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 1clv_1_A DATA FIRST_RESID 2 DATA SEQUENCE KDANFASGRN SIVHLFEWKW NDIADEcERF LQPQGFGGVQ ISPPNEYLVA DATA SEQUENCE DGRPWWERYQ PVSYIINTRS GDESAFTDMT RRcNDAGVRI YVDAVINHMT DATA SEQUENCE GMNGVGTSGS SADHDGMNYP AVPYGSGDFH SPcEVNNYQD ADNVRNcELV DATA SEQUENCE GLRDLNQGSD YVRGVLIDYM NHMIDLGVAG FRVDAAKHMS PGDLSVIFSG DATA SEQUENCE LKNLNTDYGF ADGARPFIYQ EVIDLGGEAI SKNEYTGFGC VLEFQFGVSL DATA SEQUENCE GNAFQGGNQL KNLANWGPEW GLLEGLDAVV FVDNHDNQRT GGSQILTYKN DATA SEQUENCE PKPYKMAIAF MLAHPYGTTR IMSSFDFTDN DQGPPQDGSG NLISPGINDD DATA SEQUENCE NTcSNGYVcE HRWRQVYGMV GFRNAVEGTQ VENWWSNDDN QIAFSRGSQG DATA SEQUENCE FVAFTNGGDL NQNLNTGLPA GTYcDVISGE LSGGScTGKS VTVGDNGSAD DATA SEQUENCE ISLGSAEDDG VLAIHVNAKL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.735 176.600 0.225 0.000 0.988 2 K CA 0.000 56.446 56.287 0.264 0.000 0.838 2 K CB 0.000 32.566 32.500 0.110 0.000 1.064 3 D N 1.070 121.538 120.400 0.113 0.000 2.274 3 D HA 0.324 4.965 4.640 0.002 0.000 0.239 3 D C 0.809 176.848 176.300 -0.436 0.000 1.104 3 D CA -0.058 53.855 54.000 -0.144 0.000 0.840 3 D CB 1.738 42.495 40.800 -0.071 0.000 1.100 3 D HN 0.200 nan 8.370 nan 0.000 0.477 4 A N 4.298 126.485 122.820 -1.055 0.000 2.125 4 A HA -0.143 4.178 4.320 0.002 0.000 0.219 4 A C 0.984 178.151 177.584 -0.695 0.000 1.156 4 A CA 0.566 51.624 52.037 -1.631 0.000 0.671 4 A CB -0.313 17.321 19.000 -2.277 0.000 0.794 4 A HN 0.806 nan 8.150 nan 0.000 0.459 5 N N -1.987 116.484 118.700 -0.382 0.000 2.776 5 N HA -0.139 4.601 4.740 0.002 0.000 0.250 5 N C -0.688 174.896 175.510 0.123 0.000 1.112 5 N CA 0.911 53.943 53.050 -0.031 0.000 0.733 5 N CB -1.910 36.633 38.487 0.094 0.000 1.097 5 N HN 0.364 nan 8.380 nan 0.000 0.558 6 F N 1.043 121.001 119.950 0.013 0.000 2.490 6 F HA 0.375 4.902 4.527 0.000 0.000 0.336 6 F C 1.715 177.516 175.800 0.001 0.000 1.178 6 F CA -0.690 57.318 58.000 0.013 0.000 1.301 6 F CB 0.110 39.091 39.000 -0.031 0.000 1.175 6 F HN 0.117 nan 8.300 nan 0.000 0.593 7 A N 1.390 124.324 122.820 0.190 0.000 2.313 7 A HA 0.369 4.690 4.320 0.002 0.000 0.261 7 A C 0.323 177.940 177.584 0.056 0.000 1.090 7 A CA -0.345 51.731 52.037 0.065 0.000 0.807 7 A CB 0.028 19.028 19.000 0.000 0.000 1.055 7 A HN 0.662 nan 8.150 nan 0.000 0.492 8 S N -0.532 115.181 115.700 0.022 0.000 2.560 8 S HA 0.413 4.883 4.470 0.002 0.000 0.284 8 S C 1.277 175.868 174.600 -0.016 0.000 1.327 8 S CA 0.936 59.142 58.200 0.010 0.000 1.055 8 S CB -0.131 63.069 63.200 -0.000 0.000 0.868 8 S HN 2.437 nan 8.310 nan 0.000 0.506 9 G N 4.001 112.787 108.800 -0.023 0.000 2.221 9 G HA2 -0.182 3.779 3.960 0.002 0.000 0.265 9 G HA3 -0.182 3.779 3.960 0.002 0.000 0.265 9 G C -0.063 174.783 174.900 -0.090 0.000 1.041 9 G CA 0.059 45.127 45.100 -0.052 0.000 0.807 9 G HN 0.661 nan 8.290 nan 0.000 0.502 10 R N -0.410 120.025 120.500 -0.108 0.000 2.837 10 R HA 0.718 5.059 4.340 0.002 0.000 0.271 10 R C -0.036 176.058 176.300 -0.342 0.000 0.993 10 R CA -0.340 55.626 56.100 -0.223 0.000 0.931 10 R CB 1.774 31.928 30.300 -0.243 0.000 1.206 10 R HN 0.665 nan 8.270 nan 0.000 0.474 11 N N -2.252 116.158 118.700 -0.483 0.000 2.823 11 N HA 0.446 5.187 4.740 0.002 0.000 0.251 11 N C -1.630 173.577 175.510 -0.505 0.000 1.392 11 N CA -0.635 52.110 53.050 -0.509 0.000 0.864 11 N CB 1.654 40.024 38.487 -0.196 0.000 1.481 11 N HN 0.510 nan 8.380 nan 0.000 0.508 12 S N -0.948 114.566 115.700 -0.310 0.000 3.223 12 S HA -0.086 4.385 4.470 0.002 0.000 0.856 12 S C -0.952 173.665 174.600 0.028 0.000 1.079 12 S CA -0.065 58.102 58.200 -0.054 0.000 1.166 12 S CB -0.905 62.293 63.200 -0.003 0.000 0.818 12 S HN 0.635 nan 8.310 nan 0.000 0.256 13 I N 2.586 123.244 120.570 0.147 0.000 2.404 13 I HA 0.493 4.664 4.170 0.002 0.000 0.293 13 I C -0.099 176.108 176.117 0.151 0.000 0.992 13 I CA -0.875 60.530 61.300 0.175 0.000 1.149 13 I CB 1.757 39.797 38.000 0.067 0.000 1.315 13 I HN 0.399 nan 8.210 nan 0.000 0.446 14 V N 5.460 125.439 119.914 0.108 0.000 2.398 14 V HA 0.175 4.296 4.120 0.002 0.000 0.286 14 V C 0.097 176.209 176.094 0.031 0.000 1.026 14 V CA -0.603 61.699 62.300 0.003 0.000 0.868 14 V CB 1.230 32.887 31.823 -0.278 0.000 0.982 14 V HN 0.667 nan 8.190 nan 0.000 0.443 15 H N 5.943 124.986 119.070 -0.046 0.000 2.911 15 H HA 0.339 4.896 4.556 0.002 0.000 0.273 15 H C -0.341 174.941 175.328 -0.076 0.000 1.157 15 H CA -0.763 55.284 56.048 -0.001 0.000 1.402 15 H CB 0.511 30.292 29.762 0.032 0.000 1.463 15 H HN 0.562 nan 8.280 nan 0.000 0.475 16 L N 7.317 128.484 121.223 -0.092 0.000 2.399 16 L HA 0.036 4.377 4.340 0.002 0.000 0.257 16 L C -0.010 176.850 176.870 -0.015 0.000 1.236 16 L CA -0.515 54.023 54.840 -0.504 0.000 1.144 16 L CB -0.621 40.855 42.059 -0.972 0.000 1.379 16 L HN 0.561 nan 8.230 nan 0.000 0.414 17 F N 4.550 124.348 119.950 -0.253 0.000 2.539 17 F HA -0.042 4.486 4.527 0.002 0.000 0.393 17 F C 1.314 177.340 175.800 0.377 0.000 1.032 17 F CA 0.199 58.108 58.000 -0.152 0.000 1.120 17 F CB -0.277 38.514 39.000 -0.348 0.000 1.014 17 F HN 0.515 nan 8.300 nan 0.000 0.546 18 E N 2.440 122.767 120.200 0.213 0.000 3.413 18 E HA -0.297 4.054 4.350 0.002 0.000 0.300 18 E C -0.721 176.007 176.600 0.212 0.000 0.891 18 E CA 0.756 57.205 56.400 0.081 0.000 1.050 18 E CB -1.761 27.833 29.700 -0.178 0.000 1.534 18 E HN 0.599 nan 8.360 nan 0.000 0.436 19 W N 1.722 123.036 121.300 0.024 0.000 2.251 19 W HA 0.287 4.948 4.660 0.002 0.000 0.329 19 W C 1.371 177.810 176.519 -0.134 0.000 1.234 19 W CA -0.085 57.233 57.345 -0.045 0.000 1.228 19 W CB 0.450 29.906 29.460 -0.007 0.000 1.135 19 W HN -0.188 nan 8.180 nan 0.000 0.576 20 K N 1.619 122.018 120.400 -0.001 0.000 2.126 20 K HA 0.102 4.423 4.320 0.002 0.000 0.257 20 K C 0.947 177.603 176.600 0.093 0.000 1.007 20 K CA -0.483 55.682 56.287 -0.204 0.000 0.928 20 K CB 0.876 33.265 32.500 -0.185 0.000 1.013 20 K HN 0.610 nan 8.250 nan 0.000 0.473 21 W N 1.047 122.420 121.300 0.122 0.000 2.338 21 W HA -0.204 4.457 4.660 0.002 0.000 0.304 21 W C 1.576 178.127 176.519 0.054 0.000 1.212 21 W CA 0.451 57.845 57.345 0.081 0.000 1.264 21 W CB -0.327 29.184 29.460 0.086 0.000 1.142 21 W HN 0.724 nan 8.180 nan 0.000 0.512 22 N N 0.322 119.171 118.700 0.248 0.000 2.166 22 N HA -0.177 4.564 4.740 0.002 0.000 0.186 22 N C 1.148 176.734 175.510 0.128 0.000 1.019 22 N CA 1.392 54.531 53.050 0.147 0.000 0.856 22 N CB -0.243 38.293 38.487 0.083 0.000 0.993 22 N HN 0.104 nan 8.380 nan 0.000 0.426 23 D N 0.874 121.354 120.400 0.133 0.000 2.149 23 D HA -0.033 4.608 4.640 0.002 0.000 0.201 23 D C 1.976 178.460 176.300 0.307 0.000 0.972 23 D CA 0.643 54.734 54.000 0.152 0.000 0.835 23 D CB -0.020 40.788 40.800 0.013 0.000 0.966 23 D HN 0.317 nan 8.370 nan 0.000 0.476 24 I N 1.491 122.266 120.570 0.343 0.000 2.226 24 I HA -0.233 3.938 4.170 0.002 0.000 0.245 24 I C 2.581 178.773 176.117 0.124 0.000 1.100 24 I CA 0.814 62.256 61.300 0.237 0.000 1.374 24 I CB -0.247 37.889 38.000 0.227 0.000 1.057 24 I HN -0.095 nan 8.210 nan 0.000 0.413 25 A N 0.770 123.662 122.820 0.119 0.000 1.883 25 A HA -0.262 4.059 4.320 0.002 0.000 0.217 25 A C 1.965 179.589 177.584 0.067 0.000 1.186 25 A CA 2.226 54.301 52.037 0.063 0.000 0.624 25 A CB -0.622 18.417 19.000 0.064 0.000 0.822 25 A HN 0.353 nan 8.150 nan 0.000 0.444 26 D N -0.824 119.632 120.400 0.093 0.000 2.097 26 D HA -0.127 4.514 4.640 0.002 0.000 0.195 26 D C 1.912 178.275 176.300 0.106 0.000 0.989 26 D CA 1.618 55.671 54.000 0.088 0.000 0.827 26 D CB -0.390 40.462 40.800 0.086 0.000 0.966 26 D HN 0.548 nan 8.370 nan 0.000 0.456 27 E N 0.238 120.525 120.200 0.145 0.000 2.118 27 E HA -0.141 4.210 4.350 0.002 0.000 0.195 27 E C 2.044 178.699 176.600 0.092 0.000 0.992 27 E CA 0.782 57.271 56.400 0.147 0.000 0.804 27 E CB -0.300 29.478 29.700 0.131 0.000 0.741 27 E HN 0.205 nan 8.360 nan 0.000 0.458 28 c N 0.480 119.104 118.600 0.041 0.000 2.413 28 c HA -0.118 4.453 4.570 0.002 0.000 0.276 28 c C 2.325 176.430 174.090 0.025 0.000 1.248 28 c CA 1.241 57.576 56.329 0.011 0.000 1.742 28 c CB -0.869 41.633 42.510 -0.013 0.000 2.017 28 c HN 0.535 nan 8.230 nan 0.000 0.481 29 E N 0.486 120.707 120.200 0.035 0.000 2.060 29 E HA -0.127 4.224 4.350 0.002 0.000 0.189 29 E C 2.358 178.984 176.600 0.043 0.000 0.974 29 E CA 0.763 57.180 56.400 0.029 0.000 0.808 29 E CB -0.267 29.448 29.700 0.025 0.000 0.768 29 E HN 0.697 nan 8.360 nan 0.000 0.453 30 R N -0.452 120.095 120.500 0.079 0.000 2.200 30 R HA 0.025 4.366 4.340 0.002 0.000 0.208 30 R C 1.398 177.797 176.300 0.165 0.000 1.033 30 R CA 1.066 57.228 56.100 0.103 0.000 1.000 30 R CB 0.027 30.394 30.300 0.112 0.000 0.906 30 R HN 0.196 nan 8.270 nan 0.000 0.462 31 F N 0.062 120.010 119.950 -0.004 0.000 2.244 31 F HA 0.296 4.825 4.527 0.003 0.000 0.272 31 F C 1.623 177.428 175.800 0.008 0.000 0.882 31 F CA -0.326 57.664 58.000 -0.017 0.000 1.101 31 F CB 0.125 39.113 39.000 -0.020 0.000 1.097 31 F HN -0.195 nan 8.300 nan 0.000 0.762 32 L N 0.844 122.126 121.223 0.099 0.000 2.012 32 L HA -0.246 4.095 4.340 0.002 0.000 0.210 32 L C 2.519 179.427 176.870 0.063 0.000 1.073 32 L CA 2.247 57.103 54.840 0.026 0.000 0.748 32 L CB -0.869 41.161 42.059 -0.047 0.000 0.891 32 L HN 0.366 nan 8.230 nan 0.000 0.431 33 Q N 0.239 120.041 119.800 0.003 0.000 2.020 33 Q HA -0.171 4.170 4.340 0.002 0.000 0.202 33 Q C -0.354 175.612 176.000 -0.057 0.000 0.982 33 Q CA 1.785 57.577 55.803 -0.019 0.000 0.838 33 Q CB -0.755 27.969 28.738 -0.023 0.000 0.899 33 Q HN 0.275 nan 8.270 nan 0.000 0.423 34 P HA -0.152 nan 4.420 nan 0.000 0.216 34 P C 0.643 177.837 177.300 -0.177 0.000 1.150 34 P CA 1.242 64.266 63.100 -0.127 0.000 0.837 34 P CB -0.005 31.609 31.700 -0.144 0.000 0.786 35 Q N -1.681 117.964 119.800 -0.258 0.000 2.365 35 Q HA 0.203 4.544 4.340 0.002 0.000 0.203 35 Q C 1.256 177.150 176.000 -0.177 0.000 0.929 35 Q CA 0.780 56.428 55.803 -0.258 0.000 0.948 35 Q CB -0.452 28.005 28.738 -0.469 0.000 1.043 35 Q HN 0.276 nan 8.270 nan 0.000 0.505 36 G N 1.057 109.790 108.800 -0.112 0.000 2.147 36 G HA2 -0.272 3.689 3.960 0.002 0.000 0.244 36 G HA3 -0.272 3.689 3.960 0.002 0.000 0.244 36 G C -0.226 174.553 174.900 -0.202 0.000 1.005 36 G CA -0.211 44.798 45.100 -0.152 0.000 0.713 36 G HN 0.259 nan 8.290 nan 0.000 0.515 37 F N -0.072 119.782 119.950 -0.161 0.000 2.410 37 F HA 0.511 5.039 4.527 0.002 0.000 0.334 37 F C 1.785 177.423 175.800 -0.270 0.000 1.134 37 F CA 0.933 58.826 58.000 -0.177 0.000 1.227 37 F CB 1.333 40.281 39.000 -0.087 0.000 1.194 37 F HN -0.008 nan 8.300 nan 0.000 0.571 38 G N 0.579 109.207 108.800 -0.287 0.000 2.545 38 G HA2 0.447 4.408 3.960 0.002 0.000 0.212 38 G HA3 0.447 4.408 3.960 0.002 0.000 0.212 38 G C 0.347 175.185 174.900 -0.102 0.000 1.144 38 G CA 0.555 45.280 45.100 -0.624 0.000 0.813 38 G HN 1.004 nan 8.290 nan 0.000 0.531 39 G N -1.694 107.170 108.800 0.107 0.000 2.550 39 G HA2 0.467 4.428 3.960 0.002 0.000 0.293 39 G HA3 0.467 4.428 3.960 0.002 0.000 0.293 39 G C -2.197 172.851 174.900 0.247 0.000 1.402 39 G CA -0.347 44.946 45.100 0.322 0.000 0.784 39 G HN 0.427 nan 8.290 nan 0.000 0.482 40 V N 0.407 120.459 119.914 0.230 0.000 2.588 40 V HA 0.547 4.668 4.120 0.002 0.000 0.304 40 V C -0.198 176.065 176.094 0.282 0.000 1.042 40 V CA -0.668 61.717 62.300 0.142 0.000 0.877 40 V CB 1.666 33.480 31.823 -0.015 0.000 0.996 40 V HN 0.830 nan 8.190 nan 0.000 0.425 41 Q N 4.943 124.914 119.800 0.285 0.000 2.331 41 Q HA 0.593 4.934 4.340 0.002 0.000 0.257 41 Q C -0.568 175.624 176.000 0.319 0.000 0.957 41 Q CA -0.472 55.521 55.803 0.317 0.000 0.923 41 Q CB 1.356 30.226 28.738 0.219 0.000 1.212 41 Q HN 0.862 nan 8.270 nan 0.000 0.443 42 I N 0.226 120.979 120.570 0.304 0.000 2.664 42 I HA 0.503 4.674 4.170 0.002 0.000 0.308 42 I C -0.071 176.333 176.117 0.479 0.000 0.984 42 I CA -0.857 60.693 61.300 0.416 0.000 1.213 42 I CB 1.755 39.967 38.000 0.353 0.000 1.379 42 I HN 0.367 nan 8.210 nan 0.000 0.501 43 S N 3.411 119.460 115.700 0.582 0.000 2.600 43 S HA 0.256 4.727 4.470 0.002 0.000 0.265 43 S C -2.291 172.579 174.600 0.451 0.000 1.325 43 S CA -0.582 57.910 58.200 0.488 0.000 1.002 43 S CB 0.094 63.534 63.200 0.400 0.000 0.921 43 S HN 0.553 nan 8.310 nan 0.000 0.554 44 P HA 0.022 nan 4.420 nan 0.000 0.258 44 P C -1.883 175.694 177.300 0.462 0.000 1.172 44 P CA -0.563 62.694 63.100 0.262 0.000 0.762 44 P CB 0.110 31.812 31.700 0.004 0.000 0.764 45 P HA -0.025 nan 4.420 nan 0.000 0.261 45 P C -0.281 177.234 177.300 0.358 0.000 1.268 45 P CA 0.523 63.969 63.100 0.578 0.000 0.833 45 P CB 0.291 32.188 31.700 0.328 0.000 1.231 46 N N 0.578 119.456 118.700 0.297 0.000 2.508 46 N HA 0.055 4.796 4.740 0.002 0.000 0.285 46 N C -0.229 175.311 175.510 0.050 0.000 1.144 46 N CA -0.485 52.643 53.050 0.130 0.000 0.978 46 N CB 1.333 39.814 38.487 -0.010 0.000 1.180 46 N HN -0.052 nan 8.380 nan 0.000 0.484 47 E N 0.666 120.809 120.200 -0.095 0.000 2.558 47 E HA -0.085 4.266 4.350 0.002 0.000 0.255 47 E C -0.981 175.519 176.600 -0.166 0.000 0.968 47 E CA 0.162 56.428 56.400 -0.224 0.000 0.939 47 E CB 0.074 29.667 29.700 -0.178 0.000 0.921 47 E HN 0.569 nan 8.360 nan 0.000 0.477 48 Y N 1.792 122.076 120.300 -0.027 0.000 2.665 48 Y HA 0.464 5.015 4.550 0.001 0.000 0.336 48 Y C -0.851 175.056 175.900 0.011 0.000 1.085 48 Y CA -1.745 56.348 58.100 -0.012 0.000 1.096 48 Y CB 0.176 38.631 38.460 -0.008 0.000 1.301 48 Y HN 0.387 nan 8.280 nan 0.000 0.493 49 L N 1.528 122.930 121.223 0.298 0.000 2.490 49 L HA 0.324 4.665 4.340 0.002 0.000 0.274 49 L C -0.502 176.489 176.870 0.203 0.000 1.201 49 L CA 0.062 55.024 54.840 0.203 0.000 0.869 49 L CB 0.618 42.796 42.059 0.198 0.000 1.123 49 L HN 0.590 nan 8.230 nan 0.000 0.484 50 V N 6.808 126.778 119.914 0.094 0.000 2.322 50 V HA 0.473 4.594 4.120 0.002 0.000 0.258 50 V C 0.679 176.790 176.094 0.027 0.000 1.074 50 V CA -0.106 62.226 62.300 0.053 0.000 0.909 50 V CB 0.006 31.834 31.823 0.007 0.000 1.090 50 V HN 0.947 nan 8.190 nan 0.000 0.486 51 A N 4.067 126.882 122.820 -0.007 0.000 2.279 51 A HA 0.519 4.840 4.320 0.002 0.000 0.303 51 A C 0.064 177.594 177.584 -0.090 0.000 1.108 51 A CA -0.706 51.303 52.037 -0.047 0.000 0.830 51 A CB 0.339 19.266 19.000 -0.121 0.000 1.106 51 A HN 0.685 nan 8.150 nan 0.000 0.493 52 D N 0.523 120.890 120.400 -0.055 0.000 2.458 52 D HA 0.361 5.002 4.640 0.002 0.000 0.243 52 D C 1.308 177.548 176.300 -0.100 0.000 1.146 52 D CA 2.013 55.982 54.000 -0.052 0.000 0.877 52 D CB 0.810 41.603 40.800 -0.011 0.000 1.176 52 D HN 1.100 nan 8.370 nan 0.000 0.461 53 G N 3.000 111.746 108.800 -0.090 0.000 2.199 53 G HA2 -0.370 3.591 3.960 0.002 0.000 0.254 53 G HA3 -0.370 3.591 3.960 0.002 0.000 0.254 53 G C 0.374 175.181 174.900 -0.155 0.000 0.982 53 G CA 0.034 45.072 45.100 -0.103 0.000 0.632 53 G HN 0.513 nan 8.290 nan 0.000 0.529 54 R N -1.401 118.986 120.500 -0.188 0.000 3.188 54 R HA -0.142 4.199 4.340 0.002 0.000 0.247 54 R C -1.963 174.157 176.300 -0.299 0.000 0.918 54 R CA 1.342 57.317 56.100 -0.209 0.000 0.629 54 R CB -2.748 27.471 30.300 -0.135 0.000 1.087 54 R HN 0.633 nan 8.270 nan 0.000 0.462 55 P HA -0.030 nan 4.420 nan 0.000 0.272 55 P C 1.547 178.514 177.300 -0.555 0.000 1.240 55 P CA -0.487 62.210 63.100 -0.673 0.000 0.791 55 P CB 0.217 31.024 31.700 -1.488 0.000 0.978 56 W N 2.577 123.721 121.300 -0.259 0.000 2.363 56 W HA -0.122 4.539 4.660 0.002 0.000 0.296 56 W C 1.703 178.288 176.519 0.110 0.000 1.212 56 W CA 0.887 58.213 57.345 -0.031 0.000 1.260 56 W CB -1.822 27.801 29.460 0.271 0.000 1.131 56 W HN 0.478 nan 8.180 nan 0.000 0.530 57 W N 3.491 124.297 121.300 -0.824 0.000 2.961 57 W HA 0.005 4.666 4.660 0.001 0.000 0.240 57 W C 1.624 178.016 176.519 -0.212 0.000 1.305 57 W CA 0.911 57.846 57.345 -0.683 0.000 1.465 57 W CB -1.319 27.414 29.460 -1.211 0.000 1.135 57 W HN 0.221 nan 8.180 nan 0.000 0.688 58 E N 1.694 121.774 120.200 -0.199 0.000 2.204 58 E HA -0.183 4.168 4.350 0.002 0.000 0.195 58 E C 1.908 178.407 176.600 -0.167 0.000 0.990 58 E CA 0.752 57.111 56.400 -0.068 0.000 0.821 58 E CB -0.597 29.007 29.700 -0.160 0.000 0.750 58 E HN 0.232 nan 8.360 nan 0.000 0.477 59 R N -0.204 119.997 120.500 -0.497 0.000 2.237 59 R HA -0.083 4.258 4.340 0.002 0.000 0.219 59 R C 0.595 176.561 176.300 -0.556 0.000 1.080 59 R CA 0.942 56.457 56.100 -0.976 0.000 0.995 59 R CB -0.139 29.646 30.300 -0.860 0.000 0.875 59 R HN 0.368 nan 8.270 nan 0.000 0.462 60 Y N 0.285 120.638 120.300 0.089 0.000 2.532 60 Y HA 0.174 4.725 4.550 0.001 0.000 0.283 60 Y C 0.281 176.366 