 119.800 -0.020 0.000 2.119 276 Q HA -0.033 4.307 4.340 0.001 0.000 0.201 276 Q C 2.423 178.380 176.000 -0.073 0.000 0.972 276 Q CA 0.863 56.651 55.803 -0.025 0.000 0.847 276 Q CB 0.092 28.818 28.738 -0.021 0.000 0.903 276 Q HN 0.407 nan 8.270 nan 0.000 0.433 277 I N -0.015 120.467 120.570 -0.147 0.000 2.353 277 I HA -0.213 3.957 4.170 0.001 0.000 0.248 277 I C 1.706 177.734 176.117 -0.148 0.000 1.119 277 I CA 0.428 61.640 61.300 -0.147 0.000 1.417 277 I CB -0.015 37.846 38.000 -0.232 0.000 1.078 277 I HN 0.188 nan 8.210 nan 0.000 0.421 278 L N 0.416 121.484 121.223 -0.257 0.000 2.131 278 L HA -0.226 4.114 4.340 0.001 0.000 0.210 278 L C 2.043 178.718 176.870 -0.324 0.000 1.092 278 L CA 1.766 56.350 54.840 -0.428 0.000 0.759 278 L CB -0.954 40.546 42.059 -0.931 0.000 0.903 278 L HN 0.220 nan 8.230 nan 0.000 0.435 279 D N -0.545 119.768 120.400 -0.145 0.000 2.123 279 D HA -0.172 4.468 4.640 0.001 0.000 0.196 279 D C 2.024 178.347 176.300 0.039 0.000 0.992 279 D CA 0.992 55.034 54.000 0.071 0.000 0.833 279 D CB 0.221 41.083 40.800 0.102 0.000 0.954 279 D HN 0.318 nan 8.370 nan 0.000 0.455 280 E N 0.630 120.833 120.200 0.005 0.000 2.106 280 E HA -0.081 4.269 4.350 0.001 0.000 0.192 280 E C 2.080 178.705 176.600 0.041 0.000 0.984 280 E CA 0.636 57.046 56.400 0.017 0.000 0.806 280 E CB -0.296 29.407 29.700 0.005 0.000 0.750 280 E HN 0.205 nan 8.360 nan 0.000 0.458 281 A N 1.983 124.838 122.820 0.059 0.000 1.933 281 A HA -0.202 4.119 4.320 0.001 0.000 0.218 281 A C 2.075 179.792 177.584 0.222 0.000 1.175 281 A CA 1.583 53.724 52.037 0.172 0.000 0.628 281 A CB -0.652 18.430 19.000 0.136 0.000 0.814 281 A HN 0.255 nan 8.150 nan 0.000 0.444 282 N N -0.012 118.770 118.700 0.135 0.000 2.120 282 N HA -0.161 4.579 4.740 0.001 0.000 0.188 282 N C 1.629 177.215 175.510 0.127 0.000 1.024 282 N CA 1.573 54.720 53.050 0.162 0.000 0.852 282 N CB -0.175 38.421 38.487 0.181 0.000 1.003 282 N HN 0.534 nan 8.380 nan 0.000 0.424 283 K N 0.398 120.844 120.400 0.077 0.000 2.097 283 K HA 0.000 4.321 4.320 0.001 0.000 0.205 283 K C 2.133 178.719 176.600 -0.023 0.000 1.050 283 K CA 1.054 57.361 56.287 0.033 0.000 0.938 283 K CB -0.106 32.407 32.500 0.021 0.000 0.718 283 K HN 0.184 nan 8.250 nan 0.000 0.442 284 A N 0.629 123.400 122.820 -0.082 0.000 1.930 284 A HA -0.092 4.228 4.320 0.001 0.000 0.217 284 A C 1.379 178.681 177.584 -0.469 0.000 1.175 284 A CA 1.224 53.076 52.037 -0.307 0.000 0.627 284 A CB -0.329 18.399 19.000 -0.453 0.000 0.815 284 A HN 0.225 nan 8.150 nan 0.000 0.443 285 F N -0.628 119.342 119.950 0.033 0.000 2.639 285 F HA 0.361 4.888 4.527 0.000 0.000 0.302 285 F C 0.550 176.365 175.800 0.025 0.000 1.097 285 F CA -0.671 57.348 58.000 0.031 0.000 1.294 285 F CB -0.007 39.015 39.000 0.036 0.000 1.027 285 F HN 0.028 nan 8.300 nan 0.000 0.550 286 L N 0.768 122.063 121.223 0.121 0.000 2.578 286 L HA 0.135 4.475 4.340 0.001 0.000 0.279 286 L C 1.432 178.344 176.870 0.069 0.000 1.227 286 L CA 1.293 56.185 54.840 0.088 0.000 0.900 286 L CB 0.336 42.425 42.059 0.051 0.000 1.144 286 L HN 0.614 nan 8.230 nan 0.000 0.496 287 G N 2.442 111.278 108.800 0.060 0.000 2.253 287 G HA2 -0.280 3.681 3.960 0.001 0.000 0.251 287 G HA3 -0.280 3.681 3.960 0.001 0.000 0.251 287 G C 0.358 175.290 174.900 0.052 0.000 0.998 287 G CA 0.083 45.208 45.100 0.042 0.000 0.621 287 G HN 0.662 nan 8.290 nan 0.000 0.524 288 C N 1.433 120.787 119.300 0.090 0.000 2.539 288 C HA 0.504 4.964 4.460 0.001 0.000 0.392 288 C C 1.152 176.184 174.990 0.069 0.000 1.269 288 C CA -0.392 58.684 59.018 0.098 0.000 2.250 288 C CB 0.951 28.800 27.740 0.183 0.000 2.584 288 C HN 0.428 nan 8.230 nan 0.000 0.589 289 K N 1.742 122.174 120.400 0.053 0.000 2.155 289 K HA 0.443 4.764 4.320 0.001 0.000 0.240 289 K C -0.497 176.125 176.600 0.037 0.000 1.193 289 K CA 0.184 56.495 56.287 0.038 0.000 1.104 289 K CB 0.187 32.708 32.500 0.034 0.000 1.558 289 K HN 0.463 nan 8.250 nan 0.000 0.313 290 V N 1.228 121.156 119.914 0.024 0.000 3.204 290 V HA 0.323 4.444 4.120 0.001 0.000 0.298 290 V C -1.574 174.506 176.094 -0.023 0.000 1.328 290 V CA -0.970 61.324 62.300 -0.010 0.000 1.035 290 V CB 2.498 34.278 31.823 -0.073 0.000 1.095 290 V HN 0.445 nan 8.190 nan 0.000 0.442 291 K N 2.841 123.220 120.400 -0.035 0.000 2.221 291 K HA 0.691 5.011 4.320 0.001 0.000 0.243 291 K C -1.675 174.874 176.600 -0.086 0.000 0.968 291 K CA -0.836 55.426 56.287 -0.041 0.000 0.846 291 K CB 1.972 34.455 32.500 -0.028 0.000 1.141 291 K HN 0.319 nan 8.250 nan 0.000 0.434 292 L N 1.131 122.315 121.223 -0.064 0.000 2.344 292 L HA 0.659 4.999 4.340 0.001 0.000 0.272 292 L C -0.438 176.391 176.870 -0.069 0.000 1.035 292 L CA -0.101 54.690 54.840 -0.081 0.000 0.807 292 L CB 1.484 43.522 42.059 -0.035 0.000 1.237 292 L HN 0.878 nan 8.230 nan 0.000 0.442 293 A N 3.007 125.780 122.820 -0.079 0.000 2.606 293 A HA 0.863 5.184 4.320 0.001 0.000 0.293 293 A C -1.149 176.398 177.584 -0.061 0.000 1.082 293 A CA -0.464 51.538 52.037 -0.058 0.000 0.685 293 A CB 1.498 20.471 19.000 -0.045 0.000 1.284 293 A HN 0.689 nan 8.150 nan 0.000 0.408 294 I N -2.047 118.499 120.570 -0.040 0.000 3.108 294 I HA 0.761 4.932 4.170 0.001 0.000 0.312 294 I C -0.846 175.261 176.117 -0.017 0.000 1.095 294 I CA -1.045 60.232 61.300 -0.039 0.000 1.000 294 I CB 2.356 40.337 38.000 -0.031 0.000 1.229 294 I HN 0.481 nan 8.210 nan 0.000 0.454 295 K N 2.560 122.947 120.400 -0.021 0.000 2.292 295 K HA 0.697 5.018 4.320 0.001 0.000 0.257 295 K C -1.454 175.166 176.600 0.035 0.000 0.940 295 K CA -0.847 55.437 56.287 -0.005 0.000 0.811 295 K CB 2.702 35.174 32.500 -0.046 0.000 1.120 295 K HN 0.430 nan 8.250 nan 0.000 0.428 296 V N 1.724 121.683 119.914 0.075 0.000 2.448 296 V HA 0.192 4.313 4.120 0.001 0.000 0.295 296 V C 0.058 176.184 176.094 0.053 0.000 1.025 296 V CA -0.705 61.678 62.300 0.138 0.000 0.859 296 V CB 1.730 33.658 31.823 0.176 0.000 0.988 296 V HN 0.815 nan 8.190 nan 0.000 0.431 297 S N 3.311 119.102 115.700 0.151 0.000 2.576 297 S HA 0.464 4.934 4.470 0.001 0.000 0.276 297 S C 0.560 175.104 174.600 -0.093 0.000 1.339 297 S CA 0.019 58.255 58.200 0.059 0.000 1.039 297 S CB 0.823 64.177 63.200 0.258 0.000 0.902 297 S HN 1.083 nan 8.310 nan 0.000 0.516 298 G N 4.285 112.899 108.800 -0.311 0.000 2.696 298 G HA2 0.495 4.456 3.960 0.001 0.000 0.329 298 G HA3 0.495 4.456 3.960 0.001 0.000 0.329 298 G C -0.373 174.493 174.900 -0.056 0.000 0.973 298 G CA -0.534 44.359 45.100 -0.344 0.000 1.257 298 G HN 0.761 nan 8.290 nan 0.000 0.456 299 I N 3.193 123.708 120.570 -0.092 0.000 2.257 299 I HA 0.121 4.291 4.170 0.001 0.000 0.290 299 I C 1.246 177.145 176.117 -0.363 0.000 1.137 299 I CA -0.657 60.320 61.300 -0.537 0.000 1.255 299 I CB 0.422 38.099 38.000 -0.539 0.000 1.485 299 I HN 0.784 nan 8.210 nan 0.000 0.534 300 H N 2.323 121.367 119.070 -0.044 0.000 2.535 300 H HA -0.004 4.553 4.556 0.001 0.000 0.273 300 H C 0.116 175.578 175.328 0.223 0.000 0.983 300 H CA -0.606 55.502 56.048 0.100 0.000 1.238 300 H CB -0.408 29.423 29.762 0.115 0.000 1.412 300 H HN 0.580 nan 8.280 nan 0.000 0.562 301 W N -0.334 120.843 121.300 -0.204 0.000 2.266 301 W HA 0.309 4.969 4.660 0.001 0.000 0.317 301 W C -0.550 175.871 176.519 -0.164 0.000 1.310 301 W CA -1.333 55.849 57.345 -0.272 0.000 1.207 301 W CB 0.207 29.370 29.460 -0.494 0.000 1.199 301 W HN 0.328 nan 8.180 nan 0.000 0.544 302 W N 0.902 122.269 121.300 0.112 0.000 2.046 302 W HA -0.366 4.295 4.660 0.001 0.000 0.263 302 W C 1.352 177.777 176.519 -0.156 0.000 1.048 302 W CA 0.528 57.843 57.345 -0.050 0.000 0.474 302 W CB -2.314 27.068 29.460 -0.130 0.000 2.069 302 W HN 0.696 nan 