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 1jae_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 0.000 176.731 176.600 0.219 0.000 0.988 2 K CA 0.000 56.443 56.287 0.261 0.000 0.838 2 K CB 0.000 32.568 32.500 0.113 0.000 1.064 3 D N 1.045 121.505 120.400 0.101 0.000 2.280 3 D HA 0.348 4.983 4.640 -0.008 0.000 0.236 3 D C 0.811 176.794 176.300 -0.528 0.000 1.082 3 D CA -0.117 53.770 54.000 -0.188 0.000 0.834 3 D CB 1.773 42.514 40.800 -0.098 0.000 1.100 3 D HN 0.183 nan 8.370 nan 0.000 0.486 4 A N 4.250 126.346 122.820 -1.208 0.000 2.125 4 A HA -0.144 4.171 4.320 -0.008 0.000 0.219 4 A C 0.980 178.126 177.584 -0.730 0.000 1.156 4 A CA 0.616 51.594 52.037 -1.765 0.000 0.671 4 A CB -0.341 17.188 19.000 -2.451 0.000 0.794 4 A HN 0.804 nan 8.150 nan 0.000 0.459 5 N N -2.015 116.433 118.700 -0.419 0.000 2.776 5 N HA -0.142 4.594 4.740 -0.008 0.000 0.250 5 N C -0.672 174.904 175.510 0.111 0.000 1.112 5 N CA 0.957 53.981 53.050 -0.043 0.000 0.733 5 N CB -1.940 36.615 38.487 0.113 0.000 1.097 5 N HN 0.371 nan 8.380 nan 0.000 0.558 6 F N 1.039 120.993 119.950 0.006 0.000 2.539 6 F HA 0.361 4.883 4.527 -0.008 0.000 0.340 6 F C 1.711 177.505 175.800 -0.010 0.000 1.185 6 F CA -0.676 57.327 58.000 0.005 0.000 1.333 6 F CB 0.104 39.081 39.000 -0.038 0.000 1.152 6 F HN 0.111 nan 8.300 nan 0.000 0.602 7 A N 1.286 124.214 122.820 0.180 0.000 2.332 7 A HA 0.425 4.740 4.320 -0.008 0.000 0.258 7 A C 0.238 177.855 177.584 0.054 0.000 1.087 7 A CA -0.509 51.564 52.037 0.059 0.000 0.802 7 A CB -0.096 18.900 19.000 -0.006 0.000 1.042 7 A HN 0.672 nan 8.150 nan 0.000 0.489 8 S N -0.296 115.418 115.700 0.023 0.000 2.558 8 S HA 0.398 4.864 4.470 -0.008 0.000 0.288 8 S C 1.335 175.926 174.600 -0.015 0.000 1.318 8 S CA 1.017 59.223 58.200 0.010 0.000 1.056 8 S CB 0.404 63.603 63.200 -0.001 0.000 0.853 8 S HN 2.211 nan 8.310 nan 0.000 0.505 9 G N 2.286 111.072 108.800 -0.023 0.000 2.160 9 G HA2 -0.207 3.748 3.960 -0.008 0.000 0.251 9 G HA3 -0.207 3.748 3.960 -0.008 0.000 0.251 9 G C -0.071 174.774 174.900 -0.093 0.000 1.008 9 G CA -0.145 44.923 45.100 -0.054 0.000 0.724 9 G HN 0.536 nan 8.290 nan 0.000 0.514 10 R N -0.196 120.240 120.500 -0.107 0.000 2.854 10 R HA 0.737 5.072 4.340 -0.008 0.000 0.271 10 R C 0.037 176.130 176.300 -0.346 0.000 0.994 10 R CA -0.313 55.651 56.100 -0.226 0.000 0.945 10 R CB 1.615 31.766 30.300 -0.249 0.000 1.194 10 R HN 0.678 nan 8.270 nan 0.000 0.476 11 N N -2.333 116.060 118.700 -0.511 0.000 2.710 11 N HA 0.437 5.172 4.740 -0.008 0.000 0.257 11 N C -1.627 173.545 175.510 -0.564 0.000 1.327 11 N CA -0.656 52.064 53.050 -0.551 0.000 0.861 11 N CB 1.629 39.990 38.487 -0.210 0.000 1.532 11 N HN 0.508 nan 8.380 nan 0.000 0.499 12 S N -0.942 114.527 115.700 -0.385 0.000 3.294 12 S HA -0.084 4.382 4.470 -0.008 0.000 0.853 12 S C -0.955 173.628 174.600 -0.029 0.000 1.111 12 S CA -0.041 58.098 58.200 -0.101 0.000 1.104 12 S CB -0.878 62.307 63.200 -0.024 0.000 0.765 12 S HN 0.642 nan 8.310 nan 0.000 0.265 13 I N 2.362 122.996 120.570 0.106 0.000 2.404 13 I HA 0.522 4.688 4.170 -0.008 0.000 0.293 13 I C -0.123 176.070 176.117 0.126 0.000 0.992 13 I CA -0.901 60.485 61.300 0.144 0.000 1.149 13 I CB 1.794 39.820 38.000 0.044 0.000 1.315 13 I HN 0.401 nan 8.210 nan 0.000 0.446 14 V N 5.221 125.186 119.914 0.086 0.000 2.435 14 V HA 0.188 4.304 4.120 -0.008 0.000 0.290 14 V C 0.042 176.144 176.094 0.014 0.000 1.030 14 V CA -0.609 61.681 62.300 -0.018 0.000 0.881 14 V CB 1.333 32.976 31.823 -0.300 0.000 0.983 14 V HN 0.671 nan 8.190 nan 0.000 0.445 15 H N 5.826 124.857 119.070 -0.065 0.000 2.969 15 H HA 0.348 4.899 4.556 -0.008 0.000 0.269 15 H C -0.342 174.937 175.328 -0.083 0.000 1.223 15 H CA -0.768 55.274 56.048 -0.010 0.000 1.400 15 H CB 0.524 30.306 29.762 0.033 0.000 1.500 15 H HN 0.559 nan 8.280 nan 0.000 0.486 16 L N 7.297 128.442 121.223 -0.130 0.000 2.423 16 L HA 0.033 4.368 4.340 -0.008 0.000 0.249 16 L C 0.004 176.828 176.870 -0.076 0.000 1.276 16 L CA -0.477 54.033 54.840 -0.549 0.000 1.199 16 L CB -0.695 40.764 42.059 -1.001 0.000 1.407 16 L HN 0.551 nan 8.230 nan 0.000 0.410 17 F N 4.322 124.094 119.950 -0.297 0.000 2.571 17 F HA -0.040 4.482 4.527 -0.008 0.000 0.390 17 F C 1.344 177.362 175.800 0.362 0.000 1.043 17 F CA 0.249 58.137 58.000 -0.187 0.000 1.164 17 F CB -0.120 38.641 39.000 -0.398 0.000 1.049 17 F HN 0.498 nan 8.300 nan 0.000 0.552 18 E N 2.341 122.590 120.200 0.082 0.000 3.496 18 E HA -0.298 4.047 4.350 -0.008 0.000 0.300 18 E C -0.561 176.139 176.600 0.167 0.000 0.877 18 E CA 0.901 57.304 56.400 0.004 0.000 1.050 18 E CB -1.764 27.801 29.700 -0.226 0.000 1.532 18 E HN 0.620 nan 8.360 nan 0.000 0.447 19 W N 1.757 123.045 121.300 -0.020 0.000 2.184 19 W HA 0.274 4.930 4.660 -0.008 0.000 0.338 19 W C 1.454 177.873 176.519 -0.167 0.000 1.257 19 W CA 0.011 57.307 57.345 -0.082 0.000 1.243 19 W CB 0.371 29.809 29.460 -0.037 0.000 1.122 19 W HN -0.203 nan 8.180 nan 0.000 0.585 20 K N 1.276 121.666 120.400 -0.015 0.000 2.118 20 K HA 0.100 4.416 4.320 -0.008 0.000 0.264 20 K C 0.978 177.618 176.600 0.067 0.000 1.000 20 K CA -0.524 55.625 56.287 -0.231 0.000 0.929 20 K CB 0.861 33.241 32.500 -0.200 0.000 1.021 20 K HN 0.612 nan 8.250 nan 0.000 0.463 21 W N 1.171 122.537 121.300 0.110 0.000 2.338 21 W HA -0.207 4.448 4.660 -0.008 0.000 0.304 21 W C 1.588 178.133 176.519 0.043 0.000 1.212 21 W CA 0.441 57.825 57.345 0.065 0.000 1.264 21 W CB -0.356 29.143 29.460 0.065 0.000 1.142 21 W HN 0.737 nan 8.180 nan 0.000 0.512 22 N N 0.478 119.320 118.700 0.237 0.000 2.104 22 N HA -0.192 4.543 4.740 -0.008 0.000 0.190 22 N C 1.180 176.765 175.510 0.125 0.000 1.024 22 N CA 1.530 54.664 53.050 0.140 0.000 0.853 22 N CB -0.316 38.216 38.487 0.075 0.000 1.008 22 N HN 0.110 nan 8.380 nan 0.000 0.424 23 D N 0.944 121.418 120.400 0.125 0.000 2.144 23 D HA -0.059 4.576 4.640 -0.008 0.000 0.200 23 D C 2.004 178.490 176.300 0.310 0.000 0.978 23 D CA 0.718 54.808 54.000 0.150 0.000 0.833 23 D CB -0.079 40.729 40.800 0.013 0.000 0.961 23 D HN 0.326 nan 8.370 nan 0.000 0.470 24 I N 1.479 122.253 120.570 0.341 0.000 2.226 24 I HA -0.242 3.924 4.170 -0.008 0.000 0.245 24 I C 2.605 178.794 176.117 0.119 0.000 1.100 24 I CA 0.855 62.295 61.300 0.232 0.000 1.374 24 I CB -0.246 37.885 38.000 0.219 0.000 1.057 24 I HN -0.093 nan 8.210 nan 0.000 0.413 25 A N 0.725 123.611 122.820 0.111 0.000 1.883 25 A HA -0.269 4.046 4.320 -0.008 0.000 0.217 25 A C 1.975 179.597 177.584 0.064 0.000 1.186 25 A CA 2.260 54.332 52.037 0.057 0.000 0.624 25 A CB -0.659 18.376 19.000 0.059 0.000 0.822 25 A HN 0.348 nan 8.150 nan 0.000 0.444 26 D N -0.838 119.617 120.400 0.091 0.000 2.097 26 D HA -0.135 4.501 4.640 -0.008 0.000 0.195 26 D C 1.928 178.293 176.300 0.109 0.000 0.989 26 D CA 1.655 55.708 54.000 0.088 0.000 0.827 26 D CB -0.349 40.503 40.800 0.087 0.000 0.966 26 D HN 0.559 nan 8.370 nan 0.000 0.456 27 E N 0.178 120.468 120.200 0.150 0.000 2.110 27 E HA -0.132 4.213 4.350 -0.008 0.000 0.193 27 E C 2.068 178.727 176.600 0.098 0.000 0.988 27 E CA 0.812 57.306 56.400 0.157 0.000 0.804 27 E CB -0.353 29.437 29.700 0.149 0.000 0.745 27 E HN 0.204 nan 8.360 nan 0.000 0.458 28 c N 0.558 119.184 118.600 0.043 0.000 2.413 28 c HA -0.124 4.442 4.570 -0.008 0.000 0.276 28 c C 2.386 176.493 174.090 0.028 0.000 1.248 28 c CA 1.232 57.569 56.329 0.012 0.000 1.742 28 c CB -0.882 41.620 42.510 -0.014 0.000 2.017 28 c HN 0.536 nan 8.230 nan 0.000 0.481 29 E N 0.351 120.574 120.200 0.038 0.000 2.051 29 E HA -0.153 4.192 4.350 -0.008 0.000 0.189 29 E C 2.381 179.009 176.600 0.047 0.000 0.979 29 E CA 0.932 57.350 56.400 0.031 0.000 0.803 29 E CB -0.247 29.470 29.700 0.028 0.000 0.761 29 E HN 0.701 nan 8.360 nan 0.000 0.451 30 R N -0.610 119.940 120.500 0.084 0.000 2.200 30 R HA 0.013 4.349 4.340 -0.008 0.000 0.208 30 R C 1.444 177.847 176.300 0.172 0.000 1.033 30 R CA 1.073 57.238 56.100 0.108 0.000 1.000 30 R CB 0.045 30.415 30.300 0.116 0.000 0.906 30 R HN 0.185 nan 8.270 nan 0.000 0.462 31 F N 0.005 119.953 119.950 -0.003 0.000 2.244 31 F HA 0.305 4.827 4.527 -0.007 0.000 0.272 31 F C 1.583 177.387 175.800 0.007 0.000 0.882 31 F CA -0.330 57.660 58.000 -0.017 0.000 1.101 31 F CB 0.197 39.183 39.000 -0.023 0.000 1.097 31 F HN -0.192 nan 8.300 nan 0.000 0.762 32 L N 0.786 122.071 121.223 0.103 0.000 2.017 32 L HA -0.222 4.114 4.340 -0.008 0.000 0.208 32 L C 2.487 179.393 176.870 0.060 0.000 1.073 32 L CA 2.153 57.017 54.840 0.040 0.000 0.745 32 L CB -0.880 41.162 42.059 -0.028 0.000 0.894 32 L HN 0.358 nan 8.230 nan 0.000 0.432 33 Q N 0.513 120.314 119.800 0.003 0.000 1.993 33 Q HA -0.176 4.160 4.340 -0.008 0.000 0.202 33 Q C -0.409 175.557 176.000 -0.056 0.000 0.984 33 Q CA 1.979 57.769 55.803 -0.021 0.000 0.837 33 Q CB -0.818 27.906 28.738 -0.023 0.000 0.902 33 Q HN 0.256 nan 8.270 nan 0.000 0.423 34 P HA -0.152 nan 4.420 nan 0.000 0.216 34 P C 0.714 177.908 177.300 -0.176 0.000 1.150 34 P CA 1.253 64.276 63.100 -0.128 0.000 0.837 34 P CB -0.009 31.601 31.700 -0.150 0.000 0.786 35 Q N -1.839 117.813 119.800 -0.245 0.000 2.403 35 Q HA 0.198 4.533 4.340 -0.008 0.000 0.203 35 Q C 1.339 177.238 176.000 -0.168 0.000 0.932 35 Q CA 0.849 56.508 55.803 -0.241 0.000 0.945 35 Q CB -0.435 28.056 28.738 -0.410 0.000 1.045 35 Q HN 0.286 nan 8.270 nan 0.000 0.511 36 G N 0.991 109.729 108.800 -0.103 0.000 2.147 36 G HA2 -0.265 3.690 3.960 -0.008 0.000 0.244 36 G HA3 -0.265 3.690 3.960 -0.008 0.000 0.244 36 G C -0.220 174.552 174.900 -0.214 0.000 1.005 36 G CA -0.224 44.785 45.100 -0.153 0.000 0.713 36 G HN 0.240 nan 8.290 nan 0.000 0.515 37 F N -0.011 119.841 119.950 -0.162 0.000 2.410 37 F HA 0.506 5.030 4.527 -0.006 0.000 0.334 37 F C 1.792 177.427 175.800 -0.276 0.000 1.134 37 F CA 0.997 58.888 58.000 -0.182 0.000 1.227 37 F CB 1.272 40.218 39.000 -0.090 0.000 1.194 37 F HN -0.006 nan 8.300 nan 0.000 0.571 38 G N 0.501 109.119 108.800 -0.304 0.000 2.595 38 G HA2 0.448 4.403 3.960 -0.008 0.000 0.213 38 G HA3 0.448 4.403 3.960 -0.008 0.000 0.213 38 G C 0.350 175.177 174.900 -0.123 0.000 1.141 38 G CA 0.552 45.276 45.100 -0.625 0.000 0.806 38 G HN 1.001 nan 8.290 nan 0.000 0.530 39 G N -1.675 107.170 108.800 0.075 0.000 2.550 39 G HA2 0.474 4.429 3.960 -0.008 0.000 0.293 39 G HA3 0.474 4.429 3.960 -0.008 0.000 0.293 39 G C -2.211 172.827 174.900 0.231 0.000 1.402 39 G CA -0.347 44.941 45.100 0.314 0.000 0.784 39 G HN 0.420 nan 8.290 nan 0.000 0.482 40 V N 0.386 120.440 119.914 0.233 0.000 2.638 40 V HA 0.532 4.648 4.120 -0.008 0.000 0.306 40 V C -0.274 175.988 176.094 0.280 0.000 1.052 40 V CA -0.660 61.721 62.300 0.135 0.000 0.885 40 V CB 1.676 33.485 31.823 -0.024 0.000 0.999 40 V HN 0.841 nan 8.190 nan 0.000 0.424 41 Q N 5.019 124.988 119.800 0.281 0.000 2.331 41 Q HA 0.595 4.931 4.340 -0.008 0.000 0.257 41 Q C -0.517 175.678 176.000 0.325 0.000 0.957 41 Q CA -0.489 55.504 55.803 0.317 0.000 0.923 41 Q CB 1.363 30.233 28.738 0.219 0.000 1.212 41 Q HN 0.861 nan 8.270 nan 0.000 0.443 42 I N 0.275 121.024 120.570 0.298 0.000 2.677 42 I HA 0.478 4.643 4.170 -0.008 0.000 0.305 42 I C -0.035 176.367 176.117 0.474 0.000 0.988 42 I CA -0.829 60.712 61.300 0.402 0.000 1.260 42 I CB 1.677 39.872 38.000 0.325 0.000 1.410 42 I HN 0.374 nan 8.210 nan 0.000 0.523 43 S N 3.581 119.624 115.700 0.573 0.000 2.593 43 S HA 0.246 4.712 4.470 -0.008 0.000 0.269 43 S C -2.266 172.603 174.600 0.449 0.000 