175.900 0.308 0.000 1.181 60 Y CA 0.052 58.292 58.100 0.233 0.000 1.256 60 Y CB 0.470 39.102 38.460 0.286 0.000 1.112 60 Y HN -0.108 nan 8.280 nan 0.000 0.521 61 Q N 1.163 121.132 119.800 0.283 0.000 2.798 61 Q HA 0.272 4.613 4.340 0.002 0.000 0.250 61 Q C -2.717 173.415 176.000 0.220 0.000 1.006 61 Q CA -2.127 53.847 55.803 0.286 0.000 0.759 61 Q CB 1.297 30.188 28.738 0.254 0.000 1.201 61 Q HN 0.064 nan 8.270 nan 0.000 0.486 62 P HA -0.068 nan 4.420 nan 0.000 0.266 62 P C 0.163 177.432 177.300 -0.052 0.000 1.195 62 P CA 0.174 63.279 63.100 0.009 0.000 0.768 62 P CB 1.147 32.785 31.700 -0.103 0.000 0.838 63 V N 0.820 120.689 119.914 -0.074 0.000 3.455 63 V HA 0.116 4.236 4.120 0.002 0.000 0.250 63 V C 0.847 176.870 176.094 -0.119 0.000 1.230 63 V CA 1.412 63.720 62.300 0.013 0.000 1.105 63 V CB 0.327 32.192 31.823 0.069 0.000 0.850 63 V HN 0.821 nan 8.190 nan 0.000 0.461 64 S N -1.987 113.501 115.700 -0.352 0.000 2.671 64 S HA 0.422 4.893 4.470 0.002 0.000 0.270 64 S C -1.003 173.085 174.600 -0.854 0.000 1.166 64 S CA -0.404 57.459 58.200 -0.561 0.000 0.868 64 S CB 0.722 63.775 63.200 -0.244 0.000 1.190 64 S HN -0.027 nan 8.310 nan 0.000 0.494 65 Y N 0.490 120.667 120.300 -0.206 0.000 2.681 65 Y HA 0.539 5.090 4.550 0.002 0.000 0.267 65 Y C 0.310 176.155 175.900 -0.090 0.000 1.166 65 Y CA -0.849 57.072 58.100 -0.298 0.000 1.209 65 Y CB -0.066 38.149 38.460 -0.408 0.000 1.161 65 Y HN 0.404 nan 8.280 nan 0.000 0.534 66 I N 1.972 122.532 120.570 -0.015 0.000 2.529 66 I HA 0.018 4.189 4.170 0.002 0.000 0.284 66 I C 0.008 176.155 176.117 0.050 0.000 1.082 66 I CA -0.247 61.070 61.300 0.028 0.000 1.406 66 I CB 0.784 38.776 38.000 -0.014 0.000 1.405 66 I HN 0.018 nan 8.210 nan 0.000 0.548 67 I N 5.927 126.552 120.570 0.090 0.000 2.227 67 I HA 0.156 4.327 4.170 0.002 0.000 0.297 67 I C -0.125 176.062 176.117 0.117 0.000 1.173 67 I CA 0.345 61.695 61.300 0.082 0.000 1.356 67 I CB -1.471 36.512 38.000 -0.028 0.000 1.485 67 I HN 0.528 nan 8.210 nan 0.000 0.604 68 N N 3.753 122.504 118.700 0.085 0.000 2.655 68 N HA 0.346 5.087 4.740 0.002 0.000 0.277 68 N C -0.514 174.969 175.510 -0.045 0.000 1.177 68 N CA -0.187 52.897 53.050 0.056 0.000 0.882 68 N CB 1.543 40.039 38.487 0.015 0.000 1.481 68 N HN 0.523 nan 8.380 nan 0.000 0.547 69 T N -0.740 113.802 114.554 -0.020 0.000 2.654 69 T HA 0.478 4.829 4.350 0.002 0.000 0.289 69 T C 0.966 175.605 174.700 -0.102 0.000 1.062 69 T CA -0.663 61.349 62.100 -0.147 0.000 1.041 69 T CB 1.284 70.182 68.868 0.050 0.000 1.417 69 T HN 0.252 nan 8.240 nan 0.000 0.510 70 R N 0.104 120.577 120.500 -0.046 0.000 2.237 70 R HA 0.039 4.380 4.340 0.002 0.000 0.219 70 R C 2.121 178.299 176.300 -0.203 0.000 1.080 70 R CA 0.966 57.019 56.100 -0.078 0.000 0.995 70 R CB -0.427 29.864 30.300 -0.015 0.000 0.875 70 R HN 0.537 nan 8.270 nan 0.000 0.462 71 S N -0.471 115.013 115.700 -0.360 0.000 2.489 71 S HA 0.117 4.588 4.470 0.002 0.000 0.228 71 S C 0.732 174.779 174.600 -0.922 0.000 0.995 71 S CA 0.681 58.373 58.200 -0.848 0.000 0.934 71 S CB 0.604 62.768 63.200 -1.727 0.000 0.771 71 S HN 0.654 nan 8.310 nan 0.000 0.522 72 G N 1.276 109.816 108.800 -0.432 0.000 2.361 72 G HA2 0.194 4.155 3.960 0.002 0.000 0.331 72 G HA3 0.194 4.155 3.960 0.002 0.000 0.331 72 G C -1.896 173.127 174.900 0.205 0.000 1.324 72 G CA -0.410 44.637 45.100 -0.089 0.000 0.984 72 G HN 0.266 nan 8.290 nan 0.000 0.586 73 D N -0.978 119.578 120.400 0.261 0.000 2.539 73 D HA 0.425 5.066 4.640 0.002 0.000 0.276 73 D C 1.165 177.671 176.300 0.343 0.000 1.206 73 D CA -0.117 54.032 54.000 0.250 0.000 1.081 73 D CB 0.752 41.641 40.800 0.148 0.000 1.142 73 D HN 0.578 nan 8.370 nan 0.000 0.595 74 E N -0.604 119.736 120.200 0.233 0.000 2.153 74 E HA -0.152 4.199 4.350 0.002 0.000 0.194 74 E C 1.664 178.412 176.600 0.247 0.000 0.988 74 E CA 1.013 57.544 56.400 0.220 0.000 0.811 74 E CB 0.052 29.846 29.700 0.156 0.000 0.746 74 E HN 0.394 nan 8.360 nan 0.000 0.466 75 S N 0.315 116.137 115.700 0.205 0.000 2.356 75 S HA -0.151 4.320 4.470 0.002 0.000 0.223 75 S C 2.042 176.762 174.600 0.200 0.000 1.032 75 S CA 0.982 59.286 58.200 0.174 0.000 1.005 75 S CB -0.226 63.053 63.200 0.131 0.000 0.867 75 S HN 0.478 nan 8.310 nan 0.000 0.449 76 A N 0.812 123.788 122.820 0.260 0.000 1.933 76 A HA -0.055 4.266 4.320 0.002 0.000 0.218 76 A C 1.891 179.664 177.584 0.314 0.000 1.175 76 A CA 1.282 53.501 52.037 0.302 0.000 0.628 76 A CB -0.848 18.375 19.000 0.372 0.000 0.814 76 A HN 0.484 nan 8.150 nan 0.000 0.444 77 F N 1.916 121.963 119.950 0.161 0.000 2.095 77 F HA -0.226 4.302 4.527 0.002 0.000 0.298 77 F C 2.799 178.512 175.800 -0.144 0.000 1.104 77 F CA 2.543 60.407 58.000 -0.226 0.000 1.232 77 F CB -0.475 38.341 39.000 -0.306 0.000 0.987 77 F HN 0.358 nan 8.300 nan 0.000 0.475 78 T N -2.717 111.925 114.554 0.147 0.000 2.867 78 T HA -0.172 4.179 4.350 0.002 0.000 0.268 78 T C 1.665 176.385 174.700 0.033 0.000 1.057 78 T CA 1.394 63.548 62.100 0.090 0.000 1.136 78 T CB -0.638 68.330 68.868 0.167 0.000 0.874 78 T HN 0.205 nan 8.240 nan 0.000 0.466 79 D N 0.925 121.354 120.400 0.049 0.000 2.117 79 D HA -0.058 4.583 4.640 0.002 0.000 0.197 79 D C 1.984 178.278 176.300 -0.010 0.000 0.987 79 D CA 1.128 55.153 54.000 0.041 0.000 0.829 79 D CB -0.383 40.459 40.800 0.071 0.000 0.961 79 D HN 0.434 nan 8.370 nan 0.000 0.460 80 M N 0.846 120.401 119.600 -0.076 0.000 2.067 80 M HA -0.188 4.293 4.480 0.002 0.000 0.260 80 M C 2.182 178.348 176.300 -0.224 0.000 1.069 80 M CA 2.186 57.398 55.300 -0.146 0.000 1.117 80 M CB -0.289 32.174 32.600 -0.228 0.000 1.334 80 M HN 0.070 nan 8.290 nan 0.000 0.407 81 T N -1.461 112.880 114.554 -0.354 0.000 2.788 81 T HA -0.193 4.158 4.350 0.002 0.000 0.268 81 T C 1.953 176.633 174.700 -0.033 0.000 1.044 81 T CA 1.505 63.417 62.100 -0.313 0.000 1.139 81 T CB -0.650 67.928 68.868 -0.482 0.000 0.867 81 T HN 0.521 nan 8.240 nan 0.000 0.454 82 R N 1.092 121.654 120.500 0.103 0.000 2.070 82 R HA -0.018 4.323 4.340 0.002 0.000 0.233 82 R C 2.835 179.161 176.300 0.043 0.000 1.137 82 R CA 1.265 57.463 56.100 0.162 0.000 0.945 82 R CB -0.152 30.206 30.300 0.098 0.000 0.845 82 R HN 0.393 nan 8.270 nan 0.000 0.430 83 R N -0.457 120.046 120.500 0.006 0.000 2.075 83 R HA -0.099 4.242 4.340 0.002 0.000 0.232 83 R C 2.538 178.823 176.300 -0.025 0.000 1.126 83 R CA 1.632 57.726 56.100 -0.009 0.000 0.963 83 R CB -0.415 29.884 30.300 -0.001 0.000 0.858 83 R HN 0.329 nan 8.270 nan 0.000 0.435 84 c N 0.761 119.331 118.600 -0.049 0.000 2.446 84 c HA -0.021 4.550 4.570 0.002 0.000 0.277 84 c C 2.315 176.363 174.090 -0.070 0.000 1.275 84 c CA 0.446 56.735 56.329 -0.066 0.000 1.727 84 c CB -0.959 41.488 42.510 -0.104 0.000 2.010 84 c HN 0.510 nan 8.230 nan 0.000 0.486 85 N N 1.161 119.820 118.700 -0.068 0.000 2.166 85 N HA -0.115 4.626 4.740 0.002 0.000 0.186 85 N C 1.167 176.626 175.510 -0.085 0.000 1.019 85 N CA 1.362 54.357 53.050 -0.091 0.000 0.856 85 N CB -0.505 37.964 38.487 -0.030 0.000 0.993 85 N HN 0.525 nan 8.380 nan 0.000 0.426 86 D N 0.716 121.085 120.400 -0.051 0.000 2.178 86 D HA -0.040 4.601 4.640 0.002 0.000 0.201 86 D C 1.412 177.680 176.300 -0.053 0.000 0.980 86 D CA 0.637 54.604 54.000 -0.056 0.000 0.842 86 D CB -0.138 40.637 40.800 -0.041 0.000 0.948 86 D HN 0.225 nan 8.370 nan 0.000 0.472 87 A N -0.439 122.354 122.820 -0.047 0.000 2.238 87 A HA 0.402 4.723 4.320 0.002 0.000 0.208 87 A C 1.708 179.264 177.584 -0.047 0.000 1.177 87 A CA 0.972 52.986 52.037 -0.039 0.000 0.804 87 A CB -0.268 18.715 19.000 -0.027 0.000 0.823 87 A HN 0.229 nan 8.150 nan 0.000 0.482 88 G N -1.473 107.288 108.800 -0.065 0.000 2.147 88 G HA2 -0.183 3.778 3.960 0.002 0.000 0.244 88 G HA3 -0.183 3.778 3.960 0.002 0.000 0.244 88 G C 0.020 174.891 174.900 -0.048 0.000 1.005 88 G CA 0.253 45.313 45.100 -0.067 0.000 0.713 88 G HN 0.888 nan 8.290 nan 0.000 0.515 89 V N 2.011 121.895 119.914 -0.049 0.000 2.357 89 V HA 0.571 4.692 4.120 0.002 0.000 0.284 89 V C 0.586 176.650 176.094 -0.050 0.000 1.018 89 V CA -1.344 60.940 62.300 -0.027 0.000 0.841 89 V CB 1.421 33.227 31.823 -0.028 0.000 0.991 89 V HN 0.324 nan 8.190 nan 0.000 0.437 90 R N 4.066 124.563 120.500 -0.005 0.000 2.615 90 R HA 0.519 4.860 4.340 0.002 0.000 0.270 90 R C -0.548 175.569 176.300 -0.305 0.000 1.081 90 R CA -0.661 55.358 56.100 -0.135 0.000 1.154 90 R CB 0.820 31.058 30.300 -0.103 0.000 1.063 90 R HN 0.427 nan 8.270 nan 0.000 0.519 91 I N 2.644 122.927 120.570 -0.480 0.000 2.406 91 I HA 0.281 4.452 4.170 0.002 0.000 0.290 91 I C -0.666 175.071 176.117 -0.633 0.000 0.999 91 I CA -0.954 60.086 61.300 -0.434 0.000 1.124 91 I CB 1.111 38.880 38.000 -0.385 0.000 1.289 91 I HN 0.412 nan 8.210 nan 0.000 0.441 92 Y N 4.728 125.026 120.300 -0.002 0.000 2.328 92 Y HA 0.447 4.998 4.550 0.001 0.000 0.336 92 Y C 0.253 176.150 175.900 -0.005 0.000 0.960 92 Y CA -0.943 57.160 58.100 0.004 0.000 1.134 92 Y CB 1.803 40.401 38.460 0.231 0.000 1.166 92 Y HN 0.183 nan 8.280 nan 0.000 0.464 93 V N 3.282 123.197 119.914 0.002 0.000 2.498 93 V HA 0.057 4.178 4.120 0.002 0.000 0.279 93 V C 0.011 176.236 176.094 0.219 0.000 1.048 93 V CA -0.588 61.785 62.300 0.122 0.000 0.967 93 V CB 1.192 33.086 31.823 0.118 0.000 0.988 93 V HN 0.669 nan 8.190 nan 0.000 0.473 94 D N 4.505 125.047 120.400 0.237 0.000 2.374 94 D HA 0.308 4.949 4.640 0.002 0.000 0.240 94 D C 0.136 176.602 176.300 0.277 0.000 1.229 94 D CA -0.126 54.004 54.000 0.217 0.000 0.895 94 D CB 1.151 42.094 40.800 0.238 0.000 1.046 94 D HN 0.676 nan 8.370 nan 0.000 0.498 95 A N 4.220 127.203 122.820 0.272 0.000 2.343 95 A HA 0.375 4.696 4.320 0.002 0.000 0.305 95 A C -0.074 177.648 177.584 0.230 0.000 1.308 95 A CA -0.622 51.592 52.037 0.296 0.000 0.949 95 A CB 0.517 19.633 19.000 0.193 0.000 1.148 95 A HN 0.378 nan 8.150 nan 0.000 0.545 96 V N 5.548 125.599 119.914 0.229 0.000 2.304 96 V HA 0.184 4.305 4.120 0.002 0.000 0.262 96 V C 0.796 176.921 176.094 0.053 0.000 1.061 96 V CA 0.226 62.601 62.300 0.125 0.000 0.872 96 V CB -0.153 31.737 31.823 0.112 0.000 1.077 96 V HN 0.866 nan 8.190 nan 0.000 0.480 97 I N 0.635 121.217 120.570 0.020 0.000 4.147 97 I HA 0.388 4.559 4.170 0.002 0.000 0.329 97 I C 1.306 177.388 176.117 -0.059 0.000 1.424 97 I CA 0.163 61.468 61.300 0.008 0.000 1.127 97 I CB 0.163 38.179 38.000 0.027 0.000 1.128 97 I HN 0.464 nan 8.210 nan 0.000 0.417 98 N N 1.430 120.055 118.700 -0.124 0.000 2.415 98 N HA -0.010 4.731 4.740 0.002 0.000 0.176 98 N C 0.493 176.016 175.510 0.022 0.000 1.042 98 N CA 0.708 53.747 53.050 -0.019 0.000 0.902 98 N CB 0.252 38.819 38.487 0.134 0.000 0.986 98 N HN 0.694 nan 8.380 nan 0.000 0.447 99 H N -3.853 115.262 119.070 0.075 0.000 2.918 99 H HA 0.263 4.820 4.556 0.002 0.000 0.303 99 H C -0.370 174.988 175.328 0.049 0.000 1.380 99 H CA -0.848 55.245 56.048 0.075 0.000 1.134 99 H CB 0.498 30.311 29.762 0.086 0.000 1.842 99 H HN -0.198 nan 8.280 nan 0.000 0.533 100 M N 0.855 120.602 119.600 0.245 0.000 2.319 100 M HA 0.207 4.688 4.480 0.002 0.000 0.213 100 M C 0.802 177.208 176.300 0.177 0.000 1.322 100 M CA 0.329 55.639 55.300 0.017 0.000 1.877 100 M CB -0.419 31.880 32.600 -0.501 0.000 1.118 100 M HN 0.810 nan 8.290 nan 0.000 0.907 101 T N -1.461 113.206 114.554 0.190 0.000 2.952 101 T HA 0.668 5.019 4.350 0.002 0.000 0.286 101 T C 0.766 175.602 174.700 0.228 0.000 1.024 101 T CA -0.305 61.944 62.100 0.248 0.000 1.029 101 T CB 1.669 70.724 68.868 0.311 0.000 1.094 101 T HN 0.599 nan 8.240 nan 0.000 0.515 102 G N 0.594 109.443 108.800 0.080 0.000 3.126 102 G HA2 0.424 4.385 3.960 0.002 0.000 0.224 102 G HA3 0.424 4.385 3.960 0.002 0.000 0.224 102 G C 0.410 175.041 174.900 -0.447 0.000 1.142 102 G CA -0.172 44.875 45.100 -0.087 0.000 0.759 102 G HN 0.990 nan 8.290 nan 0.000 0.550 103 M N -1.903 117.560 119.600 -0.228 0.000 2.773 103 M HA 0.478 4.959 4.480 0.002 0.000 0.270 103 M C -2.024 174.282 176.300 0.010 0.000 1.238 103 M CA -1.072 54.080 55.300 -0.247 0.000 0.832 103 M CB 1.006 33.515 32.600 -0.151 0.000 1.672 103 M HN -0.271 nan 8.290 nan 0.000 0.480 104 N N 0.130 118.842 118.700 0.020 0.000 2.503 104 N HA 0.859 5.600 4.740 0.002 0.000 0.267 104 N C 0.040 175.572 175.510 0.037 0.000 1.214 104 N CA 0.847 53.923 53.050 0.044 0.000 0.959 104 N CB 1.480 39.983 38.487 0.026 0.000 1.142 104 N HN 0.961 nan 8.380 nan 0.000 0.455 105 G N -1.408 107.414 108.800 0.036 0.000 2.399 105 G HA2 0.304 4.265 3.960 0.002 0.000 0.256 105 G HA3 0.304 4.265 3.960 0.002 0.000 0.256 105 G C -1.888 173.031 174.900 0.031 0.000 1.236 105 G CA -0.324 44.796 45.100 0.033 0.000 0.914 105 G HN 0.546 nan 8.290 nan 0.000 0.482 106 V N -0.048 119.883 119.914 0.029 0.000 2.962 106 V HA 0.878 4.999 4.120 0.002 0.000 0.313 106 V C 0.743 176.846 176.094 0.015 0.000 1.099 106 V CA 0.507 62.817 62.300 0.017 0.000 0.971 106 V CB 1.757 33.579 31.823 -0.001 0.000 1.028 106 V HN 1.816 nan 8.190 nan 0.000 0.430 107 G N 1.539 110.337 108.800 -0.003 0.000 2.547 107 G HA2 0.391 4.352 3.960 0.002 0.000 0.291 107 G HA3 0.391 4.352 3.960 0.002 0.000 0.291 107 G C 0.983 175.820 174.900 -0.106 0.000 1.211 107 G CA 0.367 45.438 45.100 -0.048 0.000 0.950 107 G HN 1.196 nan 8.290 nan 0.000 0.504 108 T N -2.787 111.635 114.554 -0.221 0.000 3.025 108 T HA -0.064 4.287 4.350 0.002 0.000 0.270 108 T C 1.767 176.373 174.700 -0.157 0.000 1.126 108 T CA 1.492 63.448 62.100 -0.240 0.000 1.105 108 T CB 0.115 68.703 68.868 -0.467 0.000 0.884 108 T HN 0.327 nan 8.240 nan 0.000 0.522 109 S N -0.486 115.139 115.700 -0.126 0.000 2.578 109 S HA 0.497 4.968 4.470 0.002 0.000 0.231 109 S C 1.562 176.131 174.600 -0.052 0.000 0.994 109 S CA 0.284 58.437 58.200 -0.078 0.000 0.956 109 S CB -0.576 62.582 63.200 -0.069 0.000 0.870 109 S HN 0.947 nan 8.310 nan 0.000 0.494 110 G N 0.936 109.705 108.800 -0.051 0.000 2.176 110 G HA2 -0.232 3.729 3.960 0.002 0.000 0.253 110 G HA3 -0.232 3.729 3.960 0.002 0.000 0.253 110 G C 0.153 175.039 174.900 -0.023 0.000 0.979 110 G CA 0.281 45.362 45.100 -0.032 0.000 0.641 110 G HN 0.577 nan 8.290 nan 0.000 0.530 111 S N -0.006 115.679 115.700 -0.024 0.000 2.585 111 S HA 0.535 5.006 4.470 0.002 0.000 0.273 111 S C 0.684 175.288 174.600 0.007 0.000 1.339 111 S CA 0.510 58.705 58.200 -0.008 0.000 1.028 111 S CB 1.645 64.840 63.200 -0.008 0.000 0.906 111 S HN 0.957 nan 8.310 nan 0.000 0.528 112 S N 1.026 116.730 115.700 0.007 0.000 2.565 112 S HA 0.560 5.031 4.470 0.002 0.000 0.274 112 S C -0.317 174.286 174.600 0.006 0.000 1.309 112 S CA -0.709 57.490 58.200 -0.003 0.000 1.043 112 S CB 0.326 63.511 63.200 -0.025 0.000 0.939 112 S HN 0.851 nan 8.310 nan 0.000 0.504 113 A N 3.798 126.617 122.820 -0.002 0.000 2.323 113 A HA 0.462 4.783 4.320 0.002 0.000 0.305 113 A C -0.856 176.635 177.584 -0.155 0.000 1.275 113 A CA -0.674 51.355 52.037 -0.013 0.000 0.804 113 A CB 0.716 19.839 19.000 0.204 0.000 1.152 113 A HN 0.774 nan 8.150 nan 0.000 0.487 114 D N 1.730 121.868 120.400 -0.437 0.000 2.493 114 D HA 0.104 4.745 4.640 0.002 0.000 0.235 114 D C 1.134 177.224 176.300 -0.350 0.000 1.117 114 D CA -0.132 53.688 54.000 -0.300 0.000 0.930 114 D CB 0.156 40.806 40.800 -0.249 0.000 1.010 114 D HN 0.662 nan 8.370 nan 0.000 0.514 115 H N 3.202 122.151 119.070 -0.202 0.000 2.321 115 H HA -0.125 4.432 4.556 0.002 0.000 0.300 115 H C 0.297 175.546 175.328 -0.131 0.000 1.087 115 H CA 1.591 57.582 56.048 -0.094 0.000 1.319 115 H CB 0.476 30.240 29.762 0.004 0.000 1.379 115 H HN 0.336 nan 8.280 nan 0.000 0.501 116 D N 0.293 120.642 120.400 -0.086 0.000 2.116 116 D HA -0.116 4.525 4.640 0.002 0.000 0.193 116 D C 2.189 178.361 176.300 -0.212 0.000 0.998 116 D CA 1.797 55.717 54.000 -0.134 0.000 0.836 116 D CB -0.825 39.981 40.800 0.010 0.000 0.951 116 D HN 0.602 nan 8.370 nan 0.000 0.449 117 G N -1.158 107.533 108.800 -0.183 0.000 3.088 117 G HA2 0.140 4.101 3.960 0.002 0.000 0.217 117 G HA3 0.140 4.101 3.960 0.002 0.000 0.217 117 G C 0.522 175.312 174.900 -0.184 0.000 1.159 117 G CA -0.114 44.893 45.100 -0.155 0.000 0.760 117 G HN 0.163 nan 8.290 nan 0.000 0.550 118 M N 0.364 119.785 119.600 -0.298 0.000 2.427 118 M HA -0.143 4.338 4.480 0.002 0.000 0.204 118 M C -1.029 175.221 176.300 -0.083 0.000 0.413 118 M CA 0.269 55.372 55.300 -0.329 0.000 0.507 118 M CB -1.651 30.722 32.600 -0.379 0.000 1.823 118 M HN 0.156 nan 8.290 nan 0.000 0.859 119 N N 0.658 119.185 118.700 -0.289 0.000 2.372 119 N HA 0.535 5.276 4.740 0.002 0.000 0.285 119 N C -1.471 173.760 175.510 -0.464 0.000 1.008 119 N CA -0.241 