8.180 nan 0.000 1.264 303 Y N 1.447 121.721 120.300 -0.044 0.000 2.333 303 Y HA -0.066 4.485 4.550 0.001 0.000 0.290 303 Y C 1.953 177.681 175.900 -0.287 0.000 1.144 303 Y CA 2.147 60.151 58.100 -0.159 0.000 1.228 303 Y CB -0.000 38.496 38.460 0.061 0.000 0.985 303 Y HN -0.072 nan 8.280 nan 0.000 0.542 304 K N 0.623 121.006 120.400 -0.028 0.000 2.437 304 K HA 0.168 4.489 4.320 0.001 0.000 0.198 304 K C -0.311 176.256 176.600 -0.056 0.000 1.024 304 K CA 0.292 56.561 56.287 -0.030 0.000 1.148 304 K CB 0.187 32.732 32.500 0.076 0.000 0.860 304 K HN 0.138 nan 8.250 nan 0.000 0.515 305 V N -2.920 116.927 119.914 -0.112 0.000 2.960 305 V HA 0.277 4.397 4.120 0.001 0.000 0.315 305 V C 1.124 177.156 176.094 -0.104 0.000 1.087 305 V CA -0.957 61.327 62.300 -0.027 0.000 0.982 305 V CB 1.996 33.875 31.823 0.094 0.000 1.039 305 V HN 0.001 nan 8.190 nan 0.000 0.437 306 E N 1.721 121.935 120.200 0.024 0.000 2.160 306 E HA -0.207 4.144 4.350 0.001 0.000 0.195 306 E C 1.702 178.430 176.600 0.214 0.000 0.991 306 E CA 1.888 58.369 56.400 0.135 0.000 0.810 306 E CB -0.024 29.782 29.700 0.176 0.000 0.742 306 E HN 0.939 nan 8.360 nan 0.000 0.466 307 N N 0.058 118.776 118.700 0.031 0.000 2.457 307 N HA -0.164 4.576 4.740 0.001 0.000 0.180 307 N C -0.029 175.495 175.510 0.024 0.000 1.050 307 N CA 0.563 53.520 53.050 -0.154 0.000 0.906 307 N CB -0.277 37.968 38.487 -0.404 0.000 0.968 307 N HN 0.247 nan 8.380 nan 0.000 0.445 308 H N 0.090 119.125 119.070 -0.059 0.000 2.594 308 H HA -0.177 4.379 4.556 0.001 0.000 0.316 308 H C 1.505 176.772 175.328 -0.102 0.000 1.107 308 H CA 0.393 56.436 56.048 -0.008 0.000 1.133 308 H CB -1.196 28.590 29.762 0.039 0.000 1.459 308 H HN 0.536 nan 8.280 nan 0.000 0.411 309 A N 0.725 123.362 122.820 -0.304 0.000 1.896 309 A HA -0.212 4.108 4.320 0.001 0.000 0.220 309 A C 2.561 179.866 177.584 -0.465 0.000 1.206 309 A CA 2.678 54.218 52.037 -0.829 0.000 0.647 309 A CB -0.827 17.330 19.000 -1.405 0.000 0.828 309 A HN 0.663 nan 8.150 nan 0.000 0.455 310 A N -0.815 121.873 122.820 -0.221 0.000 1.933 310 A HA -0.161 4.160 4.320 0.001 0.000 0.218 310 A C 1.929 179.412 177.584 -0.169 0.000 1.175 310 A CA 1.746 53.650 52.037 -0.221 0.000 0.628 310 A CB -0.533 18.136 19.000 -0.551 0.000 0.814 310 A HN 0.673 nan 8.150 nan 0.000 0.444 311 E N -0.050 120.129 120.200 -0.034 0.000 2.051 311 E HA -0.138 4.213 4.350 0.001 0.000 0.192 311 E C 1.976 178.691 176.600 0.192 0.000 0.991 311 E CA 1.176 57.675 56.400 0.164 0.000 0.799 311 E CB -0.290 29.607 29.700 0.328 0.000 0.748 311 E HN 0.610 nan 8.360 nan 0.000 0.449 312 L N 0.841 122.194 121.223 0.217 0.000 2.042 312 L HA -0.191 4.150 4.340 0.001 0.000 0.210 312 L C 2.845 179.968 176.870 0.421 0.000 1.076 312 L CA 1.782 56.838 54.840 0.360 0.000 0.749 312 L CB -1.304 41.063 42.059 0.514 0.000 0.893 312 L HN 0.362 nan 8.230 nan 0.000 0.432 313 T N -2.591 112.046 114.554 0.139 0.000 2.915 313 T HA -0.043 4.307 4.350 0.001 0.000 0.269 313 T C 1.777 176.623 174.700 0.243 0.000 1.071 313 T CA 0.858 62.935 62.100 -0.038 0.000 1.132 313 T CB -0.210 68.436 68.868 -0.370 0.000 0.878 313 T HN 0.324 nan 8.240 nan 0.000 0.479 314 A N 0.805 123.708 122.820 0.139 0.000 2.169 314 A HA 0.580 4.900 4.320 0.001 0.000 0.212 314 A C 2.079 179.608 177.584 -0.092 0.000 1.153 314 A CA 0.735 52.788 52.037 0.028 0.000 0.756 314 A CB -0.847 18.105 19.000 -0.080 0.000 0.813 314 A HN 1.321 nan 8.150 nan 0.000 0.471 315 G N -2.752 106.085 108.800 0.062 0.000 2.184 315 G HA2 -0.194 3.766 3.960 0.001 0.000 0.206 315 G HA3 -0.194 3.766 3.960 0.001 0.000 0.206 315 G C -0.291 174.538 174.900 -0.118 0.000 0.995 315 G CA 0.016 45.070 45.100 -0.078 0.000 0.651 315 G HN 0.350 nan 8.290 nan 0.000 0.511 316 Y N 0.829 121.197 120.300 0.113 0.000 2.504 316 Y HA 0.445 4.995 4.550 0.001 0.000 0.339 316 Y C 0.535 176.466 175.900 0.052 0.000 0.974 316 Y CA -1.976 56.106 58.100 -0.029 0.000 1.232 316 Y CB 0.276 38.670 38.460 -0.110 0.000 1.108 316 Y HN 0.292 nan 8.280 nan 0.000 0.509 317 Y N 4.436 124.763 120.300 0.044 0.000 2.603 317 Y HA 0.110 4.661 4.550 0.001 0.000 0.341 317 Y C -0.149 175.710 175.900 -0.068 0.000 1.272 317 Y CA -0.453 57.673 58.100 0.043 0.000 1.891 317 Y CB -0.179 38.307 38.460 0.043 0.000 1.910 317 Y HN 0.597 nan 8.280 nan 0.000 0.432 318 N N 4.686 123.407 118.700 0.035 0.000 2.446 318 N HA 0.444 5.184 4.740 0.001 0.000 0.265 318 N C -1.645 173.637 175.510 -0.381 0.000 0.975 318 N CA -0.296 52.621 53.050 -0.222 0.000 0.928 318 N CB 0.915 39.251 38.487 -0.253 0.000 1.160 318 N HN 0.523 nan 8.380 nan 0.000 0.495 319 L N 1.887 122.871 121.223 -0.397 0.000 2.257 319 L HA 0.500 4.841 4.340 0.001 0.000 0.257 319 L C 1.058 177.737 176.870 -0.317 0.000 1.033 319 L CA -1.092 53.519 54.840 -0.380 0.000 0.835 319 L CB 1.295 43.318 42.059 -0.061 0.000 1.398 319 L HN 0.464 nan 8.230 nan 0.000 0.429 320 N N 0.874 119.512 118.700 -0.104 0.000 2.364 320 N HA -0.129 4.611 4.740 0.001 0.000 0.183 320 N C 0.363 175.849 175.510 -0.039 0.000 1.022 320 N CA 1.067 54.103 53.050 -0.024 0.000 0.883 320 N CB -0.131 38.394 38.487 0.064 0.000 0.965 320 N HN 0.622 nan 8.380 nan 0.000 0.438 321 D N -1.107 119.261 120.400 -0.053 0.000 2.538 321 D HA 0.090 4.730 4.640 0.001 0.000 0.231 321 D C -0.003 176.238 176.300 -0.099 0.000 1.229 321 D CA -0.200 53.767 54.000 -0.055 0.000 0.828 321 D CB 0.182 40.963 40.800 -0.031 0.000 1.035 321 D HN -0.000 nan 8.370 nan 0.000 0.495 322 R N 0.823 121.234 120.500 -0.148 0.000 2.549 322 R HA 0.123 4.464 4.340 0.001 0.000 0.291 322 R C -1.761 174.413 176.300 -0.210 0.000 1.164 322 R CA -0.471 55.504 56.100 -0.209 0.000 0.973 322 R CB 1.070 31.157 30.300 -0.355 0.000 1.210 322 R HN -0.152 nan 8.270 nan 0.000 0.422 323 D N 2.963 123.276 120.400 -0.146 0.000 2.338 323 D HA 0.113 4.754 4.640 0.001 0.000 0.255 323 D C 0.672 176.876 176.300 -0.159 0.000 1.237 323 D CA 0.394 54.330 54.000 -0.107 0.000 0.883 323 D CB 1.400 42.174 40.800 -0.043 0.000 1.087 323 D HN 0.822 nan 8.370 nan 0.000 0.485 324 G N 2.721 111.362 108.800 -0.266 0.000 3.042 324 G HA2 -0.107 3.854 3.960 0.001 0.000 0.212 324 G HA3 -0.107 3.854 3.960 0.001 0.000 0.212 324 G C 0.564 175.182 174.900 -0.470 0.000 1.166 324 G CA 0.168 45.058 45.100 -0.350 0.000 0.767 324 G HN 0.461 nan 8.290 nan 0.000 0.546 325 Y N -0.854 119.410 120.300 -0.061 0.000 2.559 325 Y HA 0.290 4.841 4.550 0.001 0.000 0.279 325 Y C 2.557 178.401 175.900 -0.092 0.000 1.117 325 Y CA -0.206 57.826 58.100 -0.113 0.000 1.263 325 Y CB 0.024 38.365 38.460 -0.198 0.000 1.230 325 Y HN 0.070 nan 8.280 nan 0.000 0.528 326 R N 0.691 121.226 120.500 0.059 0.000 2.127 326 R HA -0.103 4.237 4.340 0.001 0.000 0.238 326 R C -1.081 175.224 176.300 0.009 0.000 1.134 326 R CA 1.425 57.538 56.100 0.022 0.000 0.975 326 R CB -1.024 29.283 30.300 0.012 0.000 0.865 326 R HN 0.203 nan 8.270 nan 0.000 0.447 327 P HA -0.124 nan 4.420 nan 0.000 0.218 327 P C 0.825 178.132 177.300 0.011 0.000 1.149 327 P CA 1.231 64.330 63.100 -0.001 0.000 0.817 327 P CB 0.054 31.747 31.700 -0.011 0.000 0.785 328 I N -0.794 119.790 120.570 0.023 0.000 2.252 328 I HA -0.211 3.959 4.170 0.001 0.000 0.245 328 I C 2.303 178.434 176.117 0.023 0.000 1.102 328 I CA 1.324 62.646 61.300 0.036 0.000 1.385 328 I CB -0.816 37.220 38.000 0.061 0.000 1.064 328 I HN -0.091 nan 8.210 nan 0.000 0.414 329 A N 0.834 123.661 122.820 0.012 0.000 1.933 329 A HA -0.253 4.067 4.320 0.001 0.000 0.218 329 A C 2.433 180.017 177.584 0.001 0.000 1.175 329 A CA 1.829 53.864 52.037 -0.002 0.000 0.628 329 A CB -0.657 18.334 19.000 -0.015 0.000 0.814 329 A HN 0.359 nan 8.150 nan 0.000 0.444 330 R N -1.133 119.369 120.500 0.003 0.000 2.092 330 R HA -0.093 4.247 4.340 0.001 0.000 0.231 330 R C 2.218 178.508 176.300 -0.016 0.000 1.119 330 R CA 1.562 57.659 56.100 -0.005 0.000 0.970 330 R CB -0.279 30.018 30.300 -0.003 0.000 0.864 330 R HN 0.512 nan 8.270 nan 0.000 0.440 331 M N 0.766 120.367 119.600 0.002 0.000 2.159 331 M HA -0.147 4.334 4.480 0.001 0.000 0.263 331 M C 1.771 178.094 176.300 0.040 0.000 1.063 331 M CA 1.636 56.945 55.300 0.015 0.000 1.110 331 M CB -0.302 32.324 32.600 0.042 0.000 1.374 331 M HN 0.293 nan 8.290 nan 0.000 0.411 332 L N 0.283 121.532 121.223 0.043 0.000 2.131 332 L HA -0.190 4.150 4.340 0.001 0.000 0.210 332 L C 2.642 179.506 176.870 -0.010 0.000 1.092 332 L CA 1.416 56.291 54.840 0.058 0.000 0.759 332 L CB -0.910 41.163 42.059 0.024 0.000 0.903 332 L HN 0.443 nan 8.230 nan 0.000 0.435 333 S N 1.139 116.805 115.700 -0.057 0.000 2.370 333 S HA -0.275 4.195 4.470 0.001 0.000 0.226 333 S C 2.013 176.445 174.600 -0.280 0.000 1.033 333 S CA 1.419 59.551 58.200 -0.113 0.000 1.011 333 S CB -0.606 62.551 63.200 -0.072 0.000 0.852 333 S HN 0.578 nan 8.310 nan 0.000 0.457 334 R N 0.778 121.091 120.500 -0.311 0.000 2.193 334 R HA -0.028 4.313 4.340 0.001 0.000 0.229 334 R C 1.600 177.493 176.300 -0.678 0.000 1.110 334 R CA 1.657 57.467 56.100 -0.483 0.000 0.988 334 R CB -0.815 29.214 30.300 -0.452 0.000 0.871 334 R HN 0.532 nan 8.270 nan 0.000 0.458 335 H N 0.078 118.974 119.070 -0.291 0.000 2.551 335 H HA 0.095 4.652 4.556 0.001 0.000 0.271 335 H C -0.263 175.000 175.328 -0.108 0.000 0.984 335 H CA 0.447 56.392 56.048 -0.170 0.000 1.164 335 H CB 0.030 29.757 29.762 -0.059 0.000 1.437 335 H HN 0.489 nan 8.280 nan 0.000 0.550 336 H N -0.878 118.219 119.070 0.045 0.000 2.741 336 H HA -0.112 4.445 4.556 0.001 0.000 0.305 336 H C 0.422 175.738 175.328 -0.021 0.000 1.169 336 H CA 0.349 56.395 56.048 -0.004 0.000 1.144 336 H CB -1.608 28.146 29.762 -0.013 0.000 1.397 336 H HN 0.494 nan 8.280 nan 0.000 0.409 337 A N 0.265 123.121 122.820 0.059 0.000 2.269 337 A HA 0.695 5.015 4.320 0.001 0.000 0.319 337 A C 0.447 178.007 177.584 -0.039 0.000 1.110 337 A CA -0.634 51.409 52.037 0.010 0.000 0.847 337 A CB 0.924 19.937 19.000 0.021 0.000 1.161 337 A HN 0.312 nan 8.150 nan 0.000 0.497 338 I N 0.751 121.283 120.570 -0.064 0.000 2.396 338 I HA 0.244 4.415 4.170 0.001 0.000 0.292 338 I C -0.206 175.897 176.117 -0.024 0.000 0.999 338 I CA -0.176 61.083 61.300 -0.068 0.000 1.310 338 I CB 1.378 39.335 38.000 -0.072 0.000 1.404 338 I HN 0.542 nan 8.210 nan 0.000 0.496 339 L N 7.231 128.443 121.223 -0.018 0.000 2.261 339 L HA 0.333 4.673 4.340 0.001 0.000 0.289 339 L C -0.122 176.768 176.870 0.035 0.000 1.059 339 L CA -0.108 54.729 54.840 -0.004 0.000 0.816 339 L CB 0.230 42.263 42.059 -0.044 0.000 1.191 339 L HN 0.657 nan 8.230 nan 0.000 0.431 340 N N 4.196 122.930 118.700 0.057 0.000 2.462 340 N HA 0.210 4.951 4.740 0.001 0.000 0.242 340 N C -0.886 174.703 175.510 0.133 0.000 1.010 340 N CA -0.566 52.537 53.050 0.088 0.000 0.939 340 N CB 0.663 39.180 38.487 0.051 0.000 1.127 340 N HN 0.415 nan 8.380 nan 0.000 0.509 341 F N 2.159 122.084 119.950 -0.042 0.000 2.452 341 F HA 0.539 5.067 4.527 0.001 0.000 0.353 341 F C 0.727 176.507 175.800 -0.032 0.000 1.089 341 F CA -0.210 57.747 58.000 -0.072 0.000 1.080 341 F CB 1.730 40.653 39.000 -0.128 0.000 1.399 341 F HN 0.264 nan 8.300 nan 0.000 0.492 342 T N -1.302 112.775 114.554 -0.795 0.000 2.626 342 T HA 0.336 4.687 4.350 0.001 0.000 0.279 342 T C -0.417 174.005 174.700 -0.463 0.000 0.983 342 T CA 0.277 62.099 62.100 -0.463 0.000 1.059 342 T CB 0.463 69.109 68.868 -0.370 0.000 1.396 342 T HN 0.805 nan 8.240 nan 0.000 0.519 343 C N 0.530 119.680 119.300 -0.249 0.000 4.326 343 C HA -0.109 4.351 4.460 0.001 0.000 0.284 343 C C 1.737 176.687 174.990 -0.067 0.000 1.419 343 C CA 0.277 59.203 59.018 -0.154 0.000 1.920 343 C CB -2.884 24.765 27.740 -0.151 0.000 1.306 343 C HN 0.811 nan 8.230 nan 0.000 0.786 344 L N 1.526 122.739 121.223 -0.018 0.000 2.447 344 L HA -0.102 4.239 4.340 0.001 0.000 0.225 344 L C 2.417 179.313 176.870 0.042 0.000 1.148 344 L CA 2.520 57.402 54.840 0.070 0.000 0.808 344 L CB -0.313 41.816 42.059 0.116 0.000 0.928 344 L HN 0.714 nan 8.230 nan 0.000 0.448 345 E N -1.573 118.608 120.200 -0.030 0.000 2.490 345 E HA 0.029 4.379 4.350 0.001 0.000 0.209 345 E C 0.678 177.223 176.600 -0.092 0.000 0.971 345 E CA 0.019 56.383 56.400 -0.061 0.000 0.988 345 E CB -0.012 29.617 29.700 -0.119 0.000 1.029 345 E HN 0.346 nan 8.360 nan 0.000 0.496 346 M N 1.482 121.010 119.600 -0.119 0.000 2.241 346 M HA 0.349 4.829 4.480 0.001 0.000 0.335 346 M C 0.323 176.546 176.300 -0.127 0.000 1.122 346 M CA 0.116 55.321 55.300 -0.159 0.000 1.164 346 M CB 0.959 33.400 32.600 -0.265 0.000 1.459 346 M HN -0.219 nan 8.290 nan 0.000 0.461 347 R N 0.708 121.135 120.500 -0.122 0.000 2.740 347 R HA 0.236 4.576 4.340 0.001 0.000 0.282 347 R C -0.181 176.061 176.300 -0.096 0.000 0.969 347 R CA -0.920 55.129 56.100 -0.087 0.000 0.918 347 R CB 1.516 31.783 30.300 -0.055 0.000 1.175 347 R HN 0.625 nan 8.270 nan 0.000 0.464 348 D N 0.546 120.903 120.400 -0.072 0.000 2.123 348 D HA -0.180 4.460 4.640 0.001 0.000 0.196 348 D C 1.674 177.952 176.300 -0.036 0.000 0.992 348 D CA 2.072 56.041 54.000 -0.051 0.000 0.833 348 D CB -0.111 40.673 40.800 -0.026 0.000 0.954 348 D HN 0.544 nan 8.370 nan 0.000 0.455 349 S N 0.248 115.929 115.700 -0.032 0.000 2.469 349 S HA -0.145 4.326 4.470 0.001 0.000 0.238 349 S C 1.496 176.076 174.600 -0.033 0.000 0.998 349 S CA 0.701 58.886 58.200 -0.024 0.000 0.957 349 S CB -0.376 62.813 63.200 -0.019 0.000 0.764 349 S HN 0.366 nan 8.310 nan 0.000 0.514 350 E N 0.636 120.805 120.200 -0.052 0.000 2.481 350 E HA 0.083 4.433 4.350 0.001 0.000 0.195 350 E C 0.094 176.659 176.600 -0.058 0.000 1.047 350 E CA 0.185 56.547 56.400 -0.064 0.000 0.867 350 E CB 0.101 29.746 29.700 -0.092 0.000 0.858 350 E HN 0.536 nan 8.360 nan 0.000 0.513 351 Q N 1.613 121.391 119.800 -0.036 0.000 2.230 351 Q HA 0.266 4.606 4.340 0.001 0.000 0.253 351 Q C -2.165 173.853 176.000 0.031 0.000 0.919 351 Q CA -2.376 53.437 55.803 0.018 0.000 0.908 351 Q CB 0.628 29.409 28.738 0.071 0.000 1.245 351 Q HN 0.041 nan 8.270 nan 0.000 0.437 352 P HA 0.058 nan 4.420 nan 0.000 0.268 352 P C 0.142 177.433 177.300 -0.015 0.000 1.205 352 P CA 0.125 63.235 63.100 0.018 0.000 0.771 352 P CB 0.853 32.570 31.700 0.029 0.000 0.858 353 S N 1.252 116.938 115.700 -0.024 0.000 2.399 353 S HA -0.146 4.324 4.470 0.001 0.000 0.231 353 S C 1.349 175.910 174.600 -0.067 0.000 1.022 353 S CA 1.581 59.761 58.200 -0.032 0.000 0.983 353 S CB -0.599 62.593 63.200 -0.014 0.000 0.803 353 S HN 0.720 nan 8.310 nan 0.000 0.480 354 D N 1.399 121.752 120.400 -0.078 0.000 2.378 354 D HA 0.052 4.692 4.640 0.001 0.000 0.227 354 D C 1.246 177.373 176.300 -0.288 0.000 1.012 354 D CA 0.685 54.627 54.000 -0.098 0.000 0.905 354 D CB -0.078 40.693 40.800 -0.049 0.000 0.895 354 D HN 0.412 nan 8.370 nan 0.000 0.532 355 A N 0.524 123.116 122.820 -0.380 0.000 2.220 355 A HA 0.043 4.363 4.320 0.001 0.000 0.211 355 A C 0.854 177.964 177.584 -0.789 0.000 1.176 355 A CA -0.206 51.384 52.037 -0.745 0.000 0.834 355 A CB -0.090 18.600 19.000 -0.517 0.000 0.868 355 A HN 0.006 nan 8.150 nan 0.000 0.488 356 K N 0.954 121.124 120.400 -0.383 0.000 3.278 356 K HA -0.120 4.201 4.320 0.001 0.000 0.270 356 K C -0.555 175.996 176.600 -0.081 0.000 0.955 356 K CA 0.857 57.035 56.287 -0.181 0.000 0.723 356 K CB -2.365 30.070 32.500 -0.108 0.000 1.382 356 K HN 0.481 nan 8.250 nan 0.000 0.461 357 S N -0.355 115.350 115.700 