1.334 43 S CA -0.561 57.931 58.200 0.487 0.000 1.015 43 S CB 0.131 63.560 63.200 0.381 0.000 0.912 43 S HN 0.551 nan 8.310 nan 0.000 0.541 44 P HA 0.013 nan 4.420 nan 0.000 0.258 44 P C -1.873 175.717 177.300 0.484 0.000 1.172 44 P CA -0.545 62.719 63.100 0.273 0.000 0.762 44 P CB 0.149 31.859 31.700 0.017 0.000 0.764 45 P HA -0.026 nan 4.420 nan 0.000 0.257 45 P C -0.238 177.293 177.300 0.384 0.000 1.241 45 P CA 0.536 64.000 63.100 0.607 0.000 0.816 45 P CB 0.287 32.195 31.700 0.346 0.000 1.150 46 N N 0.706 119.596 118.700 0.318 0.000 2.515 46 N HA 0.042 4.777 4.740 -0.008 0.000 0.279 46 N C -0.193 175.344 175.510 0.046 0.000 1.164 46 N CA -0.431 52.704 53.050 0.141 0.000 0.982 46 N CB 1.251 39.746 38.487 0.013 0.000 1.170 46 N HN -0.042 nan 8.380 nan 0.000 0.474 47 E N 0.611 120.749 120.200 -0.103 0.000 2.558 47 E HA -0.072 4.274 4.350 -0.008 0.000 0.255 47 E C -0.972 175.525 176.600 -0.173 0.000 0.968 47 E CA 0.080 56.338 56.400 -0.237 0.000 0.939 47 E CB 0.081 29.669 29.700 -0.187 0.000 0.921 47 E HN 0.565 nan 8.360 nan 0.000 0.477 48 Y N 1.868 122.154 120.300 -0.023 0.000 2.662 48 Y HA 0.458 5.004 4.550 -0.008 0.000 0.335 48 Y C -0.813 175.094 175.900 0.011 0.000 1.066 48 Y CA -1.792 56.303 58.100 -0.009 0.000 1.116 48 Y CB 0.143 38.599 38.460 -0.007 0.000 1.308 48 Y HN 0.398 nan 8.280 nan 0.000 0.502 49 L N 1.489 122.899 121.223 0.310 0.000 2.485 49 L HA 0.355 4.691 4.340 -0.008 0.000 0.275 49 L C -0.589 176.398 176.870 0.195 0.000 1.207 49 L CA 0.047 55.011 54.840 0.207 0.000 0.855 49 L CB 0.568 42.751 42.059 0.206 0.000 1.114 49 L HN 0.580 nan 8.230 nan 0.000 0.485 50 V N 6.504 126.471 119.914 0.087 0.000 2.353 50 V HA 0.559 4.675 4.120 -0.008 0.000 0.264 50 V C 0.570 176.671 176.094 0.012 0.000 1.049 50 V CA -0.050 62.275 62.300 0.042 0.000 0.896 50 V CB 0.227 32.051 31.823 0.002 0.000 1.025 50 V HN 0.962 nan 8.190 nan 0.000 0.475 51 A N 3.828 126.620 122.820 -0.047 0.000 2.306 51 A HA 0.495 4.810 4.320 -0.008 0.000 0.330 51 A C 0.086 177.598 177.584 -0.119 0.000 1.146 51 A CA -0.628 51.356 52.037 -0.088 0.000 0.827 51 A CB 0.609 19.470 19.000 -0.231 0.000 1.178 51 A HN 0.717 nan 8.150 nan 0.000 0.490 52 D N 0.699 121.063 120.400 -0.059 0.000 2.520 52 D HA 0.274 4.910 4.640 -0.008 0.000 0.243 52 D C 1.427 177.675 176.300 -0.087 0.000 1.160 52 D CA 2.288 56.260 54.000 -0.046 0.000 0.877 52 D CB 0.393 41.195 40.800 0.004 0.000 1.150 52 D HN 1.212 nan 8.370 nan 0.000 0.494 53 G N 4.474 113.226 108.800 -0.080 0.000 2.199 53 G HA2 -0.338 3.618 3.960 -0.008 0.000 0.254 53 G HA3 -0.338 3.618 3.960 -0.008 0.000 0.254 53 G C 0.428 175.242 174.900 -0.142 0.000 0.982 53 G CA 0.235 45.282 45.100 -0.088 0.000 0.632 53 G HN 0.655 nan 8.290 nan 0.000 0.529 54 R N -1.460 118.926 120.500 -0.190 0.000 3.209 54 R HA -0.132 4.204 4.340 -0.008 0.000 0.252 54 R C -2.063 174.051 176.300 -0.310 0.000 0.958 54 R CA 1.284 57.251 56.100 -0.222 0.000 0.651 54 R CB -2.794 27.421 30.300 -0.143 0.000 1.142 54 R HN 0.629 nan 8.270 nan 0.000 0.441 55 P HA -0.011 nan 4.420 nan 0.000 0.272 55 P C 1.522 178.482 177.300 -0.566 0.000 1.240 55 P CA -0.492 62.209 63.100 -0.665 0.000 0.791 55 P CB 0.221 31.055 31.700 -1.444 0.000 0.978 56 W N 2.641 123.819 121.300 -0.203 0.000 2.374 56 W HA -0.114 4.541 4.660 -0.007 0.000 0.288 56 W C 1.748 178.341 176.519 0.123 0.000 1.218 56 W CA 0.789 58.134 57.345 0.000 0.000 1.245 56 W CB -1.801 27.866 29.460 0.345 0.000 1.126 56 W HN 0.486 nan 8.180 nan 0.000 0.545 57 W N 3.521 124.239 121.300 -0.971 0.000 2.699 57 W HA -0.037 4.618 4.660 -0.008 0.000 0.249 57 W C 1.686 178.053 176.519 -0.253 0.000 1.280 57 W CA 1.025 57.864 57.345 -0.842 0.000 1.345 57 W CB -1.285 27.395 29.460 -1.300 0.000 1.128 57 W HN 0.210 nan 8.180 nan 0.000 0.642 58 E N 1.698 121.717 120.200 -0.302 0.000 2.204 58 E HA -0.196 4.150 4.350 -0.008 0.000 0.195 58 E C 1.935 178.421 176.600 -0.190 0.000 0.990 58 E CA 0.840 57.162 56.400 -0.131 0.000 0.821 58 E CB -0.639 28.915 29.700 -0.243 0.000 0.750 58 E HN 0.245 nan 8.360 nan 0.000 0.477 59 R N -0.228 119.956 120.500 -0.525 0.000 2.241 59 R HA -0.091 4.244 4.340 -0.008 0.000 0.224 59 R C 0.618 176.603 176.300 -0.525 0.000 1.101 59 R CA 1.004 56.506 56.100 -0.996 0.000 0.995 59 R CB -0.156 29.598 30.300 -0.911 0.000 0.870 59 R HN 0.369 nan 8.270 nan 0.000 0.463 60 Y N 0.332 120.694 120.300 0.104 0.000 2.532 60 Y HA 0.175 4.720 4.550 -0.008 0.000 0.283 60 Y C 0.247 176.343 175.900 0.326 0.000 1.181 60 Y CA 0.039 58.293 58.100 0.256 0.000 1.256 60 Y CB 0.447 39.102 38.460 0.325 0.000 1.112 60 Y HN -0.112 nan 8.280 nan 0.000 0.521 61 Q N 1.136 121.121 119.800 0.309 0.000 2.798 61 Q HA 0.278 4.614 4.340 -0.008 0.000 0.250 61 Q C -2.745 173.394 176.000 0.232 0.000 1.006 61 Q CA -2.097 53.893 55.803 0.312 0.000 0.759 61 Q CB 1.401 30.311 28.738 0.288 0.000 1.201 61 Q HN 0.064 nan 8.270 nan 0.000 0.486 62 P HA -0.059 nan 4.420 nan 0.000 0.266 62 P C 0.171 177.451 177.300 -0.033 0.000 1.195 62 P CA 0.164 63.275 63.100 0.018 0.000 0.768 62 P CB 1.155 32.800 31.700 -0.091 0.000 0.838 63 V N 0.742 120.620 119.914 -0.059 0.000 3.359 63 V HA 0.116 4.232 4.120 -0.008 0.000 0.245 63 V C 0.841 176.863 176.094 -0.120 0.000 1.247 63 V CA 1.347 63.663 62.300 0.026 0.000 1.145 63 V CB 0.340 32.206 31.823 0.072 0.000 0.906 63 V HN 0.796 nan 8.190 nan 0.000 0.464 64 S N -2.040 113.449 115.700 -0.352 0.000 2.694 64 S HA 0.449 4.914 4.470 -0.008 0.000 0.273 64 S C -0.933 173.151 174.600 -0.859 0.000 1.180 64 S CA -0.395 57.464 58.200 -0.569 0.000 0.864 64 S CB 0.822 63.863 63.200 -0.265 0.000 1.198 64 S HN -0.026 nan 8.310 nan 0.000 0.499 65 Y N 0.453 120.609 120.300 -0.240 0.000 2.636 65 Y HA 0.533 5.079 4.550 -0.008 0.000 0.260 65 Y C 0.285 176.098 175.900 -0.144 0.000 1.177 65 Y CA -0.934 56.952 58.100 -0.357 0.000 1.209 65 Y CB -0.138 38.032 38.460 -0.482 0.000 1.166 65 Y HN 0.403 nan 8.280 nan 0.000 0.531 66 I N 2.081 122.616 120.570 -0.058 0.000 2.533 66 I HA 0.008 4.174 4.170 -0.008 0.000 0.284 66 I C -0.007 176.123 176.117 0.022 0.000 1.109 66 I CA -0.172 61.121 61.300 -0.011 0.000 1.412 66 I CB 0.692 38.666 38.000 -0.043 0.000 1.396 66 I HN 0.008 nan 8.210 nan 0.000 0.543 67 I N 6.280 126.891 120.570 0.068 0.000 2.270 67 I HA 0.134 4.299 4.170 -0.008 0.000 0.300 67 I C -0.048 176.138 176.117 0.116 0.000 1.186 67 I CA 0.421 61.772 61.300 0.085 0.000 1.431 67 I CB -1.417 36.581 38.000 -0.004 0.000 1.485 67 I HN 0.552 nan 8.210 nan 0.000 0.650 68 N N 4.083 122.831 118.700 0.079 0.000 2.699 68 N HA 0.300 5.035 4.740 -0.008 0.000 0.271 68 N C -0.583 174.893 175.510 -0.057 0.000 1.216 68 N CA -0.179 52.898 53.050 0.045 0.000 0.844 68 N CB 1.499 39.986 38.487 0.001 0.000 1.462 68 N HN 0.546 nan 8.380 nan 0.000 0.555 69 T N -0.779 113.757 114.554 -0.030 0.000 2.696 69 T HA 0.485 4.830 4.350 -0.008 0.000 0.291 69 T C 0.978 175.611 174.700 -0.112 0.000 1.095 69 T CA -0.675 61.328 62.100 -0.161 0.000 1.026 69 T CB 1.354 70.237 68.868 0.024 0.000 1.390 69 T HN 0.253 nan 8.240 nan 0.000 0.513 70 R N 0.121 120.583 120.500 -0.062 0.000 2.237 70 R HA 0.036 4.371 4.340 -0.008 0.000 0.219 70 R C 2.060 178.228 176.300 -0.220 0.000 1.080 70 R CA 0.975 57.020 56.100 -0.092 0.000 0.995 70 R CB -0.409 29.872 30.300 -0.031 0.000 0.875 70 R HN 0.542 nan 8.270 nan 0.000 0.462 71 S N -0.420 115.053 115.700 -0.379 0.000 2.489 71 S HA 0.124 4.589 4.470 -0.008 0.000 0.228 71 S C 0.746 174.734 174.600 -1.020 0.000 0.995 71 S CA 0.651 58.308 58.200 -0.905 0.000 0.934 71 S CB 0.634 62.771 63.200 -1.773 0.000 0.771 71 S HN 0.656 nan 8.310 nan 0.000 0.522 72 G N 1.393 109.913 108.800 -0.468 0.000 2.353 72 G HA2 0.168 4.124 3.960 -0.008 0.000 0.424 72 G HA3 0.168 4.124 3.960 -0.008 0.000 0.424 72 G C -1.729 173.304 174.900 0.222 0.000 1.320 72 G CA -0.420 44.616 45.100 -0.106 0.000 0.995 72 G HN 0.283 nan 8.290 nan 0.000 0.580 73 D N -0.986 119.576 120.400 0.271 0.000 2.539 73 D HA 0.448 5.083 4.640 -0.008 0.000 0.276 73 D C 1.187 177.701 176.300 0.356 0.000 1.206 73 D CA -0.041 54.116 54.000 0.261 0.000 1.081 73 D CB 0.641 41.531 40.800 0.149 0.000 1.142 73 D HN 0.563 nan 8.370 nan 0.000 0.595 74 E N -0.909 119.434 120.200 0.237 0.000 2.150 74 E HA -0.167 4.179 4.350 -0.008 0.000 0.193 74 E C 1.801 178.550 176.600 0.248 0.000 0.985 74 E CA 1.279 57.813 56.400 0.222 0.000 0.814 74 E CB 0.028 29.822 29.700 0.156 0.000 0.752 74 E HN 0.487 nan 8.360 nan 0.000 0.466 75 S N 0.220 116.042 115.700 0.204 0.000 2.383 75 S HA -0.050 4.415 4.470 -0.008 0.000 0.227 75 S C 2.184 176.905 174.600 0.201 0.000 1.026 75 S CA 0.763 59.067 58.200 0.174 0.000 0.981 75 S CB -0.109 63.168 63.200 0.128 0.000 0.818 75 S HN 0.328 nan 8.310 nan 0.000 0.472 76 A N 1.079 124.059 122.820 0.265 0.000 1.930 76 A HA 0.118 4.434 4.320 -0.008 0.000 0.217 76 A C 1.931 179.715 177.584 0.332 0.000 1.175 76 A CA 1.202 53.425 52.037 0.309 0.000 0.627 76 A CB -1.028 18.202 19.000 0.383 0.000 0.815 76 A HN 0.542 nan 8.150 nan 0.000 0.443 77 F N 1.859 121.912 119.950 0.173 0.000 2.102 77 F HA -0.200 4.323 4.527 -0.007 0.000 0.298 77 F C 2.776 178.496 175.800 -0.133 0.000 1.105 77 F CA 2.436 60.313 58.000 -0.204 0.000 1.239 77 F CB -0.396 38.422 39.000 -0.303 0.000 0.991 77 F HN 0.347 nan 8.300 nan 0.000 0.474 78 T N -2.893 111.766 114.554 0.174 0.000 2.904 78 T HA -0.178 4.167 4.350 -0.008 0.000 0.267 78 T C 1.637 176.371 174.700 0.056 0.000 1.059 78 T CA 1.397 63.565 62.100 0.114 0.000 1.137 78 T CB -0.708 68.269 68.868 0.182 0.000 0.879 78 T HN 0.392 nan 8.240 nan 0.000 0.467 79 D N 0.828 121.265 120.400 0.061 0.000 2.117 79 D HA -0.101 4.534 4.640 -0.008 0.000 0.197 79 D C 2.144 178.443 176.300 -0.001 0.000 0.987 79 D CA 1.174 55.204 54.000 0.050 0.000 0.829 79 D CB -0.349 40.496 40.800 0.075 0.000 0.961 79 D HN 0.439 nan 8.370 nan 0.000 0.460 80 M N -0.020 119.540 119.600 -0.066 0.000 2.099 80 M HA -0.159 4.316 4.480 -0.008 0.000 0.262 80 M C 2.011 178.182 176.300 -0.215 0.000 1.067 80 M CA 2.181 57.397 55.300 -0.139 0.000 1.124 80 M CB -0.450 32.014 32.600 -0.225 0.000 1.353 80 M HN 0.195 nan 8.290 nan 0.000 0.410 81 T N -1.459 112.899 114.554 -0.327 0.000 2.821 81 T HA -0.161 4.184 4.350 -0.008 0.000 0.267 81 T C 1.762 176.451 174.700 -0.017 0.000 1.046 81 T CA 1.430 63.354 62.100 -0.293 0.000 1.139 81 T CB -0.510 68.081 68.868 -0.461 0.000 0.871 81 T HN 0.406 nan 8.240 nan 0.000 0.454 82 R N 1.520 122.092 120.500 0.120 0.000 2.070 82 R HA 0.088 4.424 4.340 -0.008 0.000 0.233 82 R C 2.653 178.979 176.300 0.043 0.000 1.137 82 R CA 1.528 57.728 56.100 0.167 0.000 0.945 82 R CB -0.481 29.878 30.300 0.098 0.000 0.845 82 R HN 0.430 nan 8.270 nan 0.000 0.430 83 R N -0.839 119.664 120.500 0.006 0.000 2.075 83 R HA -0.064 4.271 4.340 -0.008 0.000 0.232 83 R C 2.539 178.822 176.300 -0.029 0.000 1.126 83 R CA 1.568 57.662 56.100 -0.010 0.000 0.963 83 R CB -0.598 29.701 30.300 -0.001 0.000 0.858 83 R HN 0.291 nan 8.270 nan 0.000 0.435 84 c N 0.711 119.279 118.600 -0.053 0.000 2.453 84 c HA -0.015 4.551 4.570 -0.008 0.000 0.277 84 c C 2.306 176.347 174.090 -0.082 0.000 1.262 84 c CA 0.433 56.719 56.329 -0.072 0.000 1.718 84 c CB -0.934 41.510 42.510 -0.110 0.000 2.031 84 c HN 0.515 nan 8.230 nan 0.000 0.480 85 N N 1.222 119.869 118.700 -0.087 0.000 2.166 85 N HA -0.122 4.613 4.740 -0.008 0.000 0.186 85 N C 1.147 176.595 175.510 -0.104 0.000 1.019 85 N CA 1.401 54.377 53.050 -0.122 0.000 0.856 85 N CB -0.526 37.911 38.487 -0.083 0.000 0.993 85 N HN 0.533 nan 8.380 nan 0.000 0.426 86 D N 0.600 120.963 120.400 -0.061 0.000 2.219 86 D HA -0.030 4.605 4.640 -0.008 0.000 0.205 86 D C 1.269 177.535 176.300 -0.058 0.000 0.970 86 D CA 0.549 54.512 54.000 -0.061 0.000 0.851 86 D CB -0.099 40.674 40.800 -0.045 0.000 0.943 86 D HN 0.224 nan 8.370 nan 0.000 0.488 87 A N -0.408 122.380 122.820 -0.052 0.000 2.278 87 A HA 0.439 4.754 4.320 -0.008 0.000 0.212 87 A C 1.629 179.182 177.584 -0.051 0.000 1.213 87 A CA 0.777 52.788 52.037 -0.043 0.000 0.840 87 A CB -0.293 18.689 19.000 -0.030 0.000 0.866 87 A HN 0.195 nan 8.150 nan 0.000 0.489 88 G N -1.269 107.487 108.800 -0.072 0.000 2.160 88 G HA2 -0.183 3.772 3.960 -0.008 0.000 0.251 88 G HA3 -0.183 3.772 3.960 -0.008 0.000 0.251 88 G C 0.002 174.867 174.900 -0.057 0.000 1.008 88 G CA 0.328 45.383 45.100 -0.074 0.000 0.724 88 G HN 0.908 nan 8.290 nan 0.000 0.514 89 V N 1.680 121.558 119.914 -0.061 0.000 2.378 89 V HA 0.567 4.682 4.120 -0.008 0.000 0.288 89 V C 0.502 176.557 176.094 -0.064 0.000 1.016 89 V CA -1.379 60.898 62.300 -0.037 0.000 0.840 89 V CB 1.476 33.279 31.823 -0.034 0.000 0.994 89 V HN 0.319 nan 8.190 nan 0.000 0.431 90 R N 3.999 124.490 120.500 -0.016 0.000 2.615 90 R HA 0.518 4.854 4.340 -0.008 0.000 0.270 90 R C -0.544 175.573 176.300 -0.305 0.000 1.081 90 R CA -0.693 55.325 56.100 -0.137 0.000 1.154 90 R CB 0.831 31.093 30.300 -0.064 0.000 1.063 90 R HN 0.430 nan 8.270 nan 0.000 0.519 91 I N 2.961 123.245 120.570 -0.477 0.000 2.406 91 I HA 0.269 4.434 4.170 -0.008 0.000 0.290 91 I C -0.634 175.093 176.117 -0.650 0.000 0.999 91 I CA -0.950 60.087 61.300 -0.439 0.000 1.124 91 I CB 1.016 38.787 38.000 -0.382 0.000 1.289 91 I HN 0.405 nan 8.210 nan 0.000 0.441 92 Y N 4.841 125.141 120.300 -0.000 0.000 2.341 92 Y HA 0.448 4.994 4.550 -0.008 0.000 0.338 92 Y C 0.293 176.184 175.900 -0.016 0.000 0.965 92 Y CA -0.921 57.178 58.100 -0.001 0.000 1.108 92 Y CB 1.788 40.387 38.460 0.231 0.000 1.180 92 Y HN 0.188 nan 8.280 nan 0.000 0.458 93 V N 3.297 123.203 119.914 -0.013 0.000 2.498 93 V HA 0.064 4.179 4.120 -0.008 0.000 0.279 93 V C -0.031 176.193 176.094 0.218 0.000 1.048 93 V CA -0.632 61.738 62.300 0.117 0.000 0.967 93 V CB 1.234 33.126 31.823 0.116 0.000 0.988 93 V HN 0.665 nan 8.190 nan 0.000 0.473 94 D N 4.434 124.976 120.400 0.237 0.000 2.374 94 D HA 0.315 4.950 4.640 -0.008 0.000 0.240 94 D C 0.107 176.577 176.300 0.284 0.000 1.229 94 D CA -0.092 54.041 54.000 0.222 0.000 0.895 94 D CB 1.170 42.117 40.800 0.246 0.000 1.046 94 D HN 0.676 nan 8.370 nan 0.000 0.498 95 A N 4.228 127.210 122.820 0.270 0.000 2.279 95 A HA 0.401 4.717 4.320 -0.008 0.000 0.306 95 A C -0.174 177.554 177.584 0.241 0.000 1.300 95 A CA -0.654 51.557 52.037 0.290 0.000 0.925 95 A CB 0.559 19.658 19.000 0.165 0.000 1.152 95 A HN 0.376 nan 8.150 nan 0.000 0.544 96 V N 5.499 125.559 119.914 0.245 0.000 2.270 96 V HA 0.198 4.313 4.120 -0.008 0.000 0.263 96 V C 0.775 176.906 176.094 0.062 0.000 1.066 96 V CA 0.166 62.550 62.300 0.139 0.000 0.857 96 V CB -0.149 31.750 31.823 0.126 0.000 1.099 96 V HN 0.872 nan 8.190 nan 0.000 0.476 97 I N 0.532 121.125 120.570 0.039 0.000 4.147 97 I HA 0.379 4.544 4.170 -0.008 0.000 0.329 97 I C 1.366 177.468 176.117 -0.025 0.000 1.424 97 I CA 0.173 61.490 61.300 0.029 0.000 1.127 97 I CB 0.192 38.217 38.000 0.042 0.000 1.128 97 I HN 0.470 nan 8.210 nan 0.000 0.417 98 N N 1.515 120.181 118.700 -0.056 0.000 2.376 98 N HA -0.035 4.700 4.740 -0.008 0.000 0.177 98 N C 0.532 176.104 175.510 0.103 0.000 1.024 98 N CA 0.876 53.969 53.050 0.072 0.000 0.893 98 N CB 0.229 38.873 38.487 0.262 0.000 0.980 98 N HN 0.685 nan 8.380 nan 0.000 0.439 99 H N -3.735 115.389 119.070 0.090 0.000 2.933 99 H HA 0.283 4.835 4.556 -0.008 0.000 0.310 99 H C -0.328 175.039 175.328 0.065 0.000 1.351 99 H CA -0.835 55.267 56.048 0.089 0.000 1.137 99 H CB 0.534 30.356 29.762 0.100 0.000 1.853 99 H HN -0.191 nan 8.280 nan 0.000 0.539 100 M N 0.849 120.575 119.600 0.210 0.000 2.318 100 M HA 0.207 4.682 4.480 -0.008 0.000 0.213 100 M C 0.854 177.256 176.300 0.169 0.000 0.981 100 M CA 0.233 55.514 55.300 -0.032 0.000 1.878 100 M CB -0.484 31.739 32.600 -0.630 0.000 1.116 100 M HN 0.818 nan 8.290 nan 0.000 0.908 101 T N -1.395 113.269 114.554 0.184 0.000 2.936 101 T HA 0.655 5.000 4.350 -0.008 0.000 0.282 101 T C 0.783 175.661 174.700 0.296 0.000 1.003 101 T CA -0.295 61.978 62.100 0.289 0.000 1.005 101 T CB 1.466 70.543 68.868 0.348 0.000 1.097 101 T HN 0.619 nan 8.240 nan 0.000 0.532 102 G N 0.354 109.234 108.800 0.134 0.000 3.159 102 G HA2 0.454 4.409 3.960 -0.008 0.000 0.232 102 G HA3 0.454 4.409 3.960 -0.008 0.000 0.232 102 G C 0.251 174.882 174.900 -0.448 0.000 1.116 102 G CA -0.285 44.786 45.100 -0.049 0.000 0.767 102 G HN 1.010 nan 8.290 nan 0.000 0.547 103 M N -2.104 117.354 119.600 -0.237 0.000 2.732 103 M HA 0.486 4.961 4.480 -0.008 0.000 0.272 103 M C -2.050 174.256 176.300 0.010 0.000 1.203 103 M CA -1.057 54.088 55.300 -0.259 0.000 0.841 103 M CB 0.991 33.514 32.600 -0.129 0.000 1.685 103 M HN -0.256 nan 8.290 nan 0.000 0.492 104 N N 0.300 119.010 118.700 0.016 0.000 2.482 104 N HA 0.840 5.576 4.740 -0.008 0.000 0.260 104 N C -0.022 175.513 175.510 0.042 0.000 1.236 104 N CA 0.945 54.022 53.050 0.046 0.000 0.938 104 N CB 1.422 39.923 38.487 0.023 0.000 1.128 104 N HN 0.950 nan 8.380 nan 0.000 0.448 105 G N -1.390 107.434 108.800 0.040 0.000 2.356 105 G HA2 0.346 4.301 3.960 -0.008 0.000 0.281 105 G HA3 0.346 4.301 3.960 -0.008 0.000 0.281 105 G C -1.888 173.032 174.900 0.032 0.000 1.246 105 G CA -0.366 44.757 45.100 0.039 0.000 0.889 105 G HN 0.530 nan 8.290 nan 0.000 0.486 106 V N -0.124 119.808 119.914 0.030 0.000 2.876 106 V HA 0.868 4.983 4.120 -0.008 0.000 0.312 106 V C 0.746 176.850 176.094 0.015 0.000 1.085 106 V CA 0.488 62.797 62.300 0.015 0.000 0.945 106 V CB 1.737 33.558 31.823 -0.003 0.000 1.017 106 V HN 1.763 nan 8.190 nan 0.000 0.428 107 G N 1.802 110.600 108.800 -0.004 0.000 2.547 107 G HA2 0.381 4.336 3.960 -0.008 0.000 0.291 107 G HA3 0.381 4.336 3.960 -0.008 0.000 0.291 107 G C 1.022 175.861 174.900 -0.102 0.000 1.211 107 G CA 0.377 45.450 45.100 -0.046 0.000 0.950 107 G HN 1.190 nan 8.290 nan 0.000 0.504 108 T N -2.850 111.576 114.554 -0.212 0.000 3.025 108 T HA -0.067 4.278 4.350 -0.008 0.000 0.270 108 T C 1.770 176.377 174.700 -0.155 0.000 1.126 108 T CA 1.523 63.482 62.100 -0.235 0.000 1.105 108 T CB 0.096 68.687 68.868 -0.463 0.000 0.884 108 T HN 0.304 nan 8.240 nan 0.000 0.522 109 S N -0.406 115.218 115.700 -0.127 0.000 2.602 109 S HA 0.501 4.966 4.470 -0.008 0.000 0.240 109 S C 1.550 176.116 174.600 -0.056 0.000 0.992 109 S CA 0.217 58.368 58.200 -0.081 0.000 0.971 109 S CB -0.661 62.495 63.200 -0.073 0.000 0.855 109 S HN 0.945 nan 8.310 nan 0.000 0.481 110 G N 0.974 109.741 108.800 -0.054 0.000 2.179 110 G HA2 -0.243 3.712 3.960 -0.008 0.000 0.260 110 G HA3 -0.243 3.712 3.960 -0.008 0.000 0.260 110 G C 0.187 175.071 174.900 -0.028 0.000 0.977 110 G CA 0.332 45.411 45.100 -0.036 0.000 0.641 110 G HN 0.578 nan 8.290 nan 0.000 0.533 111 S N 0.540 116.222 115.700 -0.030 0.000 2.579 111 S HA 0.535 5.000 4.470 -0.008 0.000 0.275 111 S C 0.754 175.352 174.600 -0.002 0.000 1.345 111 S CA 0.236 58.426 58.200 -0.017 0.000 1.031 111 S CB 1.371 64.559 63.200 -0.019 0.000 0.892 111 S HN 0.552 nan 8.310 nan 0.000 0.529 112 S N 1.662 117.359 115.700 -0.004 0.000 2.562 112 S HA 0.552 5.018 4.470 -0.008 0.000 0.275 112 S C -0.002 174.587 174.600 -0.019 0.000 1.281 112 S CA -0.725 57.465 58.200 -0.017 0.000 1.045 112 S CB 1.049 64.225 63.200 -0.039 0.000 0.962 112 S HN 0.833 nan 8.310 nan 0.000 0.503 113 A N 2.353 125.157 122.820 -0.027 0.000 2.360 113 A HA 0.462 4.777 4.320 -0.008 0.000 0.309 113 A C -0.732 176.732 177.584 -0.200 0.000 1.311 113 A CA -0.697 51.304 52.037 -0.059 0.000 0.805 113 A CB 0.311 19.429 19.000 0.197 0.000 1.144 113 A HN 0.660 nan 8.150 nan 0.000 0.486 114 D N 1.675 121.788 120.400 -0.478 0.000 2.499 114 D HA 0.078 4.714 4.640 -0.008 0.000 0.225 114 D C 1.128 177.221 176.300 -0.346 0.000 1.124 114 D CA -0.025 53.787 54.000 -0.312 0.000 0.938 114 D CB 0.085 40.727 40.800 -0.262 0.000 1.014 114 D HN 0.659 nan 8.370 nan 0.000 0.517 115 H N 3.250 122.200 119.070 -0.199 0.000 2.326 115 H HA -0.120 4.431 4.556 -0.008 0.000 0.301 115 H C 0.307 175.564 175.328 -0.119 0.000 1.081 115 H CA 1.527 57.524 56.048 -0.086 0.000 1.334 115 H CB 0.556 30.322 29.762 0.006 0.000 1.385 115 H HN 0.361 nan 8.280 nan 0.000 0.504 116 D N 0.063 120.462 120.400 -0.002 0.000 2.104 116 D HA -0.109 4.527 4.640 -0.008 0.000 0.194 116 D C 2.099 178.308 176.300 -0.151 0.000 0.994 116 D CA 1.671 55.638 54.000 -0.055 0.000 0.830 116 D CB -0.759 40.054 40.800 0.023 0.000 0.959 116 D HN 0.571 nan 8.370 nan 0.000 0.452 117 G N -0.982 107.729 108.800 -0.149 0.000 3.189 117 G HA2 0.144 4.099 3.960 -0.008 0.000 0.225 117 G HA3 0.144 4.099 3.960 -0.008 0.000 0.225 117 G C 0.438 175.237 174.900 -0.167 0.000 1.159 117 G CA -0.205 44.815 45.100 -0.133 0.000 0.763 117 G HN 0.141 nan 8.290 nan 0.000 0.549 118 M N 0.507 119.941 119.600 -0.277 0.000 2.249 118 M HA -0.153 4.323 4.480 -0.008 0.000 0.198 118 M C -0.987 175.251 176.300 -0.103 0.000 0.394 118 M CA 0.397 55.499 55.300 -0.330 0.000 0.427 118 M CB -1.675 30.671 32.600 -0.423 0.000 1.307 118 M HN 0.180 nan 8.290 nan 0.000 0.924 119 N N 0.698 119.230 118.700 -0.279 0.000 2.407 119 N HA 0.511 5.246 4.740 -0.008 0.000 0.277 119 N C -1.474 173.761 175.510 -0.457 0.000 0.995 119 N CA -0.276 52.681 53.050 -0.154 0.000 0.903 119 N CB 1.162 39.580 38.487 -0.117 0.000 1.218 119 N HN 0.199 nan 8.380 nan 0.000 0.487 120 Y N 1.551 121.964 120.300 0.188 0.000 2.705 120 Y HA 0.300 4.845 4.550 -0.008 0.000 0.355 120 Y C -1.667 174.281 175.900 0.079 0.000 1.039 120 Y CA -1.595 56.592 58.100 0.146 0.000 1.233 120 Y CB 1.486 40.097 38.460 0.252 0.000 1.103 120 Y HN 0.446 nan 8.280 nan 0.000 0.624 121 P HA -0.268 nan 4.420 nan 0.000 0.217 121 P C 1.419 178.736 177.300 0.028 0.000 1.151 121 P CA 2.115 65.242 63.100 0.045 0.000 0.849 121 P CB 0.403 32.108 31.700 0.008 0.000 0.787 122 A N -1.285 121.546 122.820 0.018 0.000 2.168 122 A HA -0.048 4.268 4.320 -0.008 0.000 0.215 122 A C 2.114 179.661 177.584 -0.061 0.000 1.152 122 A CA 1.073 53.096 52.037 -0.023 0.000 0.716 122 A CB -1.273 17.706 19.000 -0.036 0.000 0.794 122 A HN 0.052 nan 8.150 nan 0.000 0.465 123 V N 0.595 120.457 119.914 -0.087 0.000 2.283 123 V HA 0.022 4.138 4.120 -0.008 0.000 0.239 123 V C -1.111 174.922 176.094 -0.103 0.000 1.035 123 V CA 1.293 63.473 62.300 -0.200 0.000 1.018 123 V CB -1.161 30.321 31.823 -0.568 0.000 0.658 123 V HN 0.540 nan 8.190 nan 0.000 0.459 124 P HA 0.423 nan 4.420 nan 0.000 0.292 124 P C -2.014 175.351 177.300 0.109 0.000 1.300 124 P CA -0.279 62.836 63.100 0.026 0.000 0.900 124 P CB 1.705 33.445 31.700 0.068 0.000 1.139 125 Y N -0.489 119.980 120.300 0.282 0.000 2.462 125 Y HA 0.648 5.193 4.550 -0.008 0.000 0.346 125 Y C 0.883 176.988 175.900 0.343 0.000 0.976 125 Y CA -0.442 57.849 58.100 0.318 0.000 1.044 125 Y CB 2.319 40.984 38.460 0.341 0.000 1.230 125 Y HN 0.621 nan 8.280 nan 0.000 0.455 126 G N -0.306 108.777 108.800 0.472 0.000 2.816 126 G HA2 0.410 4.365 3.960 -0.008 0.000 0.288 126 G HA3 0.410 4.365 3.960 -0.008 0.000 0.288 126 G C 0.369 175.518 174.900 0.415 0.000 1.334 