52.713 53.050 -0.161 0.000 0.880 119 N CB 1.114 39.531 38.487 -0.116 0.000 1.239 119 N HN 0.185 nan 8.380 nan 0.000 0.484 120 Y N 1.413 121.831 120.300 0.195 0.000 2.705 120 Y HA 0.303 4.855 4.550 0.002 0.000 0.355 120 Y C -1.675 174.273 175.900 0.081 0.000 1.039 120 Y CA -1.579 56.612 58.100 0.151 0.000 1.233 120 Y CB 1.572 40.186 38.460 0.257 0.000 1.103 120 Y HN 0.438 nan 8.280 nan 0.000 0.624 121 P HA -0.272 nan 4.420 nan 0.000 0.217 121 P C 1.421 178.742 177.300 0.035 0.000 1.148 121 P CA 2.165 65.294 63.100 0.050 0.000 0.834 121 P CB 0.420 32.129 31.700 0.014 0.000 0.783 122 A N -1.228 121.611 122.820 0.030 0.000 2.119 122 A HA -0.072 4.249 4.320 0.002 0.000 0.217 122 A C 2.156 179.720 177.584 -0.033 0.000 1.153 122 A CA 1.190 53.224 52.037 -0.006 0.000 0.692 122 A CB -1.321 17.666 19.000 -0.021 0.000 0.799 122 A HN 0.046 nan 8.150 nan 0.000 0.458 123 V N 0.717 120.594 119.914 -0.061 0.000 2.273 123 V HA -0.002 4.119 4.120 0.002 0.000 0.242 123 V C -0.925 175.133 176.094 -0.060 0.000 1.035 123 V CA 1.366 63.575 62.300 -0.151 0.000 1.013 123 V CB -1.358 30.165 31.823 -0.500 0.000 0.652 123 V HN 0.546 nan 8.190 nan 0.000 0.452 124 P HA 0.384 nan 4.420 nan 0.000 0.285 124 P C -1.924 175.438 177.300 0.103 0.000 1.269 124 P CA -0.223 62.898 63.100 0.035 0.000 0.844 124 P CB 1.544 33.280 31.700 0.060 0.000 1.094 125 Y N -0.688 119.778 120.300 0.276 0.000 2.499 125 Y HA 0.659 5.210 4.550 0.001 0.000 0.347 125 Y C 0.860 176.951 175.900 0.318 0.000 0.987 125 Y CA -0.461 57.821 58.100 0.303 0.000 1.044 125 Y CB 2.318 40.992 38.460 0.356 0.000 1.245 125 Y HN 0.658 nan 8.280 nan 0.000 0.461 126 G N -0.162 108.911 108.800 0.456 0.000 2.798 126 G HA2 0.410 4.371 3.960 0.002 0.000 0.286 126 G HA3 0.410 4.371 3.960 0.002 0.000 0.286 126 G C 0.106 175.243 174.900 0.396 0.000 1.389 126 G CA -0.614 44.680 45.100 0.323 0.000 0.894 126 G HN 0.513 nan 8.290 nan 0.000 0.488 127 S N -0.243 115.609 115.700 0.254 0.000 2.380 127 S HA -0.177 4.294 4.470 0.002 0.000 0.229 127 S C 2.451 177.202 174.600 0.251 0.000 1.043 127 S CA 1.907 60.253 58.200 0.242 0.000 1.038 127 S CB -0.537 62.719 63.200 0.094 0.000 0.872 127 S HN 1.031 nan 8.310 nan 0.000 0.456 128 G N 1.288 110.174 108.800 0.144 0.000 2.535 128 G HA2 -0.141 3.820 3.960 0.002 0.000 0.218 128 G HA3 -0.141 3.820 3.960 0.002 0.000 0.218 128 G C 0.667 175.593 174.900 0.043 0.000 1.122 128 G CA 0.649 45.797 45.100 0.082 0.000 0.769 128 G HN 0.445 nan 8.290 nan 0.000 0.549 129 D N -0.562 119.847 120.400 0.013 0.000 2.339 129 D HA 0.152 4.793 4.640 0.002 0.000 0.217 129 D C -0.010 175.949 176.300 -0.570 0.000 1.050 129 D CA 0.089 53.945 54.000 -0.241 0.000 0.856 129 D CB 0.292 40.931 40.800 -0.269 0.000 0.922 129 D HN 0.259 nan 8.370 nan 0.000 0.518 130 F N -0.223 119.659 119.950 -0.113 0.000 2.541 130 F HA 0.340 4.868 4.527 0.002 0.000 0.331 130 F C 0.956 176.703 175.800 -0.087 0.000 1.057 130 F CA -0.992 56.918 58.000 -0.149 0.000 0.975 130 F CB 0.921 39.879 39.000 -0.070 0.000 1.246 130 F HN -0.243 nan 8.300 nan 0.000 0.484 131 H N -0.704 118.472 119.070 0.177 0.000 2.615 131 H HA 0.288 4.845 4.556 0.002 0.000 0.363 131 H C -0.036 175.349 175.328 0.094 0.000 1.148 131 H CA -0.595 55.509 56.048 0.095 0.000 1.401 131 H CB 0.826 30.629 29.762 0.068 0.000 1.461 131 H HN 0.619 nan 8.280 nan 0.000 0.588 132 S N 3.760 119.577 115.700 0.195 0.000 2.558 132 S HA 0.053 4.524 4.470 0.002 0.000 0.288 132 S C -2.251 172.400 174.600 0.085 0.000 1.318 132 S CA -1.447 56.816 58.200 0.104 0.000 1.056 132 S CB 0.260 63.498 63.200 0.063 0.000 0.853 132 S HN 0.471 nan 8.310 nan 0.000 0.505 133 P HA 0.321 nan 4.420 nan 0.000 0.268 133 P C -0.113 177.202 177.300 0.024 0.000 1.208 133 P CA -0.329 62.790 63.100 0.031 0.000 0.777 133 P CB -0.058 31.641 31.700 -0.001 0.000 0.875 134 c N -0.933 117.680 118.600 0.022 0.000 2.951 134 c HA 0.485 5.056 4.570 0.002 0.000 0.331 134 c C -1.065 173.032 174.090 0.012 0.000 1.256 134 c CA -1.017 55.319 56.329 0.011 0.000 1.176 134 c CB 0.823 43.333 42.510 0.001 0.000 1.349 134 c HN 0.750 nan 8.230 nan 0.000 0.473 135 E N 0.676 120.880 120.200 0.005 0.000 2.227 135 E HA 0.673 5.024 4.350 0.002 0.000 0.268 135 E C -1.020 175.579 176.600 -0.001 0.000 0.907 135 E CA -0.829 55.573 56.400 0.004 0.000 0.786 135 E CB 1.949 31.652 29.700 0.006 0.000 1.191 135 E HN 0.597 nan 8.360 nan 0.000 0.411 136 V N 3.426 123.336 119.914 -0.005 0.000 2.446 136 V HA 0.011 4.132 4.120 0.002 0.000 0.276 136 V C 0.144 176.263 176.094 0.042 0.000 1.030 136 V CA 0.227 62.517 62.300 -0.018 0.000 1.033 136 V CB -0.453 31.355 31.823 -0.026 0.000 0.993 136 V HN 0.862 nan 8.190 nan 0.000 0.477 137 N N 2.338 121.061 118.700 0.038 0.000 1.986 137 N HA 0.066 4.807 4.740 0.002 0.000 0.227 137 N C -0.200 175.392 175.510 0.136 0.000 1.387 137 N CA -0.302 52.811 53.050 0.106 0.000 0.810 137 N CB 0.154 38.676 38.487 0.059 0.000 1.140 137 N HN 0.497 nan 8.380 nan 0.000 0.504 138 N N 0.424 119.169 118.700 0.075 0.000 2.617 138 N HA 0.216 4.957 4.740 0.002 0.000 0.263 138 N C -1.024 174.515 175.510 0.049 0.000 1.074 138 N CA -0.476 52.630 53.050 0.093 0.000 0.841 138 N CB 0.292 38.800 38.487 0.036 0.000 1.221 138 N HN 0.008 nan 8.380 nan 0.000 0.529 139 Y N 0.685 120.996 120.300 0.018 0.000 2.632 139 Y HA 0.073 4.624 4.550 0.001 0.000 0.301 139 Y C 1.458 177.361 175.900 0.006 0.000 1.172 139 Y CA 0.498 58.605 58.100 0.013 0.000 1.328 139 Y CB 0.302 38.767 38.460 0.008 0.000 1.016 139 Y HN 0.511 nan 8.280 nan 0.000 0.529 140 Q N -0.420 119.444 119.800 0.106 0.000 2.360 140 Q HA 0.031 4.372 4.340 0.002 0.000 0.202 140 Q C -0.275 175.738 176.000 0.021 0.000 0.915 140 Q CA 0.379 56.218 55.803 0.060 0.000 0.943 140 Q CB 0.344 29.112 28.738 0.051 0.000 1.064 140 Q HN 0.311 nan 8.270 nan 0.000 0.511 141 D N -0.252 120.146 120.400 -0.004 0.000 2.446 141 D HA 0.377 5.018 4.640 0.002 0.000 0.251 141 D C 0.588 176.854 176.300 -0.057 0.000 1.137 141 D CA -0.304 53.679 54.000 -0.027 0.000 0.890 141 D CB 1.141 41.925 40.800 -0.028 0.000 1.071 141 D HN -0.032 nan 8.370 nan 0.000 0.528 142 A N 3.728 126.523 122.820 -0.042 0.000 1.948 142 A HA -0.206 4.115 4.320 0.002 0.000 0.220 142 A C 1.673 179.222 177.584 -0.059 0.000 1.177 142 A CA 1.443 53.451 52.037 -0.048 0.000 0.636 142 A CB -0.130 18.857 19.000 -0.023 0.000 0.815 142 A HN 0.569 nan 8.150 nan 0.000 0.449 143 D N -0.551 119.815 120.400 -0.057 0.000 2.144 143 D HA -0.142 4.499 4.640 0.002 0.000 0.200 143 D C 1.876 178.126 176.300 -0.084 0.000 0.978 143 D CA 1.091 55.049 54.000 -0.069 0.000 0.833 143 D CB -0.424 40.338 40.800 -0.063 0.000 0.961 143 D HN 0.611 nan 8.370 nan 0.000 0.470 144 N N 1.014 119.666 118.700 -0.081 0.000 2.084 144 N HA -0.131 4.610 4.740 0.002 0.000 0.190 144 N C 1.915 177.364 175.510 -0.101 0.000 1.030 144 N CA 0.969 53.968 53.050 -0.084 0.000 0.849 144 N CB 0.096 38.537 38.487 -0.078 0.000 1.012 144 N HN -0.047 nan 8.380 nan 0.000 0.423 145 V N 1.469 121.290 119.914 -0.155 0.000 2.392 145 V HA -0.176 3.945 4.120 0.002 0.000 0.249 145 V C 2.431 178.542 176.094 0.028 0.000 1.059 145 V CA 1.666 63.858 62.300 -0.181 0.000 1.051 145 V CB -0.442 31.172 31.823 -0.349 0.000 0.658 145 V HN 0.342 nan 8.190 nan 0.000 0.455 146 R N -0.139 120.358 120.500 -0.005 0.000 2.112 146 R HA 0.076 4.417 4.340 0.002 0.000 0.216 146 R C 1.730 178.048 176.300 0.030 0.000 1.080 146 R CA 0.863 56.996 56.100 0.055 0.000 0.996 146 R CB -0.138 30.180 30.300 0.029 0.000 0.902 146 R HN 0.486 nan 8.270 nan 0.000 0.449 147 N N -0.495 118.137 118.700 -0.114 0.000 2.299 147 N HA 0.057 4.798 4.740 0.002 0.000 0.187 147 N C -0.027 175.398 175.510 -0.141 0.000 1.099 147 N CA 0.230 53.060 53.050 -0.366 0.000 0.867 147 N CB 0.455 38.623 38.487 -0.531 0.000 0.974 147 N HN 0.066 nan 8.380 nan 0.000 0.477 148 c N 0.989 119.578 118.600 -0.020 0.000 2.423 148 c HA 0.346 4.917 4.570 0.002 0.000 0.378 148 c C 0.698 174.824 174.090 0.060 0.000 1.244 148 c CA -1.028 55.314 56.329 0.021 0.000 1.978 148 c CB 1.402 43.906 42.510 -0.010 0.000 2.252 148 c HN 0.288 nan 8.230 nan 0.000 0.526 149 E N 0.945 121.172 120.200 0.046 0.000 2.290 149 E HA 0.226 4.577 4.350 0.002 0.000 0.277 149 E C -0.807 175.774 176.600 -0.032 0.000 1.035 149 E CA -0.240 56.178 56.400 0.030 0.000 0.873 149 E CB 0.586 30.305 29.700 0.033 0.000 1.029 149 E HN 0.336 nan 8.360 nan 0.000 0.419 150 L N 5.400 126.568 121.223 -0.092 0.000 2.325 150 L HA 0.020 4.361 4.340 0.002 0.000 0.284 150 L C 0.170 176.930 176.870 -0.184 0.000 1.089 150 L CA -0.105 54.618 54.840 -0.194 0.000 0.836 150 L CB 0.662 42.506 42.059 -0.359 0.000 1.184 150 L HN 0.515 nan 8.230 nan 0.000 0.444 151 V N 3.203 123.038 119.914 -0.131 0.000 5.359 151 V HA -0.205 3.916 4.120 0.002 0.000 0.278 151 V C 1.109 177.123 176.094 -0.133 0.000 0.622 151 V CA 1.018 63.237 62.300 -0.135 0.000 0.649 151 V CB -2.724 28.991 31.823 -0.180 0.000 0.408 151 V HN 2.036 nan 8.190 nan 0.000 0.918 152 G N -0.386 108.367 108.800 -0.079 0.000 2.184 152 G HA2 -0.259 3.702 3.960 0.002 0.000 0.264 152 G HA3 -0.259 3.702 3.960 0.002 0.000 0.264 152 G C 0.035 174.933 174.900 -0.003 0.000 0.975 152 G CA 0.290 45.368 45.100 -0.036 0.000 0.642 152 G HN 1.504 nan 8.290 nan 0.000 0.536 153 L N 1.431 122.615 121.223 -0.065 0.000 2.290 153 L HA 0.451 4.792 4.340 0.002 0.000 0.284 153 L C 0.966 177.879 176.870 0.071 0.000 1.078 153 L CA -1.223 53.596 54.840 -0.035 0.000 0.815 153 L CB 0.649 42.522 42.059 -0.311 0.000 1.162 153 L HN -0.011 nan 8.230 nan 0.000 0.435 154 R N 1.845 122.423 120.500 0.131 0.000 2.504 154 R HA -0.042 4.299 4.340 0.002 0.000 0.291 154 R C -0.569 175.892 176.300 0.270 0.000 0.974 154 R CA 0.087 56.225 56.100 0.063 0.000 1.077 154 R CB -0.294 29.855 30.300 -0.252 0.000 0.926 154 R HN 0.502 nan 8.270 nan 0.000 0.407 155 D N 2.845 123.419 120.400 0.290 0.000 2.347 155 D HA 0.177 4.818 4.640 0.002 0.000 0.235 155 D C 0.029 176.450 176.300 0.202 0.000 1.149 155 D CA -0.337 53.835 54.000 0.287 0.000 0.850 155 D CB 0.594 41.563 40.800 0.282 0.000 1.061 155 D HN 0.260 nan 8.370 nan 0.000 0.487 156 L N 3.267 124.478 121.223 -0.020 0.000 2.461 156 L HA 0.126 4.467 4.340 0.002 0.000 0.272 156 L C 0.730 177.259 176.870 -0.568 0.000 1.197 156 L CA -0.196 54.384 54.840 -0.434 0.000 0.836 156 L CB 0.327 42.111 42.059 -0.458 0.000 1.105 156 L HN 0.435 nan 8.230 nan 0.000 0.477 157 N N 1.583 119.884 118.700 -0.665 0.000 2.678 157 N HA 0.114 4.855 4.740 0.002 0.000 0.231 157 N C 0.181 175.497 175.510 -0.325 0.000 1.038 157 N CA -0.293 52.354 53.050 -0.672 0.000 0.932 157 N CB 0.995 39.193 38.487 -0.482 0.000 1.176 157 N HN 0.431 nan 8.380 nan 0.000 0.511 158 Q N 1.146 120.812 119.800 -0.224 0.000 2.515 158 Q HA 0.177 4.518 4.340 0.002 0.000 0.212 158 Q C 1.621 177.552 176.000 -0.115 0.000 0.970 158 Q CA 0.657 56.364 55.803 -0.160 0.000 0.941 158 Q CB 0.202 28.855 28.738 -0.142 0.000 0.998 158 Q HN 0.698 nan 8.270 nan 0.000 0.518 159 G N -0.393 108.362 108.800 -0.074 0.000 2.623 159 G HA2 -0.077 3.884 3.960 0.002 0.000 0.214 159 G HA3 -0.077 3.884 3.960 0.002 0.000 0.214 159 G C 0.523 175.396 174.900 -0.045 0.000 1.138 159 G CA 0.041 45.117 45.100 -0.041 0.000 0.794 159 G HN 0.326 nan 8.290 nan 0.000 0.535 160 S N 0.344 116.009 115.700 -0.059 0.000 2.548 160 S HA 0.131 4.602 4.470 0.002 0.000 0.277 160 S C 1.067 175.652 174.600 -0.024 0.000 1.315 160 S CA -0.447 57.737 58.200 -0.027 0.000 1.050 160 S CB 0.800 63.990 63.200 -0.018 0.000 0.918 160 S HN 0.206 nan 8.310 nan 0.000 0.497 161 D N 2.888 123.291 120.400 0.005 0.000 2.144 161 D HA -0.124 4.517 4.640 0.002 0.000 0.199 161 D C 1.315 177.624 176.300 0.015 0.000 0.984 161 D CA 1.389 55.388 54.000 -0.000 0.000 0.834 161 D CB -0.226 40.583 40.800 0.015 0.000 0.955 161 D HN 0.831 nan 8.370 nan 0.000 0.465 162 Y N 1.895 122.177 120.300 -0.030 0.000 2.114 162 Y HA -0.225 4.327 4.550 0.002 0.000 0.284 162 Y C 2.256 178.155 175.900 -0.001 0.000 1.143 162 Y CA 1.106 59.199 58.100 -0.012 0.000 1.135 162 Y CB -0.516 37.948 38.460 0.007 0.000 0.980 162 Y HN -0.235 nan 8.280 nan 0.000 0.499 163 V N 1.084 120.929 119.914 -0.115 0.000 2.287 163 V HA -0.343 3.778 4.120 0.002 0.000 0.248 163 V C 2.443 178.411 176.094 -0.210 0.000 1.053 163 V CA 2.388 64.589 62.300 -0.165 0.000 1.027 163 V CB -0.685 31.050 31.823 -0.147 0.000 0.646 163 V HN 0.355 nan 8.190 nan 0.000 0.447 164 R N 0.157 120.552 120.500 -0.175 0.000 2.091 164 R HA -0.135 4.205 4.340 0.002 0.000 0.238 164 R C 2.496 178.680 176.300 -0.194 0.000 1.136 164 R CA 1.569 57.562 56.100 -0.178 0.000 0.959 164 R CB -0.927 29.285 30.300 -0.147 0.000 0.856 164 R HN 0.605 nan 8.270 nan 0.000 0.437 165 G N 0.446 109.123 108.800 -0.205 0.000 2.446 165 G HA2 -0.230 3.731 3.960 0.002 0.000 0.217 165 G HA3 -0.230 3.731 3.960 0.002 0.000 0.217 165 G C 1.477 176.224 174.900 -0.255 0.000 1.168 165 G CA 0.833 45.812 45.100 -0.202 0.000 0.771 165 G HN 0.139 nan 8.290 nan 0.000 0.551 166 V N 0.993 120.680 119.914 -0.378 0.000 2.295 166 V HA -0.147 3.974 4.120 0.002 0.000 0.246 166 V C 2.939 178.829 176.094 -0.341 0.000 1.049 166 V CA 1.597 63.670 62.300 -0.379 0.000 1.024 166 V CB -0.455 31.097 31.823 -0.452 0.000 0.648 166 V HN 0.348 nan 8.190 nan 0.000 0.447 167 L N -0.822 120.222 121.223 -0.299 0.000 2.046 167 L HA -0.168 4.173 4.340 0.002 0.000 0.208 167 L C 2.376 179.122 176.870 -0.206 0.000 1.077 167 L CA 1.632 56.309 54.840 -0.272 0.000 0.747 167 L CB -0.511 41.423 42.059 -0.209 0.000 0.896 167 L HN 0.270 nan 8.230 nan 0.000 0.432 168 I N -0.137 120.320 120.570 -0.187 0.000 2.226 168 I HA -0.293 3.878 4.170 0.002 0.000 0.245 168 I C 2.121 178.163 176.117 -0.124 0.000 1.100 168 I CA 1.178 62.388 61.300 -0.151 0.000 1.374 168 I CB -0.375 37.550 38.000 -0.125 0.000 1.057 168 I HN 0.273 nan 8.210 nan 0.000 0.413 169 D N 0.126 120.454 120.400 -0.120 0.000 2.117 169 D HA -0.237 4.404 4.640 0.002 0.000 0.197 169 D C 1.897 178.184 176.300 -0.021 0.000 0.987 169 D CA 1.332 55.288 54.000 -0.074 0.000 0.829 169 D CB -0.422 40.322 40.800 -0.093 0.000 0.961 169 D HN 0.335 nan 8.370 nan 0.000 0.460 170 Y N 1.203 121.376 120.300 -0.212 0.000 2.097 170 Y HA -0.190 4.361 4.550 0.002 0.000 0.282 170 Y C 2.297 178.164 175.900 -0.054 0.000 1.152 170 Y CA 1.543 59.541 58.100 -0.170 0.000 1.136 170 Y CB -0.600 37.579 38.460 -0.469 0.000 0.975 170 Y HN -0.109 nan 8.280 nan 0.000 0.498 171 M N 0.056 119.405 119.600 -0.420 0.000 2.159 171 M HA -0.225 4.256 4.480 0.002 0.000 0.263 171 M C 1.757 177.989 176.300 -0.113 0.000 1.063 171 M CA 1.654 56.670 55.300 -0.473 0.000 1.110 171 M CB -0.409 31.798 32.600 -0.656 0.000 1.374 171 M HN 0.239 nan 8.290 nan 0.000 0.411 172 N N -0.484 118.175 118.700 -0.068 0.000 2.270 172 N HA -0.160 4.581 4.740 0.002 0.000 0.181 172 N C 1.578 177.121 175.510 0.055 0.000 1.016 172 N CA 1.130 54.186 53.050 0.010 0.000 0.870 172 N CB -0.473 38.016 38.487 0.003 0.000 0.979 172 N HN 0.406 nan 8.380 nan 0.000 0.431 173 H N 0.787 119.821 119.070 -0.060 0.000 2.353 173 H HA 0.064 4.621 4.556 0.002 0.000 0.300 173 H C 1.816 177.113 175.328 -0.050 0.000 1.090 173 H CA 1.469 57.495 56.048 -0.036 0.000 1.327 173 H CB -0.020 29.734 29.762 -0.015 0.000 1.383 173 H HN 0.008 nan 8.280 nan 0.000 0.508 174 M N -0.192 119.290 119.600 -0.196 0.000 2.117 174 M HA -0.102 4.378 4.480 0.002 0.000 0.262 174 M C 2.563 178.777 176.300 -0.142 0.000 1.065 174 M CA 1.140 56.303 55.300 -0.228 0.000 1.114 174 M CB -0.845 31.679 32.600 -0.126 0.000 1.361 174 M HN 0.341 nan 8.290 nan 0.000 0.408 175 I N 0.330 120.870 120.570 -0.051 0.000 2.226 175 I HA -0.306 3.865 4.170 0.002 0.000 0.245 175 I C 1.849 177.927 176.117 -0.066 0.000 1.100 175 I CA 1.144 62.399 61.300 -0.075 0.000 1.374 175 I CB -0.546 37.452 38.000 -0.003 0.000 1.057 175 I HN 0.233 nan 8.210 nan 0.000 0.413 176 D N 0.803 121.195 120.400 -0.014 0.000 2.178 176 D HA -0.107 4.534 4.640 0.002 0.000 0.201 176 D C 2.000 178.325 176.300 0.042 0.000 0.980 176 D CA 1.180 55.212 54.000 0.053 0.000 0.842 176 D CB -0.138 40.726 40.800 0.107 0.000 0.948 176 D HN 0.330 nan 8.370 nan 0.000 0.472 177 L N -0.580 120.588 121.223 -0.092 0.000 2.627 177 L HA 0.187 4.528 4.340 0.002 0.000 0.233 177 L C 1.312 177.865 176.870 -0.528 0.000 1.144 177 L CA 0.287 55.055 54.840 -0.120 0.000 0.892 177 L CB -0.178 41.856 42.059 -0.042 0.000 1.039 177 L HN 0.106 nan 8.230 nan 0.000 0.442 178 G N 0.518 108.904 108.800 -0.690 0.000 2.141 178 G HA2 -0.248 3.713 3.960 0.002 0.000 0.231 178 G HA3 -0.248 3.713 3.960 