0.009 0.000 2.525 357 S HA 0.520 4.990 4.470 0.001 0.000 0.278 357 S C 0.999 175.685 174.600 0.143 0.000 1.234 357 S CA -0.068 58.243 58.200 0.184 0.000 1.058 357 S CB 1.796 65.210 63.200 0.357 0.000 0.983 357 S HN 0.468 nan 8.310 nan 0.000 0.495 358 G N 3.186 112.084 108.800 0.162 0.000 4.956 358 G HA2 0.315 4.276 3.960 0.001 0.000 0.290 358 G HA3 0.315 4.276 3.960 0.001 0.000 0.290 358 G C -1.736 173.077 174.900 -0.145 0.000 1.352 358 G CA -1.050 44.075 45.100 0.043 0.000 0.983 358 G HN 0.469 nan 8.290 nan 0.000 0.581 359 P HA -0.221 nan 4.420 nan 0.000 0.216 359 P C 1.466 178.651 177.300 -0.192 0.000 1.150 359 P CA 1.143 64.142 63.100 -0.168 0.000 0.837 359 P CB 0.479 31.985 31.700 -0.322 0.000 0.786 360 Q N -0.082 119.611 119.800 -0.178 0.000 2.084 360 Q HA -0.187 4.154 4.340 0.001 0.000 0.202 360 Q C 2.224 178.048 176.000 -0.293 0.000 0.978 360 Q CA 1.579 57.264 55.803 -0.196 0.000 0.844 360 Q CB -0.385 28.267 28.738 -0.143 0.000 0.898 360 Q HN 0.302 nan 8.270 nan 0.000 0.426 361 E N 0.567 120.609 120.200 -0.264 0.000 2.106 361 E HA -0.156 4.194 4.350 0.001 0.000 0.192 361 E C 1.696 178.057 176.600 -0.399 0.000 0.984 361 E CA 0.508 56.755 56.400 -0.255 0.000 0.806 361 E CB -0.132 29.554 29.700 -0.022 0.000 0.750 361 E HN 0.152 nan 8.360 nan 0.000 0.458 362 L N 0.068 120.896 121.223 -0.658 0.000 2.046 362 L HA -0.127 4.213 4.340 0.001 0.000 0.208 362 L C 1.990 178.595 176.870 -0.440 0.000 1.077 362 L CA 1.389 55.826 54.840 -0.672 0.000 0.747 362 L CB -0.410 41.283 42.059 -0.611 0.000 0.896 362 L HN 0.010 nan 8.230 nan 0.000 0.432 363 V N -0.335 119.399 119.914 -0.300 0.000 2.295 363 V HA -0.335 3.785 4.120 0.001 0.000 0.246 363 V C 2.605 178.444 176.094 -0.425 0.000 1.049 363 V CA 2.101 64.248 62.300 -0.255 0.000 1.024 363 V CB -0.652 31.136 31.823 -0.059 0.000 0.648 363 V HN 0.563 nan 8.190 nan 0.000 0.447 364 Q N -0.680 118.760 119.800 -0.599 0.000 2.096 364 Q HA -0.289 4.052 4.340 0.001 0.000 0.204 364 Q C 2.394 178.184 176.000 -0.350 0.000 0.982 364 Q CA 2.000 57.301 55.803 -0.836 0.000 0.850 364 Q CB -0.201 27.946 28.738 -0.986 0.000 0.901 364 Q HN 0.671 nan 8.270 nan 0.000 0.422 365 Q N 0.128 119.757 119.800 -0.285 0.000 2.016 365 Q HA -0.157 4.184 4.340 0.001 0.000 0.200 365 Q C 2.122 177.980 176.000 -0.237 0.000 0.978 365 Q CA 1.513 57.222 55.803 -0.156 0.000 0.833 365 Q CB 0.139 28.852 28.738 -0.041 0.000 0.895 365 Q HN 0.255 nan 8.270 nan 0.000 0.427 366 V N 1.403 121.019 119.914 -0.498 0.000 2.295 366 V HA -0.282 3.839 4.120 0.001 0.000 0.246 366 V C 2.420 178.195 176.094 -0.531 0.000 1.049 366 V CA 1.529 63.416 62.300 -0.688 0.000 1.024 366 V CB -0.583 30.347 31.823 -1.488 0.000 0.648 366 V HN 0.394 nan 8.190 nan 0.000 0.447 367 L N -0.289 120.629 121.223 -0.508 0.000 2.093 367 L HA -0.131 4.209 4.340 0.001 0.000 0.208 367 L C 2.622 179.185 176.870 -0.513 0.000 1.085 367 L CA 1.616 56.070 54.840 -0.642 0.000 0.755 367 L CB -0.859 40.854 42.059 -0.577 0.000 0.904 367 L HN 0.316 nan 8.230 nan 0.000 0.435 368 S N 0.447 116.170 115.700 0.039 0.000 2.368 368 S HA -0.124 4.346 4.470 0.001 0.000 0.225 368 S C 2.067 176.842 174.600 0.291 0.000 1.030 368 S CA 1.286 59.783 58.200 0.496 0.000 0.999 368 S CB -0.583 62.873 63.200 0.427 0.000 0.844 368 S HN 0.607 nan 8.310 nan 0.000 0.459 369 G N 1.205 110.035 108.800 0.050 0.000 2.418 369 G HA2 -0.074 3.887 3.960 0.001 0.000 0.217 369 G HA3 -0.074 3.887 3.960 0.001 0.000 0.217 369 G C 1.425 176.344 174.900 0.031 0.000 1.158 369 G CA 0.977 46.096 45.100 0.032 0.000 0.771 369 G HN 0.562 nan 8.290 nan 0.000 0.545 370 G N -0.063 108.683 108.800 -0.090 0.000 2.421 370 G HA2 -0.179 3.782 3.960 0.001 0.000 0.216 370 G HA3 -0.179 3.782 3.960 0.001 0.000 0.216 370 G C 1.587 176.518 174.900 0.052 0.000 1.171 370 G CA 0.847 45.883 45.100 -0.108 0.000 0.775 370 G HN 0.384 nan 8.290 nan 0.000 0.543 371 W N 0.751 122.129 121.300 0.129 0.000 2.402 371 W HA 0.121 4.781 4.660 0.001 0.000 0.286 371 W C 2.593 179.228 176.519 0.193 0.000 1.221 371 W CA 0.476 57.888 57.345 0.111 0.000 1.257 371 W CB -0.583 28.880 29.460 0.005 0.000 1.120 371 W HN 0.219 nan 8.180 nan 0.000 0.551 372 R N 0.697 121.492 120.500 0.491 0.000 2.115 372 R HA -0.121 4.220 4.340 0.001 0.000 0.230 372 R C 1.482 177.901 176.300 0.199 0.000 1.111 372 R CA 1.187 57.496 56.100 0.348 0.000 0.976 372 R CB -0.059 30.374 30.300 0.221 0.000 0.870 372 R HN -0.089 nan 8.270 nan 0.000 0.445 373 E N 0.514 120.805 120.200 0.152 0.000 2.489 373 E HA -0.067 4.283 4.350 0.001 0.000 0.193 373 E C -0.355 176.299 176.600 0.090 0.000 1.057 373 E CA 0.249 56.703 56.400 0.090 0.000 0.866 373 E CB -0.021 29.710 29.700 0.051 0.000 0.916 373 E HN 0.246 nan 8.360 nan 0.000 0.500 374 D N 0.507 120.989 120.400 0.137 0.000 2.746 374 D HA -0.185 4.456 4.640 0.001 0.000 0.236 374 D C -0.346 176.009 176.300 0.093 0.000 1.129 374 D CA 0.536 54.610 54.000 0.124 0.000 0.691 374 D CB -1.487 39.365 40.800 0.088 0.000 1.077 374 D HN 0.428 nan 8.370 nan 0.000 0.432 375 I N -3.591 117.036 120.570 0.095 0.000 3.133 375 I HA 0.647 4.818 4.170 0.001 0.000 0.311 375 I C 0.297 176.452 176.117 0.063 0.000 1.072 375 I CA -1.360 59.965 61.300 0.041 0.000 1.015 375 I CB 1.552 39.555 38.000 0.004 0.000 1.233 375 I HN -0.216 nan 8.210 nan 0.000 0.473 376 R N 1.561 122.047 120.500 -0.023 0.000 2.404 376 R HA 0.702 5.042 4.340 0.001 0.000 0.291 376 R C -1.198 175.109 176.300 0.010 0.000 1.025 376 R CA -0.661 55.428 56.100 -0.018 0.000 0.991 376 R CB 1.892 31.980 30.300 -0.352 0.000 1.053 376 R HN 0.487 nan 8.270 nan 0.000 0.479 377 V N 1.977 121.960 119.914 0.116 0.000 2.604 377 V HA 0.749 4.869 4.120 0.001 0.000 0.305 377 V C -0.285 175.925 176.094 0.193 0.000 1.043 377 V CA -0.635 61.689 62.300 0.040 0.000 0.888 377 V CB 1.665 33.345 31.823 -0.238 0.000 0.995 377 V HN 0.974 nan 8.190 nan 0.000 0.429 378 A N 2.807 125.731 122.820 0.172 0.000 2.483 378 A HA 1.094 5.414 4.320 0.001 0.000 0.286 378 A C -0.059 177.639 177.584 0.190 0.000 1.207 378 A CA -0.203 51.976 52.037 0.237 0.000 0.764 378 A CB 2.097 21.258 19.000 0.268 0.000 1.341 378 A HN 1.542 nan 8.150 nan 0.000 0.428 379 G N -1.207 107.713 108.800 0.200 0.000 2.495 379 G HA2 0.597 4.557 3.960 0.001 0.000 0.294 379 G HA3 0.597 4.557 3.960 0.001 0.000 0.294 379 G C -1.432 173.560 174.900 0.153 0.000 1.397 379 G CA 0.104 45.304 45.100 0.166 0.000 0.790 379 G HN 1.240 nan 8.290 nan 0.000 0.486 380 E N -1.087 119.167 120.200 0.090 0.000 2.458 380 E HA 0.506 4.857 4.350 0.001 0.000 0.278 380 E C -0.992 175.614 176.600 0.010 0.000 1.004 380 E CA -1.139 55.306 56.400 0.075 0.000 0.823 380 E CB 1.516 31.238 29.700 0.036 0.000 1.396 380 E HN 0.552 nan 8.360 nan 0.000 0.463 381 N N 0.289 118.972 118.700 -0.027 0.000 2.518 381 N HA 0.233 4.973 4.740 0.001 0.000 0.283 381 N C 0.222 175.653 175.510 -0.133 0.000 1.119 381 N CA 0.110 53.102 53.050 -0.097 0.000 0.983 381 N CB 1.745 40.136 38.487 -0.161 0.000 1.139 381 N HN 0.606 nan 8.380 nan 0.000 0.465 382 A N 2.644 125.387 122.820 -0.129 0.000 1.898 382 A HA 0.143 4.463 4.320 0.001 0.000 0.214 382 A C 0.992 178.505 177.584 -0.119 0.000 1.183 382 A CA 0.638 52.611 52.037 -0.107 0.000 0.622 382 A CB -0.127 18.828 19.000 -0.074 0.000 0.824 382 A HN 0.670 nan 8.150 nan 0.000 0.444 383 L N -1.130 119.998 121.223 -0.158 0.000 2.323 383 L HA 0.408 4.749 4.340 0.001 0.000 0.265 383 L C -2.756 173.961 176.870 -0.254 0.000 1.012 383 L CA -2.596 52.140 54.840 -0.174 0.000 0.820 383 L CB 1.896 43.861 42.059 -0.157 0.000 1.334 383 L HN -0.128 nan 8.230 nan 0.000 0.427 384 P HA 0.121 nan 4.420 nan 0.000 0.262 384 P C -1.138 175.877 177.300 -0.475 0.000 1.199 384 P CA 0.073 62.935 63.100 -0.397 0.000 0.763 384 P CB 0.410 31.965 31.700 -0.240 0.000 0.790 385 R N 3.061 123.170 120.500 -0.651 0.000 2.673 385 R HA 0.347 4.687 4.340 0.001 0.000 0.281 385 R C -0.527 175.345 176.300 -0.713 0.000 0.991 385 R CA -0.546 55.220 56.100 -0.558 0.000 0.896 385 R CB 1.475 31.523 30.300 -0.421 0.000 1.201 385 R HN 0.470 nan 8.270 nan 0.000 0.457 386 Y N -0.732 119.482 120.300 -0.144 0.000 2.610 386 Y HA 0.100 4.650 4.550 0.000 0.000 0.254 386 Y C 0.436 176.296 175.900 -0.066 0.000 1.110 386 Y CA -0.717 57.358 58.100 -0.041 0.000 1.238 386 Y CB 0.813 39.323 38.460 0.082 0.000 1.322 386 Y HN 0.460 nan 8.280 nan 0.000 0.547 387 D N 0.085 120.426 120.400 -0.100 0.000 2.294 387 D HA 0.324 4.964 4.640 0.001 0.000 0.250 387 D C 1.190 177.451 176.300 -0.065 0.000 1.058 387 D CA 0.189 54.170 54.000 -0.031 0.000 0.950 387 D CB 2.148 42.926 40.800 -0.036 0.000 1.158 387 D HN 0.078 nan 8.370 nan 0.000 0.453 388 A N 1.675 124.547 122.820 0.087 0.000 1.908 388 A HA -0.219 4.102 4.320 0.001 0.000 0.218 388 A C 2.200 179.820 177.584 0.061 0.000 1.181 388 A CA 2.819 54.941 52.037 0.141 0.000 0.627 388 A CB -1.392 17.671 19.000 0.105 0.000 0.818 388 A HN 0.811 nan 8.150 nan 0.000 0.445 389 T N -1.692 112.863 114.554 0.001 0.000 2.720 389 T HA -0.039 4.311 4.350 0.001 0.000 0.268 389 T C 1.945 176.616 174.700 -0.049 0.000 1.037 389 T CA 1.884 63.976 62.100 -0.014 0.000 1.144 389 T CB -0.705 68.148 68.868 -0.025 0.000 0.864 389 T HN 0.620 nan 8.240 nan 0.000 0.444 390 A N 0.740 123.473 122.820 -0.145 0.000 1.873 390 A HA 0.042 4.362 4.320 0.001 0.000 0.215 390 A C 2.213 179.687 177.584 -0.184 0.000 1.186 390 A CA 1.331 53.237 52.037 -0.218 0.000 0.616 390 A CB -1.184 17.590 19.000 -0.377 0.000 0.823 390 A HN 0.552 nan 8.150 nan 0.000 0.442 391 Y N 0.846 121.063 120.300 -0.138 0.000 2.224 391 Y HA -0.164 4.386 4.550 0.001 0.000 0.289 391 Y C 2.387 178.287 175.900 -0.001 0.000 1.146 391 Y CA 1.268 59.241 58.100 -0.211 0.000 1.182 391 Y CB -0.576 37.740 38.460 -0.240 0.000 0.983 391 Y HN 0.315 nan 8.280 nan 0.000 0.524 392 N N -0.117 118.680 118.700 0.162 0.000 2.244 392 N HA -0.163 4.578 4.740 0.001 0.000 0.183 392 N C 1.840 177.419 175.510 0.114 0.000 1.016 392 N CA 1.122 54.248 53.050 0.127 0.000 0.866 392 N CB -0.299 38.239 38.487 0.085 0.000 0.980 392 N HN 0.376 nan 8.380 nan 0.000 0.430 393 Q N 0.895 120.748 119.800 0.087 0.000 2.123 393 Q HA 0.142 4.483 4.340 0.001 0.000 0.199 393 Q C 1.958 178.041 176.000 0.139 0.000 0.966 393 Q CA 0.875 56.735 55.803 0.094 0.000 0.845 393 Q CB -0.167 28.595 28.738 0.040 0.000 0.907 393 Q HN 0.350 nan 8.270 nan 0.000 0.439 394 I N -0.160 120.497 120.570 0.144 0.000 2.179 394 I HA -0.266 3.905 4.170 0.001 0.000 0.242 394 I C 1.990 178.253 176.117 0.243 0.000 1.088 394 I CA 1.099 62.525 61.300 0.209 0.000 1.357 394 I CB -0.267 37.888 38.000 0.259 0.000 1.051 394 I HN 0.231 nan 8.210 nan 0.000 0.409 395 I N 0.126 120.842 120.570 0.244 0.000 2.286 395 I HA -0.286 3.885 4.170 0.001 0.000 0.248 395 I C 2.487 178.667 176.117 0.105 0.000 1.115 395 I CA 0.988 62.383 61.300 0.158 0.000 1.392 395 I CB -0.239 37.836 38.000 0.125 0.000 1.065 395 I HN 0.254 nan 8.210 nan 0.000 0.418 396 L N 1.158 122.457 121.223 0.127 0.000 2.017 396 L HA -0.192 4.148 4.340 0.001 0.000 0.208 396 L C 2.111 179.063 176.870 0.136 0.000 1.073 396 L CA 1.961 56.869 54.840 0.114 0.000 0.745 396 L CB -0.922 41.241 42.059 0.174 0.000 0.894 396 L HN 0.201 nan 8.230 nan 0.000 0.432 397 N N 0.085 118.944 118.700 0.264 0.000 2.309 397 N HA -0.094 4.646 4.740 0.001 0.000 0.182 397 N C 1.767 177.435 175.510 0.263 0.000 1.018 397 N CA 1.293 54.567 53.050 0.373 0.000 0.876 397 N CB -0.304 38.417 38.487 0.390 0.000 0.972 397 N HN 0.549 nan 8.380 nan 0.000 0.434 398 A N 0.574 123.503 122.820 0.183 0.000 1.969 398 A HA 0.021 4.341 4.320 0.001 0.000 0.218 398 A C 1.055 178.683 177.584 0.073 0.000 1.169 398 A CA 0.973 53.102 52.037 0.153 0.000 0.635 398 A CB 0.129 19.187 19.000 0.097 0.000 0.810 398 A HN 0.156 nan 8.150 nan 0.000 0.445 399 R N -1.284 119.203 120.500 -0.022 0.000 2.718 399 R HA 0.208 4.548 4.340 0.001 0.000 0.266 399 R C -2.487 173.671 176.300 -0.236 0.000 1.776 399 R CA -1.424 54.594 56.100 -0.136 0.000 1.567 399 R CB 0.997 31.227 30.300 -0.115 0.000 1.336 399 R HN 0.135 nan 8.270 nan 0.000 0.619 400 P HA -0.208 nan 4.420 nan 0.000 0.217 400 P C 0.479 177.477 177.300 -0.504 0.000 1.151 400 P CA 1.471 64.090 63.100 -0.801 0.000 0.849 400 P CB 0.320 31.123 31.700 -1.494 0.000 0.787 401 Q N -1.319 118.259 119.800 -0.371 0.000 2.188 401 Q HA 0.363 4.703 4.340 0.001 0.000 0.212 401 Q C 0.775 176.678 176.000 -0.161 0.000 0.846 401 Q CA 0.038 55.705 55.803 -0.228 0.000 0.989 401 Q CB 0.457 29.067 28.738 -0.214 0.000 1.114 401 Q HN 0.143 nan 8.270 nan 0.000 0.488 402 G N 0.855 109.561 108.800 -0.158 0.000 2.725 402 G HA2 -0.247 3.714 3.960 0.001 0.000 0.220 402 G HA3 -0.247 3.714 3.960 0.001 0.000 0.220 402 G C -0.161 174.672 174.900 -0.113 0.000 1.357 402 G CA -0.439 44.595 45.100 -0.111 0.000 0.866 402 G HN 0.458 nan 8.290 nan 0.000 0.548 403 V N -1.724 118.137 119.914 -0.088 0.000 2.904 403 V HA 0.807 4.927 4.120 0.001 0.000 0.305 403 V C 0.357 176.406 176.094 -0.075 0.000 1.067 403 V CA -0.292 61.958 62.300 -0.083 0.000 1.044 403 V CB 1.867 33.647 31.823 -0.071 0.000 1.050 403 V HN 1.471 nan 8.190 nan 0.000 0.475 404 N N 1.758 120.416 118.700 -0.071 0.000 2.407 404 N HA 0.398 5.138 4.740 0.001 0.000 0.277 404 N C 0.150 175.631 175.510 -0.048 0.000 0.995 404 N CA -0.344 52.669 53.050 -0.061 0.000 0.903 404 N CB 1.118 39.565 38.487 -0.067 0.000 1.218 404 N HN 0.788 nan 8.380 nan 0.000 0.487 405 N N 2.090 120.765 118.700 -0.042 0.000 2.467 405 N HA -0.005 4.736 4.740 0.001 0.000 0.184 405 N C -0.268 175.223 175.510 -0.031 0.000 1.106 405 N CA 0.317 53.346 53.050 -0.035 0.000 0.892 405 N CB 0.134 38.602 38.487 -0.031 0.000 0.969 405 N HN 0.537 nan 8.380 nan 0.000 0.454 406 N N -0.098 118.582 118.700 -0.033 0.000 2.235 406 N HA 0.226 4.967 4.740 0.001 0.000 0.209 406 N C 0.331 175.823 175.510 -0.030 0.000 1.122 406 N CA -0.116 52.917 53.050 -0.029 0.000 0.845 406 N CB 1.415 39.885 38.487 -0.028 0.000 1.004 406 N HN 0.155 nan 8.380 nan 0.000 0.499 407 G N 0.052 108.833 108.800 -0.033 0.000 2.334 407 G HA2 0.003 3.963 3.960 0.001 0.000 0.249 407 G HA3 0.003 3.963 3.960 0.001 0.000 0.249 407 G C -3.160 171.718 174.900 -0.036 0.000 1.327 407 G CA -0.937 44.144 45.100 -0.031 0.000 0.979 407 G HN -0.098 nan 8.290 nan 0.000 0.471 408 P HA 0.353 nan 4.420 nan 0.000 0.277 408 P C -2.603 174.653 177.300 -0.073 0.000 1.240 408 P CA -1.004 62.072 63.100 -0.040 0.000 0.798 408 P CB 1.040 32.725 31.700 -0.025 0.000 0.979 409 P HA 0.111 nan 4.420 nan 0.000 0.274 409 P C 0.760 177.942 177.300 -0.196 0.000 1.231 409 P CA -0.216 62.798 63.100 -0.144 0.000 0.790 409 P CB 1.222 32.828 31.700 -0.157 0.000 0.951 410 K N 1.438 121.698 120.400 -0.233 0.000 2.148 410 K HA 0.008 4.328 4.320 0.001 0.000 0.204 410 K C 0.290 176.600 176.600 -0.483 0.000 1.050 410 K CA 0.961 57.074 56.287 -0.290 0.000 0.942 410 K CB -0.051 32.293 32.500 -0.259 0.000 0.724 410 K HN 0.452 nan 8.250 nan 0.000 0.446 411 L N 1.008 121.879 121.223 -0.587 0.000 2.410 411 L HA 0.325 4.665 4.340 0.001 0.000 0.270 411 L C -1.018 175.434 176.870 -0.698 0.000 0.983 411 L CA -0.847 53.399 54.840 -0.991 0.000 0.822 411 L CB 2.111 43.390 42.059 -1.300 0.000 1.285 411 L HN 0.060 nan 8.230 nan 0.000 0.409 412 S N 2.299 117.649 115.700 -0.583 0.000 2.543 412 S HA 0.632 5.102 4.470 0.001 0.000 0.274 412 S C -0.939 