126 G CA -0.346 44.954 45.100 0.332 0.000 0.978 126 G HN 0.613 nan 8.290 nan 0.000 0.493 127 S N -1.148 114.709 115.700 0.261 0.000 2.402 127 S HA -0.087 4.378 4.470 -0.008 0.000 0.233 127 S C 2.268 177.021 174.600 0.256 0.000 1.030 127 S CA 1.762 60.111 58.200 0.248 0.000 1.003 127 S CB -0.549 62.703 63.200 0.088 0.000 0.813 127 S HN 1.129 nan 8.310 nan 0.000 0.477 128 G N 1.061 109.957 108.800 0.159 0.000 2.625 128 G HA2 -0.028 3.927 3.960 -0.008 0.000 0.214 128 G HA3 -0.028 3.927 3.960 -0.008 0.000 0.214 128 G C 0.780 175.710 174.900 0.051 0.000 1.132 128 G CA 0.626 45.779 45.100 0.088 0.000 0.782 128 G HN 0.542 nan 8.290 nan 0.000 0.538 129 D N -0.555 119.866 120.400 0.034 0.000 2.349 129 D HA 0.172 4.807 4.640 -0.008 0.000 0.214 129 D C -0.098 175.840 176.300 -0.603 0.000 1.063 129 D CA 0.027 53.880 54.000 -0.245 0.000 0.847 129 D CB 0.355 40.985 40.800 -0.283 0.000 0.933 129 D HN 0.242 nan 8.370 nan 0.000 0.513 130 F N -0.216 119.656 119.950 -0.130 0.000 2.575 130 F HA 0.340 4.862 4.527 -0.008 0.000 0.330 130 F C 0.921 176.653 175.800 -0.114 0.000 1.056 130 F CA -1.003 56.893 58.000 -0.174 0.000 0.964 130 F CB 0.923 39.871 39.000 -0.086 0.000 1.258 130 F HN -0.239 nan 8.300 nan 0.000 0.484 131 H N -0.710 118.462 119.070 0.169 0.000 2.629 131 H HA 0.271 4.823 4.556 -0.008 0.000 0.357 131 H C 0.026 175.409 175.328 0.092 0.000 1.121 131 H CA -0.498 55.605 56.048 0.092 0.000 1.406 131 H CB 0.793 30.596 29.762 0.067 0.000 1.456 131 H HN 0.596 nan 8.280 nan 0.000 0.579 132 S N 3.286 119.100 115.700 0.190 0.000 2.537 132 S HA 0.064 4.529 4.470 -0.008 0.000 0.286 132 S C -2.423 172.227 174.600 0.083 0.000 1.299 132 S CA -1.428 56.833 58.200 0.103 0.000 1.067 132 S CB 0.276 63.514 63.200 0.064 0.000 0.864 132 S HN 0.407 nan 8.310 nan 0.000 0.494 133 P HA 0.211 nan 4.420 nan 0.000 0.261 133 P C -0.342 176.971 177.300 0.022 0.000 1.173 133 P CA -0.179 62.937 63.100 0.026 0.000 0.760 133 P CB -0.175 31.520 31.700 -0.008 0.000 0.783 134 c N 0.551 119.164 118.600 0.022 0.000 3.292 134 c HA 0.563 5.128 4.570 -0.008 0.000 0.338 134 c C -0.877 173.216 174.090 0.005 0.000 1.323 134 c CA -1.002 55.332 56.329 0.007 0.000 1.232 134 c CB 1.284 43.793 42.510 -0.003 0.000 1.517 134 c HN 0.590 nan 8.230 nan 0.000 0.470 135 E N 0.675 120.872 120.200 -0.005 0.000 2.191 135 E HA 0.580 4.926 4.350 -0.008 0.000 0.278 135 E C -0.860 175.723 176.600 -0.029 0.000 0.972 135 E CA -0.469 55.925 56.400 -0.010 0.000 0.804 135 E CB 1.725 31.421 29.700 -0.007 0.000 1.110 135 E HN 0.610 nan 8.360 nan 0.000 0.394 136 V N 5.518 125.410 119.914 -0.037 0.000 2.439 136 V HA 0.059 4.174 4.120 -0.008 0.000 0.271 136 V C 0.746 176.797 176.094 -0.073 0.000 1.040 136 V CA 0.611 62.859 62.300 -0.085 0.000 1.002 136 V CB 0.166 31.944 31.823 -0.075 0.000 1.000 136 V HN 0.857 nan 8.190 nan 0.000 0.477 137 N N 2.551 121.193 118.700 -0.097 0.000 2.039 137 N HA 0.104 4.839 4.740 -0.008 0.000 0.228 137 N C -0.169 175.335 175.510 -0.010 0.000 1.369 137 N CA -0.411 52.628 53.050 -0.018 0.000 0.806 137 N CB 0.490 38.978 38.487 0.002 0.000 1.190 137 N HN 0.521 nan 8.380 nan 0.000 0.506 138 N N 0.526 119.157 118.700 -0.115 0.000 2.607 138 N HA 0.184 4.920 4.740 -0.008 0.000 0.271 138 N C -0.998 174.434 175.510 -0.130 0.000 1.142 138 N CA -0.483 52.539 53.050 -0.047 0.000 0.810 138 N CB 0.569 39.037 38.487 -0.032 0.000 1.306 138 N HN 0.068 nan 8.380 nan 0.000 0.536 139 Y N 0.660 120.967 120.300 0.012 0.000 2.578 139 Y HA 0.091 4.636 4.550 -0.008 0.000 0.297 139 Y C 1.451 177.351 175.900 -0.000 0.000 1.176 139 Y CA 0.465 58.567 58.100 0.004 0.000 1.315 139 Y CB 0.418 38.877 38.460 -0.000 0.000 1.031 139 Y HN 0.479 nan 8.280 nan 0.000 0.524 140 Q N -0.302 119.552 119.800 0.090 0.000 2.319 140 Q HA 0.037 4.373 4.340 -0.008 0.000 0.202 140 Q C -0.327 175.683 176.000 0.016 0.000 0.896 140 Q CA 0.365 56.200 55.803 0.054 0.000 0.942 140 Q CB 0.383 29.148 28.738 0.045 0.000 1.083 140 Q HN 0.305 nan 8.270 nan 0.000 0.510 141 D N -0.205 120.187 120.400 -0.013 0.000 2.446 141 D HA 0.375 5.010 4.640 -0.008 0.000 0.251 141 D C 0.587 176.854 176.300 -0.055 0.000 1.137 141 D CA -0.304 53.676 54.000 -0.034 0.000 0.890 141 D CB 1.153 41.926 40.800 -0.044 0.000 1.071 141 D HN -0.034 nan 8.370 nan 0.000 0.528 142 A N 3.684 126.485 122.820 -0.031 0.000 1.917 142 A HA -0.204 4.111 4.320 -0.008 0.000 0.219 142 A C 1.637 179.191 177.584 -0.049 0.000 1.182 142 A CA 1.463 53.481 52.037 -0.030 0.000 0.633 142 A CB -0.147 18.849 19.000 -0.007 0.000 0.819 142 A HN 0.543 nan 8.150 nan 0.000 0.448 143 D N -0.567 119.802 120.400 -0.053 0.000 2.178 143 D HA -0.136 4.500 4.640 -0.008 0.000 0.202 143 D C 1.831 178.079 176.300 -0.087 0.000 0.974 143 D CA 1.003 54.961 54.000 -0.069 0.000 0.841 143 D CB -0.434 40.327 40.800 -0.065 0.000 0.953 143 D HN 0.638 nan 8.370 nan 0.000 0.478 144 N N 0.841 119.488 118.700 -0.088 0.000 2.142 144 N HA -0.124 4.611 4.740 -0.008 0.000 0.186 144 N C 1.811 177.251 175.510 -0.115 0.000 1.023 144 N CA 0.876 53.866 53.050 -0.100 0.000 0.852 144 N CB 0.169 38.591 38.487 -0.109 0.000 0.998 144 N HN -0.038 nan 8.380 nan 0.000 0.424 145 V N 1.503 121.323 119.914 -0.156 0.000 2.343 145 V HA -0.154 3.962 4.120 -0.008 0.000 0.247 145 V C 2.435 178.548 176.094 0.031 0.000 1.051 145 V CA 1.600 63.802 62.300 -0.164 0.000 1.036 145 V CB -0.445 31.220 31.823 -0.263 0.000 0.654 145 V HN 0.328 nan 8.190 nan 0.000 0.451 146 R N -0.021 120.477 120.500 -0.004 0.000 2.140 146 R HA 0.056 4.392 4.340 -0.008 0.000 0.213 146 R C 1.732 178.037 176.300 0.008 0.000 1.059 146 R CA 0.936 57.066 56.100 0.050 0.000 1.000 146 R CB -0.151 30.164 30.300 0.025 0.000 0.910 146 R HN 0.478 nan 8.270 nan 0.000 0.455 147 N N -0.569 118.054 118.700 -0.129 0.000 2.299 147 N HA 0.056 4.791 4.740 -0.008 0.000 0.187 147 N C -0.025 175.400 175.510 -0.142 0.000 1.099 147 N CA 0.230 53.059 53.050 -0.369 0.000 0.867 147 N CB 0.420 38.626 38.487 -0.469 0.000 0.974 147 N HN 0.065 nan 8.380 nan 0.000 0.477 148 c N 0.901 119.489 118.600 -0.021 0.000 2.423 148 c HA 0.365 4.931 4.570 -0.008 0.000 0.378 148 c C 0.619 174.748 174.090 0.065 0.000 1.244 148 c CA -1.030 55.313 56.329 0.022 0.000 1.978 148 c CB 1.378 43.878 42.510 -0.016 0.000 2.252 148 c HN 0.286 nan 8.230 nan 0.000 0.526 149 E N 0.990 121.218 120.200 0.047 0.000 2.259 149 E HA 0.267 4.612 4.350 -0.008 0.000 0.281 149 E C -0.821 175.759 176.600 -0.032 0.000 1.037 149 E CA -0.305 56.113 56.400 0.030 0.000 0.854 149 E CB 0.660 30.383 29.700 0.038 0.000 1.051 149 E HN 0.348 nan 8.360 nan 0.000 0.409 150 L N 5.464 126.625 121.223 -0.103 0.000 2.325 150 L HA 0.015 4.350 4.340 -0.008 0.000 0.284 150 L C 0.245 177.015 176.870 -0.166 0.000 1.089 150 L CA -0.077 54.646 54.840 -0.195 0.000 0.836 150 L CB 0.571 42.380 42.059 -0.415 0.000 1.184 150 L HN 0.526 nan 8.230 nan 0.000 0.444 151 V N 3.220 123.069 119.914 -0.108 0.000 5.175 151 V HA -0.204 3.911 4.120 -0.008 0.000 0.279 151 V C 1.106 177.142 176.094 -0.096 0.000 0.571 151 V CA 1.082 63.319 62.300 -0.105 0.000 0.694 151 V CB -2.705 29.032 31.823 -0.142 0.000 0.525 151 V HN 2.112 nan 8.190 nan 0.000 1.093 152 G N -0.450 108.323 108.800 -0.044 0.000 2.184 152 G HA2 -0.263 3.693 3.960 -0.008 0.000 0.264 152 G HA3 -0.263 3.693 3.960 -0.008 0.000 0.264 152 G C 0.065 175.012 174.900 0.078 0.000 0.975 152 G CA 0.232 45.344 45.100 0.020 0.000 0.642 152 G HN 1.516 nan 8.290 nan 0.000 0.536 153 L N 1.790 123.005 121.223 -0.012 0.000 2.361 153 L HA 0.366 4.702 4.340 -0.008 0.000 0.278 153 L C 1.035 177.968 176.870 0.104 0.000 1.113 153 L CA -1.031 53.819 54.840 0.017 0.000 0.849 153 L CB 0.476 42.388 42.059 -0.246 0.000 1.155 153 L HN 0.019 nan 8.230 nan 0.000 0.452 154 R N 2.062 122.651 120.500 0.149 0.000 2.486 154 R HA -0.059 4.277 4.340 -0.008 0.000 0.303 154 R C -0.493 175.983 176.300 0.294 0.000 0.958 154 R CA 0.077 56.212 56.100 0.058 0.000 1.077 154 R CB -0.381 29.740 30.300 -0.298 0.000 0.921 154 R HN 0.480 nan 8.270 nan 0.000 0.406 155 D N 3.031 123.616 120.400 0.309 0.000 2.339 155 D HA 0.149 4.784 4.640 -0.008 0.000 0.241 155 D C 0.057 176.469 176.300 0.187 0.000 1.183 155 D CA -0.290 53.890 54.000 0.300 0.000 0.859 155 D CB 0.526 41.508 40.800 0.303 0.000 1.067 155 D HN 0.273 nan 8.370 nan 0.000 0.484 156 L N 3.346 124.547 121.223 -0.037 0.000 2.483 156 L HA 0.098 4.434 4.340 -0.008 0.000 0.276 156 L C 0.747 177.254 176.870 -0.605 0.000 1.213 156 L CA -0.168 54.388 54.840 -0.474 0.000 0.843 156 L CB 0.321 42.098 42.059 -0.471 0.000 1.107 156 L HN 0.436 nan 8.230 nan 0.000 0.487 157 N N 1.853 120.118 118.700 -0.725 0.000 2.645 157 N HA 0.108 4.844 4.740 -0.008 0.000 0.233 157 N C 0.202 175.519 175.510 -0.320 0.000 1.058 157 N CA -0.267 52.353 53.050 -0.717 0.000 0.942 157 N CB 0.950 39.128 38.487 -0.515 0.000 1.210 157 N HN 0.429 nan 8.380 nan 0.000 0.512 158 Q N 1.157 120.837 119.800 -0.200 0.000 2.515 158 Q HA 0.186 4.521 4.340 -0.008 0.000 0.212 158 Q C 1.642 177.583 176.000 -0.097 0.000 0.970 158 Q CA 0.602 56.320 55.803 -0.142 0.000 0.941 158 Q CB 0.231 28.896 28.738 -0.122 0.000 0.998 158 Q HN 0.698 nan 8.270 nan 0.000 0.518 159 G N -0.294 108.475 108.800 -0.052 0.000 2.551 159 G HA2 -0.095 3.861 3.960 -0.008 0.000 0.216 159 G HA3 -0.095 3.861 3.960 -0.008 0.000 0.216 159 G C 0.560 175.439 174.900 -0.035 0.000 1.137 159 G CA 0.037 45.121 45.100 -0.027 0.000 0.798 159 G HN 0.330 nan 8.290 nan 0.000 0.536 160 S N 0.305 115.976 115.700 -0.048 0.000 2.549 160 S HA 0.138 4.604 4.470 -0.008 0.000 0.279 160 S C 1.035 175.628 174.600 -0.013 0.000 1.321 160 S CA -0.399 57.791 58.200 -0.018 0.000 1.054 160 S CB 0.844 64.037 63.200 -0.010 0.000 0.899 160 S HN 0.157 nan 8.310 nan 0.000 0.497 161 D N 2.836 123.246 120.400 0.016 0.000 2.144 161 D HA -0.078 4.557 4.640 -0.008 0.000 0.199 161 D C 1.298 177.618 176.300 0.032 0.000 0.984 161 D CA 1.330 55.337 54.000 0.011 0.000 0.834 161 D CB -0.322 40.493 40.800 0.025 0.000 0.955 161 D HN 0.794 nan 8.370 nan 0.000 0.465 162 Y N 1.357 121.643 120.300 -0.025 0.000 2.114 162 Y HA -0.226 4.320 4.550 -0.008 0.000 0.284 162 Y C 2.195 178.101 175.900 0.009 0.000 1.143 162 Y CA 1.184 59.281 58.100 -0.004 0.000 1.135 162 Y CB -0.579 37.888 38.460 0.012 0.000 0.980 162 Y HN -0.185 nan 8.280 nan 0.000 0.499 163 V N 1.011 120.864 119.914 -0.101 0.000 2.287 163 V HA -0.345 3.770 4.120 -0.008 0.000 0.248 163 V C 2.451 178.429 176.094 -0.193 0.000 1.053 163 V CA 2.370 64.573 62.300 -0.162 0.000 1.027 163 V CB -0.688 31.038 31.823 -0.162 0.000 0.646 163 V HN 0.351 nan 8.190 nan 0.000 0.447 164 R N 0.139 120.545 120.500 -0.157 0.000 2.091 164 R HA -0.140 4.195 4.340 -0.008 0.000 0.238 164 R C 2.490 178.688 176.300 -0.171 0.000 1.136 164 R CA 1.611 57.617 56.100 -0.156 0.000 0.959 164 R CB -0.912 29.312 30.300 -0.127 0.000 0.856 164 R HN 0.604 nan 8.270 nan 0.000 0.437 165 G N 0.237 108.929 108.800 -0.180 0.000 2.418 165 G HA2 -0.212 3.743 3.960 -0.008 0.000 0.217 165 G HA3 -0.212 3.743 3.960 -0.008 0.000 0.217 165 G C 1.458 176.222 174.900 -0.227 0.000 1.158 165 G CA 0.744 45.739 45.100 -0.175 0.000 0.771 165 G HN 0.141 nan 8.290 nan 0.000 0.545 166 V N 0.977 120.686 119.914 -0.342 0.000 2.343 166 V HA -0.125 3.990 4.120 -0.008 0.000 0.247 166 V C 2.915 178.812 176.094 -0.329 0.000 1.051 166 V CA 1.475 63.563 62.300 -0.353 0.000 1.036 166 V CB -0.409 31.155 31.823 -0.433 0.000 0.654 166 V HN 0.344 nan 8.190 nan 