0.002 0.000 0.231 178 G C 0.307 174.946 174.900 -0.434 0.000 0.984 178 G CA 0.111 44.595 45.100 -1.026 0.000 0.660 178 G HN 0.238 nan 8.290 nan 0.000 0.525 179 V N -1.968 117.741 119.914 -0.343 0.000 2.881 179 V HA 0.809 4.930 4.120 0.002 0.000 0.303 179 V C 1.266 177.116 176.094 -0.407 0.000 1.070 179 V CA 0.668 62.750 62.300 -0.364 0.000 1.074 179 V CB 1.480 33.060 31.823 -0.405 0.000 1.012 179 V HN 1.399 nan 8.190 nan 0.000 0.482 180 A N 2.444 124.997 122.820 -0.446 0.000 2.220 180 A HA 0.773 5.094 4.320 0.002 0.000 0.211 180 A C 1.163 178.583 177.584 -0.273 0.000 1.176 180 A CA 0.706 52.482 52.037 -0.434 0.000 0.834 180 A CB -0.424 18.417 19.000 -0.266 0.000 0.868 180 A HN 2.028 nan 8.150 nan 0.000 0.488 181 G N -1.930 106.662 108.800 -0.346 0.000 2.340 181 G HA2 0.475 4.436 3.960 0.002 0.000 0.299 181 G HA3 0.475 4.436 3.960 0.002 0.000 0.299 181 G C -1.661 172.928 174.900 -0.518 0.000 1.291 181 G CA -0.710 44.295 45.100 -0.158 0.000 0.841 181 G HN 0.189 nan 8.290 nan 0.000 0.500 182 F N -0.119 119.882 119.950 0.085 0.000 2.578 182 F HA 0.678 5.206 4.527 0.002 0.000 0.311 182 F C 0.266 175.814 175.800 -0.419 0.000 1.094 182 F CA -0.914 57.034 58.000 -0.087 0.000 0.923 182 F CB 2.485 41.400 39.000 -0.141 0.000 1.230 182 F HN 0.384 nan 8.300 nan 0.000 0.450 183 R N 2.644 122.941 120.500 -0.339 0.000 2.198 183 R HA 0.531 4.872 4.340 0.002 0.000 0.339 183 R C -1.639 174.511 176.300 -0.251 0.000 1.020 183 R CA -0.305 55.297 56.100 -0.829 0.000 0.864 183 R CB 1.022 30.956 30.300 -0.611 0.000 1.105 183 R HN 0.590 nan 8.270 nan 0.000 0.463 184 V N 5.066 124.855 119.914 -0.209 0.000 2.372 184 V HA 0.012 4.133 4.120 0.002 0.000 0.261 184 V C 0.389 176.510 176.094 0.046 0.000 1.055 184 V CA -0.462 61.840 62.300 0.002 0.000 0.930 184 V CB 0.788 32.666 31.823 0.093 0.000 1.031 184 V HN 0.708 nan 8.190 nan 0.000 0.479 185 D N 4.701 125.172 120.400 0.118 0.000 2.424 185 D HA 0.397 5.038 4.640 0.002 0.000 0.244 185 D C 0.956 177.359 176.300 0.172 0.000 1.134 185 D CA 0.756 54.862 54.000 0.177 0.000 0.881 185 D CB 0.793 41.768 40.800 0.291 0.000 1.191 185 D HN 1.022 nan 8.370 nan 0.000 0.445 186 A N 2.970 125.902 122.820 0.187 0.000 2.704 186 A HA -0.180 4.141 4.320 0.002 0.000 0.299 186 A C 1.728 179.428 177.584 0.193 0.000 1.507 186 A CA 1.284 53.475 52.037 0.256 0.000 0.776 186 A CB -2.051 17.159 19.000 0.349 0.000 1.027 186 A HN 0.860 nan 8.150 nan 0.000 0.475 187 A N -0.163 122.698 122.820 0.069 0.000 1.978 187 A HA -0.161 4.160 4.320 0.002 0.000 0.220 187 A C 1.927 179.459 177.584 -0.086 0.000 1.170 187 A CA 2.273 54.312 52.037 0.003 0.000 0.636 187 A CB -0.347 18.584 19.000 -0.116 0.000 0.810 187 A HN 0.990 nan 8.150 nan 0.000 0.448 188 K N -0.908 119.371 120.400 -0.200 0.000 2.209 188 K HA -0.175 4.146 4.320 0.002 0.000 0.204 188 K C 1.093 177.598 176.600 -0.158 0.000 1.048 188 K CA 1.397 57.559 56.287 -0.209 0.000 0.940 188 K CB -0.233 32.094 32.500 -0.288 0.000 0.729 188 K HN 0.664 nan 8.250 nan 0.000 0.451 189 H N -0.390 118.739 119.070 0.099 0.000 2.536 189 H HA 0.187 4.744 4.556 0.002 0.000 0.276 189 H C -0.062 175.341 175.328 0.124 0.000 1.019 189 H CA 0.387 56.494 56.048 0.098 0.000 1.159 189 H CB 0.024 29.849 29.762 0.105 0.000 1.373 189 H HN 0.200 nan 8.280 nan 0.000 0.584 190 M N -0.131 119.600 119.600 0.218 0.000 2.572 190 M HA 0.263 4.744 4.480 0.002 0.000 0.299 190 M C -0.077 176.335 176.300 0.185 0.000 1.205 190 M CA -0.706 54.705 55.300 0.184 0.000 0.876 190 M CB 2.592 35.282 32.600 0.149 0.000 1.728 190 M HN -0.213 nan 8.290 nan 0.000 0.458 191 S N 2.030 117.785 115.700 0.091 0.000 2.523 191 S HA 0.197 4.668 4.470 0.002 0.000 0.275 191 S C -1.948 172.634 174.600 -0.029 0.000 1.281 191 S CA -1.094 57.122 58.200 0.026 0.000 1.050 191 S CB 0.736 63.933 63.200 -0.006 0.000 0.937 191 S HN 0.434 nan 8.310 nan 0.000 0.492 192 P HA -0.086 nan 4.420 nan 0.000 0.218 192 P C 1.662 178.874 177.300 -0.147 0.000 1.148 192 P CA 0.911 63.976 63.100 -0.058 0.000 0.822 192 P CB -0.046 31.575 31.700 -0.132 0.000 0.784 193 G N -0.355 108.377 108.800 -0.113 0.000 2.422 193 G HA2 -0.237 3.724 3.960 0.002 0.000 0.218 193 G HA3 -0.237 3.724 3.960 0.002 0.000 0.218 193 G C 1.251 176.035 174.900 -0.194 0.000 1.146 193 G CA 0.896 45.921 45.100 -0.124 0.000 0.769 193 G HN 0.202 nan 8.290 nan 0.000 0.547 194 D N 0.348 120.629 120.400 -0.199 0.000 2.137 194 D HA 0.011 4.652 4.640 0.002 0.000 0.202 194 D C 2.719 178.772 176.300 -0.411 0.000 0.970 194 D CA 0.247 54.106 54.000 -0.236 0.000 0.837 194 D CB -0.145 40.557 40.800 -0.164 0.000 0.981 194 D HN 0.274 nan 8.370 nan 0.000 0.475 195 L N 1.378 122.282 121.223 -0.532 0.000 2.046 195 L HA -0.180 4.161 4.340 0.002 0.000 0.208 195 L C 2.658 178.742 176.870 -1.309 0.000 1.077 195 L CA 1.338 55.574 54.840 -1.008 0.000 0.747 195 L CB -0.619 40.954 42.059 -0.810 0.000 0.896 195 L HN 0.069 nan 8.230 nan 0.000 0.432 196 S N -0.638 114.420 115.700 -1.071 0.000 2.370 196 S HA -0.154 4.317 4.470 0.002 0.000 0.226 196 S C 1.929 176.278 174.600 -0.418 0.000 1.033 196 S CA 1.280 59.008 58.200 -0.787 0.000 1.011 196 S CB -0.904 62.031 63.200 -0.442 0.000 0.852 196 S HN 0.174 nan 8.310 nan 0.000 0.457 197 V N 2.327 122.021 119.914 -0.365 0.000 2.295 197 V HA -0.130 3.991 4.120 0.002 0.000 0.246 197 V C 2.499 178.444 176.094 -0.248 0.000 1.049 197 V CA 1.919 64.076 62.300 -0.239 0.000 1.024 197 V CB -0.765 30.938 31.823 -0.199 0.000 0.648 197 V HN 0.488 nan 8.190 nan 0.000 0.447 198 I N -0.736 119.608 120.570 -0.378 0.000 2.127 198 I HA -0.244 3.927 4.170 0.002 0.000 0.241 198 I C 2.360 178.372 176.117 -0.176 0.000 1.075 198 I CA 1.727 62.825 61.300 -0.336 0.000 1.334 198 I CB -0.480 37.235 38.000 -0.475 0.000 1.040 198 I HN 0.223 nan 8.210 nan 0.000 0.405 199 F N 0.896 120.722 119.950 -0.206 0.000 2.216 199 F HA -0.148 4.380 4.527 0.002 0.000 0.300 199 F C 2.784 178.527 175.800 -0.096 0.000 1.085 199 F CA 0.859 58.769 58.000 -0.151 0.000 1.326 199 F CB -1.494 37.423 39.000 -0.137 0.000 1.027 199 F HN -0.010 nan 8.300 nan 0.000 0.497 200 S N -0.278 115.454 115.700 0.053 0.000 2.423 200 S HA -0.049 4.422 4.470 0.002 0.000 0.231 200 S C 2.313 176.918 174.600 0.007 0.000 1.014 200 S CA 0.989 59.206 58.200 0.027 0.000 0.965 200 S CB -0.734 62.459 63.200 -0.011 0.000 0.785 200 S HN 0.461 nan 8.310 nan 0.000 0.495 201 G N 0.798 109.587 108.800 -0.019 0.000 2.920 201 G HA2 0.224 4.185 3.960 0.002 0.000 0.208 201 G HA3 0.224 4.185 3.960 0.002 0.000 0.208 201 G C 0.278 175.169 174.900 -0.014 0.000 1.159 201 G CA -0.209 44.874 45.100 -0.028 0.000 0.784 201 G HN 0.335 nan 8.290 nan 0.000 0.535 202 L N 1.527 122.756 121.223 0.010 0.000 2.380 202 L HA 0.263 4.603 4.340 0.002 0.000 0.273 202 L C 0.859 177.741 176.870 0.020 0.000 1.138 202 L CA -0.644 54.206 54.840 0.017 0.000 0.832 202 L CB 0.936 43.024 42.059 0.048 0.000 1.124 202 L HN 0.215 nan 8.230 nan 0.000 0.454 203 K N 1.895 122.305 120.400 0.016 0.000 2.138 203 K HA 0.240 4.561 4.320 0.002 0.000 0.251 203 K C -0.347 176.256 176.600 0.006 0.000 1.015 203 K CA -0.888 55.407 56.287 0.013 0.000 0.917 203 K CB 0.587 33.097 32.500 0.015 0.000 1.021 203 K HN 0.347 nan 8.250 nan 0.000 0.485 204 N N 0.787 119.487 118.700 0.001 0.000 2.340 204 N HA 0.065 4.806 4.740 0.002 0.000 0.236 204 N C 0.116 175.597 175.510 -0.047 0.000 1.296 204 N CA -0.208 52.832 53.050 -0.018 0.000 0.896 204 N CB 0.124 38.611 38.487 0.001 0.000 1.127 204 N HN 0.433 nan 8.380 nan 0.000 0.442 205 L N 1.137 122.287 121.223 -0.123 0.000 2.483 205 L HA 0.035 4.375 4.340 0.002 0.000 0.276 205 L C 1.057 177.919 176.870 -0.013 0.000 1.213 205 L CA -0.272 54.428 54.840 -0.233 0.000 0.843 205 L CB 0.077 41.719 42.059 -0.695 0.000 1.107 205 L HN 0.449 nan 8.230 nan 0.000 0.487 206 N N 1.164 119.920 118.700 0.093 0.000 2.406 206 N HA -0.028 4.713 4.740 0.002 0.000 0.265 206 N C 1.121 176.863 175.510 0.387 0.000 1.203 206 N CA 0.113 53.315 53.050 0.253 0.000 0.945 206 N CB 1.023 39.710 38.487 0.333 0.000 1.165 206 N HN 0.666 nan 8.380 nan 0.000 0.485 207 T N -0.098 114.600 114.554 0.240 0.000 2.897 207 T HA -0.126 4.225 4.350 0.002 0.000 0.271 207 T C 0.866 175.635 174.700 0.116 0.000 1.084 207 T CA 0.922 63.136 62.100 0.190 0.000 1.123 207 T CB 0.007 68.941 68.868 0.110 0.000 0.865 207 T HN 0.321 nan 8.240 nan 0.000 0.496 208 D N 0.529 120.985 120.400 0.094 0.000 2.351 208 D HA -0.025 4.616 4.640 0.002 0.000 0.216 208 D C 0.603 176.752 176.300 -0.252 0.000 0.968 208 D CA 0.839 54.784 54.000 -0.091 0.000 0.899 208 D CB -0.254 40.449 40.800 -0.161 0.000 0.907 208 D HN 0.611 nan 8.370 nan 0.000 0.514 209 Y N -0.841 119.460 120.300 0.002 0.000 2.555 209 Y HA 0.344 4.894 4.550 0.001 0.000 0.259 209 Y C 1.719 177.421 175.900 -0.330 0.000 1.179 209 Y CA 0.045 58.076 58.100 -0.116 0.000 1.230 209 Y CB 0.902 39.337 38.460 -0.043 0.000 1.146 209 Y HN -0.007 nan 8.280 nan 0.000 0.526 210 G N -0.694 108.024 108.800 -0.137 0.000 2.159 210 G HA2 -0.263 3.698 3.960 0.002 0.000 0.227 210 G HA3 -0.263 3.698 3.960 0.002 0.000 0.227 210 G C -0.140 174.612 174.900 -0.246 0.000 0.986 210 G CA -0.587 44.382 45.100 -0.219 0.000 0.651 210 G HN 0.133 nan 8.290 nan 0.000 0.523 211 F N 1.543 121.520 119.950 0.044 0.000 2.375 211 F HA 0.714 5.242 4.527 0.000 0.000 0.333 211 F C 1.032 176.845 175.800 0.021 0.000 1.104 211 F CA -0.236 57.780 58.000 0.027 0.000 1.149 211 F CB 1.116 40.131 39.000 0.026 0.000 1.190 211 F HN 0.292 nan 8.300 nan 0.000 0.533 212 A N 1.845 124.799 122.820 0.223 0.000 2.386 212 A HA 0.179 4.500 4.320 0.002 0.000 0.248 212 A C -0.075 177.576 177.584 0.111 0.000 1.082 212 A CA -0.751 51.360 52.037 0.123 0.000 0.789 212 A CB -0.030 19.024 19.000 0.090 0.000 1.025 212 A HN 0.713 nan 8.150 nan 0.000 0.490 213 D N 0.449 120.894 120.400 0.075 0.000 2.455 213 D HA 0.328 4.969 4.640 0.002 0.000 0.241 213 D C 1.261 177.589 176.300 0.047 0.000 1.138 213 D CA 1.918 55.953 54.000 0.059 0.000 0.877 213 D CB 0.737 41.562 40.800 0.043 0.000 1.187 213 D HN 1.100 nan 8.370 nan 0.000 0.451 214 G N 1.248 110.070 108.800 0.037 0.000 2.159 214 G HA2 -0.227 3.734 3.960 0.002 0.000 0.256 214 G HA3 -0.227 3.734 3.960 0.002 0.000 0.256 214 G C 0.476 175.387 174.900 0.019 0.000 0.977 214 G CA 0.234 45.349 45.100 0.026 0.000 0.652 214 G HN 0.843 nan 8.290 nan 0.000 0.531 215 A N 0.451 123.281 122.820 0.018 0.000 2.488 215 A HA 0.650 4.971 4.320 0.002 0.000 0.249 215 A C 0.762 178.313 177.584 -0.054 0.000 1.083 215 A CA 0.198 52.229 52.037 -0.010 0.000 0.768 215 A CB 0.337 19.334 19.000 -0.003 0.000 1.017 215 A HN 0.362 nan 8.150 nan 0.000 0.496 216 R N 2.572 123.049 120.500 -0.039 0.000 2.532 216 R HA 0.466 4.807 4.340 0.002 0.000 0.295 216 R C -2.808 173.471 176.300 -0.036 0.000 0.968 216 R CA -2.456 53.629 56.100 -0.025 0.000 0.916 216 R CB 0.916 31.227 30.300 0.018 0.000 1.124 216 R HN 0.541 nan 8.270 nan 0.000 0.463 217 P HA -0.034 nan 4.420 nan 0.000 0.265 217 P C -0.394 176.974 177.300 0.114 0.000 1.193 217 P CA -0.088 63.014 63.100 0.004 0.000 0.765 217 P CB 0.309 32.066 31.700 0.095 0.000 0.823 218 F N 4.991 124.932 119.950 -0.015 0.000 2.495 218 F HA 0.245 4.774 4.527 0.002 0.000 0.365 218 F C -0.081 175.768 175.800 0.082 0.000 1.090 218 F CA -0.574 57.442 58.000 0.027 0.000 1.235 218 F CB 0.108 39.144 39.000 0.061 0.000 1.119 218 F HN 0.135 nan 8.300 nan 0.000 0.562 219 I N 8.552 128.853 120.570 -0.448 0.000 2.418 219 I HA 0.198 4.369 4.170 0.002 0.000 0.287 219 I C -1.192 174.587 176.117 -0.564 0.000 1.008 219 I CA -0.760 60.264 61.300 -0.460 0.000 1.104 219 I CB 1.069 38.772 38.000 -0.495 0.000 1.264 219 I HN 0.564 nan 8.210 nan 0.000 0.438 220 Y N 3.820 123.763 120.300 -0.596 0.000 2.346 220 Y HA 0.716 5.268 4.550 0.002 0.000 0.332 220 Y C -0.876 174.917 175.900 -0.177 0.000 0.985 220 Y CA -1.184 56.654 58.100 -0.436 0.000 1.112 220 Y CB 0.985 39.145 38.460 -0.500 0.000 1.170 220 Y HN 0.518 nan 8.280 nan 0.000 0.447 221 Q N 2.530 122.309 119.800 -0.035 0.000 2.282 221 Q HA 0.290 4.631 4.340 0.002 0.000 0.260 221 Q C -0.970 175.022 176.000 -0.014 0.000 0.964 221 Q CA -0.975 54.806 55.803 -0.036 0.000 0.880 221 Q CB 2.678 31.424 28.738 0.012 0.000 1.286 221 Q HN 0.785 nan 8.270 nan 0.000 0.445 222 E N 2.394 122.584 120.200 -0.017 0.000 2.129 222 E HA 0.124 4.475 4.350 0.002 0.000 0.283 222 E C -0.454 176.118 176.600 -0.047 0.000 1.080 222 E CA -0.095 56.321 56.400 0.026 0.000 0.867 222 E CB 0.645 30.379 29.700 0.056 0.000 1.056 222 E HN 0.539 nan 8.360 nan 0.000 0.404 223 V N 5.251 125.137 119.914 -0.046 0.000 3.013 223 V HA 0.075 4.196 4.120 0.002 0.000 0.238 223 V C 0.744 176.798 176.094 -0.067 0.000 1.161 223 V CA -0.057 62.161 62.300 -0.137 0.000 1.170 223 V CB -0.211 31.488 31.823 -0.207 0.000 0.917 223 V HN 0.864 nan 8.190 nan 0.000 0.478 224 I N 2.309 122.871 120.570 -0.014 0.000 7.141 224 I HA -0.181 3.990 4.170 0.002 0.000 0.126 224 I C -0.664 175.396 176.117 -0.096 0.000 1.833 224 I CA 0.255 61.461 61.300 -0.157 0.000 2.047 224 I CB -0.927 36.871 38.000 -0.337 0.000 3.597 224 I HN 0.365 nan 8.210 nan 0.000 0.172 225 D N 5.604 126.012 120.400 0.014 0.000 2.440 225 D HA 0.541 5.182 4.640 0.002 0.000 0.239 225 D C 0.237 176.578 176.300 0.068 0.000 1.084 225 D CA -0.415 53.607 54.000 0.036 0.000 0.843 225 D CB 1.185 42.022 40.800 0.063 0.000 1.097 225 D HN 0.403 nan 8.370 nan 0.000 0.531 226 L N 2.970 124.217 121.223 0.041 0.000 2.959 226 L HA 0.468 4.809 4.340 0.002 0.000 0.259 226 L C 1.015 177.914 176.870 0.048 0.000 1.185 226 L CA -0.169 54.712 54.840 0.068 0.000 0.998 226 L CB -0.017 42.083 42.059 0.069 0.000 1.337 226 L HN 0.650 nan 8.230 nan 0.000 0.555 227 G N -0.570 108.254 108.800 0.040 0.000 2.707 227 G HA2 0.120 4.081 3.960 0.002 0.000 0.686 227 G HA3 0.120 4.081 3.960 0.002 0.000 0.686 227 G C 0.479 175.395 174.900 0.026 0.000 1.315 227 G CA -0.372 44.748 45.100 0.033 0.000 0.832 227 G HN 0.546 nan 8.290 nan 0.000 0.573 228 G N -0.586 108.228 108.800 0.025 0.000 2.221 228 G HA2 0.032 3.993 3.960 0.002 0.000 0.265 228 G HA3 0.032 3.993 3.960 0.002 0.000 0.265 228 G C 0.133 175.054 174.900 0.035 0.000 1.041 228 G CA 1.732 46.846 45.100 0.023 0.000 0.807 228 G HN 1.215 nan 8.290 nan 0.000 0.502 229 E N -1.866 118.362 120.200 0.047 0.000 2.433 229 E HA 0.676 5.027 4.350 0.002 0.000 0.273 229 E C 1.141 177.776 176.600 0.060 0.000 0.950 229 E CA -0.531 55.912 56.400 0.072 0.000 0.796 229 E CB 1.275 31.035 29.700 0.100 0.000 1.330 229 E HN 0.417 nan 8.360 nan 0.000 0.455 230 A N 1.150 124.007 122.820 0.061 0.000 1.969 230 A HA 0.047 4.368 4.320 0.002 0.000 0.218 230 A C 0.871 178.479 177.584 0.039 0.000 1.169 230 A CA 0.921 52.980 52.037 0.037 0.000 0.635 230 A CB -0.235 18.777 19.000 0.020 0.000 0.810 230 A HN 0.449 nan 8.150 nan 0.000 0.445 231 I N -0.173 120.431 120.570 0.056 0.000 2.437 231 I HA 0.340 4.511 4.170 0.002 0.000 0.298 231 I C 0.178 176.354 176.117 0.099 0.000 0.984 231 I CA -0.339 61.009 61.300 0.081 0.000 1.214 231 I CB 1.879 39.935 38.000 0.094 0.000 1.365 231 I HN 0.135 nan 8.210 nan 0.000 0.469 232 S N 4.165 119.937 115.700 0.120 0.000 2.536 232 S HA 0.305 4.776 4.470 0.002 0.000 0.298 232 S C 0.833 175.548 174.600 0.190 0.000 1.083 232 S CA -0.901 57.368 58.200 0.115 0.000 0.995 232 S CB 1.491 64.734 63.200 0.072 0.000 1.058 232 S HN 0.745 nan 8.310 nan 0.000 0.488 233 K N 2.778 123.268 120.400 0.151 0.000 2.209 233 K HA -0.065 4.256 4.320 0.002 0.000 0.204 233 K C 0.821 177.525 176.600 0.174 0.000 1.048 233 K CA 1.239 57.628 56.287 0.169 0.000 0.940 233 K CB -0.421 32.141 32.500 0.104 0.000 0.729 233 K HN 0.453 nan 8.250 nan 0.000 0.451 234 N N 1.755 120.517 118.700 0.104 0.000 2.453 234 N HA -0.110 4.631 4.740 0.002 0.000 0.183 234 N C 0.923 176.432 175.510 -0.002 0.000 1.041 234 N CA 0.985 54.060 53.050 0.042 0.000 0.900 234 N CB 0.064 38.565 38.487 0.023 0.000 0.961 234 N HN 0.517 nan 8.380 nan 0.000 0.443 235 E N -0.652 119.556 120.200 0.014 0.000 2.427 235 E HA -0.073 4.278 4.350 0.002 0.000 0.196 235 E C 0.460 176.833 176.600 -0.378 0.000 1.028 235 E CA 0.555 56.854 56.400 -0.170 0.000 0.864 235 E CB 0.056 29.611 29.700 -0.241 0.000 0.813 235 E HN 0.497 nan 8.360 nan 0.000 0.514 236 Y N -0.695 119.497 120.300 -0.179 0.000 2.445 236 Y HA 0.042 4.593 4.550 0.001 0.000 0.247 236 Y C 2.214 177.735 175.900 -0.632 0.000 1.129 236 Y CA 0.546 58.404 58.100 -0.402 0.000 1.251 236 Y CB 0.440 38.853 38.460 -0.079 0.000 1.176 236 Y HN 0.025 nan 8.280 nan 0.000 0.522 237 T N -3.565 110.840 114.554 -0.247 