173.826 174.600 0.274 0.000 1.149 412 S CA -1.056 57.084 58.200 -0.099 0.000 0.866 412 S CB 1.608 64.778 63.200 -0.051 0.000 1.111 412 S HN 0.504 nan 8.310 nan 0.000 0.457 413 M N 1.958 121.789 119.600 0.384 0.000 2.255 413 M HA 0.387 4.867 4.480 0.001 0.000 0.336 413 M C 0.413 176.971 176.300 0.430 0.000 1.135 413 M CA -0.498 55.082 55.300 0.468 0.000 1.145 413 M CB 0.317 33.135 32.600 0.363 0.000 1.473 413 M HN 0.842 nan 8.290 nan 0.000 0.462 414 F N 0.740 120.874 119.950 0.305 0.000 2.502 414 F HA 0.235 4.762 4.527 0.001 0.000 0.298 414 F C 0.887 176.953 175.800 0.444 0.000 1.111 414 F CA 0.866 59.075 58.000 0.348 0.000 1.445 414 F CB 0.282 39.411 39.000 0.214 0.000 1.081 414 F HN 0.571 nan 8.300 nan 0.000 0.558 415 G N -0.728 108.296 108.800 0.373 0.000 2.355 415 G HA2 0.448 4.408 3.960 0.001 0.000 0.296 415 G HA3 0.448 4.408 3.960 0.001 0.000 0.296 415 G C -2.299 172.793 174.900 0.321 0.000 1.507 415 G CA -0.574 44.722 45.100 0.327 0.000 0.823 415 G HN -0.028 nan 8.290 nan 0.000 0.569 416 V N 0.146 120.245 119.914 0.308 0.000 2.686 416 V HA 0.733 4.854 4.120 0.001 0.000 0.306 416 V C -0.230 176.098 176.094 0.390 0.000 1.065 416 V CA -0.624 61.860 62.300 0.307 0.000 0.894 416 V CB 2.254 34.239 31.823 0.271 0.000 1.004 416 V HN 0.919 nan 8.190 nan 0.000 0.424 417 T N 4.247 119.015 114.554 0.356 0.000 2.779 417 T HA 0.453 4.803 4.350 0.001 0.000 0.280 417 T C -1.030 173.875 174.700 0.342 0.000 0.987 417 T CA -0.186 62.134 62.100 0.367 0.000 0.966 417 T CB 0.776 69.793 68.868 0.248 0.000 0.933 417 T HN 0.525 nan 8.240 nan 0.000 0.442 418 Y N 4.008 124.483 120.300 0.292 0.000 2.326 418 Y HA 0.600 5.150 4.550 0.001 0.000 0.337 418 Y C -0.651 175.355 175.900 0.177 0.000 1.023 418 Y CA -1.166 57.096 58.100 0.270 0.000 1.143 418 Y CB 0.669 39.402 38.460 0.455 0.000 1.183 418 Y HN 0.577 nan 8.280 nan 0.000 0.485 419 L N 8.510 129.404 121.223 -0.549 0.000 2.272 419 L HA 0.634 4.975 4.340 0.001 0.000 0.289 419 L C -0.874 175.548 176.870 -0.747 0.000 1.032 419 L CA -0.433 54.161 54.840 -0.410 0.000 0.810 419 L CB 0.470 42.376 42.059 -0.256 0.000 1.205 419 L HN 0.866 nan 8.230 nan 0.000 0.422 420 R N 4.340 124.660 120.500 -0.299 0.000 2.752 420 R HA 0.428 4.769 4.340 0.001 0.000 0.271 420 R C -1.724 174.669 176.300 0.156 0.000 1.026 420 R CA -0.891 55.205 56.100 -0.006 0.000 0.901 420 R CB 1.557 31.859 30.300 0.004 0.000 1.243 420 R HN 0.693 nan 8.270 nan 0.000 0.463 421 L N 3.024 124.338 121.223 0.153 0.000 2.410 421 L HA 0.272 4.612 4.340 0.001 0.000 0.273 421 L C -0.815 176.112 176.870 0.095 0.000 1.144 421 L CA 0.639 55.553 54.840 0.123 0.000 0.863 421 L CB 0.728 42.845 42.059 0.096 0.000 1.140 421 L HN 0.899 nan 8.230 nan 0.000 0.463 422 S N 1.821 117.569 115.700 0.081 0.000 2.611 422 S HA 0.267 4.737 4.470 0.001 0.000 0.268 422 S C 0.075 174.677 174.600 0.003 0.000 1.156 422 S CA -0.905 57.329 58.200 0.057 0.000 0.817 422 S CB 1.256 64.516 63.200 0.101 0.000 1.122 422 S HN 0.632 nan 8.310 nan 0.000 0.466 423 D N 0.877 121.265 120.400 -0.020 0.000 2.218 423 D HA -0.083 4.558 4.640 0.001 0.000 0.204 423 D C 0.852 177.097 176.300 -0.091 0.000 0.976 423 D CA 1.337 55.299 54.000 -0.063 0.000 0.853 423 D CB -0.257 40.512 40.800 -0.052 0.000 0.939 423 D HN 0.564 nan 8.370 nan 0.000 0.481 424 D N 0.407 120.757 120.400 -0.084 0.000 2.117 424 D HA -0.121 4.520 4.640 0.001 0.000 0.197 424 D C 2.138 178.274 176.300 -0.274 0.000 0.987 424 D CA 0.276 54.148 54.000 -0.214 0.000 0.829 424 D CB -0.298 40.345 40.800 -0.261 0.000 0.961 424 D HN 0.157 nan 8.370 nan 0.000 0.460 425 L N 0.136 121.322 121.223 -0.062 0.000 2.083 425 L HA -0.103 4.237 4.340 0.001 0.000 0.209 425 L C 1.640 178.500 176.870 -0.016 0.000 1.083 425 L CA 1.314 56.197 54.840 0.070 0.000 0.752 425 L CB -0.265 41.894 42.059 0.166 0.000 0.899 425 L HN -0.045 nan 8.230 nan 0.000 0.433 426 L N -0.339 120.775 121.223 -0.182 0.000 2.554 426 L HA 0.090 4.430 4.340 0.001 0.000 0.226 426 L C 1.196 177.939 176.870 -0.213 0.000 1.137 426 L CA 0.626 55.220 54.840 -0.411 0.000 0.863 426 L CB -1.260 40.529 42.059 -0.449 0.000 0.985 426 L HN 0.406 nan 8.230 nan 0.000 0.451 427 Q N 1.092 120.824 119.800 -0.113 0.000 2.315 427 Q HA -0.126 4.215 4.340 0.001 0.000 0.289 427 Q C 1.425 177.434 176.000 0.015 0.000 1.044 427 Q CA 0.122 55.883 55.803 -0.069 0.000 0.920 427 Q CB 0.786 29.466 28.738 -0.097 0.000 1.214 427 Q HN 0.081 nan 8.270 nan 0.000 0.392 428 K N 2.800 123.213 120.400 0.022 0.000 2.030 428 K HA -0.244 4.077 4.320 0.001 0.000 0.222 428 K C 1.548 178.210 176.600 0.103 0.000 1.056 428 K CA 2.668 58.999 56.287 0.074 0.000 0.957 428 K CB -0.520 32.005 32.500 0.041 0.000 0.727 428 K HN 0.664 nan 8.250 nan 0.000 0.452 429 S N 1.272 117.009 115.700 0.062 0.000 2.368 429 S HA -0.090 4.380 4.470 0.001 0.000 0.225 429 S C 1.723 176.383 174.600 0.101 0.000 1.030 429 S CA 1.278 59.517 58.200 0.066 0.000 0.999 429 S CB -0.348 62.875 63.200 0.038 0.000 0.844 429 S HN 0.377 nan 8.310 nan 0.000 0.459 430 N N 1.069 119.825 118.700 0.093 0.000 2.084 430 N HA -0.029 4.712 4.740 0.001 0.000 0.190 430 N C 1.399 177.069 175.510 0.267 0.000 1.030 430 N CA 0.925 54.067 53.050 0.153 0.000 0.849 430 N CB -0.633 37.858 38.487 0.007 0.000 1.012 430 N HN 0.315 nan 8.380 nan 0.000 0.423 431 F N 1.966 121.949 119.950 0.055 0.000 2.216 431 F HA -0.092 4.436 4.527 0.002 0.000 0.300 431 F C 2.047 177.916 175.800 0.114 0.000 1.085 431 F CA 0.883 58.930 58.000 0.079 0.000 1.326 431 F CB -0.531 38.479 39.000 0.017 0.000 1.027 431 F HN 0.020 nan 8.300 nan 0.000 0.497 432 N N 0.309 119.086 118.700 0.127 0.000 2.120 432 N HA -0.168 4.572 4.740 0.001 0.000 0.188 432 N C 1.891 177.383 175.510 -0.031 0.000 1.024 432 N CA 1.857 54.915 53.050 0.013 0.000 0.852 432 N CB -0.221 38.294 38.487 0.047 0.000 1.003 432 N HN 0.318 nan 8.380 nan 0.000 0.424 433 I N -0.790 119.806 120.570 0.044 0.000 2.286 433 I HA -0.195 3.975 4.170 0.001 0.000 0.245 433 I C 1.718 177.755 176.117 -0.134 0.000 1.104 433 I CA 0.623 61.939 61.300 0.027 0.000 1.397 433 I CB -0.326 37.787 38.000 0.189 0.000 1.072 433 I HN 0.128 nan 8.210 nan 0.000 0.417 434 F N 2.348 122.143 119.950 -0.258 0.000 2.161 434 F HA -0.244 4.284 4.527 0.002 0.000 0.300 434 F C 2.381 177.913 175.800 -0.448 0.000 1.089 434 F CA 1.747 59.475 58.000 -0.453 0.000 1.282 434 F CB -0.231 38.605 39.000 -0.274 0.000 1.010 434 F HN -0.134 nan 8.300 nan 0.000 0.485 435 K N 0.124 120.278 120.400 -0.410 0.000 2.097 435 K HA -0.179 4.142 4.320 0.001 0.000 0.206 435 K C 2.040 178.374 176.600 -0.442 0.000 1.049 435 K CA 1.665 57.667 56.287 -0.475 0.000 0.933 435 K CB -0.161 32.112 32.500 -0.378 0.000 0.717 435 K HN 0.284 nan 8.250 nan 0.000 0.442 436 K N 0.015 120.210 120.400 -0.341 0.000 2.103 436 K HA -0.120 4.201 4.320 0.001 0.000 0.204 436 K C 1.977 178.366 176.600 -0.351 0.000 1.052 436 K CA 1.052 57.172 56.287 -0.280 0.000 0.945 436 K CB -0.185 32.213 32.500 -0.169 0.000 0.722 436 K HN 0.076 nan 8.250 nan 0.000 0.443 437 F N 1.919 121.474 119.950 -0.659 0.000 2.095 437 F HA -0.225 4.303 4.527 0.001 0.000 0.298 437 F C 1.836 177.195 175.800 -0.736 0.000 1.104 437 F CA 1.194 58.743 58.000 -0.752 0.000 1.232 437 F CB -0.560 37.665 39.000 -1.292 0.000 0.987 437 F HN -0.296 nan 8.300 nan 0.000 0.475 438 V N 0.721 119.940 119.914 -1.158 0.000 2.295 438 V HA -0.279 3.841 4.120 0.001 0.000 0.246 438 V C 2.464 177.920 176.094 -1.064 0.000 1.049 438 V CA 1.824 63.359 62.300 -1.276 0.000 1.024 438 V CB -0.997 30.204 31.823 -1.037 0.000 0.648 438 V HN 0.486 nan 8.190 nan 0.000 0.447 439 L N 0.213 121.033 121.223 -0.672 0.000 2.012 439 L HA -0.159 4.181 