0.000 0.451 167 L N -0.839 120.211 121.223 -0.288 0.000 2.056 167 L HA -0.149 4.187 4.340 -0.008 0.000 0.207 167 L C 2.376 179.126 176.870 -0.199 0.000 1.078 167 L CA 1.584 56.262 54.840 -0.271 0.000 0.749 167 L CB -0.513 41.428 42.059 -0.197 0.000 0.901 167 L HN 0.254 nan 8.230 nan 0.000 0.433 168 I N -0.031 120.435 120.570 -0.173 0.000 2.179 168 I HA -0.302 3.863 4.170 -0.008 0.000 0.242 168 I C 2.165 178.213 176.117 -0.115 0.000 1.088 168 I CA 1.249 62.466 61.300 -0.138 0.000 1.357 168 I CB -0.360 37.574 38.000 -0.109 0.000 1.051 168 I HN 0.271 nan 8.210 nan 0.000 0.409 169 D N 0.033 120.369 120.400 -0.107 0.000 2.123 169 D HA -0.243 4.392 4.640 -0.008 0.000 0.196 169 D C 1.889 178.183 176.300 -0.009 0.000 0.992 169 D CA 1.368 55.331 54.000 -0.061 0.000 0.833 169 D CB -0.431 40.322 40.800 -0.078 0.000 0.954 169 D HN 0.348 nan 8.370 nan 0.000 0.455 170 Y N 1.224 121.396 120.300 -0.213 0.000 2.070 170 Y HA -0.197 4.348 4.550 -0.008 0.000 0.280 170 Y C 2.314 178.172 175.900 -0.071 0.000 1.148 170 Y CA 1.567 59.557 58.100 -0.182 0.000 1.125 170 Y CB -0.628 37.543 38.460 -0.482 0.000 0.975 170 Y HN -0.112 nan 8.280 nan 0.000 0.492 171 M N 0.152 119.494 119.600 -0.431 0.000 2.159 171 M HA -0.224 4.251 4.480 -0.008 0.000 0.263 171 M C 1.830 178.059 176.300 -0.119 0.000 1.063 171 M CA 1.656 56.647 55.300 -0.515 0.000 1.110 171 M CB -0.435 31.701 32.600 -0.772 0.000 1.374 171 M HN 0.245 nan 8.290 nan 0.000 0.411 172 N N -0.333 118.322 118.700 -0.075 0.000 2.188 172 N HA -0.180 4.555 4.740 -0.008 0.000 0.184 172 N C 1.617 177.149 175.510 0.036 0.000 1.018 172 N CA 1.308 54.359 53.050 0.002 0.000 0.858 172 N CB -0.546 37.941 38.487 0.001 0.000 0.989 172 N HN 0.429 nan 8.380 nan 0.000 0.426 173 H N 0.692 119.727 119.070 -0.058 0.000 2.387 173 H HA 0.042 4.594 4.556 -0.008 0.000 0.299 173 H C 1.858 177.151 175.328 -0.059 0.000 1.090 173 H CA 1.508 57.534 56.048 -0.037 0.000 1.332 173 H CB -0.017 29.737 29.762 -0.013 0.000 1.386 173 H HN 0.026 nan 8.280 nan 0.000 0.516 174 M N -0.235 119.252 119.600 -0.189 0.000 2.117 174 M HA -0.105 4.370 4.480 -0.008 0.000 0.262 174 M C 2.527 178.725 176.300 -0.171 0.000 1.065 174 M CA 1.176 56.339 55.300 -0.229 0.000 1.114 174 M CB -0.813 31.719 32.600 -0.113 0.000 1.361 174 M HN 0.358 nan 8.290 nan 0.000 0.408 175 I N 0.311 120.833 120.570 -0.079 0.000 2.226 175 I HA -0.309 3.856 4.170 -0.008 0.000 0.245 175 I C 1.877 177.928 176.117 -0.110 0.000 1.100 175 I CA 1.155 62.388 61.300 -0.111 0.000 1.374 175 I CB -0.549 37.430 38.000 -0.036 0.000 1.057 175 I HN 0.231 nan 8.210 nan 0.000 0.413 176 D N 0.811 121.170 120.400 -0.070 0.000 2.182 176 D HA -0.123 4.513 4.640 -0.008 0.000 0.201 176 D C 2.018 178.306 176.300 -0.020 0.000 0.986 176 D CA 1.212 55.208 54.000 -0.006 0.000 0.847 176 D CB -0.153 40.666 40.800 0.031 0.000 0.942 176 D HN 0.328 nan 8.370 nan 0.000 0.467 177 L N -0.681 120.439 121.223 -0.171 0.000 2.627 177 L HA 0.178 4.514 4.340 -0.008 0.000 0.233 177 L C 1.308 177.819 176.870 -0.598 0.000 1.144 177 L CA 0.326 55.054 54.840 -0.187 0.000 0.892 177 L CB -0.179 41.812 42.059 -0.113 0.000 1.039 177 L HN 0.110 nan 8.230 nan 0.000 0.442 178 G N 0.597 108.959 108.800 -0.730 0.000 2.131 178 G HA2 -0.243 3.713 3.960 -0.008 0.000 0.223 178 G HA3 -0.243 3.713 3.960 -0.008 0.000 0.223 178 G C 0.285 174.944 174.900 -0.402 0.000 0.990 178 G CA 0.106 44.596 45.100 -1.016 0.000 0.671 178 G HN 0.232 nan 8.290 nan 0.000 0.521 179 V N -2.071 117.646 119.914 -0.329 0.000 3.003 179 V HA 0.820 4.935 4.120 -0.008 0.000 0.305 179 V C 1.283 177.150 176.094 -0.378 0.000 1.078 179 V CA 0.651 62.745 62.300 -0.343 0.000 1.083 179 V CB 1.486 33.069 31.823 -0.400 0.000 1.039 179 V HN 1.393 nan 8.190 nan 0.000 0.481 180 A N 2.266 124.841 122.820 -0.409 0.000 2.169 180 A HA 0.768 5.083 4.320 -0.008 0.000 0.210 180 A C 1.189 178.612 177.584 -0.269 0.000 1.168 180 A CA 0.753 52.556 52.037 -0.389 0.000 0.813 180 A CB -0.448 18.413 19.000 -0.232 0.000 0.861 180 A HN 2.081 nan 8.150 nan 0.000 0.481 181 G N -1.958 106.615 108.800 -0.378 0.000 2.325 181 G HA2 0.461 4.417 3.960 -0.008 0.000 0.295 181 G HA3 0.461 4.417 3.960 -0.008 0.000 0.295 181 G C -1.647 172.874 174.900 -0.631 0.000 1.274 181 G CA -0.703 44.253 45.100 -0.240 0.000 0.857 181 G HN 0.233 nan 8.290 nan 0.000 0.499 182 F N -0.163 119.826 119.950 0.066 0.000 2.591 182 F HA 0.677 5.199 4.527 -0.007 0.000 0.309 182 F C 0.218 175.738 175.800 -0.466 0.000 1.098 182 F CA -0.879 57.054 58.000 -0.113 0.000 0.937 182 F CB 2.454 41.348 39.000 -0.176 0.000 1.250 182 F HN 0.430 nan 8.300 nan 0.000 0.447 183 R N 2.422 122.688 120.500 -0.390 0.000 2.207 183 R HA 0.577 4.913 4.340 -0.008 0.000 0.334 183 R C -1.642 174.509 176.300 -0.248 0.000 1.013 183 R CA -0.308 55.269 56.100 -0.871 0.000 0.858 183 R CB 1.080 31.010 30.300 -0.617 0.000 1.094 183 R HN 0.590 nan 8.270 nan 0.000 0.457 184 V N 5.128 124.929 119.914 -0.189 0.000 2.353 184 V HA 0.025 4.140 4.120 -0.008 0.000 0.264 184 V C 0.299 176.447 176.094 0.090 0.000 1.049 184 V CA -0.523 61.797 62.300 0.033 0.000 0.896 184 V CB 0.864 32.773 31.823 0.142 0.000 1.025 184 V HN 0.740 nan 8.190 nan 0.000 0.475 185 D N 4.662 125.154 120.400 0.154 0.000 2.414 185 D HA 0.398 5.033 4.640 -0.008 0.000 0.242 185 D C 0.940 177.370 176.300 0.216 0.000 1.129 185 D CA 0.735 54.865 54.000 0.217 0.000 0.885 185 D CB 0.850 41.845 40.800 0.325 0.000 1.198 185 D HN 1.030 nan 8.370 nan 0.000 0.437 186 A N 2.811 125.767 122.820 0.226 0.000 2.640 186 A HA -0.159 4.157 4.320 -0.008 0.000 0.300 186 A C 1.645 179.373 177.584 0.239 0.000 1.499 186 A CA 1.273 53.480 52.037 0.284 0.000 0.759 186 A CB -2.033 17.184 19.000 0.363 0.000 1.048 186 A HN 0.848 nan 8.150 nan 0.000 0.450 187 A N -0.220 122.673 122.820 0.122 0.000 1.972 187 A HA -0.118 4.198 4.320 -0.008 0.000 0.219 187 A C 1.927 179.501 177.584 -0.016 0.000 1.169 187 A CA 2.162 54.244 52.037 0.074 0.000 0.635 187 A CB -0.316 18.673 19.000 -0.019 0.000 0.810 187 A HN 0.919 nan 8.150 nan 0.000 0.446 188 K N -0.759 119.554 120.400 -0.146 0.000 2.152 188 K HA -0.183 4.132 4.320 -0.008 0.000 0.206 188 K C 1.172 177.703 176.600 -0.116 0.000 1.048 188 K CA 1.456 57.636 56.287 -0.178 0.000 0.933 188 K CB -0.249 32.098 32.500 -0.256 0.000 0.721 188 K HN 0.667 nan 8.250 nan 0.000 0.447 189 H N -0.426 118.724 119.070 0.134 0.000 2.547 189 H HA 0.154 4.706 4.556 -0.008 0.000 0.274 189 H C 0.028 175.447 175.328 0.152 0.000 1.024 189 H CA 0.445 56.575 56.048 0.136 0.000 1.155 189 H CB -0.005 29.840 29.762 0.140 0.000 1.344 189 H HN 0.206 nan 8.280 nan 0.000 0.598 190 M N -0.322 119.420 119.600 0.237 0.000 2.619 190 M HA 0.268 4.743 4.480 -0.008 0.000 0.297 190 M C -0.055 176.359 176.300 0.189 0.000 1.229 190 M CA -0.721 54.697 55.300 0.197 0.000 0.860 190 M CB 2.535 35.232 32.600 0.162 0.000 1.741 190 M HN -0.232 nan 8.290 nan 0.000 0.462 191 S N 1.793 117.546 115.700 0.088 0.000 2.489 191 S HA 0.221 4.686 4.470 -0.008 0.000 0.277 191 S C -1.950 172.624 174.600 -0.043 0.000 1.230 191 S CA -1.144 57.069 58.200 0.021 0.000 1.053 191 S CB 0.868 64.062 63.200 -0.010 0.000 0.955 191 S HN 0.423 nan 8.310 nan 0.000 0.488 192 P HA -0.109 nan 4.420 nan 0.000 0.216 192 P C 1.646 178.851 177.300 -0.159 0.000 1.150 192 P CA 0.988 64.057 63.100 -0.052 0.000 0.843 192 P CB -0.033 31.598 31.700 -0.116 0.000 0.787 193 G N -0.264 108.465 108.800 -0.119 0.000 2.418 193 G HA2 -0.245 3.710 3.960 -0.008 0.000 0.217 193 G HA3 -0.245 3.710 3.960 -0.008 0.000 0.217 193 G C 1.269 176.041 174.900 -0.214 0.000 1.158 193 G CA 0.956 45.975 45.100 -0.134 0.000 0.771 193 G HN 0.195 nan 8.290 nan 0.000 0.545 194 D N 0.437 120.711 120.400 -0.209 0.000 2.123 194 D HA -0.018 4.617 4.640 -0.008 0.000 0.200 194 D C 2.722 178.770 176.300 -0.419 0.000 0.976 194 D CA 0.342 54.199 54.000 -0.237 0.000 0.831 194 D CB -0.231 40.474 40.800 -0.157 0.000 0.974 194 D HN 0.279 nan 8.370 nan 0.000 0.469 195 L N 1.318 122.205 121.223 -0.560 0.000 2.042 195 L HA -0.192 4.143 4.340 -0.008 0.000 0.210 195 L C 2.643 178.679 176.870 -1.391 0.000 1.076 195 L CA 1.403 55.602 54.840 -1.069 0.000 0.749 195 L CB -0.624 40.882 42.059 -0.921 0.000 0.893 195 L HN 0.069 nan 8.230 nan 0.000 0.432 196 S N -0.710 114.288 115.700 -1.169 0.000 2.368 196 S HA -0.147 4.318 4.470 -0.008 0.000 0.225 196 S C 1.926 176.276 174.600 -0.416 0.000 1.030 196 S CA 1.249 58.943 58.200 -0.843 0.000 0.999 196 S CB -0.907 61.993 63.200 -0.499 0.000 0.844 196 S HN 0.183 nan 8.310 nan 0.000 0.459 197 V N 2.299 121.998 119.914 -0.358 0.000 2.295 197 V HA -0.126 3.989 4.120 -0.008 0.000 0.246 197 V C 2.459 178.426 176.094 -0.213 0.000 1.049 197 V CA 1.817 63.985 62.300 -0.220 0.000 1.024 197 V CB -0.790 30.922 31.823 -0.184 0.000 0.648 197 V HN 0.465 nan 8.190 nan 0.000 0.447 198 I N -0.771 119.606 120.570 -0.323 0.000 2.142 198 I HA -0.235 3.931 4.170 -0.008 0.000 0.240 198 I C 2.382 178.456 176.117 -0.071 0.000 1.078 198 I CA 1.687 62.837 61.300 -0.250 0.000 1.343 198 I CB -0.463 37.318 38.000 -0.365 0.000 1.046 198 I HN 0.208 nan 8.210 nan 0.000 0.405 199 F N 0.874 120.705 119.950 -0.198 0.000 2.171 199 F HA -0.173 4.349 4.527 -0.007 0.000 0.300 199 F C 2.829 178.575 175.800 -0.090 0.000 1.090 199 F CA 0.952 58.866 58.000 -0.144 0.000 1.293 199 F CB -1.582 37.336 39.000 -0.137 0.000 1.013 199 F HN 0.001 nan 8.300 nan 0.000 0.486 200 S N -0.264 115.483 115.700 0.078 0.000 2.423 200 S HA -0.072 4.394 4.470 -0.008 0.000 0.231 200 S C 2.318 176.928 174.600 0.017 0.000 1.014 200 S CA 1.014 59.237 58.200 0.038 0.000 0.965 200 S CB -0.758 62.440 63.200 -0.003 0.000 0.785 200 S HN 0.467 nan 8.310 nan 0.000 0.495 201 G N 0.714 109.512 108.800 -0.002 0.000 2.920 201 G HA2 0.204 4.160 3.960 -0.008 0.000 0.208 201 G HA3 0.204 4.160 3.960 -0.008 0.000 0.208 201 G C 0.310 175.206 174.900 -0.007 0.000 1.159 201 G CA -0.186 44.904 45.100 -0.016 0.000 0.784 201 G HN 0.338 nan 8.290 nan 0.000 0.535 202 L N 1.438 122.668 121.223 0.012 0.000 2.397 202 L HA 0.258 4.593 4.340 -0.008 0.000 0.271 202 L C 0.918 177.796 176.870 0.013 0.000 1.148 202 L CA -0.619 54.227 54.840 0.011 0.000 0.825 202 L CB 0.906 42.985 42.059 0.033 0.000 1.117 202 L HN 0.220 nan 8.230 nan 0.000 0.456 203 K N 1.786 122.191 120.400 0.008 0.000 2.120 203 K HA 0.241 4.556 4.320 -0.008 0.000 0.245 203 K C -0.370 176.224 176.600 -0.011 0.000 1.024 203 K CA -0.881 55.407 56.287 0.003 0.000 0.906 203 K CB 0.570 33.073 32.500 0.005 0.000 1.051 203 K HN 0.341 nan 8.250 nan 0.000 0.491 204 N N 0.657 119.348 118.700 -0.014 0.000 2.415 204 N HA 0.102 4.837 4.740 -0.008 0.000 0.248 204 N C 0.052 175.517 175.510 -0.074 0.000 1.271 204 N CA -0.259 52.768 53.050 -0.037 0.000 0.913 204 N CB 0.164 38.643 38.487 -0.015 0.000 1.129 204 N HN 0.426 nan 8.380 nan 0.000 0.444 205 L N 1.137 122.262 121.223 -0.164 0.000 2.483 205 L HA 0.045 4.380 4.340 -0.008 0.000 0.275 205 L C 1.086 177.919 176.870 -0.062 0.000 1.220 205 L CA -0.274 54.388 54.840 -0.297 0.000 0.833 205 L CB 0.081 41.637 42.059 -0.839 0.000 1.102 205 L HN 0.448 nan 8.230 nan 0.000 0.490 206 N N 1.126 119.857 118.700 0.052 0.000 2.406 206 N HA -0.029 4.707 4.740 -0.008 0.000 0.265 206 N C 1.091 176.827 175.510 0.377 0.000 1.203 206 N CA 0.110 53.300 53.050 0.234 0.000 0.945 206 N CB 0.994 39.678 38.487 0.328 0.000 1.165 206 N HN 0.674 nan 8.380 nan 0.000 0.485 207 T N -0.242 114.452 114.554 0.234 0.000 2.977 207 