0.000 3.160 237 T HA 0.069 4.420 4.350 0.002 0.000 0.257 237 T C 2.017 176.561 174.700 -0.259 0.000 1.147 237 T CA 0.770 62.746 62.100 -0.206 0.000 1.064 237 T CB -0.229 68.591 68.868 -0.081 0.000 0.949 237 T HN 0.349 nan 8.240 nan 0.000 0.526 238 G N 1.375 109.919 108.800 -0.428 0.000 2.511 238 G HA2 0.146 4.107 3.960 0.002 0.000 0.217 238 G HA3 0.146 4.107 3.960 0.002 0.000 0.217 238 G C 0.729 175.572 174.900 -0.096 0.000 1.133 238 G CA 0.273 45.236 45.100 -0.227 0.000 0.792 238 G HN 0.717 nan 8.290 nan 0.000 0.539 239 F N -1.108 118.900 119.950 0.097 0.000 2.775 239 F HA 0.645 5.173 4.527 0.001 0.000 0.313 239 F C 0.514 176.354 175.800 0.068 0.000 1.121 239 F CA -1.234 56.837 58.000 0.119 0.000 1.206 239 F CB 0.319 39.452 39.000 0.220 0.000 1.052 239 F HN 0.208 nan 8.300 nan 0.000 0.524 240 G N -0.702 108.113 108.800 0.024 0.000 2.313 240 G HA2 0.343 4.304 3.960 0.002 0.000 0.296 240 G HA3 0.343 4.304 3.960 0.002 0.000 0.296 240 G C -1.680 173.178 174.900 -0.071 0.000 1.356 240 G CA -0.798 44.288 45.100 -0.023 0.000 0.833 240 G HN 0.154 nan 8.290 nan 0.000 0.552 241 C N -0.783 118.447 119.300 -0.117 0.000 2.422 241 C HA 0.792 5.253 4.460 0.002 0.000 0.364 241 C C 0.640 175.617 174.990 -0.021 0.000 1.251 241 C CA -0.337 58.641 59.018 -0.067 0.000 2.441 241 C CB 0.919 28.611 27.740 -0.080 0.000 2.393 241 C HN 0.589 nan 8.230 nan 0.000 0.606 242 V N 2.370 122.300 119.914 0.026 0.000 2.604 242 V HA 0.350 4.471 4.120 0.002 0.000 0.305 242 V C -0.279 175.893 176.094 0.130 0.000 1.043 242 V CA -0.456 61.882 62.300 0.063 0.000 0.888 242 V CB 1.743 33.600 31.823 0.057 0.000 0.995 242 V HN 0.648 nan 8.190 nan 0.000 0.429 243 L N 3.451 124.791 121.223 0.195 0.000 2.456 243 L HA 0.235 4.576 4.340 0.002 0.000 0.277 243 L C 0.592 177.679 176.870 0.363 0.000 1.124 243 L CA 0.034 55.082 54.840 0.346 0.000 0.880 243 L CB 0.322 42.603 42.059 0.370 0.000 1.192 243 L HN 0.648 nan 8.230 nan 0.000 0.463 244 E N 3.000 123.372 120.200 0.287 0.000 1.858 244 E HA -0.047 4.304 4.350 0.002 0.000 0.267 244 E C 0.590 177.275 176.600 0.141 0.000 1.215 244 E CA 0.148 56.672 56.400 0.206 0.000 0.952 244 E CB 0.042 29.847 29.700 0.176 0.000 1.058 244 E HN 0.402 nan 8.360 nan 0.000 0.407 245 F N 3.111 123.134 119.950 0.122 0.000 2.216 245 F HA -0.155 4.373 4.527 0.002 0.000 0.300 245 F C 2.009 177.842 175.800 0.055 0.000 1.085 245 F CA 1.387 59.445 58.000 0.097 0.000 1.326 245 F CB 0.251 39.350 39.000 0.164 0.000 1.027 245 F HN 0.492 nan 8.300 nan 0.000 0.497 246 Q N -0.204 119.745 119.800 0.249 0.000 2.226 246 Q HA -0.230 4.111 4.340 0.002 0.000 0.204 246 Q C 1.968 178.059 176.000 0.150 0.000 0.975 246 Q CA 1.725 57.642 55.803 0.190 0.000 0.866 246 Q CB -0.746 28.086 28.738 0.157 0.000 0.915 246 Q HN 0.509 nan 8.270 nan 0.000 0.440 247 F N -0.446 119.478 119.950 -0.043 0.000 2.046 247 F HA -0.105 4.423 4.527 0.002 0.000 0.297 247 F C 1.956 177.756 175.800 0.000 0.000 1.123 247 F CA 2.270 60.294 58.000 0.040 0.000 1.199 247 F CB -0.803 38.177 39.000 -0.035 0.000 0.972 247 F HN 0.177 nan 8.300 nan 0.000 0.474 248 G N -0.400 108.423 108.800 0.038 0.000 2.422 248 G HA2 -0.192 3.769 3.960 0.002 0.000 0.218 248 G HA3 -0.192 3.769 3.960 0.002 0.000 0.218 248 G C 1.723 176.573 174.900 -0.083 0.000 1.146 248 G CA 1.086 46.138 45.100 -0.079 0.000 0.769 248 G HN 0.371 nan 8.290 nan 0.000 0.547 249 V N 1.064 120.935 119.914 -0.072 0.000 2.295 249 V HA -0.180 3.941 4.120 0.002 0.000 0.246 249 V C 3.120 179.237 176.094 0.039 0.000 1.049 249 V CA 2.302 64.613 62.300 0.017 0.000 1.024 249 V CB -0.524 31.364 31.823 0.108 0.000 0.648 249 V HN 0.371 nan 8.190 nan 0.000 0.447 250 S N -0.243 115.502 115.700 0.075 0.000 2.368 250 S HA -0.039 4.432 4.470 0.002 0.000 0.224 250 S C 1.909 176.443 174.600 -0.111 0.000 1.029 250 S CA 1.232 59.495 58.200 0.105 0.000 0.988 250 S CB -0.275 63.134 63.200 0.349 0.000 0.838 250 S HN 0.418 nan 8.310 nan 0.000 0.462 251 L N 0.981 122.043 121.223 -0.268 0.000 2.093 251 L HA -0.051 4.290 4.340 0.002 0.000 0.208 251 L C 2.737 179.563 176.870 -0.072 0.000 1.085 251 L CA 1.217 55.840 54.840 -0.361 0.000 0.755 251 L CB -1.162 40.620 42.059 -0.461 0.000 0.904 251 L HN 0.435 nan 8.230 nan 0.000 0.435 252 G N -0.037 108.743 108.800 -0.033 0.000 2.442 252 G HA2 -0.348 3.613 3.960 0.002 0.000 0.219 252 G HA3 -0.348 3.613 3.960 0.002 0.000 0.219 252 G C 1.348 176.261 174.900 0.022 0.000 1.141 252 G CA 1.143 46.261 45.100 0.031 0.000 0.763 252 G HN 0.368 nan 8.290 nan 0.000 0.554 253 N N 0.924 119.618 118.700 -0.010 0.000 2.109 253 N HA 0.053 4.794 4.740 0.002 0.000 0.188 253 N C 2.445 177.912 175.510 -0.072 0.000 1.034 253 N CA 1.683 54.722 53.050 -0.018 0.000 0.846 253 N CB -0.438 38.051 38.487 0.003 0.000 1.010 253 N HN 0.214 nan 8.380 nan 0.000 0.425 254 A N -0.130 122.595 122.820 -0.157 0.000 1.865 254 A HA -0.098 4.223 4.320 0.002 0.000 0.217 254 A C 1.890 179.232 177.584 -0.403 0.000 1.191 254 A CA 1.321 53.158 52.037 -0.334 0.000 0.623 254 A CB -1.267 17.378 19.000 -0.592 0.000 0.826 254 A HN 0.406 nan 8.150 nan 0.000 0.444 255 F N -0.083 119.731 119.950 -0.226 0.000 2.699 255 F HA -0.013 4.515 4.527 0.001 0.000 0.298 255 F C 2.193 177.942 175.800 -0.085 0.000 1.154 255 F CA 1.094 58.993 58.000 -0.168 0.000 1.457 255 F CB -0.003 38.895 39.000 -0.169 0.000 1.106 255 F HN 0.321 nan 8.300 nan 0.000 0.585 256 Q N -0.605 119.220 119.800 0.041 0.000 2.198 256 Q HA 0.247 4.588 4.340 0.002 0.000 0.209 256 Q C 1.464 177.458 176.000 -0.011 0.000 0.848 256 Q CA 0.403 56.225 55.803 0.031 0.000 0.974 256 Q CB 0.595 29.352 28.738 0.031 0.000 1.115 256 Q HN 0.432 nan 8.270 nan 0.000 0.494 257 G N 0.021 108.789 108.800 -0.053 0.000 2.157 257 G HA2 -0.280 3.681 3.960 0.002 0.000 0.248 257 G HA3 -0.280 3.681 3.960 0.002 0.000 0.248 257 G C 0.665 175.526 174.900 -0.065 0.000 0.979 257 G CA 0.053 45.114 45.100 -0.064 0.000 0.650 257 G HN 0.517 nan 8.290 nan 0.000 0.529 258 G N -0.723 108.039 108.800 -0.063 0.000 2.920 258 G HA2 0.356 4.317 3.960 0.002 0.000 0.208 258 G HA3 0.356 4.317 3.960 0.002 0.000 0.208 258 G C 0.379 175.243 174.900 -0.061 0.000 1.159 258 G CA 0.926 45.996 45.100 -0.050 0.000 0.784 258 G HN 0.735 nan 8.290 nan 0.000 0.535 259 N N -0.615 118.029 118.700 -0.094 0.000 2.555 259 N HA 0.130 4.871 4.740 0.002 0.000 0.265 259 N C -1.192 174.232 175.510 -0.144 0.000 1.135 259 N CA -0.535 52.460 53.050 -0.092 0.000 0.925 259 N CB 1.255 39.712 38.487 -0.049 0.000 1.662 259 N HN 0.058 nan 8.380 nan 0.000 0.489 260 Q N 2.603 122.335 119.800 -0.114 0.000 2.313 260 Q HA 0.250 4.591 4.340 0.002 0.000 0.266 260 Q C 1.313 177.207 176.000 -0.177 0.000 0.989 260 Q CA -0.080 55.644 55.803 -0.131 0.000 0.890 260 Q CB 1.415 30.102 28.738 -0.086 0.000 1.200 260 Q HN 0.557 nan 8.270 nan 0.000 0.396 261 L N 2.829 123.899 121.223 -0.255 0.000 2.187 261 L HA -0.268 4.073 4.340 0.002 0.000 0.213 261 L C 2.080 178.875 176.870 -0.125 0.000 1.100 261 L CA 1.607 56.242 54.840 -0.342 0.000 0.765 261 L CB -0.629 41.194 42.059 -0.394 0.000 0.904 261 L HN 0.684 nan 8.230 nan 0.000 0.437 262 K N -0.614 119.762 120.400 -0.039 0.000 2.281 262 K HA -0.148 4.173 4.320 0.002 0.000 0.203 262 K C 1.479 178.175 176.600 0.159 0.000 1.046 262 K CA 1.414 57.767 56.287 0.109 0.000 0.938 262 K CB -0.371 32.140 32.500 0.019 0.000 0.737 262 K HN 0.217 nan 8.250 nan 0.000 0.458 263 N N 0.784 119.528 118.700 0.074 0.000 2.512 263 N HA -0.009 4.732 4.740 0.002 0.000 0.183 263 N C 1.032 176.691 175.510 0.247 0.000 1.073 263 N CA 0.686 53.819 53.050 0.139 0.000 0.911 263 N CB 0.008 38.576 38.487 0.135 0.000 0.964 263 N HN 0.285 nan 8.380 nan 0.000 0.447 264 L N 0.280 121.536 121.223 0.056 0.000 2.610 264 L HA 0.114 4.455 4.340 0.002 0.000 0.232 264 L C 2.064 178.828 176.870 -0.175 0.000 1.149 264 L CA -0.127 54.626 54.840 -0.144 0.000 0.872 264 L CB -0.276 41.482 42.059 -0.501 0.000 0.992 264 L HN 0.051 nan 8.230 nan 0.000 0.447 265 A N 1.590 124.200 122.820 -0.350 0.000 1.978 265 A HA -0.196 4.125 4.320 0.002 0.000 0.220 265 A C 1.715 178.989 177.584 -0.516 0.000 1.170 265 A CA 1.949 53.349 52.037 -1.062 0.000 0.636 265 A CB -0.440 18.010 19.000 -0.918 0.000 0.810 265 A HN 0.649 nan 8.150 nan 0.000 0.448 266 N N -1.542 117.096 118.700 -0.105 0.000 2.328 266 N HA -0.027 4.714 4.740 0.002 0.000 0.247 266 N C -0.019 175.590 175.510 0.165 0.000 1.165 266 N CA -0.674 52.402 53.050 0.043 0.000 0.873 266 N CB -0.590 37.954 38.487 0.094 0.000 1.125 266 N HN 0.654 nan 8.380 nan 0.000 0.513 267 W N 1.572 122.711 121.300 -0.268 0.000 2.295 267 W HA 0.332 4.992 4.660 0.001 0.000 0.335 267 W C 0.140 176.415 176.519 -0.407 0.000 1.351 267 W CA 1.624 58.550 57.345 -0.697 0.000 1.273 267 W CB 0.344 29.352 29.460 -0.753 0.000 1.214 267 W HN 0.380 nan 8.180 nan 0.000 0.563 268 G N 5.463 113.630 108.800 -1.055 0.000 2.334 268 G HA2 -0.137 3.824 3.960 0.002 0.000 0.249 268 G HA3 -0.137 3.824 3.960 0.002 0.000 0.249 268 G C -2.547 172.072 174.900 -0.469 0.000 1.327 268 G CA -0.367 44.236 45.100 -0.828 0.000 0.979 268 G HN 0.158 nan 8.290 nan 0.000 0.471 269 P HA 0.018 nan 4.420 nan 0.000 0.218 269 P C 1.425 178.717 177.300 -0.013 0.000 1.146 269 P CA 1.633 64.706 63.100 -0.045 0.000 0.813 269 P CB 0.051 31.767 31.700 0.026 0.000 0.778 270 E N -2.167 118.048 120.200 0.025 0.000 2.265 270 E HA -0.172 4.179 4.350 0.002 0.000 0.196 270 E C 0.895 177.528 176.600 0.056 0.000 0.996 270 E CA 0.798 57.228 56.400 0.050 0.000 0.832 270 E CB -0.348 29.401 29.700 0.082 0.000 0.756 270 E HN 0.417 nan 8.360 nan 0.000 0.491 271 W N 0.133 121.307 121.300 -0.210 0.000 3.345 271 W HA 0.218 4.879 4.660 0.002 0.000 0.282 271 W C 1.232 177.644 176.519 -0.178 0.000 1.302 271 W CA 0.757 57.982 57.345 -0.199 0.000 1.724 271 W CB 0.420 29.696 29.460 -0.307 0.000 1.104 271 W HN 0.112 nan 8.180 nan 0.000 0.694 272 G N 0.009 108.827 108.800 0.030 0.000 2.141 272 G HA2 -0.278 3.683 3.960 0.002 0.000 0.242 272 G HA3 -0.278 3.683 3.960 0.002 0.000 0.242 272 G C 0.118 175.018 174.900 0.000 0.000 0.982 272 G CA -0.235 44.872 45.100 0.011 0.000 0.662 272 G HN 0.146 nan 8.290 nan 0.000 0.527 273 L N 0.095 121.280 121.223 -0.064 0.000 2.439 273 L HA 0.589 4.930 4.340 0.002 0.000 0.259 273 L C 1.574 178.478 176.870 0.055 0.000 1.129 273 L CA -1.085 53.722 54.840 -0.055 0.000 0.803 273 L CB 0.588 42.462 42.059 -0.308 0.000 1.161 273 L HN 0.038 nan 8.230 nan 0.000 0.462 274 L N 0.611 121.916 121.223 0.137 0.000 2.479 274 L HA 0.020 4.361 4.340 0.002 0.000 0.270 274 L C 0.558 177.528 176.870 0.168 0.000 1.236 274 L CA -0.062 54.853 54.840 0.126 0.000 0.823 274 L CB 0.208 42.333 42.059 0.111 0.000 1.098 274 L HN 0.553 nan 8.230 nan 0.000 0.500 275 E N 0.585 120.837 120.200 0.087 0.000 2.414 275 E HA 0.034 4.385 4.350 0.002 0.000 0.263 275 E C 1.063 177.654 176.600 -0.015 0.000 1.000 275 E CA 0.751 57.193 56.400 0.069 0.000 0.914 275 E CB 1.385 31.100 29.700 0.024 0.000 0.948 275 E HN 0.570 nan 8.360 nan 0.000 0.444 276 G N 4.599 113.348 108.800 -0.085 0.000 2.556 276 G HA2 -0.321 3.640 3.960 0.002 0.000 0.220 276 G HA3 -0.321 3.640 3.960 0.002 0.000 0.220 276 G C 1.364 176.067 174.900 -0.329 0.000 1.156 276 G CA 1.330 46.143 45.100 -0.478 0.000 0.766 276 G HN 0.704 nan 8.290 nan 0.000 0.583 277 L N -1.944 119.186 121.223 -0.155 0.000 2.353 277 L HA 0.145 4.486 4.340 0.002 0.000 0.220 277 L C 1.079 177.908 176.870 -0.068 0.000 1.133 277 L CA 1.795 56.575 54.840 -0.099 0.000 0.798 277 L CB -0.123 41.905 42.059 -0.052 0.000 0.922 277 L HN -0.065 nan 8.230 nan 0.000 0.445 278 D N 1.001 121.357 120.400 -0.073 0.000 2.369 278 D HA 0.319 4.960 4.640 0.002 0.000 0.211 278 D C 0.679 176.958 176.300 -0.035 0.000 1.077 278 D CA 0.528 54.506 54.000 -0.037 0.000 0.842 278 D CB 0.771 41.559 40.800 -0.020 0.000 0.947 278 D HN 0.500 nan 8.370 nan 0.000 0.509 279 A N 0.448 123.210 122.820 -0.097 0.000 2.355 279 A HA 0.606 4.927 4.320 0.002 0.000 0.324 279 A C -0.502 177.031 177.584 -0.086 0.000 1.117 279 A CA -0.519 51.472 52.037 -0.077 0.000 0.785 279 A CB 1.877 20.823 19.000 -0.090 0.000 1.254 279 A HN -0.060 nan 8.150 nan 0.000 0.453 280 V N 2.887 122.798 119.914 -0.004 0.000 2.409 280 V HA 0.527 4.648 4.120 0.002 0.000 0.291 280 V C 0.041 176.170 176.094 0.057 0.000 1.020 280 V CA -0.414 61.882 62.300 -0.006 0.000 0.848 280 V CB 1.256 33.064 31.823 -0.026 0.000 0.990 280 V HN 0.995 nan 8.190 nan 0.000 0.430 281 V N 3.252 123.108 119.914 -0.097 0.000 2.881 281 V HA 0.966 5.087 4.120 0.002 0.000 0.316 281 V C -0.762 175.275 176.094 -0.095 0.000 1.070 281 V CA -0.778 61.289 62.300 -0.388 0.000 0.976 281 V CB 1.765 32.856 31.823 -1.220 0.000 1.038 281 V HN 0.867 nan 8.190 nan 0.000 0.446 282 F N -0.758 119.054 119.950 -0.230 0.000 2.744 282 F HA 0.761 5.289 4.527 0.001 0.000 0.311 282 F C -0.045 175.860 175.800 0.175 0.000 1.144 282 F CA -0.920 57.079 58.000 -0.002 0.000 0.938 282 F CB 0.746 39.760 39.000 0.023 0.000 1.292 282 F HN 0.231 nan 8.300 nan 0.000 0.444 283 V N 0.023 120.119 119.914 0.302 0.000 2.500 283 V HA 0.069 4.190 4.120 0.002 0.000 0.243 283 V C 0.045 176.304 176.094 0.275 0.000 1.039 283 V CA 1.888 64.340 62.300 0.253 0.000 1.053 283 V CB -0.493 31.462 31.823 0.220 0.000 0.695 283 V HN 0.920 nan 8.190 nan 0.000 0.463 284 D N -0.395 120.255 120.400 0.416 0.000 2.596 284 D HA 0.328 4.969 4.640 0.002 0.000 0.234 284 D C -1.101 175.399 176.300 0.332 0.000 1.181 284 D CA -0.627 53.578 54.000 0.342 0.000 0.856 284 D CB 1.814 42.758 40.800 0.239 0.000 1.498 284 D HN 0.301 nan 8.370 nan 0.000 0.446 285 N N -1.901 116.879 118.700 0.133 0.000 2.701 285 N HA 0.153 4.894 4.740 0.002 0.000 0.290 285 N C 1.189 176.585 175.510 -0.189 0.000 1.338 285 N CA -0.589 52.410 53.050 -0.086 0.000 0.799 285 N CB 0.234 38.504 38.487 -0.362 0.000 1.491 285 N HN 0.567 nan 8.380 nan 0.000 0.540 286 H N -1.719 117.157 119.070 -0.323 0.000 2.456 286 H HA -0.085 4.472 4.556 0.001 0.000 0.296 286 H C 0.050 175.004 175.328 -0.623 0.000 1.079 286 H CA 1.755 57.374 56.048 -0.715 0.000 1.322 286 H CB 0.012 29.035 29.762 -1.232 0.000 1.388 286 H HN 0.679 nan 8.280 nan 0.000 0.538 287 D N 1.567 121.395 120.400 -0.953 0.000 2.146 287 D HA -0.147 4.494 4.640 0.002 0.000 0.209 287 D C 1.981 178.157 176.300 -0.208 0.000 0.973 287 D CA 1.274 54.934 54.000 -0.566 0.000 0.860 287 D CB -0.202 40.321 40.800 -0.461 0.000 1.015 287 D HN 0.510 nan 8.370 nan 0.000 0.465 288 N N 0.680 119.339 118.700 -0.069 0.000 2.550 288 N HA -0.164 4.577 4.740 0.002 0.000 0.186 288 N C 1.362 176.890 175.510 0.030 0.000 1.110 288 N CA 0.812 53.904 53.050 0.069 0.000 0.912 288 N CB -0.825 37.797 38.487 0.224 0.000 0.968 288 N HN 0.484 nan 8.380 nan 0.000 0.448 289 Q N -0.345 119.437 119.800 -0.030 0.000 2.436 289 Q HA 0.026 4.367 4.340 0.002 0.000 0.209 289 Q C 0.148 176.215 176.000 0.112 0.000 0.965 289 Q CA 0.451 56.273 55.803 0.032 0.000 0.910 289 Q CB -0.088 28.680 28.738 0.050 0.000 0.980 289 Q HN 0.214 nan 8.270 nan 0.000 0.491 290 R N 2.257 122.766 120.500 0.015 0.000 2.755 290 R HA 0.226 4.567 4.340 0.002 0.000 0.268 290 R C -0.860 175.499 176.300 0.099 0.000 1.295 290 R CA 0.045 56.190 56.100 0.074 0.000 1.379 290 R CB 0.919 31.178 30.300 -0.069 0.000 1.170 290 R HN 0.258 nan 8.270 nan 0.000 0.584 291 T N -2.993 111.627 114.554 0.110 0.000 2.908 291 T HA 0.372 4.723 4.350 0.002 0.000 0.290 291 T C 1.061 175.809 174.700 0.080 0.000 1.034 291 T CA -0.921 61.233 62.100 0.089 0.000 1.010 291 T CB 2.105 71.019 68.868 0.078 0.000 1.068 291 T HN 0.332 nan 8.240 nan 0.000 0.481 292 G N -0.379 108.462 108.800 0.068 0.000 3.026 292 G HA2 0.498 4.459 3.960 0.002 0.000 0.208 292 G HA3 0.498 4.459 3.960 0.002 0.000 0.208 292 G C 0.519 175.444 174.900 0.042 0.000 1.169 292 G CA 0.040 45.174 45.100 0.056 0.000 0.788 292 G HN 1.098 nan 8.290 nan 0.000 0.533 293 G N -0.642 108.183 108.800 0.042 0.000 3.247 293 G HA2 0.460 4.421 3.960 0.002 0.000 0.226 293 G HA3 0.460 4.421 3.960 0.002 0.000 0.226 293 G C 0.207 175.120 174.900 0.023 0.000 1.220 293 G CA 0.498 45.616 45.100 0.031 0.000 0.875 293 G HN 0.545 nan 8.290 nan 0.000 0.606 294 S N -1.530 114.182 115.700 0.019 0.000 3.073 294 S HA 0.176 4.647 4.470 0.002 0.000 0.252 294 S C 0.843 175.454 174.600 0.018 0.000 0.953 294 S CA -0.208 57.997 58.200 0.009 0.000 1.105 294 S CB 0.725 63.925 63.200 0.000 0.000 1.070 294 S HN 0.508 nan 8.310 nan 0.000 0.574 295 Q N 0.641 120.460 119.800 0.032 0.000 2.245 295 Q HA 0.220 4.561 4.340 0.002 0.000 0.201 295 Q C 0.083 176.107 176.000 0.040 