4.340 0.001 0.000 0.210 439 L C 2.424 179.057 176.870 -0.396 0.000 1.073 439 L CA 2.006 56.587 54.840 -0.433 0.000 0.748 439 L CB -0.730 41.162 42.059 -0.278 0.000 0.891 439 L HN 0.151 nan 8.230 nan 0.000 0.431 440 K N -0.988 119.171 120.400 -0.402 0.000 2.097 440 K HA -0.051 4.270 4.320 0.001 0.000 0.205 440 K C 2.038 178.420 176.600 -0.363 0.000 1.050 440 K CA 1.165 57.271 56.287 -0.302 0.000 0.938 440 K CB -0.498 31.877 32.500 -0.209 0.000 0.718 440 K HN 0.341 nan 8.250 nan 0.000 0.442 441 M N 0.119 119.369 119.600 -0.585 0.000 2.229 441 M HA -0.106 4.374 4.480 0.001 0.000 0.264 441 M C 1.449 177.447 176.300 -0.504 0.000 1.063 441 M CA 1.529 56.483 55.300 -0.577 0.000 1.114 441 M CB -0.951 31.128 32.600 -0.868 0.000 1.387 441 M HN 0.289 nan 8.290 nan 0.000 0.420 442 H N -0.147 118.500 119.070 -0.705 0.000 2.543 442 H HA 0.297 4.853 4.556 0.001 0.000 0.269 442 H C 0.765 175.843 175.328 -0.417 0.000 1.005 442 H CA 0.032 55.563 56.048 -0.862 0.000 1.146 442 H CB 0.113 29.376 29.762 -0.832 0.000 1.353 442 H HN 0.466 nan 8.280 nan 0.000 0.595 443 A N 1.705 124.399 122.820 -0.209 0.000 2.739 443 A HA -0.268 4.052 4.320 0.001 0.000 0.296 443 A C 0.405 177.934 177.584 -0.092 0.000 1.488 443 A CA 0.765 52.722 52.037 -0.132 0.000 0.746 443 A CB -1.961 16.981 19.000 -0.097 0.000 1.047 443 A HN 0.731 nan 8.150 nan 0.000 0.477 444 D N -2.326 118.009 120.400 -0.108 0.000 3.076 444 D HA -0.161 4.479 4.640 0.001 0.000 0.218 444 D C 0.213 176.487 176.300 -0.042 0.000 1.156 444 D CA 2.012 55.965 54.000 -0.079 0.000 0.921 444 D CB -0.564 40.196 40.800 -0.066 0.000 1.113 444 D HN 0.885 nan 8.370 nan 0.000 0.418 445 Q N 0.476 120.268 119.800 -0.015 0.000 2.215 445 Q HA 0.379 4.719 4.340 0.001 0.000 0.256 445 Q C 0.260 176.298 176.000 0.063 0.000 0.972 445 Q CA -0.467 55.352 55.803 0.026 0.000 0.889 445 Q CB 1.114 29.892 28.738 0.067 0.000 1.281 445 Q HN 0.040 nan 8.270 nan 0.000 0.456 446 D N 0.478 120.910 120.400 0.054 0.000 2.360 446 D HA -0.002 4.638 4.640 0.001 0.000 0.242 446 D C -0.247 176.140 176.300 0.145 0.000 1.184 446 D CA -0.092 53.962 54.000 0.090 0.000 0.930 446 D CB 0.223 41.056 40.800 0.054 0.000 1.161 446 D HN 0.336 nan 8.370 nan 0.000 0.447 447 Y N 0.627 120.978 120.300 0.086 0.000 2.810 447 Y HA 0.025 4.576 4.550 0.001 0.000 0.332 447 Y C -0.301 175.605 175.900 0.009 0.000 1.243 447 Y CA -0.601 57.544 58.100 0.076 0.000 1.537 447 Y CB 0.304 38.814 38.460 0.084 0.000 1.265 447 Y HN 0.238 nan 8.280 nan 0.000 0.572 448 C N 8.025 126.855 119.300 -0.782 0.000 2.291 448 C HA 0.699 5.160 4.460 0.001 0.000 0.322 448 C C 1.267 175.694 174.990 -0.939 0.000 1.205 448 C CA -0.118 58.428 59.018 -0.786 0.000 1.495 448 C CB -1.045 26.287 27.740 -0.681 0.000 2.127 448 C HN 1.086 nan 8.230 nan 0.000 0.452 449 A N 4.540 126.844 122.820 -0.860 0.000 1.969 449 A HA -0.010 4.311 4.320 0.001 0.000 0.218 449 A C 1.211 178.660 177.584 -0.225 0.000 1.169 449 A CA 1.180 52.952 52.037 -0.442 0.000 0.635 449 A CB -0.282 18.628 19.000 -0.149 0.000 0.810 449 A HN 0.818 nan 8.150 nan 0.000 0.445 450 N N -0.006 118.535 118.700 -0.265 0.000 2.500 450 N HA 0.273 5.014 4.740 0.001 0.000 0.236 450 N C -2.325 172.934 175.510 -0.418 0.000 1.022 450 N CA -2.211 50.692 53.050 -0.245 0.000 0.935 450 N CB 1.209 39.578 38.487 -0.196 0.000 1.147 450 N HN -0.071 nan 8.380 nan 0.000 0.512 451 P HA -0.160 nan 4.420 nan 0.000 0.220 451 P C 1.152 177.943 177.300 -0.848 0.000 1.144 451 P CA 1.029 63.562 63.100 -0.944 0.000 0.800 451 P CB 0.388 31.840 31.700 -0.414 0.000 0.772 452 Q N 0.262 119.801 119.800 -0.434 0.000 2.124 452 Q HA -0.198 4.142 4.340 0.001 0.000 0.202 452 Q C 1.845 177.675 176.000 -0.284 0.000 0.977 452 Q CA 1.486 57.123 55.803 -0.277 0.000 0.850 452 Q CB -0.225 28.410 28.738 -0.170 0.000 0.901 452 Q HN 0.199 nan 8.270 nan 0.000 0.429 453 K N -0.041 120.163 120.400 -0.327 0.000 2.152 453 K HA -0.188 4.132 4.320 0.001 0.000 0.206 453 K C 0.992 177.497 176.600 -0.157 0.000 1.048 453 K CA 1.572 57.725 56.287 -0.223 0.000 0.933 453 K CB -0.134 32.237 32.500 -0.215 0.000 0.721 453 K HN 0.475 nan 8.250 nan 0.000 0.447 454 Y N -0.952 119.210 120.300 -0.231 0.000 2.756 454 Y HA 0.351 4.901 4.550 0.001 0.000 0.300 454 Y C -0.351 175.535 175.900 -0.024 0.000 1.113 454 Y CA -0.989 56.994 58.100 -0.196 0.000 1.291 454 Y CB -0.990 37.238 38.460 -0.387 0.000 1.175 454 Y HN 0.047 nan 8.280 nan 0.000 0.534 455 N N 1.006 119.705 118.700 -0.002 0.000 2.740 455 N HA -0.279 4.462 4.740 0.001 0.000 0.248 455 N C -0.747 174.879 175.510 0.194 0.000 1.062 455 N CA 0.547 53.644 53.050 0.079 0.000 0.704 455 N CB -0.953 37.608 38.487 0.122 0.000 0.968 455 N HN 0.683 nan 8.380 nan 0.000 0.547 456 H N -0.865 118.097 119.070 -0.180 0.000 2.549 456 H HA 0.452 5.008 4.556 0.001 0.000 0.253 456 H C 0.219 175.492 175.328 -0.091 0.000 1.170 456 H CA 0.508 56.499 56.048 -0.095 0.000 0.943 456 H CB 0.510 30.144 29.762 -0.214 0.000 1.849 456 H HN 0.439 nan 8.280 nan 0.000 0.603 457 A N 0.960 123.771 122.820 -0.014 0.000 2.477 457 A HA 0.328 4.649 4.320 0.001 0.000 0.246 457 A C 0.053 177.653 177.584 0.028 0.000 1.078 457 A CA -0.046 51.977 52.037 -0.024 0.000 0.770 457 A CB -0.036 18.938 19.000 -0.043 0.000 1.011 457 A HN 0.428 nan 8.150 nan 0.000 0.494 458 I N 2.660 123.249 120.570 0.032 0.000 2.339 458 I HA 0.294 4.464 4.170 0.001 0.000 0.290 458 I C 0.746 176.872 176.117 0.016 0.000 0.994 458 I CA -0.314 61.012 61.300 0.044 0.000 1.191 458 I CB 1.795 39.836 38.000 0.068 0.000 1.343 458 I HN 0.819 nan 8.210 nan 0.000 0.458 459 T N 3.277 117.832 114.554 0.002 0.000 2.944 459 T HA 0.511 4.861 4.350 0.001 0.000 0.284 459 T C -2.597 172.098 174.700 -0.008 0.000 1.010 459 T CA -2.276 59.818 62.100 -0.010 0.000 1.025 459 T CB 1.302 70.155 68.868 -0.025 0.000 1.079 459 T HN 0.177 nan 8.240 nan 0.000 0.516 460 P HA 0.072 nan 4.420 nan 0.000 0.264 460 P C -0.067 177.230 177.300 -0.006 0.000 1.183 460 P CA -0.310 62.793 63.100 0.004 0.000 0.763 460 P CB 0.259 31.960 31.700 0.002 0.000 0.807 461 L N 3.986 125.220 121.223 0.018 0.000 2.499 461 L HA 0.032 4.373 4.340 0.001 0.000 0.273 461 L C 0.757 177.633 176.870 0.010 0.000 1.195 461 L CA 0.369 55.221 54.840 0.019 0.000 0.882 461 L CB 0.216 42.321 42.059 0.076 0.000 1.133 461 L HN 0.332 nan 8.230 nan 0.000 0.483 462 K N 5.976 126.355 120.400 -0.035 0.000 2.106 462 K HA 0.507 4.828 4.320 0.001 0.000 0.246 462 K C -2.329 174.305 176.600 0.056 0.000 0.987 462 K CA -1.693 54.577 56.287 -0.028 0.000 0.904 462 K CB 0.928 33.353 32.500 -0.124 0.000 1.071 462 K HN 0.423 nan 8.250 nan 0.000 0.453 463 P HA 0.039 nan 4.420 nan 0.000 0.272 463 P C -0.369 177.034 177.300 0.172 0.000 1.223 463 P CA -0.099 63.064 63.100 0.105 0.000 0.784 463 P CB 0.535 32.276 31.700 0.069 0.000 0.923 464 S N 0.323 116.118 115.700 0.159 0.000 2.579 464 S HA 0.350 4.821 4.470 0.001 0.000 0.275 464 S C 0.690 175.299 174.600 0.015 0.000 1.345 464 S CA -0.365 57.892 58.200 0.095 0.000 1.031 464 S CB 0.239 63.472 63.200 0.054 0.000 0.892 464 S HN 0.662 nan 8.310 nan 0.000 0.529 465 A N 3.013 125.772 122.820 -0.101 0.000 2.296 465 A HA 0.544 4.864 4.320 0.001 0.000 0.264 465 A C -2.330 175.192 177.584 -0.103 0.000 1.097 465 A CA -1.398 50.590 52.037 -0.081 0.000 0.811 465 A CB -0.802 18.123 19.000 -0.125 0.000 1.072 465 A HN 0.537 nan 8.150 nan 0.000 0.495 466 P HA -0.000 nan 4.420 nan 0.000 0.267 466 P C -0.286 176.968 177.300 -0.078 0.000 1.201 466 P CA -0.071 62.998 63.100 -0.052 0.000 0.775 466 P CB 0.367 32.049 31.700 -0.030 0.000 0.854 467 K N 2.453 122.821 120.400 -0.054 0.000 2.451 467 K HA 0.126 4.447 4.320 0.001 0.000 0.280 467 