T HA -0.105 4.241 4.350 -0.008 0.000 0.271 207 T C 0.874 175.648 174.700 0.123 0.000 1.105 207 T CA 0.844 63.063 62.100 0.198 0.000 1.116 207 T CB 0.044 68.980 68.868 0.114 0.000 0.878 207 T HN 0.321 nan 8.240 nan 0.000 0.509 208 D N 0.475 120.931 120.400 0.093 0.000 2.350 208 D HA -0.017 4.618 4.640 -0.008 0.000 0.216 208 D C 0.516 176.682 176.300 -0.224 0.000 0.968 208 D CA 0.787 54.738 54.000 -0.081 0.000 0.894 208 D CB -0.195 40.516 40.800 -0.147 0.000 0.909 208 D HN 0.588 nan 8.370 nan 0.000 0.520 209 Y N -0.584 119.727 120.300 0.018 0.000 2.524 209 Y HA 0.312 4.857 4.550 -0.008 0.000 0.266 209 Y C 1.775 177.505 175.900 -0.284 0.000 1.180 209 Y CA 0.067 58.113 58.100 -0.090 0.000 1.244 209 Y CB 0.792 39.244 38.460 -0.013 0.000 1.125 209 Y HN -0.004 nan 8.280 nan 0.000 0.524 210 G N -0.709 108.035 108.800 -0.093 0.000 2.175 210 G HA2 -0.289 3.666 3.960 -0.008 0.000 0.244 210 G HA3 -0.289 3.666 3.960 -0.008 0.000 0.244 210 G C 0.022 174.810 174.900 -0.186 0.000 0.982 210 G CA -0.482 44.516 45.100 -0.169 0.000 0.641 210 G HN 0.157 nan 8.290 nan 0.000 0.527 211 F N 1.716 121.690 119.950 0.040 0.000 2.450 211 F HA 0.631 5.153 4.527 -0.008 0.000 0.339 211 F C 1.192 177.002 175.800 0.016 0.000 1.146 211 F CA 0.015 58.028 58.000 0.022 0.000 1.267 211 F CB 0.761 39.773 39.000 0.019 0.000 1.178 211 F HN 0.324 nan 8.300 nan 0.000 0.585 212 A N 1.953 124.908 122.820 0.225 0.000 2.406 212 A HA 0.122 4.438 4.320 -0.008 0.000 0.243 212 A C 0.035 177.685 177.584 0.110 0.000 1.082 212 A CA -0.685 51.425 52.037 0.122 0.000 0.786 212 A CB -0.021 19.032 19.000 0.089 0.000 1.029 212 A HN 0.698 nan 8.150 nan 0.000 0.495 213 D N 0.201 120.643 120.400 0.071 0.000 2.455 213 D HA 0.334 4.970 4.640 -0.008 0.000 0.241 213 D C 1.340 177.665 176.300 0.041 0.000 1.138 213 D CA 1.988 56.020 54.000 0.054 0.000 0.877 213 D CB 0.784 41.608 40.800 0.039 0.000 1.187 213 D HN 1.080 nan 8.370 nan 0.000 0.451 214 G N 1.581 110.400 108.800 0.031 0.000 2.162 214 G HA2 -0.248 3.708 3.960 -0.008 0.000 0.260 214 G HA3 -0.248 3.708 3.960 -0.008 0.000 0.260 214 G C 0.504 175.410 174.900 0.009 0.000 0.976 214 G CA 0.346 45.458 45.100 0.019 0.000 0.655 214 G HN 0.823 nan 8.290 nan 0.000 0.533 215 A N 0.315 123.139 122.820 0.007 0.000 2.477 215 A HA 0.624 4.939 4.320 -0.008 0.000 0.246 215 A C 0.800 178.343 177.584 -0.068 0.000 1.078 215 A CA 0.239 52.262 52.037 -0.023 0.000 0.770 215 A CB 0.326 19.315 19.000 -0.018 0.000 1.011 215 A HN 0.370 nan 8.150 nan 0.000 0.494 216 R N 2.476 122.947 120.500 -0.048 0.000 2.532 216 R HA 0.453 4.788 4.340 -0.008 0.000 0.295 216 R C -2.792 173.481 176.300 -0.045 0.000 0.968 216 R CA -2.438 53.641 56.100 -0.035 0.000 0.916 216 R CB 0.888 31.195 30.300 0.012 0.000 1.124 216 R HN 0.533 nan 8.270 nan 0.000 0.463 217 P HA -0.040 nan 4.420 nan 0.000 0.265 217 P C -0.351 177.011 177.300 0.103 0.000 1.193 217 P CA -0.086 63.003 63.100 -0.017 0.000 0.765 217 P CB 0.291 32.025 31.700 0.056 0.000 0.823 218 F N 5.041 124.978 119.950 -0.021 0.000 2.495 218 F HA 0.226 4.749 4.527 -0.007 0.000 0.365 218 F C -0.081 175.768 175.800 0.081 0.000 1.090 218 F CA -0.552 57.465 58.000 0.027 0.000 1.235 218 F CB 0.072 39.112 39.000 0.068 0.000 1.119 218 F HN 0.128 nan 8.300 nan 0.000 0.562 219 I N 8.630 128.953 120.570 -0.411 0.000 2.410 219 I HA 0.191 4.357 4.170 -0.008 0.000 0.286 219 I C -1.168 174.637 176.117 -0.521 0.000 1.009 219 I CA -0.783 60.259 61.300 -0.431 0.000 1.111 219 I CB 0.943 38.667 38.000 -0.461 0.000 1.262 219 I HN 0.546 nan 8.210 nan 0.000 0.443 220 Y N 3.744 123.691 120.300 -0.588 0.000 2.346 220 Y HA 0.716 5.261 4.550 -0.007 0.000 0.332 220 Y C -0.749 175.061 175.900 -0.149 0.000 0.985 220 Y CA -1.208 56.637 58.100 -0.426 0.000 1.112 220 Y CB 1.000 39.152 38.460 -0.514 0.000 1.170 220 Y HN 0.509 nan 8.280 nan 0.000 0.447 221 Q N 2.717 122.532 119.800 0.025 0.000 2.271 221 Q HA 0.243 4.578 4.340 -0.008 0.000 0.258 221 Q C -0.809 175.243 176.000 0.085 0.000 0.936 221 Q CA -0.861 54.972 55.803 0.050 0.000 0.909 221 Q CB 2.469 31.287 28.738 0.134 0.000 1.253 221 Q HN 0.769 nan 8.270 nan 0.000 0.440 222 E N 2.926 123.181 120.200 0.092 0.000 2.003 222 E HA 0.170 4.515 4.350 -0.008 0.000 0.279 222 E C -1.264 175.372 176.600 0.060 0.000 1.132 222 E CA -0.205 56.312 56.400 0.196 0.000 0.888 222 E CB 0.451 30.268 29.700 0.196 0.000 1.056 222 E HN 0.322 nan 8.360 nan 0.000 0.399 223 V N 7.570 127.524 119.914 0.068 0.000 2.340 223 V HA 0.234 4.349 4.120 -0.008 0.000 0.277 223 V C 0.140 176.186 176.094 -0.078 0.000 1.017 223 V CA -0.603 61.619 62.300 -0.130 0.000 0.820 223 V CB 0.992 32.632 31.823 -0.305 0.000 1.028 223 V HN 0.643 nan 8.190 nan 0.000 0.436 224 I N 3.996 124.377 120.570 -0.314 0.000 2.460 224 I HA 0.197 4.362 4.170 -0.008 0.000 0.297 224 I C -0.094 175.900 176.117 -0.205 0.000 1.139 224 I CA 0.544 61.514 61.300 -0.550 0.000 1.340 224 I CB 0.149 37.726 38.000 -0.705 0.000 1.444 224 I HN 0.522 nan 8.210 nan 0.000 0.557 225 D N 7.564 127.937 120.400 -0.044 0.000 2.440 225 D HA 0.296 4.931 4.640 -0.008 0.000 0.252 225 D C -0.007 176.323 176.300 0.051 0.000 1.180 225 D CA -0.378 53.627 54.000 0.010 0.000 0.894 225 D CB 1.163 41.994 40.800 0.051 0.000 1.111 225 D HN 0.381 nan 8.370 nan 0.000 0.544 226 L N 3.049 124.282 121.223 0.018 0.000 2.872 226 L HA 0.481 4.817 4.340 -0.008 0.000 0.245 226 L C 1.077 177.962 176.870 0.025 0.000 1.211 226 L CA -0.144 54.719 54.840 0.038 0.000 1.013 226 L CB -0.271 41.803 42.059 0.024 0.000 1.326 226 L HN 0.649 nan 8.230 nan 0.000 0.525 227 G N -0.559 108.255 108.800 0.024 0.000 2.781 227 G HA2 0.056 4.011 3.960 -0.008 0.000 0.683 227 G HA3 0.056 4.011 3.960 -0.008 0.000 0.683 227 G C 0.531 175.439 174.900 0.013 0.000 1.390 227 G CA -0.381 44.731 45.100 0.021 0.000 0.850 227 G HN 0.581 nan 8.290 nan 0.000 0.557 228 G N -0.560 108.250 108.800 0.016 0.000 2.249 228 G HA2 -0.020 3.936 3.960 -0.008 0.000 0.273 228 G HA3 -0.020 3.936 3.960 -0.008 0.000 0.273 228 G C 0.194 175.111 174.900 0.027 0.000 1.036 228 G CA 1.797 46.907 45.100 0.017 0.000 0.824 228 G HN 1.154 nan 8.290 nan 0.000 0.504 229 E N -1.743 118.481 120.200 0.039 0.000 2.410 229 E HA 0.685 5.030 4.350 -0.008 0.000 0.269 229 E C 1.227 177.865 176.600 0.063 0.000 0.937 229 E CA -0.546 55.893 56.400 0.066 0.000 0.793 229 E CB 1.290 31.038 29.700 0.080 0.000 1.314 229 E HN 0.366 nan 8.360 nan 0.000 0.447 230 A N 0.994 123.858 122.820 0.073 0.000 2.015 230 A HA 0.041 4.357 4.320 -0.008 0.000 0.219 230 A C 0.872 178.490 177.584 0.057 0.000 1.163 230 A CA 0.915 52.983 52.037 0.051 0.000 0.646 230 A CB -0.260 18.762 19.000 0.036 0.000 0.806 230 A HN 0.438 nan 8.150 nan 0.000 0.448 231 I N -0.348 120.269 120.570 0.080 0.000 2.437 231 I HA 0.349 4.514 4.170 -0.008 0.000 0.298 231 I C 0.175 176.362 176.117 0.116 0.000 0.984 231 I CA -0.369 60.995 61.300 0.107 0.000 1.214 231 I CB 1.964 40.043 38.000 0.132 0.000 1.365 231 I HN 0.098 nan 8.210 nan 0.000 0.469 232 S N 4.076 119.863 115.700 0.145 0.000 2.513 232 S HA 0.306 4.771 4.470 -0.008 0.000 0.299 232 S C 0.853 175.583 174.600 0.218 0.000 1.087 232 S CA -0.905 57.375 58.200 0.134 0.000 1.012 232 S CB 1.400 64.653 63.200 0.088 0.000 1.044 232 S HN 0.739 nan 8.310 nan 0.000 0.485 233 K N 3.291 123.791 120.400 0.166 0.000 2.211 233 K HA -0.146 4.169 4.320 -0.008 0.000 0.204 233 K C 1.048 177.772 176.600 0.207 0.000 1.047 233 K CA 1.979 58.377 56.287 0.185 0.000 0.935 233 K CB -0.625 31.952 32.500 0.128 0.000 0.728 233 K HN 0.626 nan 8.250 nan 0.000 0.452 234 N N 1.360 120.137 118.700 0.129 0.000 2.443 234 N HA -0.113 4.623 4.740 -0.008 0.000 0.184 234 N C 1.060 176.584 175.510 0.024 0.000 1.037 234 N CA 1.042 54.131 53.050 0.065 0.000 0.896 234 N CB 0.046 38.556 38.487 0.038 0.000 0.959 234 N HN 0.415 nan 8.380 nan 0.000 0.442 235 E N -0.571 119.662 120.200 0.055 0.000 2.347 235 E HA -0.111 4.234 4.350 -0.008 0.000 0.196 235 E C 0.440 176.817 176.600 -0.373 0.000 1.008 235 E CA 0.709 57.026 56.400 -0.139 0.000 0.852 235 E CB 0.106 29.688 29.700 -0.197 0.000 0.783 235 E HN 0.601 nan 8.360 nan 0.000 0.505 236 Y N -0.477 119.727 120.300 -0.161 0.000 2.444 236 Y HA 0.024 4.569 4.550 -0.008 0.000 0.249 236 Y C 2.408 177.972 175.900 -0.560 0.000 1.134 236 Y CA 0.715 58.603 58.100 -0.354 0.000 1.261 236 Y CB 0.277 38.713 38.460 -0.040 0.000 1.143 236 Y HN 0.044 nan 8.280 nan 0.000 0.523 237 T N -3.495 110.936 114.554 -0.205 0.000 3.113 237 T HA -0.015 4.330 4.350 -0.008 0.000 0.263 237 T C 2.163 176.715 174.700 -0.247 0.000 1.143 237 T CA 0.946 62.944 62.100 -0.170 0.000 1.090 237 T CB -0.436 68.394 68.868 -0.062 0.000 0.922 237 T HN 0.359 nan 8.240 nan 0.000 0.521 238 G N 1.506 110.053 108.800 -0.423 0.000 2.422 238 G HA2 0.060 4.015 3.960 -0.008 0.000 0.218 238 G HA3 0.060 4.015 3.960 -0.008 0.000 0.218 238 G C 0.800 175.625 174.900 -0.125 0.000 1.140 238 G CA 0.530 45.477 45.100 -0.256 0.000 0.775 238 G HN 0.735 nan 8.290 nan 0.000 0.545 239 F N -0.759 119.257 119.950 0.109 0.000 2.764 239 F HA 0.655 5.178 4.527 -0.008 0.000 0.310 239 F C 0.506 176.383 175.800 0.128 0.000 1.124 239 F CA -1.427 56.660 58.000 0.144 0.000 1.252 239 F CB 0.250 39.380 39.000 0.218 0.000 1.010 239 F HN 0.240 nan 8.300 nan 0.000 0.518 240 G N -0.805 108.065 108.800 0.115 0.000 2.321 240 G HA2 0.287 4.242 3.960 -0.008 0.000 0.298 240 G HA3 0.287 4.242 3.960 -0.008 0.000 0.298 240 G C -1.470 173.425 174.900 -0.007 0.000 1.385 240 G CA -0.882 44.252 45.100 0.057 0.000 0.856 240 G HN 0.189 nan 8.290 nan 0.000 0.584 241 C N -0.842 118.417 119.300 -0.068 0.000 2.580 241 C HA 0.722 5.177 4.460 -0.008 0.000 0.371 241 C C 0.753 175.750 174.990 0.012 0.000 1.308 241 C CA -0.241 58.754 59.018 -0.038 0.000 2.428 241 C CB 0.761 28.461 27.740 -0.067 0.000 2.529 241 C HN 0.622 nan 8.230 nan 0.000 0.657 242 V N 2.266 122.210 119.914 0.050 0.000 2.656 242 V HA 0.337 4.453 4.120 -0.008 0.000 0.307 242 V C -0.299 175.879 176.094 0.139 0.000 1.051 242 V CA -0.447 61.913 62.300 0.100 0.000 0.893 242 V CB 1.680 33.564 31.823 0.102 0.000 0.999 242 V HN 0.647 nan 8.190 nan 0.000 0.426 243 L N 3.412 124.761 121.223 0.209 0.000 2.477 243 L HA 0.248 4.584 4.340 -0.008 0.000 0.272 243 L C 0.496 177.537 176.870 0.286 0.000 1.157 243 L CA 0.146 55.143 54.840 0.262 0.000 0.889 243 L CB 0.370 42.581 42.059 0.254 0.000 1.158 243 L HN 0.646 nan 8.230 nan 0.000 0.473 244 E N 3.094 123.398 120.200 0.172 0.000 1.996 244 E HA 0.107 4.453 4.350 -0.008 0.000 0.280 244 E C 0.119 176.687 176.600 -0.054 0.000 1.092 244 E CA 0.096 56.569 56.400 0.122 0.000 0.862 244 E CB 0.308 30.081 29.700 0.121 0.000 1.066 244 E HN 0.337 nan 8.360 nan 0.000 0.396 245 F N 2.375 122.391 119.950 0.110 0.000 2.367 245 F HA -0.015 4.507 4.527 -0.007 0.000 0.298 245 F C 2.105 177.930 175.800 0.042 0.000 1.094 245 F CA 0.479 58.517 58.000 0.063 0.000 1.409 245 F CB 0.024 39.110 39.000 0.143 0.000 1.064 245 F HN 0.456 nan 8.300 nan 0.000 0.528 246 Q N 0.152 120.086 119.800 0.224 0.000 2.170 246 Q HA -0.206 4.130 4.340 -0.008 0.000 0.203 246 Q C 2.018 178.110 176.000 0.153 0.000 0.976 246 Q CA 1.458 57.358 55.803 0.161 0.000 0.858 246 Q CB -0.719 28.092 28.738 0.121 0.000 0.907 246 Q HN 0.426 nan 8.270 nan 0.000 0.433 247 F N -0.361 119.570 119.950 -0.033 0.000 2.043 247 F HA -0.146 4.376 4.527 -0.008 0.000 0.297 247 F C 1.912 177.744 175.800 0.054 0.000 1.121 247 F CA 2.322 60.335 58.000 0.022 0.000 