0.000 0.955 295 Q CA 0.615 56.441 55.803 0.039 0.000 0.870 295 Q CB 0.122 28.892 28.738 0.053 0.000 0.945 295 Q HN 0.521 nan 8.270 nan 0.000 0.461 296 I N 1.593 122.186 120.570 0.039 0.000 2.353 296 I HA 0.198 4.369 4.170 0.002 0.000 0.293 296 I C -0.052 176.080 176.117 0.026 0.000 0.992 296 I CA -0.570 60.753 61.300 0.037 0.000 1.268 296 I CB 1.022 39.048 38.000 0.044 0.000 1.387 296 I HN 0.090 nan 8.210 nan 0.000 0.478 297 L N 6.191 127.452 121.223 0.063 0.000 2.349 297 L HA 0.399 4.740 4.340 0.002 0.000 0.275 297 L C 0.707 177.527 176.870 -0.084 0.000 1.115 297 L CA -0.032 54.848 54.840 0.067 0.000 0.820 297 L CB 1.218 43.414 42.059 0.228 0.000 1.135 297 L HN 0.775 nan 8.230 nan 0.000 0.445 298 T N -1.783 112.516 114.554 -0.425 0.000 2.804 298 T HA 0.245 4.596 4.350 0.002 0.000 0.290 298 T C 0.741 174.754 174.700 -1.145 0.000 1.099 298 T CA -0.533 61.065 62.100 -0.837 0.000 1.011 298 T CB 0.642 69.265 68.868 -0.408 0.000 1.291 298 T HN 0.512 nan 8.240 nan 0.000 0.523 299 Y N 0.451 120.271 120.300 -0.799 0.000 2.465 299 Y HA 0.206 4.757 4.550 0.002 0.000 0.289 299 Y C 1.807 177.705 175.900 -0.003 0.000 1.150 299 Y CA 0.882 58.884 58.100 -0.163 0.000 1.293 299 Y CB -0.705 37.820 38.460 0.108 0.000 0.977 299 Y HN 0.523 nan 8.280 nan 0.000 0.556 300 K N 0.825 120.803 120.400 -0.704 0.000 2.525 300 K HA -0.038 4.283 4.320 0.002 0.000 0.192 300 K C 0.118 176.600 176.600 -0.198 0.000 1.029 300 K CA 0.691 56.695 56.287 -0.473 0.000 1.029 300 K CB -0.154 31.983 32.500 -0.605 0.000 0.814 300 K HN 0.479 nan 8.250 nan 0.000 0.503 301 N N 0.521 119.138 118.700 -0.139 0.000 2.733 301 N HA 0.113 4.854 4.740 0.002 0.000 0.271 301 N C -2.470 173.092 175.510 0.087 0.000 1.720 301 N CA -1.652 51.380 53.050 -0.031 0.000 0.803 301 N CB 0.921 39.386 38.487 -0.037 0.000 1.208 301 N HN -0.216 nan 8.380 nan 0.000 0.498 302 P HA -0.286 nan 4.420 nan 0.000 0.214 302 P C 1.240 178.654 177.300 0.190 0.000 1.172 302 P CA 1.414 64.640 63.100 0.209 0.000 0.925 302 P CB 0.297 32.021 31.700 0.041 0.000 0.793 303 K N -0.729 119.726 120.400 0.092 0.000 1.987 303 K HA -0.156 4.165 4.320 0.002 0.000 0.216 303 K C -0.551 176.106 176.600 0.096 0.000 1.051 303 K CA 2.827 59.156 56.287 0.070 0.000 0.942 303 K CB -1.664 30.862 32.500 0.043 0.000 0.722 303 K HN 0.183 nan 8.250 nan 0.000 0.444 304 P HA -0.178 nan 4.420 nan 0.000 0.221 304 P C 1.201 178.552 177.300 0.085 0.000 1.150 304 P CA 1.195 64.361 63.100 0.111 0.000 0.800 304 P CB -0.155 31.627 31.700 0.137 0.000 0.787 305 Y N 2.465 122.780 120.300 0.026 0.000 2.128 305 Y HA -0.167 4.385 4.550 0.002 0.000 0.284 305 Y C 2.246 178.176 175.900 0.051 0.000 1.154 305 Y CA 1.758 59.891 58.100 0.053 0.000 1.149 305 Y CB -0.852 37.697 38.460 0.148 0.000 0.976 305 Y HN -0.169 nan 8.280 nan 0.000 0.505 306 K N -0.620 119.817 120.400 0.062 0.000 2.211 306 K HA -0.156 4.165 4.320 0.002 0.000 0.203 306 K C 2.141 178.679 176.600 -0.102 0.000 1.050 306 K CA 1.626 57.894 56.287 -0.031 0.000 0.945 306 K CB -0.186 32.358 32.500 0.073 0.000 0.732 306 K HN 0.395 nan 8.250 nan 0.000 0.451 307 M N 0.084 119.606 119.600 -0.130 0.000 2.132 307 M HA -0.128 4.353 4.480 0.002 0.000 0.263 307 M C 2.390 178.324 176.300 -0.611 0.000 1.065 307 M CA 1.539 56.718 55.300 -0.201 0.000 1.122 307 M CB -0.228 32.288 32.600 -0.139 0.000 1.365 307 M HN 0.193 nan 8.290 nan 0.000 0.411 308 A N 0.558 122.869 122.820 -0.850 0.000 1.902 308 A HA -0.136 4.185 4.320 0.002 0.000 0.217 308 A C 2.059 179.485 177.584 -0.263 0.000 1.181 308 A CA 1.465 53.012 52.037 -0.816 0.000 0.623 308 A CB -0.937 17.803 19.000 -0.433 0.000 0.818 308 A HN 0.458 nan 8.150 nan 0.000 0.443 309 I N -0.272 120.173 120.570 -0.208 0.000 2.226 309 I HA -0.283 3.888 4.170 0.002 0.000 0.245 309 I C 2.946 179.057 176.117 -0.009 0.000 1.100 309 I CA 1.022 62.264 61.300 -0.097 0.000 1.374 309 I CB -0.314 37.566 38.000 -0.201 0.000 1.057 309 I HN 0.369 nan 8.210 nan 0.000 0.413 310 A N 0.567 123.379 122.820 -0.015 0.000 1.902 310 A HA -0.250 4.071 4.320 0.002 0.000 0.217 310 A C 2.228 179.920 177.584 0.180 0.000 1.181 310 A CA 1.381 53.434 52.037 0.027 0.000 0.623 310 A CB -0.929 18.064 19.000 -0.010 0.000 0.818 310 A HN 0.442 nan 8.150 nan 0.000 0.443 311 F N 0.097 120.127 119.950 0.134 0.000 2.134 311 F HA -0.172 4.357 4.527 0.003 0.000 0.299 311 F C 2.319 178.236 175.800 0.195 0.000 1.097 311 F CA 2.099 60.190 58.000 0.150 0.000 1.264 311 F CB -0.232 38.643 39.000 -0.208 0.000 1.001 311 F HN 0.292 nan 8.300 nan 0.000 0.479 312 M N -0.061 119.684 119.600 0.242 0.000 2.080 312 M HA -0.232 4.249 4.480 0.002 0.000 0.260 312 M C 1.870 178.292 176.300 0.203 0.000 1.068 312 M CA 1.984 57.490 55.300 0.343 0.000 1.109 312 M CB -0.443 32.403 32.600 0.410 0.000 1.342 312 M HN 0.296 nan 8.290 nan 0.000 0.405 313 L N -0.147 121.148 121.223 0.121 0.000 2.291 313 L HA -0.040 4.301 4.340 0.002 0.000 0.214 313 L C 2.573 179.516 176.870 0.122 0.000 1.120 313 L CA 0.677 55.572 54.840 0.091 0.000 0.799 313 L CB -0.696 41.384 42.059 0.035 0.000 0.925 313 L HN 0.418 nan 8.230 nan 0.000 0.446 314 A N -2.069 120.797 122.820 0.076 0.000 1.984 314 A HA -0.056 4.265 4.320 0.002 0.000 0.214 314 A C 1.169 178.951 177.584 0.331 0.000 1.173 314 A CA 0.227 52.356 52.037 0.153 0.000 0.673 314 A CB -0.316 18.623 19.000 -0.102 0.000 0.830 314 A HN 0.282 nan 8.150 nan 0.000 0.453 315 H N 0.708 119.820 119.070 0.071 0.000 2.582 315 H HA 0.182 4.739 4.556 0.002 0.000 0.345 315 H C -1.712 173.700 175.328 0.140 0.000 1.104 315 H CA -1.239 54.828 56.048 0.032 0.000 1.390 315 H CB 1.525 31.136 29.762 -0.252 0.000 1.461 315 H HN 0.106 nan 8.280 nan 0.000 0.551 316 P HA -0.124 nan 4.420 nan 0.000 0.237 316 P C 0.136 177.543 177.300 0.179 0.000 1.178 316 P CA 0.431 63.563 63.100 0.054 0.000 0.766 316 P CB -0.200 31.476 31.700 -0.040 0.000 0.876 317 Y N 2.434 122.912 120.300 0.298 0.000 2.569 317 Y HA 0.326 4.877 4.550 0.002 0.000 0.332 317 Y C 1.268 177.249 175.900 0.134 0.000 1.120 317 Y CA 1.311 59.563 58.100 0.254 0.000 1.416 317 Y CB -0.349 38.337 38.460 0.377 0.000 1.210 317 Y HN 0.296 nan 8.280 nan 0.000 0.528 318 G N 4.000 112.488 108.800 -0.519 0.000 2.806 318 G HA2 -0.227 3.734 3.960 0.002 0.000 0.236 318 G HA3 -0.227 3.734 3.960 0.002 0.000 0.236 318 G C -0.604 174.196 174.900 -0.165 0.000 1.387 318 G CA -0.338 44.506 45.100 -0.426 0.000 0.884 318 G HN 0.811 nan 8.290 nan 0.000 0.560 319 T N 1.363 115.831 114.554 -0.144 0.000 2.767 319 T HA 0.619 4.970 4.350 0.002 0.000 0.288 319 T C 0.805 175.470 174.700 -0.058 0.000 0.963 319 T CA 0.514 62.569 62.100 -0.075 0.000 1.019 319 T CB 1.026 69.823 68.868 -0.118 0.000 0.923 319 T HN 1.208 nan 8.240 nan 0.000 0.468 320 T N 1.909 116.464 114.554 0.001 0.000 2.837 320 T HA 0.600 4.951 4.350 0.002 0.000 0.285 320 T C -0.197 174.532 174.700 0.049 0.000 0.984 320 T CA -1.034 61.074 62.100 0.012 0.000 1.049 320 T CB 1.292 70.183 68.868 0.037 0.000 0.947 320 T HN 0.514 nan 8.240 nan 0.000 0.472 321 R N 2.563 123.111 120.500 0.080 0.000 2.599 321 R HA 0.660 5.001 4.340 0.002 0.000 0.295 321 R C -1.213 175.181 176.300 0.157 0.000 0.963 321 R CA -0.905 55.257 56.100 0.102 0.000 0.883 321 R CB 1.143 31.480 30.300 0.062 0.000 1.171 321 R HN 0.759 nan 8.270 nan 0.000 0.450 322 I N 4.411 125.075 120.570 0.157 0.000 2.433 322 I HA 0.273 4.444 4.170 0.002 0.000 0.292 322 I C -0.093 176.112 176.117 0.146 0.000 1.001 322 I CA -1.082 60.316 61.300 0.163 0.000 1.119 322 I CB 1.976 40.097 38.000 0.201 0.000 1.289 322 I HN 0.556 nan 8.210 nan 0.000 0.438 323 M N 5.349 125.042 119.600 0.156 0.000 2.235 323 M HA 0.255 4.736 4.480 0.002 0.000 0.351 323 M C -0.271 176.075 176.300 0.076 0.000 1.178 323 M CA 0.599 55.979 55.300 0.133 0.000 1.143 323 M CB 0.999 33.697 32.600 0.163 0.000 1.530 323 M HN 0.462 nan 8.290 nan 0.000 0.461 324 S N 3.006 118.723 115.700 0.027 0.000 2.745 324 S HA 0.646 5.117 4.470 0.002 0.000 0.283 324 S C -1.060 173.632 174.600 0.152 0.000 1.170 324 S CA -0.657 57.575 58.200 0.054 0.000 1.119 324 S CB 0.376 63.534 63.200 -0.070 0.000 1.035 324 S HN 0.836 nan 8.310 nan 0.000 0.483 325 S N 3.334 119.114 115.700 0.134 0.000 2.730 325 S HA 0.768 5.239 4.470 0.002 0.000 0.284 325 S C -0.511 174.226 174.600 0.228 0.000 1.153 325 S CA -0.722 57.569 58.200 0.151 0.000 0.995 325 S CB 0.536 63.748 63.200 0.020 0.000 1.058 325 S HN 0.675 nan 8.310 nan 0.000 0.552 326 F N -1.007 119.055 119.950 0.186 0.000 2.522 326 F HA 0.566 5.094 4.527 0.001 0.000 0.324 326 F C -0.353 175.483 175.800 0.059 0.000 1.077 326 F CA -1.404 56.569 58.000 -0.045 0.000 0.944 326 F CB 0.313 39.144 39.000 -0.280 0.000 1.175 326 F HN 0.319 nan 8.300 nan 0.000 0.468 327 D N 2.958 123.475 120.400 0.195 0.000 2.455 327 D HA 0.220 4.861 4.640 0.002 0.000 0.241 327 D C -0.679 175.887 176.300 0.443 0.000 1.138 327 D CA 1.039 55.156 54.000 0.195 0.000 0.877 327 D CB 0.889 41.747 40.800 0.097 0.000 1.187 327 D HN 0.584 nan 8.370 nan 0.000 0.451 328 F N -1.955 118.138 119.950 0.238 0.000 2.654 328 F HA 0.373 4.901 4.527 0.001 0.000 0.308 328 F C 0.549 176.450 175.800 0.169 0.000 1.108 328 F CA -0.870 57.264 58.000 0.224 0.000 0.957 328 F CB 1.143 40.264 39.000 0.203 0.000 1.309 328 F HN 0.164 nan 8.300 nan 0.000 0.446 329 T N -3.176 111.521 114.554 0.239 0.000 2.964 329 T HA 0.292 4.643 4.350 0.002 0.000 0.249 329 T C -0.274 174.576 174.700 0.251 0.000 1.000 329 T CA 0.232 62.400 62.100 0.113 0.000 0.992 329 T CB 0.022 68.943 68.868 0.089 0.000 1.087 329 T HN 0.540 nan 8.240 nan 0.000 0.489 330 D N 1.504 122.133 120.400 0.382 0.000 2.252 330 D HA 0.430 5.071 4.640 0.002 0.000 0.245 330 D C 0.324 176.888 176.300 0.441 0.000 1.009 330 D CA -0.688 53.520 54.000 0.347 0.000 0.870 330 D CB 1.710 42.662 40.800 0.253 0.000 1.251 330 D HN -0.112 nan 8.370 nan 0.000 0.460 331 N N 0.437 119.351 118.700 0.358 0.000 2.244 331 N HA -0.103 4.638 4.740 0.002 0.000 0.183 331 N C 0.593 176.407 175.510 0.505 0.000 1.016 331 N CA 0.907 54.158 53.050 0.334 0.000 0.866 331 N CB 0.235 38.901 38.487 0.298 0.000 0.980 331 N HN 0.411 nan 8.380 nan 0.000 0.430 332 D N 0.512 121.191 120.400 0.465 0.000 2.348 332 D HA -0.055 4.586 4.640 0.002 0.000 0.211 332 D C 0.635 177.150 176.300 0.358 0.000 0.998 332 D CA 0.107 54.403 54.000 0.493 0.000 0.873 332 D CB 0.054 41.097 40.800 0.404 0.000 0.925 332 D HN 0.332 nan 8.370 nan 0.000 0.524 333 Q N 1.038 121.057 119.800 0.366 0.000 2.304 333 Q HA 0.165 4.506 4.340 0.002 0.000 0.315 333 Q C 0.411 176.634 176.000 0.370 0.000 1.075 333 Q CA 0.098 56.084 55.803 0.305 0.000 0.988 333 Q CB 0.567 29.521 28.738 0.360 0.000 1.146 333 Q HN 0.092 nan 8.270 nan 0.000 0.383 334 G N 4.484 113.342 108.800 0.096 0.000 2.557 334 G HA2 0.439 4.400 3.960 0.002 0.000 0.292 334 G HA3 0.439 4.400 3.960 0.002 0.000 0.292 334 G C -2.447 172.124 174.900 -0.549 0.000 1.237 334 G CA -1.116 43.938 45.100 -0.077 0.000 0.978 334 G HN 0.636 nan 8.290 nan 0.000 0.498 335 P HA 0.189 nan 4.420 nan 0.000 0.271 335 P C -2.670 174.208 177.300 -0.703 0.000 1.233 335 P CA -1.043 61.199 63.100 -1.430 0.000 0.789 335 P CB -0.104 31.029 31.700 -0.946 0.000 0.951 336 P HA 0.021 nan 4.420 nan 0.000 0.261 336 P C -0.416 176.752 177.300 -0.220 0.000 1.183 336 P CA 0.831 63.728 63.100 -0.339 0.000 0.761 336 P CB -0.008 31.494 31.700 -0.329 0.000 0.785 337 Q N 1.484 121.186 119.800 -0.163 0.000 2.501 337 Q HA 0.557 4.898 4.340 0.002 0.000 0.288 337 Q C -1.187 174.761 176.000 -0.088 0.000 1.051 337 Q CA -1.055 54.674 55.803 -0.122 0.000 0.788 337 Q CB 1.583 30.243 28.738 -0.129 0.000 1.469 337 Q HN 0.291 nan 8.270 nan 0.000 0.416 338 D N 0.331 120.688 120.400 -0.071 0.000 2.511 338 D HA 0.274 4.915 4.640 0.002 0.000 0.276 338 D C 1.117 177.387 176.300 -0.049 0.000 1.220 338 D CA -0.062 53.906 54.000 -0.054 0.000 1.077 338 D CB -0.111 40.661 40.800 -0.047 0.000 1.126 338 D HN 0.686 nan 8.370 nan 0.000 0.583 339 G N -1.242 107.534 108.800 -0.039 0.000 2.462 339 G HA2 -0.224 3.737 3.960 0.002 0.000 0.220 339 G HA3 -0.224 3.737 3.960 0.002 0.000 0.220 339 G C 1.220 176.100 174.900 -0.035 0.000 1.121 339 G CA 1.204 46.284 45.100 -0.033 0.000 0.758 339 G HN 0.535 nan 8.290 nan 0.000 0.559 340 S N -0.986 114.692 115.700 -0.037 0.000 2.575 340 S HA 0.401 4.872 4.470 0.002 0.000 0.215 340 S C 1.741 176.315 174.600 -0.043 0.000 0.966 340 S CA 0.869 59.047 58.200 -0.036 0.000 0.911 340 S CB 0.263 63.443 63.200 -0.033 0.000 0.780 340 S HN 1.459 nan 8.310 nan 0.000 0.514 341 G N 1.541 110.310 108.800 -0.052 0.000 2.176 341 G HA2 -0.216 3.745 3.960 0.002 0.000 0.232 341 G HA3 -0.216 3.745 3.960 0.002 0.000 0.232 341 G C -0.245 174.614 174.900 -0.068 0.000 0.986 341 G CA -0.319 44.745 45.100 -0.061 0.000 0.643 341 G HN 0.489 nan 8.290 nan 0.000 0.522 342 N N 0.563 119.224 118.700 -0.065 0.000 2.525 342 N HA 0.410 5.151 4.740 0.002 0.000 0.271 342 N C 0.769 176.228 175.510 -0.085 0.000 1.194 342 N CA -0.116 52.892 53.050 -0.071 0.000 0.964 342 N CB 0.946 39.396 38.487 -0.061 0.000 1.126 342 N HN 0.315 nan 8.380 nan 0.000 0.452 343 L N 2.007 123.171 121.223 -0.098 0.000 2.416 343 L HA 0.240 4.581 4.340 0.002 0.000 0.272 343 L C 0.645 177.458 176.870 -0.094 0.000 1.161 343 L CA -0.115 54.660 54.840 -0.109 0.000 0.845 343 L CB 0.384 42.368 42.059 -0.126 0.000 1.119 343 L HN 0.311 nan 8.230 nan 0.000 0.464 344 I N 2.183 122.709 120.570 -0.073 0.000 2.342 344 I HA 0.108 4.279 4.170 0.002 0.000 0.291 344 I C 0.443 176.528 176.117 -0.053 0.000 1.010 344 I CA -0.080 61.189 61.300 -0.052 0.000 1.308 344 I CB 1.431 39.412 38.000 -0.032 0.000 1.400 344 I HN 0.600 nan 8.210 nan 0.000 0.488 345 S N 7.684 123.297 115.700 -0.145 0.000 2.562 345 S HA 0.185 4.656 4.470 0.002 0.000 0.281 345 S C -2.222 172.151 174.600 -0.378 0.000 1.333 345 S CA -0.841 57.173 58.200 -0.310 0.000 1.052 345 S CB 0.420 63.476 63.200 -0.240 0.000 0.884 345 S HN 0.373 nan 8.310 nan 0.000 0.506 346 P HA 0.219 nan 4.420 nan 0.000 0.268 346 P C -0.179 176.921 177.300 -0.335 0.000 1.204 346 P CA -0.046 62.621 63.100 -0.721 0.000 0.768 346 P CB 0.389 31.293 31.700 -1.327 0.000 0.842 347 G N 3.112 111.825 108.800 -0.146 0.000 2.371 347 G HA2 0.527 4.488 3.960 0.002 0.000 0.326 347 G HA3 0.527 4.488 3.960 0.002 0.000 0.326 347 G C -0.852 174.016 174.900 -0.053 0.000 1.127 347 G CA -0.391 44.659 45.100 -0.084 0.000 0.885 347 G HN 0.347 nan 8.290 nan 0.000 0.477 348 I N 2.512 123.060 120.570 -0.037 0.000 2.304 348 I HA 0.206 4.377 4.170 0.002 0.000 0.291 348 I C -0.155 175.964 176.117 0.003 0.000 1.018 348 I CA -1.266 60.026 61.300 -0.014 0.000 1.260 348 I CB 0.699 38.695 38.000 -0.007 0.000 1.390 348 I HN 0.326 nan 8.210 nan 0.000 0.475 349 N N 5.104 123.813 118.700 0.014 0.000 2.424 349 N HA 0.035 4.776 4.740 0.002 0.000 0.257 349 N C 1.033 176.560 175.510 0.029 0.000 1.250 349 N CA -0.338 52.726 53.050 0.023 0.000 0.946 349 N CB 0.931 39.437 38.487 0.032 0.000 1.175 349 N HN 0.491 nan 8.380 nan 0.000 0.477 350 D N -0.215 120.202 120.400 0.029 0.000 2.190 350 D HA -0.216 4.425 4.640 0.002 0.000 0.200 350 D C 0.385 176.712 176.300 0.045 0.000 0.992 350 D CA 1.266 55.286 54.000 0.034 0.000 0.854 350 D CB -0.345 40.472 40.800 0.029 0.000 0.936 350 D HN 0.622 nan 8.370 nan 0.000 0.462 351 D N -0.885 119.544 120.400 0.049 0.000 2.434 351 D HA -0.010 4.631 4.640 0.002 0.000 0.232 351 D C -0.032 176.317 176.300 0.082 0.000 1.166 351 D CA -0.561 53.477 54.000 0.064 0.000 0.830 351 D CB -0.686 40.148 40.800 0.056 0.000 0.960 351 D HN -0.084 nan 8.370 nan 0.000 0.497 352 N N -0.167 118.573 118.700 0.067 0.000 2.708 352 N HA -0.169 4.572 4.740 0.002 0.000 0.251 352 N C -0.469 175.058 175.510 0.028 0.000 1.123 352 N CA 1.452 54.533 53.050 0.052 0.000 0.739 352 N CB -1.706 36.841 38.487 0.099 0.000 1.113 352 N HN 0.692 nan 8.380 nan 0.000 0.561 353 T N -3.619 110.968 114.554 0.054 0.000 2.912 353 T HA 0.699 5.050 4.350 0.002 0.000 0.280 353 T C 0.709 175.440 174.700 0.051 0.000 0.989 353 T CA -0.704 61.442 62.100 0.076 0.000 0.995 353 T CB 1.869 70.802 68.868 0.108 0.000 1.077 353 T HN 0.164 nan 8.240 nan 0.000 0.531 354 c N 1.990 120.637 118.600 0.079 0.000 2.365 354 c HA 0.863 5.434 4.570 0.002 0.000 0.349 354 c C 1.147 175.290 174.090 0.088 0.000 1.191 354 c CA -0.583 55.788 56.329 0.071 0.000 2.114 354 c CB 0.952 43.527 42.510 0.108 0.000 2.367 354 c HN 1.158 nan 8.230 nan 0.000 0.530 355 S N 0.872 116.612 115.700 0.067 0.000 2.801 355 S HA 0.571 5.042 4.470 0.002 0.000 0.312 355 S C -0.064 174.601 174.600 0.109 0.000 1.112 355 