K C -0.006 176.569 176.600 -0.043 0.000 1.020 467 K CA 0.284 56.541 56.287 -0.050 0.000 1.008 467 K CB -0.077 32.413 32.500 -0.016 0.000 0.917 467 K HN 0.413 nan 8.250 nan 0.000 0.478 468 I N 7.364 127.905 120.570 -0.049 0.000 2.315 468 I HA 0.149 4.320 4.170 0.001 0.000 0.291 468 I C -1.630 174.479 176.117 -0.013 0.000 1.006 468 I CA -2.109 59.171 61.300 -0.034 0.000 1.265 468 I CB 1.426 39.400 38.000 -0.043 0.000 1.387 468 I HN 0.395 nan 8.210 nan 0.000 0.475 469 P HA -0.013 nan 4.420 nan 0.000 0.266 469 P C 0.864 178.169 177.300 0.009 0.000 1.195 469 P CA -0.190 62.913 63.100 0.006 0.000 0.768 469 P CB 1.348 33.054 31.700 0.010 0.000 0.838 470 I N 2.660 123.240 120.570 0.016 0.000 2.236 470 I HA -0.303 3.867 4.170 0.001 0.000 0.249 470 I C 2.166 178.294 176.117 0.018 0.000 1.102 470 I CA 1.810 63.121 61.300 0.018 0.000 1.365 470 I CB -0.620 37.395 38.000 0.025 0.000 1.051 470 I HN 0.467 nan 8.210 nan 0.000 0.420 471 E N -0.088 120.125 120.200 0.022 0.000 2.150 471 E HA -0.158 4.192 4.350 0.001 0.000 0.193 471 E C 2.126 178.734 176.600 0.013 0.000 0.985 471 E CA 1.751 58.164 56.400 0.022 0.000 0.814 471 E CB -1.061 28.654 29.700 0.026 0.000 0.752 471 E HN 0.429 nan 8.360 nan 0.000 0.466 472 V N 1.071 120.990 119.914 0.009 0.000 2.453 472 V HA -0.184 3.937 4.120 0.001 0.000 0.247 472 V C 2.427 178.522 176.094 0.001 0.000 1.048 472 V CA 0.973 63.275 62.300 0.004 0.000 1.049 472 V CB -0.451 31.372 31.823 -0.000 0.000 0.672 472 V HN 0.113 nan 8.190 nan 0.000 0.457 473 L N -0.360 120.863 121.223 0.001 0.000 2.017 473 L HA -0.085 4.256 4.340 0.001 0.000 0.208 473 L C 2.139 179.008 176.870 -0.002 0.000 1.073 473 L CA 1.857 56.697 54.840 -0.001 0.000 0.745 473 L CB -0.739 41.322 42.059 0.003 0.000 0.894 473 L HN 0.229 nan 8.230 nan 0.000 0.432 474 L N -1.015 120.209 121.223 0.001 0.000 2.549 474 L HA -0.158 4.183 4.340 0.001 0.000 0.229 474 L C 2.078 178.942 176.870 -0.010 0.000 1.158 474 L CA 0.505 55.342 54.840 -0.004 0.000 0.842 474 L CB -0.518 41.545 42.059 0.007 0.000 0.952 474 L HN 0.389 nan 8.230 nan 0.000 0.452 475 E N 0.538 120.735 120.200 -0.005 0.000 2.274 475 E HA -0.110 4.241 4.350 0.001 0.000 0.194 475 E C 2.110 178.703 176.600 -0.012 0.000 0.996 475 E CA 0.742 57.138 56.400 -0.007 0.000 0.840 475 E CB 0.054 29.754 29.700 -0.001 0.000 0.772 475 E HN 0.484 nan 8.360 nan 0.000 0.491 476 A N 1.021 123.834 122.820 -0.012 0.000 2.239 476 A HA -0.082 4.239 4.320 0.001 0.000 0.209 476 A C 2.163 179.731 177.584 -0.027 0.000 1.171 476 A CA 1.233 53.262 52.037 -0.013 0.000 0.768 476 A CB -0.639 18.357 19.000 -0.006 0.000 0.790 476 A HN 0.307 nan 8.150 nan 0.000 0.478 477 T N -2.338 112.191 114.554 -0.042 0.000 3.118 477 T HA 0.032 4.383 4.350 0.001 0.000 0.260 477 T C 0.823 175.484 174.700 -0.066 0.000 1.139 477 T CA 0.410 62.467 62.100 -0.072 0.000 1.085 477 T CB -0.422 68.385 68.868 -0.101 0.000 0.934 477 T HN 0.412 nan 8.240 nan 0.000 0.518 478 K N 3.033 123.407 120.400 -0.043 0.000 2.436 478 K HA 0.174 4.494 4.320 0.001 0.000 0.282 478 K C -2.611 173.968 176.600 -0.035 0.000 1.044 478 K CA -1.758 54.507 56.287 -0.036 0.000 1.028 478 K CB 0.229 32.715 32.500 -0.023 0.000 0.919 478 K HN 0.128 nan 8.250 nan 0.000 0.474 479 P HA -0.008 nan 4.420 nan 0.000 0.268 479 P C -1.049 176.236 177.300 -0.026 0.000 1.204 479 P CA 0.001 63.083 63.100 -0.031 0.000 0.768 479 P CB 0.914 32.596 31.700 -0.030 0.000 0.842 480 T N 0.017 114.554 114.554 -0.028 0.000 2.906 480 T HA 0.592 4.943 4.350 0.001 0.000 0.295 480 T C -0.326 174.345 174.700 -0.048 0.000 1.075 480 T CA -1.040 61.035 62.100 -0.042 0.000 1.005 480 T CB 0.684 69.517 68.868 -0.057 0.000 1.136 480 T HN 0.059 nan 8.240 nan 0.000 0.498 481 L N 2.806 123.989 121.223 -0.065 0.000 2.349 481 L HA 0.425 4.765 4.340 0.001 0.000 0.275 481 L C -1.469 175.340 176.870 -0.102 0.000 1.115 481 L CA -1.834 52.972 54.840 -0.056 0.000 0.820 481 L CB 0.327 42.360 42.059 -0.044 0.000 1.135 481 L HN 0.586 nan 8.230 nan 0.000 0.445 482 P HA 0.143 nan 4.420 nan 0.000 0.274 482 P C -0.701 176.631 177.300 0.054 0.000 1.256 482 P CA -0.362 62.747 63.100 0.015 0.000 0.795 482 P CB 0.539 32.279 31.700 0.067 0.000 1.038 483 F N 0.137 120.287 119.950 0.334 0.000 2.444 483 F HA 0.255 4.782 4.527 0.001 0.000 0.331 483 F C -1.442 174.589 175.800 0.385 0.000 1.167 483 F CA -1.575 56.613 58.000 0.313 0.000 1.262 483 F CB -0.937 38.257 39.000 0.323 0.000 1.196 483 F HN 0.164 nan 8.300 nan 0.000 0.583 484 P HA -0.027 nan 4.420 nan 0.000 0.271 484 P C -0.914 176.622 177.300 0.394 0.000 1.216 484 P CA -0.103 63.204 63.100 0.344 0.000 0.771 484 P CB 0.429 32.250 31.700 0.202 0.000 0.864 485 W N 3.712 125.081 121.300 0.114 0.000 2.573 485 W HA 0.297 4.958 4.660 0.001 0.000 0.326 485 W C -0.583 175.976 176.519 0.068 0.000 1.049 485 W CA -0.709 56.696 57.345 0.100 0.000 1.220 485 W CB 1.782 31.303 29.460 0.101 0.000 1.373 485 W HN 0.200 nan 8.180 nan 0.000 0.507 486 L N 6.324 127.629 121.223 0.137 0.000 2.452 486 L HA 0.132 4.472 4.340 0.001 0.000 0.267 486 L C -0.797 176.176 176.870 0.170 0.000 1.188 486 L CA -1.425 53.476 54.840 0.102 0.000 0.821 486 L CB 0.238 42.307 42.059 0.017 0.000 1.102 486 L HN 0.257 nan 8.230 nan 0.000 0.470 487 P HA -0.071 nan 4.420 nan 0.000 0.222 487 P C -0.653 176.710 177.300 0.106 0.000 1.153 487 P CA 0.814 63.983 63.100 0.115 0.000 0.798 487 P CB 0.349 32.097 31.700 0.079 0.000 0.796 488 E N -2.577 117.675 120.200 0.087 0.000 2.407 488 E HA 0.358 4.709 4.350 0.001 0.000 0.279 488 E C -1.091 175.540 176.600 0.052 0.000 1.012 488 E CA -0.937 55.507 56.400 0.073 0.000 0.800 488 E CB 0.714 30.446 29.700 0.052 0.000 1.276 488 E HN -0.334 nan 8.360 nan 0.000 0.452 489 T N -0.011 114.571 114.554 0.047 0.000 2.898 489 T HA 0.053 4.403 4.350 0.001 0.000 0.301 489 T C 0.544 175.247 174.700 0.005 0.000 1.049 489 T CA 0.329 62.442 62.100 0.021 0.000 1.095 489 T CB 0.458 69.343 68.868 0.028 0.000 0.976 489 T HN 0.625 nan 8.240 nan 0.000 0.539 490 D N 2.617 123.008 120.400 -0.014 0.000 2.339 490 D HA 0.021 4.662 4.640 0.001 0.000 0.217 490 D C 0.512 176.796 176.300 -0.026 0.000 1.050 490 D CA 0.231 54.219 54.000 -0.020 0.000 0.856 490 D CB 0.119 40.901 40.800 -0.030 0.000 0.922 490 D HN 0.347 nan 8.370 nan 0.000 0.518 491 M N 1.196 120.780 119.600 -0.028 0.000 3.003 491 M HA 0.250 4.730 4.480 0.001 0.000 0.221 491 M C -0.497 175.789 176.300 -0.024 0.000 1.126 491 M CA -0.315 54.961 55.300 -0.041 0.000 0.778 491 M CB 0.836 33.396 32.600 -0.066 0.000 1.380 491 M HN -0.191 nan 8.290 nan 0.000 0.508 492 K N -0.078 120.316 120.400 -0.009 0.000 2.258 492 K HA 0.246 4.566 4.320 0.001 0.000 0.264 492 K C 1.112 177.712 176.600 0.000 0.000 1.007 492 K CA -0.326 55.966 56.287 0.010 0.000 0.941 492 K CB 1.920 34.429 32.500 0.015 0.000 0.966 492 K HN 0.093 nan 8.250 nan 0.000 0.480 493 V N 1.866 121.794 119.914 0.023 0.000 3.052 493 V HA -0.139 3.981 4.120 0.001 0.000 0.254 493 V C 0.388 176.491 176.094 0.015 0.000 1.100 493 V CA 1.142 63.448 62.300 0.011 0.000 1.112 493 V CB -0.797 31.057 31.823 0.053 0.000 0.738 493 V HN 0.955 nan 8.190 nan 0.000 0.469 494 D N -0.731 119.685 120.400 0.026 0.000 4.403 494 D HA -0.117 4.523 4.640 0.001 0.000 0.167 494 D C 0.560 176.880 176.300 0.034 0.000 0.866 494 D CA 1.725 55.738 54.000 0.023 0.000 1.992 494 D CB -1.489 39.317 40.800 0.010 0.000 1.101 494 D HN 0.657 nan 8.370 nan 0.000 0.454 495 G N 0.000 108.822 108.800 0.036 0.000 5.446 495 G HA2 0.000 3.961 3.960 0.001 0.000 0.244 495 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 495 G CA 0.000 45.127 45.100 0.045 0.000 0.502 495 G HN 0.000 nan 8.290 nan 0.000 0.925