1.199 247 F CB -0.786 38.178 39.000 -0.060 0.000 0.968 247 F HN 0.173 nan 8.300 nan 0.000 0.478 248 G N -0.467 108.419 108.800 0.144 0.000 2.422 248 G HA2 -0.170 3.785 3.960 -0.008 0.000 0.218 248 G HA3 -0.170 3.785 3.960 -0.008 0.000 0.218 248 G C 1.709 176.635 174.900 0.045 0.000 1.140 248 G CA 1.024 46.153 45.100 0.048 0.000 0.775 248 G HN 0.377 nan 8.290 nan 0.000 0.545 249 V N 1.038 120.999 119.914 0.079 0.000 2.307 249 V HA -0.171 3.945 4.120 -0.008 0.000 0.245 249 V C 3.115 179.252 176.094 0.071 0.000 1.045 249 V CA 2.257 64.609 62.300 0.087 0.000 1.024 249 V CB -0.527 31.361 31.823 0.108 0.000 0.651 249 V HN 0.363 nan 8.190 nan 0.000 0.449 250 S N -0.196 115.564 115.700 0.099 0.000 2.368 250 S HA -0.089 4.377 4.470 -0.008 0.000 0.225 250 S C 1.921 176.478 174.600 -0.072 0.000 1.030 250 S CA 1.397 59.678 58.200 0.136 0.000 0.999 250 S CB -0.311 63.097 63.200 0.347 0.000 0.844 250 S HN 0.412 nan 8.310 nan 0.000 0.459 251 L N 0.843 121.925 121.223 -0.235 0.000 2.056 251 L HA -0.048 4.287 4.340 -0.008 0.000 0.207 251 L C 2.727 179.546 176.870 -0.086 0.000 1.078 251 L CA 1.213 55.823 54.840 -0.384 0.000 0.749 251 L CB -1.120 40.617 42.059 -0.537 0.000 0.901 251 L HN 0.442 nan 8.230 nan 0.000 0.433 252 G N -0.045 108.742 108.800 -0.021 0.000 2.440 252 G HA2 -0.365 3.590 3.960 -0.008 0.000 0.218 252 G HA3 -0.365 3.590 3.960 -0.008 0.000 0.218 252 G C 1.310 176.232 174.900 0.036 0.000 1.154 252 G CA 1.189 46.319 45.100 0.051 0.000 0.767 252 G HN 0.401 nan 8.290 nan 0.000 0.552 253 N N 0.936 119.641 118.700 0.008 0.000 2.080 253 N HA 0.020 4.756 4.740 -0.008 0.000 0.189 253 N C 2.427 177.906 175.510 -0.051 0.000 1.036 253 N CA 1.848 54.897 53.050 -0.001 0.000 0.846 253 N CB -0.412 38.088 38.487 0.021 0.000 1.015 253 N HN 0.232 nan 8.380 nan 0.000 0.423 254 A N -0.267 122.478 122.820 -0.125 0.000 1.865 254 A HA -0.085 4.231 4.320 -0.008 0.000 0.217 254 A C 1.906 179.258 177.584 -0.387 0.000 1.191 254 A CA 1.263 53.124 52.037 -0.293 0.000 0.623 254 A CB -1.217 17.478 19.000 -0.509 0.000 0.826 254 A HN 0.425 nan 8.150 nan 0.000 0.444 255 F N 0.004 119.821 119.950 -0.221 0.000 2.699 255 F HA -0.022 4.500 4.527 -0.009 0.000 0.298 255 F C 2.219 177.971 175.800 -0.080 0.000 1.154 255 F CA 1.111 59.012 58.000 -0.166 0.000 1.457 255 F CB 0.022 38.920 39.000 -0.171 0.000 1.106 255 F HN 0.323 nan 8.300 nan 0.000 0.585 256 Q N -0.540 119.286 119.800 0.043 0.000 2.220 256 Q HA 0.238 4.573 4.340 -0.008 0.000 0.205 256 Q C 1.489 177.482 176.000 -0.011 0.000 0.865 256 Q CA 0.435 56.258 55.803 0.034 0.000 0.960 256 Q CB 0.549 29.308 28.738 0.035 0.000 1.097 256 Q HN 0.426 nan 8.270 nan 0.000 0.493 257 G N 0.214 108.979 108.800 -0.058 0.000 2.143 257 G HA2 -0.283 3.673 3.960 -0.008 0.000 0.249 257 G HA3 -0.283 3.673 3.960 -0.008 0.000 0.249 257 G C 0.666 175.529 174.900 -0.062 0.000 0.981 257 G CA 0.060 45.118 45.100 -0.069 0.000 0.665 257 G HN 0.521 nan 8.290 nan 0.000 0.528 258 G N -0.611 108.154 108.800 -0.058 0.000 2.848 258 G HA2 0.358 4.314 3.960 -0.008 0.000 0.208 258 G HA3 0.358 4.314 3.960 -0.008 0.000 0.208 258 G C 0.381 175.253 174.900 -0.048 0.000 1.152 258 G CA 0.896 45.971 45.100 -0.040 0.000 0.789 258 G HN 0.737 nan 8.290 nan 0.000 0.531 259 N N -1.468 117.185 118.700 -0.078 0.000 2.710 259 N HA 0.221 4.956 4.740 -0.008 0.000 0.257 259 N C -1.267 174.169 175.510 -0.122 0.000 1.327 259 N CA -0.653 52.355 53.050 -0.070 0.000 0.861 259 N CB 1.421 39.901 38.487 -0.012 0.000 1.532 259 N HN -0.025 nan 8.380 nan 0.000 0.499 260 Q N 1.814 121.555 119.800 -0.097 0.000 2.261 260 Q HA 0.293 4.628 4.340 -0.008 0.000 0.252 260 Q C 1.000 176.903 176.000 -0.162 0.000 0.915 260 Q CA -0.272 55.457 55.803 -0.122 0.000 0.915 260 Q CB 1.725 30.416 28.738 -0.079 0.000 1.204 260 Q HN 0.555 nan 8.270 nan 0.000 0.421 261 L N 2.510 123.583 121.223 -0.249 0.000 2.127 261 L HA -0.273 4.062 4.340 -0.008 0.000 0.211 261 L C 2.053 178.866 176.870 -0.095 0.000 1.089 261 L CA 1.561 56.202 54.840 -0.331 0.000 0.757 261 L CB -0.598 41.223 42.059 -0.397 0.000 0.899 261 L HN 0.678 nan 8.230 nan 0.000 0.434 262 K N -0.509 119.880 120.400 -0.018 0.000 2.211 262 K HA -0.168 4.148 4.320 -0.008 0.000 0.204 262 K C 1.521 178.227 176.600 0.177 0.000 1.047 262 K CA 1.545 57.911 56.287 0.132 0.000 0.935 262 K CB -0.448 32.071 32.500 0.031 0.000 0.728 262 K HN 0.211 nan 8.250 nan 0.000 0.452 263 N N 0.787 119.546 118.700 0.099 0.000 2.459 263 N HA -0.034 4.701 4.740 -0.008 0.000 0.181 263 N C 1.175 176.876 175.510 0.320 0.000 1.046 263 N CA 0.784 53.940 53.050 0.175 0.000 0.904 263 N CB -0.063 38.531 38.487 0.180 0.000 0.964 263 N HN 0.285 nan 8.380 nan 0.000 0.444 264 L N 0.315 121.609 121.223 0.118 0.000 2.610 264 L HA 0.084 4.419 4.340 -0.008 0.000 0.232 264 L C 2.132 178.929 176.870 -0.120 0.000 1.149 264 L CA -0.075 54.721 54.840 -0.073 0.000 0.872 264 L CB -0.354 41.437 42.059 -0.447 0.000 0.992 264 L HN 0.060 nan 8.230 nan 0.000 0.447 265 A N 1.793 124.386 122.820 -0.378 0.000 1.948 265 A HA -0.249 4.067 4.320 -0.008 0.000 0.220 265 A C 1.634 178.879 177.584 -0.564 0.000 1.177 265 A CA 2.165 53.475 52.037 -1.210 0.000 0.636 265 A CB -0.800 17.624 19.000 -0.961 0.000 0.815 265 A HN 0.770 nan 8.150 nan 0.000 0.449 266 N N -2.320 116.312 118.700 -0.113 0.000 2.380 266 N HA 0.069 4.804 4.740 -0.008 0.000 0.255 266 N C 0.141 175.774 175.510 0.204 0.000 1.158 266 N CA -0.637 52.439 53.050 0.042 0.000 0.878 266 N CB 0.039 38.566 38.487 0.067 0.000 1.138 266 N HN 0.612 nan 8.380 nan 0.000 0.509 267 W N 1.837 123.031 121.300 -0.175 0.000 2.385 267 W HA 0.253 4.908 4.660 -0.008 0.000 0.336 267 W C 0.195 176.527 176.519 -0.312 0.000 1.351 267 W CA 1.594 58.621 57.345 -0.531 0.000 1.295 267 W CB 0.524 29.612 29.460 -0.620 0.000 1.239 267 W HN 0.457 nan 8.180 nan 0.000 0.565 268 G N 5.485 113.738 108.800 -0.911 0.000 2.334 268 G HA2 -0.126 3.830 3.960 -0.008 0.000 0.249 268 G HA3 -0.126 3.830 3.960 -0.008 0.000 0.249 268 G C -2.497 172.151 174.900 -0.419 0.000 1.327 268 G CA -0.395 44.278 45.100 -0.712 0.000 0.979 268 G HN 0.152 nan 8.290 nan 0.000 0.471 269 P HA -0.035 nan 4.420 nan 0.000 0.217 269 P C 1.436 178.725 177.300 -0.019 0.000 1.148 269 P CA 1.759 64.838 63.100 -0.034 0.000 0.834 269 P CB 0.055 31.774 31.700 0.033 0.000 0.783 270 E N -2.309 117.900 120.200 0.014 0.000 2.204 270 E HA -0.178 4.167 4.350 -0.008 0.000 0.195 270 E C 0.904 177.518 176.600 0.024 0.000 0.990 270 E CA 0.770 57.187 56.400 0.028 0.000 0.821 270 E CB -0.361 29.369 29.700 0.050 0.000 0.750 270 E HN 0.416 nan 8.360 nan 0.000 0.477 271 W N 0.156 121.321 121.300 -0.226 0.000 3.405 271 W HA 0.213 4.868 4.660 -0.008 0.000 0.300 271 W C 1.203 177.607 176.519 -0.191 0.000 1.286 271 W CA 0.773 57.989 57.345 -0.216 0.000 1.762 271 W CB 0.357 29.618 29.460 -0.332 0.000 1.087 271 W HN 0.100 nan 8.180 nan 0.000 0.703 272 G N 0.094 108.904 108.800 0.017 0.000 2.132 272 G HA2 -0.283 3.673 3.960 -0.008 0.000 0.234 272 G HA3 -0.283 3.673 3.960 -0.008 0.000 0.234 272 G C 0.108 175.005 174.900 -0.004 0.000 0.989 272 G CA -0.199 44.902 45.100 0.002 0.000 0.676 272 G HN 0.163 nan 8.290 nan 0.000 0.522 273 L N -0.168 121.017 121.223 -0.064 0.000 2.439 273 L HA 0.615 4.950 4.340 -0.008 0.000 0.259 273 L C 1.568 178.470 176.870 0.054 0.000 1.129 273 L CA -1.119 53.687 54.840 -0.056 0.000 0.803 273 L CB 0.601 42.474 42.059 -0.310 0.000 1.161 273 L HN 0.032 nan 8.230 nan 0.000 0.462 274 L N 0.365 121.673 121.223 0.143 0.000 2.474 274 L HA 0.102 4.437 4.340 -0.008 0.000 0.259 274 L C 0.690 177.674 176.870 0.188 0.000 1.232 274 L CA -0.393 54.529 54.840 0.135 0.000 0.821 274 L CB 0.147 42.278 42.059 0.120 0.000 1.108 274 L HN 0.518 nan 8.230 nan 0.000 0.495 275 E N 0.813 121.072 120.200 0.098 0.000 2.392 275 E HA -0.012 4.333 4.350 -0.008 0.000 0.264 275 E C 0.920 177.491 176.600 -0.049 0.000 1.024 275 E CA 0.560 57.008 56.400 0.079 0.000 0.903 275 E CB 1.093 30.808 29.700 0.026 0.000 0.963 275 E HN 0.757 nan 8.360 nan 0.000 0.432 276 G N 3.256 111.950 108.800 -0.177 0.000 2.505 276 G HA2 -0.268 3.688 3.960 -0.008 0.000 0.220 276 G HA3 -0.268 3.688 3.960 -0.008 0.000 0.220 276 G C 1.389 176.051 174.900 -0.397 0.000 1.145 276 G CA 0.544 45.232 45.100 -0.686 0.000 0.761 276 G HN 0.476 nan 8.290 nan 0.000 0.571 277 L N 0.322 121.433 121.223 -0.187 0.000 2.362 277 L HA 0.002 4.337 4.340 -0.008 0.000 0.219 277 L C 1.501 178.323 176.870 -0.080 0.000 1.134 277 L CA 0.764 55.535 54.840 -0.115 0.000 0.807 277 L CB -0.189 41.833 42.059 -0.061 0.000 0.927 277 L HN 0.113 nan 8.230 nan 0.000 0.447 278 D N -0.055 120.294 120.400 -0.084 0.000 2.349 278 D HA 0.200 4.835 4.640 -0.008 0.000 0.214 278 D C 0.670 176.947 176.300 -0.039 0.000 1.063 278 D CA 0.247 54.224 54.000 -0.039 0.000 0.847 278 D CB 0.587 41.376 40.800 -0.018 0.000 0.933 278 D HN 0.174 nan 8.370 nan 0.000 0.513 279 A N 0.394 123.145 122.820 -0.113 0.000 2.337 279 A HA 0.604 4.919 4.320 -0.008 0.000 0.329 279 A C -0.470 177.049 177.584 -0.108 0.000 1.146 279 A CA -0.507 51.472 52.037 -0.096 0.000 0.800 279 A CB 1.703 20.631 19.000 -0.120 0.000 1.220 279 A HN -0.063 nan 8.150 nan 0.000 0.472 280 V N 3.187 123.077 119.914 -0.040 0.000 2.409 280 V HA 0.518 4.633 4.120 -0.008 0.000 0.291 280 V C 0.102 176.188 176.094 -0.014 0.000 1.020 280 V CA -0.395 61.870 62.300 -0.059 0.000 0.848 280 V CB 1.210 32.967 31.823 -0.110 0.000 0.990 280 V HN 0.976 nan 8.190 nan 0.000 0.430 281 V N 3.330 123.154 119.914 -0.149 0.000 2.994 281 V HA 0.974 5.089 4.120 -0.008 0.000 0.318 281 V C -0.798 175.219 176.094 -0.127 0.000 1.085 281 V CA -0.808 61.218 62.300 -0.458 0.000 0.998 281 V CB 1.788 32.835 31.823 -1.293 0.000 1.063 281 V HN 0.902 nan 8.190 nan 0.000 0.447 282 F N -0.730 119.017 119.950 -0.338 0.000 2.725 282 F HA 0.726 5.248 4.527 -0.008 0.000 0.309 282 F C -0.097 175.811 175.800 0.180 0.000 1.132 282 F CA -0.929 57.040 58.000 -0.052 0.000 0.957 282 F CB 0.623 39.582 39.000 -0.068 0.000 1.286 282 F HN 0.241 nan 8.300 nan 0.000 0.440 283 V N 0.201 120.283 119.914 0.281 0.000 2.379 283 V HA 0.036 4.151 4.120 -0.008 0.000 0.243 283 V C 0.180 176.458 176.094 0.306 0.000 1.035 283 V CA 2.039 64.498 62.300 0.264 0.000 1.035 283 V CB -0.548 31.411 31.823 0.227 0.000 0.673 283 V HN 0.928 nan 8.190 nan 0.000 0.457 284 D N -0.511 120.155 120.400 0.442 0.000 2.596 284 D HA 0.303 4.938 4.640 -0.008 0.000 0.234 284 D C -1.024 175.519 176.300 0.404 0.000 1.181 284 D CA -0.642 53.602 54.000 0.406 0.000 0.856 284 D CB 1.801 42.777 40.800 0.293 0.000 1.498 284 D HN 0.270 nan 8.370 nan 0.000 0.446 285 N N -1.564 117.278 118.700 0.236 0.000 2.966 285 N HA 0.119 4.854 4.740 -0.008 0.000 0.314 285 N C 1.203 176.631 175.510 -0.137 0.000 1.397 285 N CA -0.491 52.564 53.050 0.009 0.000 0.776 285 N CB 0.309 38.655 38.487 -0.235 0.000 1.576 285 N HN 0.599 nan 8.380 nan 0.000 0.592 286 H N -1.105 117.780 119.070 -0.307 0.000 2.421 286 H HA -0.023 4.528 4.556 -0.008 0.000 0.298 286 H C -0.115 174.834 175.328 -0.633 0.000 1.087 286 H CA 1.361 56.970 56.048 -0.731 0.000 1.330 286 H CB -0.059 28.997 29.762 -1.177 0.000 1.388 286 H HN 0.520 nan 8.280 nan 0.000 0.526 287 D N 1.471 121.331 120.400 -0.899 0.000 2.106 287 D HA -0.127 4.508 4.640 -0.008 0.000 0.203 287 D C 1.980 178.150 176.300 -0.217 0.000 0.977 287 D CA 1.380 55.069 54.000 -0.519 0.000 0.844 287 D CB -0.217 40.347 40.800 -0.393 0.000 1.002 287 D HN 0.531 nan 