S CA -0.394 57.847 58.200 0.068 0.000 0.943 355 S CB 0.590 63.810 63.200 0.033 0.000 1.269 355 S HN 0.782 nan 8.310 nan 0.000 0.558 356 N N -0.100 118.644 118.700 0.074 0.000 2.800 356 N HA -0.135 4.606 4.740 0.002 0.000 0.250 356 N C 0.722 176.248 175.510 0.026 0.000 1.078 356 N CA 1.605 54.700 53.050 0.074 0.000 0.804 356 N CB -1.731 36.814 38.487 0.097 0.000 1.135 356 N HN 1.878 nan 8.380 nan 0.000 0.565 357 G N -1.900 106.901 108.800 0.002 0.000 2.130 357 G HA2 -0.307 3.654 3.960 0.002 0.000 0.216 357 G HA3 -0.307 3.654 3.960 0.002 0.000 0.216 357 G C -0.467 174.278 174.900 -0.260 0.000 0.999 357 G CA 0.178 45.200 45.100 -0.130 0.000 0.686 357 G HN 0.416 nan 8.290 nan 0.000 0.515 358 Y N -0.982 119.343 120.300 0.042 0.000 2.377 358 Y HA 0.516 5.067 4.550 0.002 0.000 0.339 358 Y C 1.488 177.428 175.900 0.067 0.000 1.011 358 Y CA -0.554 57.599 58.100 0.088 0.000 1.093 358 Y CB 2.028 40.519 38.460 0.051 0.000 1.201 358 Y HN -0.066 nan 8.280 nan 0.000 0.455 359 V N 0.083 120.078 119.914 0.136 0.000 2.407 359 V HA -0.204 3.917 4.120 0.002 0.000 0.245 359 V C 0.910 177.053 176.094 0.081 0.000 1.041 359 V CA 0.625 62.925 62.300 0.001 0.000 1.040 359 V CB -0.592 31.012 31.823 -0.365 0.000 0.671 359 V HN 1.100 nan 8.190 nan 0.000 0.455 360 c N 1.213 119.895 118.600 0.137 0.000 3.896 360 c HA -0.156 4.415 4.570 0.002 0.000 0.300 360 c C 1.686 175.597 174.090 -0.297 0.000 1.322 360 c CA 0.502 56.879 56.329 0.080 0.000 2.130 360 c CB -2.541 40.006 42.510 0.062 0.000 1.363 360 c HN 0.676 nan 8.230 nan 0.000 0.642 361 E N 0.466 120.386 120.200 -0.468 0.000 2.160 361 E HA -0.190 4.161 4.350 0.002 0.000 0.195 361 E C 1.971 178.291 176.600 -0.466 0.000 0.991 361 E CA 1.704 57.452 56.400 -1.086 0.000 0.810 361 E CB -0.156 29.112 29.700 -0.720 0.000 0.742 361 E HN 0.973 nan 8.360 nan 0.000 0.466 362 H N -0.110 118.848 119.070 -0.187 0.000 2.521 362 H HA 0.069 4.626 4.556 0.001 0.000 0.286 362 H C 1.264 176.764 175.328 0.287 0.000 1.034 362 H CA 0.945 57.042 56.048 0.082 0.000 1.278 362 H CB -0.051 29.656 29.762 -0.091 0.000 1.386 362 H HN 0.079 nan 8.280 nan 0.000 0.567 363 R N -0.519 119.717 120.500 -0.440 0.000 2.317 363 R HA 0.049 4.390 4.340 0.002 0.000 0.208 363 R C -0.278 176.307 176.300 0.475 0.000 0.914 363 R CA -0.420 55.565 56.100 -0.193 0.000 1.060 363 R CB 0.225 30.151 30.300 -0.624 0.000 1.015 363 R HN 0.119 nan 8.270 nan 0.000 0.498 364 W N 1.618 123.035 121.300 0.196 0.000 2.253 364 W HA 0.170 4.830 4.660 0.002 0.000 0.322 364 W C 1.544 178.019 176.519 -0.074 0.000 1.342 364 W CA -1.245 56.163 57.345 0.106 0.000 1.218 364 W CB 0.127 29.633 29.460 0.076 0.000 1.205 364 W HN 0.060 nan 8.180 nan 0.000 0.551 365 R N 1.645 122.114 120.500 -0.051 0.000 2.103 365 R HA -0.291 4.050 4.340 0.002 0.000 0.242 365 R C 1.616 177.623 176.300 -0.487 0.000 1.142 365 R CA 2.352 58.073 56.100 -0.632 0.000 0.960 365 R CB 0.090 30.255 30.300 -0.226 0.000 0.858 365 R HN 0.480 nan 8.270 nan 0.000 0.439 366 Q N -0.527 119.183 119.800 -0.149 0.000 2.167 366 Q HA -0.076 4.265 4.340 0.002 0.000 0.202 366 Q C 2.010 177.990 176.000 -0.034 0.000 0.970 366 Q CA 1.447 57.202 55.803 -0.081 0.000 0.855 366 Q CB 0.099 28.828 28.738 -0.015 0.000 0.911 366 Q HN 0.187 nan 8.270 nan 0.000 0.438 367 V N -0.157 119.798 119.914 0.067 0.000 2.300 367 V HA -0.200 3.921 4.120 0.002 0.000 0.241 367 V C 1.929 178.115 176.094 0.154 0.000 1.034 367 V CA 1.726 64.106 62.300 0.133 0.000 1.021 367 V CB -0.797 31.166 31.823 0.233 0.000 0.662 367 V HN 0.475 nan 8.190 nan 0.000 0.458 368 Y N 1.734 122.199 120.300 0.274 0.000 2.352 368 Y HA 0.124 4.675 4.550 0.001 0.000 0.292 368 Y C 2.236 178.165 175.900 0.048 0.000 1.136 368 Y CA 1.031 59.248 58.100 0.196 0.000 1.227 368 Y CB -1.504 37.210 38.460 0.424 0.000 0.991 368 Y HN 0.092 nan 8.280 nan 0.000 0.545 369 G N 0.950 109.690 108.800 -0.099 0.000 2.422 369 G HA2 -0.183 3.778 3.960 0.002 0.000 0.218 369 G HA3 -0.183 3.778 3.960 0.002 0.000 0.218 369 G C 1.456 176.392 174.900 0.060 0.000 1.146 369 G CA 1.178 46.281 45.100 0.005 0.000 0.769 369 G HN 0.327 nan 8.290 nan 0.000 0.547 370 M N 0.434 120.032 119.600 -0.004 0.000 2.419 370 M HA 0.107 4.588 4.480 0.002 0.000 0.264 370 M C 2.630 178.930 176.300 -0.001 0.000 1.082 370 M CA 0.396 55.688 55.300 -0.012 0.000 1.119 370 M CB -0.483 32.068 32.600 -0.082 0.000 1.398 370 M HN 0.106 nan 8.290 nan 0.000 0.453 371 V N 0.086 119.950 119.914 -0.083 0.000 2.427 371 V HA -0.140 3.981 4.120 0.002 0.000 0.248 371 V C 2.567 178.547 176.094 -0.191 0.000 1.051 371 V CA 1.975 64.136 62.300 -0.232 0.000 1.048 371 V CB -1.479 29.968 31.823 -0.627 0.000 0.666 371 V HN 0.519 nan 8.190 nan 0.000 0.456 372 G N -0.882 107.849 108.800 -0.116 0.000 2.418 372 G HA2 -0.302 3.659 3.960 0.002 0.000 0.217 372 G HA3 -0.302 3.659 3.960 0.002 0.000 0.217 372 G C 1.552 176.273 174.900 -0.298 0.000 1.158 372 G CA 0.904 45.928 45.100 -0.126 0.000 0.771 372 G HN 0.476 nan 8.290 nan 0.000 0.545 373 F N 1.360 121.057 119.950 -0.423 0.000 2.069 373 F HA -0.052 4.477 4.527 0.003 0.000 0.298 373 F C 2.723 178.328 175.800 -0.325 0.000 1.113 373 F CA 2.007 59.683 58.000 -0.541 0.000 1.214 373 F CB -0.185 38.688 39.000 -0.212 0.000 0.978 373 F HN 0.066 nan 8.300 nan 0.000 0.474 374 R N 0.311 120.861 120.500 0.083 0.000 2.105 374 R HA -0.200 4.141 4.340 0.002 0.000 0.239 374 R C 2.051 178.281 176.300 -0.116 0.000 1.135 374 R CA 1.790 57.905 56.100 0.025 0.000 0.967 374 R CB -0.385 29.935 30.300 0.033 0.000 0.861 374 R HN 0.320 nan 8.270 nan 0.000 0.442 375 N N 0.302 118.901 118.700 -0.168 0.000 2.142 375 N HA -0.122 4.619 4.740 0.002 0.000 0.186 375 N C 1.536 176.939 175.510 -0.179 0.000 1.023 375 N CA 1.457 54.411 53.050 -0.160 0.000 0.852 375 N CB -0.299 38.092 38.487 -0.160 0.000 0.998 375 N HN 0.285 nan 8.380 nan 0.000 0.424 376 A N 0.590 123.241 122.820 -0.282 0.000 2.015 376 A HA -0.068 4.253 4.320 0.002 0.000 0.219 376 A C 1.964 179.402 177.584 -0.242 0.000 1.163 376 A CA 1.503 53.382 52.037 -0.262 0.000 0.646 376 A CB -0.368 18.410 19.000 -0.370 0.000 0.806 376 A HN 0.222 nan 8.150 nan 0.000 0.448 377 V N -2.057 117.671 119.914 -0.310 0.000 3.444 377 V HA 0.270 4.391 4.120 0.002 0.000 0.308 377 V C 0.287 176.318 176.094 -0.106 0.000 1.371 377 V CA 0.167 62.331 62.300 -0.226 0.000 1.141 377 V CB -0.830 30.802 31.823 -0.318 0.000 1.037 377 V HN 0.358 nan 8.190 nan 0.000 0.433 378 E N 2.007 122.153 120.200 -0.091 0.000 2.529 378 E HA 0.354 4.705 4.350 0.002 0.000 0.259 378 E C 1.415 177.998 176.600 -0.029 0.000 0.966 378 E CA 1.541 57.913 56.400 -0.047 0.000 0.937 378 E CB -0.024 29.649 29.700 -0.045 0.000 0.923 378 E HN 0.944 nan 8.360 nan 0.000 0.468 379 G N 2.895 111.688 108.800 -0.013 0.000 2.176 379 G HA2 -0.286 3.675 3.960 0.002 0.000 0.253 379 G HA3 -0.286 3.675 3.960 0.002 0.000 0.253 379 G C 0.440 175.341 174.900 0.001 0.000 0.979 379 G CA 0.633 45.729 45.100 -0.006 0.000 0.641 379 G HN 0.971 nan 8.290 nan 0.000 0.530 380 T N -1.803 112.753 114.554 0.003 0.000 2.897 380 T HA 0.717 5.068 4.350 0.002 0.000 0.278 380 T C 0.016 174.734 174.700 0.030 0.000 0.981 380 T CA 0.257 62.368 62.100 0.019 0.000 0.973 380 T CB 1.900 70.781 68.868 0.021 0.000 1.092 380 T HN 1.005 nan 8.240 nan 0.000 0.543 381 Q N -0.274 119.554 119.800 0.046 0.000 2.445 381 Q HA 0.681 5.022 4.340 0.002 0.000 0.281 381 Q C -1.155 174.898 176.000 0.089 0.000 1.101 381 Q CA -1.266 54.562 55.803 0.041 0.000 0.833 381 Q CB 1.550 30.306 28.738 0.030 0.000 1.416 381 Q HN 0.476 nan 8.270 nan 0.000 0.451 382 V N 1.542 121.494 119.914 0.063 0.000 2.585 382 V HA 0.124 4.245 4.120 0.002 0.000 0.296 382 V C -0.110 176.104 176.094 0.201 0.000 1.035 382 V CA 0.559 62.952 62.300 0.156 0.000 1.084 382 V CB 0.208 32.016 31.823 -0.026 0.000 0.953 382 V HN 0.745 nan 8.190 nan 0.000 0.483 383 E N 2.949 123.335 120.200 0.309 0.000 2.446 383 E HA 0.411 4.762 4.350 0.002 0.000 0.276 383 E C -0.410 176.413 176.600 0.373 0.000 0.969 383 E CA -1.083 55.484 56.400 0.279 0.000 0.800 383 E CB 1.256 31.077 29.700 0.202 0.000 1.341 383 E HN 0.611 nan 8.360 nan 0.000 0.460 384 N N 1.028 119.921 118.700 0.322 0.000 2.727 384 N HA -0.202 4.539 4.740 0.002 0.000 0.249 384 N C -1.024 174.760 175.510 0.457 0.000 1.048 384 N CA 0.700 53.956 53.050 0.343 0.000 0.714 384 N CB -0.711 37.955 38.487 0.298 0.000 0.959 384 N HN 0.516 nan 8.380 nan 0.000 0.544 385 W N 0.518 122.004 121.300 0.310 0.000 2.251 385 W HA 0.268 4.929 4.660 0.001 0.000 0.327 385 W C -0.055 176.687 176.519 0.372 0.000 1.361 385 W CA -0.129 57.418 57.345 0.337 0.000 1.234 385 W CB 0.245 29.823 29.460 0.196 0.000 1.212 385 W HN 0.328 nan 8.180 nan 0.000 0.557 386 W N 6.491 127.547 121.300 -0.407 0.000 3.107 386 W HA 0.479 5.140 4.660 0.001 0.000 0.331 386 W C -1.341 174.941 176.519 -0.395 0.000 1.204 386 W CA -0.447 56.770 57.345 -0.213 0.000 1.184 386 W CB 1.298 30.736 29.460 -0.035 0.000 1.421 386 W HN 0.430 nan 8.180 nan 0.000 0.544 387 S N 2.353 117.200 115.700 -1.422 0.000 2.565 387 S HA 0.263 4.734 4.470 0.002 0.000 0.269 387 S C -0.609 172.987 174.600 -1.673 0.000 1.153 387 S CA -0.715 56.669 58.200 -1.360 0.000 0.835 387 S CB 1.389 64.301 63.200 -0.479 0.000 1.122 387 S HN 0.739 nan 8.310 nan 0.000 0.462 388 N N 0.448 118.478 118.700 -1.117 0.000 2.313 388 N HA 0.113 4.854 4.740 0.002 0.000 0.207 388 N C 0.090 175.434 175.510 -0.276 0.000 1.141 388 N CA 0.735 53.464 53.050 -0.534 0.000 0.830 388 N CB -0.384 38.005 38.487 -0.164 0.000 1.008 388 N HN 0.829 nan 8.380 nan 0.000 0.481 389 D N -1.443 118.785 120.400 -0.286 0.000 3.068 389 D HA -0.198 4.443 4.640 0.002 0.000 0.218 389 D C -0.380 175.857 176.300 -0.106 0.000 1.145 389 D CA 1.635 55.548 54.000 -0.146 0.000 0.896 389 D CB -1.000 39.741 40.800 -0.098 0.000 1.105 389 D HN 0.595 nan 8.370 nan 0.000 0.423 390 D N -1.881 118.445 120.400 -0.124 0.000 3.171 390 D HA 0.277 4.918 4.640 0.002 0.000 0.125 390 D C 0.018 176.261 176.300 -0.096 0.000 1.374 390 D CA -0.250 53.698 54.000 -0.087 0.000 1.496 390 D CB -0.228 40.535 40.800 -0.061 0.000 1.853 390 D HN -0.027 nan 8.370 nan 0.000 0.273 391 N N 0.330 118.983 118.700 -0.077 0.000 2.328 391 N HA 0.222 4.963 4.740 0.002 0.000 0.247 391 N C -1.036 174.455 175.510 -0.032 0.000 1.165 391 N CA 0.142 53.145 53.050 -0.078 0.000 0.873 391 N CB 1.079 39.526 38.487 -0.065 0.000 1.125 391 N HN 0.313 nan 8.380 nan 0.000 0.513 392 Q N 1.036 120.815 119.800 -0.035 0.000 2.310 392 Q HA 0.557 4.898 4.340 0.002 0.000 0.270 392 Q C -0.451 175.546 176.000 -0.006 0.000 1.025 392 Q CA -0.494 55.358 55.803 0.083 0.000 0.772 392 Q CB 2.447 31.316 28.738 0.218 0.000 1.253 392 Q HN 0.291 nan 8.270 nan 0.000 0.450 393 I N -1.422 119.217 120.570 0.114 0.000 2.969 393 I HA 1.026 5.197 4.170 0.002 0.000 0.307 393 I C -1.311 174.910 176.117 0.173 0.000 1.149 393 I CA -1.143 60.139 61.300 -0.030 0.000 1.008 393 I CB 2.386 40.240 38.000 -0.244 0.000 1.232 393 I HN 0.569 nan 8.210 nan 0.000 0.435 394 A N 3.149 125.985 122.820 0.026 0.000 2.604 394 A HA 0.915 5.236 4.320 0.002 0.000 0.295 394 A C -1.368 176.212 177.584 -0.007 0.000 1.067 394 A CA -0.520 51.482 52.037 -0.059 0.000 0.683 394 A CB 1.551 20.572 19.000 0.034 0.000 1.281 394 A HN 1.352 nan 8.150 nan 0.000 0.407 395 F N -0.799 119.015 119.950 -0.226 0.000 2.744 395 F HA 0.772 5.300 4.527 0.001 0.000 0.311 395 F C -0.331 175.531 175.800 0.104 0.000 1.144 395 F CA -0.232 57.815 58.000 0.078 0.000 0.938 395 F CB 0.793 39.964 39.000 0.286 0.000 1.292 395 F HN 0.986 nan 8.300 nan 0.000 0.444 396 S N 1.320 117.298 115.700 0.464 0.000 2.664 396 S HA 0.771 5.242 4.470 0.002 0.000 0.304 396 S C -0.956 173.883 174.600 0.399 0.000 1.099 396 S CA -1.027 57.401 58.200 0.380 0.000 1.003 396 S CB 2.054 65.482 63.200 0.380 0.000 1.092 396 S HN 0.768 nan 8.310 nan 0.000 0.525 397 R N 1.254 121.920 120.500 0.276 0.000 2.272 397 R HA 0.539 4.880 4.340 0.002 0.000 0.323 397 R C 1.217 177.584 176.300 0.111 0.000 1.002 397 R CA 0.523 56.749 56.100 0.211 0.000 0.900 397 R CB 0.046 30.442 30.300 0.159 0.000 1.151 397 R HN 1.237 nan 8.270 nan 0.000 0.507 398 G N 1.977 110.848 108.800 0.118 0.000 2.611 398 G HA2 -0.339 3.622 3.960 0.002 0.000 0.301 398 G HA3 -0.339 3.622 3.960 0.002 0.000 0.301 398 G C 0.199 175.144 174.900 0.075 0.000 1.233 398 G CA 0.437 45.584 45.100 0.078 0.000 0.993 398 G HN 0.462 nan 8.290 nan 0.000 0.553 399 S N 0.402 116.127 115.700 0.043 0.000 2.664 399 S HA 0.333 4.804 4.470 0.002 0.000 0.245 399 S C 1.318 175.929 174.600 0.019 0.000 1.019 399 S CA 0.671 58.891 58.200 0.034 0.000 0.996 399 S CB 0.989 64.207 63.200 0.030 0.000 0.878 399 S HN 0.549 nan 8.310 nan 0.000 0.493 400 Q N 0.740 120.540 119.800 -0.000 0.000 2.378 400 Q HA 0.349 4.690 4.340 0.002 0.000 0.229 400 Q C 0.853 176.803 176.000 -0.084 0.000 0.882 400 Q CA 0.010 55.794 55.803 -0.032 0.000 0.936 400 Q CB 1.093 29.792 28.738 -0.065 0.000 1.092 400 Q HN 0.447 nan 8.270 nan 0.000 0.535 401 G N 0.004 108.745 108.800 -0.099 0.000 2.720 401 G HA2 0.520 4.481 3.960 0.002 0.000 0.295 401 G HA3 0.520 4.481 3.960 0.002 0.000 0.295 401 G C -2.226 172.797 174.900 0.205 0.000 1.437 401 G CA -0.497 44.529 45.100 -0.124 0.000 0.886 401 G HN 0.033 nan 8.290 nan 0.000 0.509 402 F N 1.126 121.172 119.950 0.161 0.000 2.578 402 F HA 0.786 5.313 4.527 0.001 0.000 0.311 402 F C -1.229 174.554 175.800 -0.028 0.000 1.094 402 F CA -0.988 57.031 58.000 0.031 0.000 0.923 402 F CB 2.386 41.324 39.000 -0.102 0.000 1.230 402 F HN 0.575 nan 8.300 nan 0.000 0.450 403 V N 4.620 123.904 119.914 -1.050 0.000 2.888 403 V HA 0.946 5.067 4.120 0.002 0.000 0.309 403 V C -1.641 173.761 176.094 -1.154 0.000 1.114 403 V CA -0.144 61.552 62.300 -1.007 0.000 0.940 403 V CB 1.757 33.001 31.823 -0.965 0.000 1.021 403 V HN 1.261 nan 8.190 nan 0.000 0.426 404 A N 5.402 127.720 122.820 -0.837 0.000 2.414 404 A HA 0.976 5.297 4.320 0.002 0.000 0.306 404 A C -1.632 175.679 177.584 -0.456 0.000 1.054 404 A CA -0.420 51.336 52.037 -0.469 0.000 0.724 404 A CB 1.436 20.282 19.000 -0.257 0.000 1.267 404 A HN 0.769 nan 8.150 nan 0.000 0.418 405 F N -0.174 119.747 119.950 -0.047 0.000 2.588 405 F HA 0.807 5.334 4.527 0.001 0.000 0.314 405 F C 0.428 176.260 175.800 0.053 0.000 1.069 405 F CA -0.409 57.609 58.000 0.029 0.000 0.931 405 F CB 2.836 41.907 39.000 0.117 0.000 1.260 405 F HN 0.496 nan 8.300 nan 0.000 0.465 406 T N 0.784 115.491 114.554 0.254 0.000 3.071 406 T HA 0.318 4.669 4.350 0.002 0.000 0.311 406 T C -1.080 173.701 174.700 0.135 0.000 1.042 406 T CA -0.458 61.737 62.100 0.159 0.000 1.028 406 T CB 0.677 69.612 68.868 0.111 0.000 1.068 406 T HN 0.613 nan 8.240 nan 0.000 0.451 407 N N 2.858 121.608 118.700 0.083 0.000 2.433 407 N HA 0.450 5.191 4.740 0.002 0.000 0.270 407 N C -0.327 175.195 175.510 0.021 0.000 1.354 407 N CA 0.087 53.170 53.050 0.055 0.000 0.889 407 N CB 0.860 39.353 38.487 0.010 0.000 1.285 407 N HN 0.958 nan 8.380 nan 0.000 0.503 408 G N -0.711 108.107 108.800 0.030 0.000 1.824 408 G HA2 0.499 4.460 3.960 0.002 0.000 0.294 408 G HA3 0.499 4.460 3.960 0.002 0.000 0.294 408 G C -0.164 174.754 174.900 0.031 0.000 1.796 408 G CA 0.039 45.150 45.100 0.019 0.000 0.919 408 G HN 0.449 nan 8.290 nan 0.000 0.595 409 G N 1.559 110.377 108.800 0.030 0.000 2.781 409 G HA2 0.143 4.104 3.960 0.002 0.000 0.683 409 G HA3 0.143 4.104 3.960 0.002 0.000 0.683 409 G C -0.514 174.412 174.900 0.044 0.000 1.390 409 G CA -0.125 44.996 45.100 0.035 0.000 0.850 409 G HN 0.907 nan 8.290 nan 0.000 0.557 410 D N -0.452 119.972 120.400 0.040 0.000 2.304 410 D HA 0.474 5.115 4.640 0.002 0.000 0.250 410 D C 0.640 176.972 176.300 0.053 0.000 1.107 410 D CA -0.220 53.802 54.000 0.037 0.000 0.885 410 D CB 1.540 42.355 40.800 0.024 0.000 1.192 410 D HN 0.512 nan 8.370 nan 0.000 0.436 411 L N 2.872 124.125 121.223 0.050 0.000 2.255 411 L HA 0.400 4.741 4.340 0.002 0.000 0.289 411 L C -0.942 175.932 176.870 0.008 0.000 1.046 411 L CA -0.431 54.444 54.840 0.059 0.000 0.816 411 L CB 0.161 42.262 42.059 0.070 0.000 1.197 411 L HN 0.436 nan 8.230 nan 0.000 0.427 412 N N 4.261 122.960 118.700 -0.002 0.000 2.607 412 N HA 0.358 5.099 4.740 0.002 0.000 0.271 412 N C -1.592 173.879 175.510 -0.064 0.000 1.142 412 N CA -0.633 52.398 53.050 -0.033 0.000 0.810 412 N CB 1.272 39.751 38.487 -0.012 0.000 1.306 412 N HN 0.475 nan 8.380 nan 0.000 0.536 413 Q N 0.820 120.536 119.800 -0.141 0.000 2.377 413 Q HA 0.297 4.638 4.340 0.002 0.000 0.279 413 Q C -1.317 174.547 176.000 -0.228 0.000 1.049 413 Q CA -0.631 55.042 55.803 -0.216 0.000 0.825 413 Q CB 2.416 30.877 28.738 -0.462 0.000 1.401 413 Q HN 0.436 nan 8.270 nan 0.000 0.404 414 N N 2.841 121.423 118.700 -0.197 0.000 2.500 414 N HA 0.318 5.059 4.740 0.002 0.000 0.236 414 N C -1.014 174.351 175.510 -0.241 0.000 1.022 414 N CA 0.105 53.046 53.050 -0.182 0.000 0.935 414 N CB 0.389 38.805 38.487 -0.118 0.000 1.147 414 N HN 0.438 nan 8.380 nan 0.000 0.512 415 L N 1.786 122.825 121.223 -0.306 0.000 2.332 415 L HA 0.373 4.714 4.340 0.002 0.000 0.269 415 L C 0.528 177.212 176.870 -0.309 0.000 1.016 415 L CA -1.121 53.516 54.840 -0.338 0.000 0.809 415 L CB 1.080 42.908 42.059 -0.384 0.000 1.280 415 L HN 0.411 nan 8.230 nan 0.000 0.447 416 N N -0.020 118.549 118.700 -0.219 0.000 2.437 416 N HA 0.072 4.813 4.740 0.002 0.000 0.243 416 N C 0.697 176.030 175.510 -0.294 0.000 1.041 416 N CA -0.135 52.801 53.050 -0.190 0.000 0.940 416 N CB 1.123 39.578 38.487 -0.054 0.000 1.133 416 N HN 0.699 nan 8.380 nan 0.000 0.506 417 T N 0.468 114.706 114.554 -0.525 0.000 3.043 417 T HA 0.140 4.491 4.350 0.002 0.000 0.263 417 T C 1.376 175.944 174.700 -0.220 0.000 1.094 417 T CA 0.671 62.310 62.100 -0.768 0.000 1.127 417 T CB -0.375 67.920 68.868 -0.955 0.000 0.905 417 T HN 0.604 nan 8.240 nan 0.000 0.490 418 G N 1.161 109.878 108.800 -0.138 0.000 2.184 418 G HA2 -0.217 3.744 3.960 0.002 0.000 0.264 418 G HA3 -0.217 3.744 3.960 0.002 0.000 0.264 418 G C -0.041 174.832 174.900 -0.045 0.000 0.975 418 G CA 0.394 45.473 45.100 -0.034 0.000 0.642 418 G HN 0.643 nan 8.290 nan 0.000 0.536 419 L N 0.648 121.799 121.223 -0.119 0.000 2.379 419 L HA 0.497 4.838 4.340 0.002 0.000 0.269 419 L C -1.743 175.117 176.870 -0.016 0.000 1.084 419 L CA -2.347 52.434 54.840 -0.099 0.000 0.802 419 L CB 1.155 43.024 42.059 -0.317 0.000 1.175 419 L HN -0.130 nan 8.230 nan 0.000 0.448 420 P HA 0.077 nan 4.420 nan 0.000 0.272 420 P C -0.772 176.617 177.300 0.148 0.000 1.230 420 P CA -0.327 62.831 63.100 0.095 0.000 0.788 420 P CB 0.578 32.339 31.700 0.101 0.000 0.949 421 A N 1.694 124.562 122.820 0.079 0.000 2.520 421 A HA 0.514 4.835 4.320 0.002 0.000 0.235 421 A C 0.789 178.422 177.584 0.082 0.000 1.065 421 A CA 1.211 53.292 52.037 0.074 0.000 0.764 421 A CB -0.988 18.025 19.000 0.023 0.000 1.002 421 A HN 0.763 nan 8.150 nan 0.000 0.502 422 G N -0.407 108.443 108.800 0.083 0.000 2.359 422 G HA2 0.448 4.409 3.960 0.002 0.000 0.293 422 G HA3 0.448 4.409 3.960 0.002 0.000 0.293 422 G C -0.802 174.087 174.900 -0.019 0.000 1.300 422 G CA -0.181 44.890 45.100 -0.049 0.000 0.888 422 G HN 1.020 nan 8.290 nan 0.000 0.541 423 T N 0.964 115.419 114.554 -0.164 0.000 2.770 423 T HA 0.644 4.995 4.350 0.002 0.000 0.283 423 T C -1.214 173.371 174.700 -0.191 0.000 0.988 423 T CA 0.007 62.068 62.100 -0.065 0.000 0.957 423 T CB 0.787 69.619 68.868 -0.059 0.000 0.930 423 T HN 0.391 nan 8.240 nan 0.000 0.443 424 Y N 0.634 120.900 120.300 -0.058 0.000 2.409 424 Y HA 0.452 5.003 4.550 0.001 0.000 0.339 424 Y C 0.465 176.327 175.900 -0.064 0.000 1.033 424 Y CA -1.175 56.883 58.100 -0.069 0.000 1.094 424 Y CB 0.992 39.413 38.460 -0.064 0.000 1.210 424 Y HN 0.568 nan 8.280 nan 0.000 0.456 425 c N 2.239 120.872 118.600 0.055 0.000 2.347 425 c HA 0.185 4.756 4.570 0.002 0.000 0.353 425 c C 0.240 174.345 174.090 0.025 0.000 1.273 425 c CA -0.845 55.495 56.329 0.018 0.000 1.861 425 c CB -0.324 42.177 42.510 -0.015 0.000 2.420 425 c HN 0.756 nan 8.230 nan 0.000 0.542 426 D N 1.815 122.227 120.400 0.019 0.000 2.358 426 D HA 0.113 4.754 4.640 0.002 0.000 0.258 426 D C 1.102 177.402 176.300 0.001 0.000 1.223 426 D CA -0.203 53.801 54.000 0.007 0.000 0.886 426 D CB 0.973 41.763 40.800 -0.016 0.000 1.120 426 D HN 0.456 nan 8.370 nan 0.000 0.482 427 V N 2.801 122.728 119.914 0.021 0.000 3.510 427 V HA -0.044 4.077 4.120 0.002 0.000 0.270 427 V C 1.604 177.678 176.094 -0.033 0.000 1.201 427 V CA 0.500 62.819 62.300 0.032 0.000 1.166 427 V CB -0.639 31.270 31.823 0.144 0.000 0.825 427 V HN 0.531 nan 8.190 nan 0.000 0.484 428 I N 2.092 122.624 120.570 -0.064 0.000 2.429 428 I HA -0.024 4.147 4.170 0.002 0.000 0.247 428 I C 2.645 178.713 176.117 -0.081 0.000 1.099 428 I CA 1.899 63.141 61.300 -0.097 0.000 1.422 428 I CB -0.844 37.078 38.000 -0.130 0.000 1.112 428 I HN 0.602 nan 8.210 nan 0.000 0.430 429 S N -0.385 115.278 115.700 -0.062 0.000 2.528 429 S HA 0.344 4.815 4.470 0.002 0.000 0.219 429 S C 0.966 175.548 174.600 -0.031 0.000 0.985 429 S CA 0.346 58.517 58.200 -0.049 0.000 0.914 429 S CB 0.329 63.504 63.200 -0.043 0.000 0.776 429 S HN 0.444 nan 8.310 nan 0.000 0.526 430 G N 0.484 109.271 108.800 -0.022 0.000 2.510 430 G HA2 0.563 4.524 3.960 0.002 0.000 0.277 430 G HA3 0.563 4.524 3.960 0.002 0.000 0.277 430 G C -2.019 172.892 174.900 0.019 0.000 1.223 430 G CA -0.321 44.780 45.100 0.002 0.000 0.887 430 G HN 0.494 nan 8.290 nan 0.000 0.485 431 E N -1.548 118.674 120.200 0.035 0.000 2.422 431 E HA 0.460 4.811 4.350 0.002 0.000 0.280 431 E C -1.730 174.891 176.600 0.034 0.000 1.091 431 E CA -1.021 55.410 56.400 0.051 0.000 0.849 431 E CB 1.690 31.455 29.700 0.108 0.000 1.353 431 E HN 0.730 nan 8.360 nan 0.000 0.449 432 L N 1.878 123.115 121.223 0.024 0.000 2.433 432 L HA 0.442 4.783 4.340 0.002 0.000 0.275 432 L C -0.754 176.126 176.870 0.017 0.000 1.128 432 L CA 0.804 55.646 54.840 0.004 0.000 0.875 432 L CB 0.597 42.645 42.059 -0.018 0.000 1.171 432 L HN 0.619 nan 8.230 nan 0.000 0.463 433 S N 3.253 118.960 115.700 0.011 0.000 2.546 433 S HA 0.608 5.079 4.470 0.002 0.000 0.272 433 S C 0.542 175.145 174.600 0.006 0.000 1.140 433 S CA -0.100 58.110 58.200 0.016 0.000 0.920 433 S CB 1.180 64.398 63.200 0.029 0.000 1.083 433 S HN 1.545 nan 8.310 nan 0.000 0.476 434 G N 2.365 111.167 108.800 0.004 0.000 2.269 434 G HA2 -0.032 3.929 3.960 0.002 0.000 0.277 434 G HA3 -0.032 3.929 3.960 0.002 0.000 0.277 434 G C 1.394 176.289 174.900 -0.008 0.000 1.008 434 G CA 1.114 46.213 45.100 -0.001 0.000 0.774 434 G HN 2.315 nan 8.290 nan 0.000 0.511 435 G N -2.365 106.427 108.800 -0.013 0.000 2.176 435 G HA2 0.147 4.108 3.960 0.002 0.000 0.253 435 G HA3 0.147 4.108 3.960 0.002 0.000 0.253 435 G C 0.526 175.410 174.900 -0.026 0.000 0.979 435 G CA 1.341 46.428 45.100 -0.022 0.000 0.641 435 G HN 2.483 nan 8.290 nan 0.000 0.530 436 S N -1.699 113.989 115.700 -0.019 0.000 2.661 436 S HA 0.711 5.182 4.470 0.002 0.000 0.285 436 S C -0.152 174.440 174.600 -0.014 0.000 1.138 436 S CA -0.405 57.784 58.200 -0.019 0.000 0.855 436 S CB 2.121 65.314 63.200 -0.013 0.000 1.136 436 S HN 0.871 nan 8.310 nan 0.000 0.484 437 c N 2.273 120.865 118.600 -0.014 0.000 2.347 437 c HA 0.533 5.104 4.570 0.002 0.000 0.353 437 c C 2.319 176.409 174.090 -0.001 0.000 1.273 437 c CA 0.030 56.355 56.329 -0.007 0.000 1.861 437 c CB 0.036 42.541 42.510 -0.008 0.000 2.420 437 c HN 1.078 nan 8.230 nan 0.000 0.542 438 T N 0.477 115.036 114.554 0.007 0.000 2.995 438 T HA 0.119 4.470 4.350 0.002 0.000 0.269 438 T C 1.029 175.731 174.700 0.004 0.000 1.091 438 T CA 1.079 63.185 62.100 0.010 0.000 1.128 438 T CB 0.067 68.948 68.868 0.023 0.000 0.891 438 T HN 0.821 nan 8.240 nan 0.000 0.492 439 G N 0.671 109.471 108.800 0.001 0.000 3.247 439 G HA2 0.541 4.502 3.960 0.002 0.000 0.163 439 G HA3 0.541 4.502 3.960 0.002 0.000 0.163 439 G C -0.873 174.022 174.900 -0.009 0.000 1.206 439 G CA -1.055 44.041 45.100 -0.007 0.000 0.918 439 G HN 0.313 nan 8.290 nan 0.000 0.625 440 K N 0.235 120.628 120.400 -0.013 0.000 2.168 440 K HA 0.469 4.790 4.320 0.002 0.000 0.258 440 K C -0.335 176.263 176.600 -0.003 0.000 1.010 440 K CA 0.069 56.349 56.287 -0.012 0.000 0.929 440 K CB 1.198 33.687 32.500 -0.018 0.000 0.998 440 K HN 0.537 nan 8.250 nan 0.000 0.479 441 S N -0.508 115.193 115.700 0.001 0.000 2.570 441 S HA 0.566 5.037 4.470 0.002 0.000 0.286 441 S C -0.748 173.864 174.600 0.019 0.000 1.099 441 S CA -0.991 57.218 58.200 0.015 0.000 0.913 441 S CB 1.705 64.909 63.200 0.006 0.000 1.085 441 S HN 0.220 nan 8.310 nan 0.000 0.480 442 V N 1.765 121.709 119.914 0.050 0.000 2.531 442 V HA 0.531 4.652 4.120 0.002 0.000 0.301 442 V C -0.350 175.789 176.094 0.074 0.000 1.034 442 V CA -0.519 61.801 62.300 0.034 0.000 0.865 442 V CB 1.989 33.815 31.823 0.005 0.000 0.995 442 V HN 1.050 nan 8.190 nan 0.000 0.424 443 T N 4.477 119.047 114.554 0.026 0.000 2.733 443 T HA 0.472 4.823 4.350 0.002 0.000 0.294 443 T C -0.156 174.550 174.700 0.011 0.000 0.956 443 T CA -0.250 61.871 62.100 0.036 0.000 0.987 443 T CB 1.186 70.056 68.868 0.003 0.000 0.920 443 T HN 0.346 nan 8.240 nan 0.000 0.470 444 V N 3.594 123.545 119.914 0.062 0.000 2.439 444 V HA 0.593 4.713 4.120 0.002 0.000 0.282 444 V C 1.114 177.209 176.094 0.002 0.000 1.039 444 V CA -0.626 61.671 62.300 -0.006 0.000 0.913 444 V CB 1.440 33.266 31.823 0.004 0.000 0.983 444 V HN 1.006 nan 8.190 nan 0.000 0.460 445 G N 2.132 110.909 108.800 -0.038 0.000 2.621 445 G HA2 0.156 4.117 3.960 0.002 0.000 0.271 445 G HA3 0.156 4.117 3.960 0.002 0.000 0.271 445 G C 0.618 175.506 174.900 -0.020 0.000 1.236 445 G CA 0.001 45.084 45.100 -0.028 0.000 0.958 445 G HN 0.781 nan 8.290 nan 0.000 0.512 446 D N -0.609 119.781 120.400 -0.017 0.000 2.221 446 D HA -0.158 4.483 4.640 0.002 0.000 0.204 446 D C 1.982 178.273 176.300 -0.015 0.000 0.982 446 D CA 1.540 55.533 54.000 -0.011 0.000 0.857 446 D CB 0.114 40.908 40.800 -0.011 0.000 0.934 446 D HN 0.383 nan 8.370 nan 0.000 0.475 447 N N -0.949 117.737 118.700 -0.025 0.000 2.336 447 N HA 0.098 4.839 4.740 0.002 0.000 0.189 447 N C 1.440 176.925 175.510 -0.043 0.000 1.113 447 N CA 0.913 53.947 53.050 -0.027 0.000 0.858 447 N CB 0.197 38.667 38.487 -0.028 0.000 0.970 447 N HN 0.195 nan 8.380 nan 0.000 0.471 448 G N -0.974 107.792 108.800 -0.057 0.000 2.176 448 G HA2 -0.276 3.685 3.960 0.002 0.000 0.253 448 G HA3 -0.276 3.685 3.960 0.002 0.000 0.253 448 G C -0.037 174.768 174.900 -0.158 0.000 0.979 448 G CA 0.328 45.371 45.100 -0.095 0.000 0.641 448 G HN 0.578 nan 8.290 nan 0.000 0.530 449 S N 0.137 115.758 115.700 -0.131 0.000 2.601 449 S HA 0.847 5.318 4.470 0.002 0.000 0.271 449 S C 0.340 174.832 174.600 -0.179 0.000 1.305 449 S CA 0.914 59.016 58.200 -0.163 0.000 1.022 449 S CB 1.237 64.370 63.200 -0.111 0.000 0.940 449 S HN 1.901 nan 8.310 nan 0.000 0.525 450 A N 2.792 125.478 122.820 -0.222 0.000 2.605 450 A HA 0.463 4.784 4.320 0.002 0.000 0.294 450 A C -1.614 175.859 177.584 -0.186 0.000 1.062 450 A CA -0.782 51.136 52.037 -0.197 0.000 0.682 450 A CB 1.029 19.882 19.000 -0.244 0.000 1.278 450 A HN 0.725 nan 8.150 nan 0.000 0.410 451 D N 2.190 122.512 120.400 -0.130 0.000 2.336 451 D HA 0.318 4.959 4.640 0.002 0.000 0.249 451 D C -0.369 175.868 176.300 -0.105 0.000 1.213 451 D CA 0.260 54.193 54.000 -0.112 0.000 0.870 451 D CB 0.732 41.486 40.800 -0.076 0.000 1.076 451 D HN 0.285 nan 8.370 nan 0.000 0.483 452 I N 1.812 122.311 120.570 -0.118 0.000 2.331 452 I HA 0.124 4.295 4.170 0.002 0.000 0.292 452 I C 0.597 176.674 176.117 -0.066 0.000 0.998 452 I CA -0.300 60.953 61.300 -0.078 0.000 1.267 452 I CB 1.120 39.088 38.000 -0.054 0.000 1.386 452 I HN 0.114 nan 8.210 nan 0.000 0.476 453 S N 7.055 122.728 115.700 -0.044 0.000 2.532 453 S HA 0.773 5.244 4.470 0.002 0.000 0.299 453 S C -1.158 173.425 174.600 -0.028 0.000 1.105 453 S CA -0.445 57.734 58.200 -0.034 0.000 1.018 453 S CB 1.062 64.244 63.200 -0.030 0.000 1.021 453 S HN 0.452 nan 8.310 nan 0.000 0.483 454 L N 5.000 126.212 121.223 -0.019 0.000 2.666 454 L HA 0.602 4.943 4.340 0.002 0.000 0.258 454 L C 0.042 176.912 176.870 -0.001 0.000 0.991 454 L CA 0.123 54.953 54.840 -0.017 0.000 0.916 454 L CB 1.040 43.085 42.059 -0.024 0.000 1.199 454 L HN 0.768 nan 8.230 nan 0.000 0.439 455 G N 1.427 110.225 108.800 -0.003 0.000 2.483 455 G HA2 0.365 4.326 3.960 0.002 0.000 0.248 455 G HA3 0.365 4.326 3.960 0.002 0.000 0.248 455 G C 0.813 175.719 174.900 0.009 0.000 1.248 455 G CA 0.163 45.266 45.100 0.004 0.000 0.838 455 G HN 0.875 nan 8.290 nan 0.000 0.566 456 S N 0.536 116.246 115.700 0.017 0.000 2.555 456 S HA 0.094 4.565 4.470 0.002 0.000 0.230 456 S C 1.826 176.434 174.600 0.014 0.000 0.978 456 S CA 0.832 59.044 58.200 0.021 0.000 0.934 456 S CB 0.245 63.459 63.200 0.025 0.000 0.766 456 S HN 0.904 nan 8.310 nan 0.000 0.533 457 A N 0.645 123.469 122.820 0.007 0.000 2.348 457 A HA 0.320 4.641 4.320 0.002 0.000 0.224 457 A C 0.707 178.289 177.584 -0.004 0.000 1.227 457 A CA -0.427 51.611 52.037 0.002 0.000 0.885 457 A CB 0.005 19.005 19.000 0.000 0.000 0.933 457 A HN 0.549 nan 8.150 nan 0.000 0.506 458 E N 0.022 120.218 120.200 -0.007 0.000 2.392 458 E HA 0.056 4.407 4.350 0.002 0.000 0.256 458 E C -0.243 176.346 176.600 -0.019 0.000 1.145 458 E CA -0.240 56.151 56.400 -0.016 0.000 0.929 458 E CB 0.381 30.069 29.700 -0.021 0.000 0.998 458 E HN 0.190 nan 8.360 nan 0.000 0.442 459 D N 0.335 120.717 120.400 -0.029 0.000 2.218 459 D HA -0.067 4.574 4.640 0.002 0.000 0.204 459 D C -0.406 175.872 176.300 -0.038 0.000 0.976 459 D CA 1.304 55.281 54.000 -0.038 0.000 0.853 459 D CB 0.230 40.998 40.800 -0.054 0.000 0.939 459 D HN 0.239 nan 8.370 nan 0.000 0.481 460 D N -1.998 118.379 120.400 -0.038 0.000 2.527 460 D HA 0.401 5.042 4.640 0.002 0.000 0.233 460 D C 0.441 176.727 176.300 -0.024 0.000 1.063 460 D CA -0.497 53.481 54.000 -0.037 0.000 0.880 460 D CB 1.983 42.744 40.800 -0.065 0.000 1.457 460 D HN 0.010 nan 8.370 nan 0.000 0.475 461 G N -0.084 108.716 108.800 0.000 0.000 3.707 461 G HA2 0.364 4.325 3.960 0.002 0.000 0.286 461 G HA3 0.364 4.325 3.960 0.002 0.000 0.286 461 G C -0.297 174.600 174.900 -0.006 0.000 1.112 461 G CA -0.081 45.040 45.100 0.034 0.000 0.861 461 G HN 0.258 nan 8.290 nan 0.000 0.534 462 V N 0.044 119.876 119.914 -0.137 0.000 2.971 462 V HA 0.817 4.938 4.120 0.002 0.000 0.309 462 V C -1.694 174.196 176.094 -0.339 0.000 1.130 462 V CA -1.074 60.992 62.300 -0.389 0.000 0.964 462 V CB 2.451 33.947 31.823 -0.545 0.000 1.029 462 V HN 0.151 nan 8.190 nan 0.000 0.427 463 L N 5.822 126.790 121.223 -0.425 0.000 2.410 463 L HA 1.008 5.349 4.340 0.002 0.000 0.270 463 L C -0.631 176.029 176.870 -0.349 0.000 0.983 463 L CA -0.090 54.582 54.840 -0.279 0.000 0.822 463 L CB 1.794 43.751 42.059 -0.169 0.000 1.285 463 L HN 0.982 nan 8.230 nan 0.000 0.409 464 A N 6.251 128.935 122.820 -0.228 0.000 2.427 464 A HA 0.821 5.142 4.320 0.002 0.000 0.298 464 A C -1.156 176.475 177.584 0.079 0.000 1.036 464 A CA -0.530 51.398 52.037 -0.182 0.000 0.701 464 A CB 1.338 20.105 19.000 -0.387 0.000 1.250 464 A HN 0.809 nan 8.150 nan 0.000 0.412 465 I N -0.102 120.607 120.570 0.231 0.000 2.865 465 I HA 0.938 5.109 4.170 0.002 0.000 0.302 465 I C -0.746 175.548 176.117 0.294 0.000 1.140 465 I CA -0.971 60.448 61.300 0.197 0.000 1.021 465 I CB 2.440 40.467 38.000 0.045 0.000 1.233 465 I HN 0.970 nan 8.210 nan 0.000 0.427 466 H N 1.333 120.515 119.070 0.186 0.000 3.014 466 H HA 0.441 4.998 4.556 0.001 0.000 0.337 466 H C 0.313 175.777 175.328 0.228 0.000 1.320 466 H CA -0.560 55.523 56.048 0.058 0.000 1.128 466 H CB 1.132 30.784 29.762 -0.184 0.000 1.862 466 H HN 0.427 nan 8.280 nan 0.000 0.536 467 V N -1.116 118.964 119.914 0.277 0.000 2.828 467 V HA -0.180 3.941 4.120 0.002 0.000 0.260 467 V C 0.637 176.791 176.094 0.100 0.000 1.101 467 V CA 2.070 64.505 62.300 0.225 0.000 1.123 467 V CB -0.964 30.947 31.823 0.147 0.000 0.704 467 V HN 0.782 nan 8.190 nan 0.000 0.493 468 N N 0.846 119.664 118.700 0.196 0.000 2.322 468 N HA 0.491 5.232 4.740 0.002 0.000 0.194 468 N C 0.751 176.240 175.510 -0.035 0.000 1.126 468 N CA 0.523 53.648 53.050 0.124 0.000 0.845 468 N CB 0.301 38.937 38.487 0.247 0.000 0.976 468 N HN 0.609 nan 8.380 nan 0.000 0.475 469 A N 0.890 123.553 122.820 -0.262 0.000 2.959 469 A HA 0.189 4.510 4.320 0.002 0.000 0.280 469 A C -0.179 177.289 177.584 -0.193 0.000 0.953 469 A CA -0.393 51.498 52.037 -0.244 0.000 1.047 469 A CB 0.138 18.901 19.000 -0.395 0.000 1.147 469 A HN 0.038 nan 8.150 nan 0.000 0.489 470 K N 0.760 121.020 120.400 -0.232 0.000 2.207 470 K HA 0.744 5.065 4.320 0.002 0.000 0.255 470 K C -0.613 175.821 176.600 -0.277 0.000 0.941 470 K CA -0.595 55.437 56.287 -0.425 0.000 0.825 470 K CB 1.041 33.186 32.500 -0.592 0.000 1.119 470 K HN 0.420 nan 8.250 nan 0.000 0.430 471 L N 0.000 121.058 121.223 -0.276 0.000 2.949 471 L HA 0.000 4.341 4.340 0.002 0.000 0.249 471 L CA 0.000 54.738 54.840 -0.170 0.000 0.813 471 L CB 0.000 41.981 42.059 -0.130 0.000 0.961 471 L HN 0.000 nan 8.230 nan 0.000 0.502