8.370 nan 0.000 0.461 288 N N 1.430 120.080 118.700 -0.082 0.000 2.520 288 N HA -0.183 4.553 4.740 -0.008 0.000 0.185 288 N C 1.528 177.060 175.510 0.037 0.000 1.068 288 N CA 0.822 53.896 53.050 0.040 0.000 0.911 288 N CB -0.701 37.891 38.487 0.175 0.000 0.961 288 N HN 0.386 nan 8.380 nan 0.000 0.446 289 Q N -0.601 119.191 119.800 -0.014 0.000 2.378 289 Q HA 0.084 4.419 4.340 -0.008 0.000 0.205 289 Q C 1.610 177.685 176.000 0.125 0.000 0.954 289 Q CA 0.526 56.362 55.803 0.054 0.000 0.901 289 Q CB -0.021 28.758 28.738 0.068 0.000 0.981 289 Q HN 0.309 nan 8.270 nan 0.000 0.483 290 R N 0.521 121.020 120.500 -0.002 0.000 2.087 290 R HA 0.054 4.389 4.340 -0.008 0.000 0.213 290 R C 1.326 177.687 176.300 0.102 0.000 1.137 290 R CA 1.600 57.738 56.100 0.062 0.000 1.022 290 R CB 0.406 30.644 30.300 -0.102 0.000 0.920 290 R HN 0.409 nan 8.270 nan 0.000 0.451 291 T N -3.233 111.355 114.554 0.058 0.000 3.200 291 T HA 0.190 4.536 4.350 -0.008 0.000 0.284 291 T C 1.415 176.144 174.700 0.048 0.000 1.009 291 T CA 0.018 62.155 62.100 0.062 0.000 0.907 291 T CB 1.224 70.129 68.868 0.060 0.000 1.120 291 T HN 0.210 nan 8.240 nan 0.000 0.534 292 G N 1.175 110.008 108.800 0.055 0.000 2.509 292 G HA2 0.430 4.385 3.960 -0.008 0.000 0.218 292 G HA3 0.430 4.385 3.960 -0.008 0.000 0.218 292 G C 1.037 175.970 174.900 0.055 0.000 1.124 292 G CA 0.136 45.276 45.100 0.066 0.000 0.776 292 G HN 1.212 nan 8.290 nan 0.000 0.547 293 G N -0.863 107.964 108.800 0.046 0.000 2.710 293 G HA2 0.024 3.980 3.960 -0.008 0.000 0.668 293 G HA3 0.024 3.980 3.960 -0.008 0.000 0.668 293 G C 1.069 175.989 174.900 0.033 0.000 1.320 293 G CA 0.432 45.554 45.100 0.036 0.000 0.860 293 G HN 1.151 nan 8.290 nan 0.000 0.538 294 S N -0.930 114.785 115.700 0.025 0.000 2.442 294 S HA -0.123 4.342 4.470 -0.008 0.000 0.236 294 S C 1.862 176.478 174.600 0.026 0.000 1.007 294 S CA 1.991 60.203 58.200 0.019 0.000 0.965 294 S CB -0.083 63.125 63.200 0.013 0.000 0.773 294 S HN 0.703 nan 8.310 nan 0.000 0.504 295 Q N 0.564 120.385 119.800 0.035 0.000 2.297 295 Q HA 0.186 4.521 4.340 -0.008 0.000 0.204 295 Q C 0.513 176.547 176.000 0.057 0.000 0.962 295 Q CA 0.435 56.264 55.803 0.043 0.000 0.879 295 Q CB -0.288 28.478 28.738 0.047 0.000 0.947 295 Q HN 0.522 nan 8.270 nan 0.000 0.462 296 I N 2.048 122.656 120.570 0.063 0.000 2.416 296 I HA 0.094 4.259 4.170 -0.008 0.000 0.288 296 I C 0.413 176.570 176.117 0.067 0.000 1.051 296 I CA -0.311 61.038 61.300 0.082 0.000 1.375 296 I CB 0.154 38.211 38.000 0.096 0.000 1.407 296 I HN -0.014 nan 8.210 nan 0.000 0.516 297 L N 6.754 128.043 121.223 0.110 0.000 2.312 297 L HA 0.428 4.763 4.340 -0.008 0.000 0.281 297 L C 0.669 177.524 176.870 -0.024 0.000 1.070 297 L CA -0.123 54.783 54.840 0.110 0.000 0.805 297 L CB 1.461 43.681 42.059 0.268 0.000 1.174 297 L HN 0.767 nan 8.230 nan 0.000 0.434 298 T N -1.960 112.358 114.554 -0.393 0.000 2.804 298 T HA 0.240 4.585 4.350 -0.008 0.000 0.290 298 T C 0.722 174.716 174.700 -1.177 0.000 1.099 298 T CA -0.535 61.064 62.100 -0.835 0.000 1.011 298 T CB 0.632 69.291 68.868 -0.348 0.000 1.291 298 T HN 0.513 nan 8.240 nan 0.000 0.523 299 Y N 0.493 120.275 120.300 -0.863 0.000 2.465 299 Y HA 0.177 4.722 4.550 -0.008 0.000 0.289 299 Y C 1.810 177.713 175.900 0.004 0.000 1.150 299 Y CA 0.890 58.885 58.100 -0.175 0.000 1.293 299 Y CB -0.787 37.738 38.460 0.109 0.000 0.977 299 Y HN 0.543 nan 8.280 nan 0.000 0.556 300 K N 0.793 120.744 120.400 -0.749 0.000 2.439 300 K HA -0.068 4.247 4.320 -0.008 0.000 0.197 300 K C 0.210 176.676 176.600 -0.223 0.000 1.041 300 K CA 0.898 56.857 56.287 -0.546 0.000 0.970 300 K CB -0.131 31.980 32.500 -0.649 0.000 0.773 300 K HN 0.477 nan 8.250 nan 0.000 0.479 301 N N 0.491 119.103 118.700 -0.147 0.000 2.765 301 N HA 0.118 4.853 4.740 -0.008 0.000 0.277 301 N C -2.445 173.123 175.510 0.097 0.000 1.750 301 N CA -1.696 51.338 53.050 -0.027 0.000 0.827 301 N CB 0.914 39.385 38.487 -0.027 0.000 1.200 301 N HN -0.212 nan 8.380 nan 0.000 0.494 302 P HA -0.268 nan 4.420 nan 0.000 0.216 302 P C 1.207 178.638 177.300 0.218 0.000 1.167 302 P CA 1.360 64.605 63.100 0.242 0.000 0.914 302 P CB 0.311 32.050 31.700 0.064 0.000 0.793 303 K N -0.677 119.790 120.400 0.112 0.000 1.991 303 K HA -0.123 4.192 4.320 -0.008 0.000 0.212 303 K C -0.588 176.083 176.600 0.119 0.000 1.049 303 K CA 2.378 58.719 56.287 0.091 0.000 0.932 303 K CB -1.575 30.958 32.500 0.056 0.000 0.717 303 K HN 0.175 nan 8.250 nan 0.000 0.441 304 P HA -0.165 nan 4.420 nan 0.000 0.221 304 P C 1.091 178.461 177.300 0.117 0.000 1.150 304 P CA 1.080 64.265 63.100 0.141 0.000 0.800 304 P CB -0.106 31.691 31.700 0.162 0.000 0.787 305 Y N 2.430 122.761 120.300 0.052 0.000 2.145 305 Y HA -0.140 4.406 4.550 -0.007 0.000 0.286 305 Y C 2.255 178.195 175.900 0.067 0.000 1.145 305 Y CA 1.664 59.809 58.100 0.076 0.000 1.148 305 Y CB -0.793 37.773 38.460 0.176 0.000 0.981 305 Y HN -0.182 nan 8.280 nan 0.000 0.507 306 K N -0.549 119.911 120.400 0.100 0.000 2.097 306 K HA -0.178 4.137 4.320 -0.008 0.000 0.206 306 K C 2.156 178.702 176.600 -0.089 0.000 1.049 306 K CA 1.820 58.110 56.287 0.005 0.000 0.933 306 K CB -0.226 32.342 32.500 0.114 0.000 0.717 306 K HN 0.382 nan 8.250 nan 0.000 0.442 307 M N 0.232 119.764 119.600 -0.114 0.000 2.117 307 M HA -0.162 4.313 4.480 -0.008 0.000 0.262 307 M C 2.417 178.353 176.300 -0.606 0.000 1.065 307 M CA 1.662 56.842 55.300 -0.199 0.000 1.114 307 M CB -0.321 32.186 32.600 -0.154 0.000 1.361 307 M HN 0.204 nan 8.290 nan 0.000 0.408 308 A N 0.517 122.852 122.820 -0.809 0.000 1.902 308 A HA -0.135 4.181 4.320 -0.008 0.000 0.217 308 A C 2.071 179.488 177.584 -0.278 0.000 1.181 308 A CA 1.496 53.068 52.037 -0.774 0.000 0.623 308 A CB -0.909 17.857 19.000 -0.390 0.000 0.818 308 A HN 0.464 nan 8.150 nan 0.000 0.443 309 I N -0.338 120.098 120.570 -0.224 0.000 2.252 309 I HA -0.255 3.910 4.170 -0.008 0.000 0.245 309 I C 2.947 179.047 176.117 -0.028 0.000 1.102 309 I CA 0.978 62.208 61.300 -0.117 0.000 1.385 309 I CB -0.304 37.563 38.000 -0.221 0.000 1.064 309 I HN 0.356 nan 8.210 nan 0.000 0.414 310 A N 0.569 123.370 122.820 -0.031 0.000 1.902 310 A HA -0.253 4.062 4.320 -0.008 0.000 0.217 310 A C 2.231 179.906 177.584 0.152 0.000 1.181 310 A CA 1.418 53.460 52.037 0.008 0.000 0.623 310 A CB -0.933 18.048 19.000 -0.032 0.000 0.818 310 A HN 0.448 nan 8.150 nan 0.000 0.443 311 F N 0.010 120.019 119.950 0.098 0.000 2.146 311 F HA -0.152 4.370 4.527 -0.008 0.000 0.298 311 F C 2.309 178.203 175.800 0.157 0.000 1.096 311 F CA 2.052 60.121 58.000 0.115 0.000 1.275 311 F CB -0.220 38.602 39.000 -0.297 0.000 1.008 311 F HN 0.287 nan 8.300 nan 0.000 0.480 312 M N -0.084 119.638 119.600 0.203 0.000 2.080 312 M HA -0.225 4.250 4.480 -0.008 0.000 0.260 312 M C 1.930 178.343 176.300 0.188 0.000 1.068 312 M CA 1.982 57.469 55.300 0.311 0.000 1.109 312 M CB -0.439 32.393 32.600 0.386 0.000 1.342 312 M HN 0.291 nan 8.290 nan 0.000 0.405 313 L N -0.071 121.216 121.223 0.106 0.000 2.217 313 L HA -0.071 4.265 4.340 -0.008 0.000 0.211 313 L C 2.606 179.537 176.870 0.101 0.000 1.107 313 L CA 0.821 55.707 54.840 0.077 0.000 0.783 313 L CB -0.729 41.344 42.059 0.023 0.000 0.919 313 L HN 0.420 nan 8.230 nan 0.000 0.442 314 A N -1.643 121.200 122.820 0.039 0.000 2.021 314 A HA -0.088 4.227 4.320 -0.008 0.000 0.216 314 A C 0.889 178.659 177.584 0.310 0.000 1.163 314 A CA 0.241 52.330 52.037 0.086 0.000 0.676 314 A CB -0.478 18.390 19.000 -0.220 0.000 0.818 314 A HN 0.379 nan 8.150 nan 0.000 0.453 315 H N 0.286 119.391 119.070 0.058 0.000 2.582 315 H HA 0.289 4.841 4.556 -0.007 0.000 0.345 315 H C -1.563 173.844 175.328 0.132 0.000 1.104 315 H CA -1.350 54.705 56.048 0.011 0.000 1.390 315 H CB 1.337 30.928 29.762 -0.284 0.000 1.461 315 H HN 0.020 nan 8.280 nan 0.000 0.551 316 P HA -0.152 nan 4.420 nan 0.000 0.230 316 P C -0.254 177.166 177.300 0.200 0.000 1.158 316 P CA 0.587 63.722 63.100 0.059 0.000 0.769 316 P CB -0.121 31.554 31.700 -0.043 0.000 0.807 317 Y N 2.439 122.956 120.300 0.362 0.000 2.650 317 Y HA 0.318 4.863 4.550 -0.008 0.000 0.331 317 Y C 1.266 177.260 175.900 0.156 0.000 1.165 317 Y CA 1.325 59.602 58.100 0.296 0.000 1.473 317 Y CB -0.393 38.310 38.460 0.406 0.000 1.224 317 Y HN 0.296 nan 8.280 nan 0.000 0.533 318 G N 3.978 112.482 108.800 -0.492 0.000 2.894 318 G HA2 -0.224 3.732 3.960 -0.008 0.000 0.247 318 G HA3 -0.224 3.732 3.960 -0.008 0.000 0.247 318 G C -0.592 174.214 174.900 -0.156 0.000 1.442 318 G CA -0.362 44.492 45.100 -0.410 0.000 0.897 318 G HN 0.814 nan 8.290 nan 0.000 0.550 319 T N 1.391 115.860 114.554 -0.142 0.000 2.799 319 T HA 0.622 4.968 4.350 -0.008 0.000 0.286 319 T C 0.852 175.512 174.700 -0.066 0.000 0.973 319 T CA 0.533 62.587 62.100 -0.076 0.000 1.035 319 T CB 1.015 69.816 68.868 -0.113 0.000 0.932 319 T HN 1.221 nan 8.240 nan 0.000 0.469 320 T N 1.825 116.377 114.554 -0.005 0.000 2.875 320 T HA 0.637 4.983 4.350 -0.008 0.000 0.284 320 T C -0.237 174.477 174.700 0.024 0.000 0.995 320 T CA -1.060 61.040 62.100 -0.000 0.000 1.060 320 T CB 1.410 70.297 68.868 0.033 0.000 0.967 320 T HN 0.537 nan 8.240 nan 0.000 0.476 321 R N 2.252 122.779 120.500 0.045 0.000 2.621 321 R HA 0.670 5.006 4.340 -0.008 0.000 0.292 321 R C -1.350 175.025 176.300 0.125 0.000 0.969 321 R CA -0.920 55.217 56.100 0.062 0.000 0.887 321 R CB 1.282 31.581 30.300 -0.001 0.000 1.180 321 R HN 0.768 nan 8.270 nan 0.000 0.450 322 I N 4.416 125.065 120.570 0.131 0.000 2.406 322 I HA 0.268 4.434 4.170 -0.008 0.000 0.290 322 I C -0.090 176.103 176.117 0.128 0.000 0.999 322 I CA -1.059 60.325 61.300 0.141 0.000 1.124 322 I CB 1.973 40.083 38.000 0.183 0.000 1.289 322 I HN 0.580 nan 8.210 nan 0.000 0.441 323 M N 5.560 125.248 119.600 0.147 0.000 2.233 323 M HA 0.221 4.696 4.480 -0.008 0.000 0.350 323 M C -0.203 176.136 176.300 0.065 0.000 1.176 323 M CA 0.694 56.072 55.300 0.130 0.000 1.150 323 M CB 0.886 33.587 32.600 0.169 0.000 1.530 323 M HN 0.476 nan 8.290 nan 0.000 0.459 324 S N 3.181 118.893 115.700 0.019 0.000 2.774 324 S HA 0.666 5.132 4.470 -0.008 0.000 0.297 324 S C -1.080 173.604 174.600 0.140 0.000 1.143 324 S CA -0.669 57.561 58.200 0.050 0.000 1.090 324 S CB 0.403 63.563 63.200 -0.066 0.000 1.019 324 S HN 0.828 nan 8.310 nan 0.000 0.482 325 S N 3.467 119.235 115.700 0.114 0.000 2.713 325 S HA 0.745 5.210 4.470 -0.008 0.000 0.283 325 S C -0.518 174.214 174.600 0.220 0.000 1.161 325 S CA -0.741 57.533 58.200 0.123 0.000 0.999 325 S CB 0.593 63.760 63.200 -0.054 0.000 1.039 325 S HN 0.681 nan 8.310 nan 0.000 0.548 326 F N -0.399 119.680 119.950 0.215 0.000 2.450 326 F HA 0.651 5.173 4.527 -0.008 0.000 0.332 326 F C -0.180 175.670 175.800 0.084 0.000 1.093 326 F CA -1.544 56.446 58.000 -0.016 0.000 1.003 326 F CB 0.127 38.986 39.000 -0.235 0.000 1.151 326 F HN 0.387 nan 8.300 nan 0.000 0.474 327 D N 3.107 123.612 120.400 0.175 0.000 2.425 327 D HA 0.275 4.911 4.640 -0.008 0.000 0.247 327 D C -0.909 175.645 176.300 0.424 0.000 1.147 327 D CA 0.411 54.529 54.000 0.196 0.000 0.879 327 D CB 0.215 41.081 40.800 0.111 0.000 1.179 327 D HN 0.516 nan 8.370 nan 0.000 0.456 328 F N 0.055 120.149 119.950 0.241 0.000 2.613 328 F HA 0.500 5.023 4.527 -0.008 0.000 0.310 328 F C 0.544 176.450 175.800 0.177 0.000 1.085 328 F CA -0.671 57.466 58.000 0.228 0.000 0.945 328 F CB 1.192 40.308 39.000 0.193 0.000 1.298 328 F HN 0.169 nan 8.300 nan 0.000 0.455 329 T N -2.629 112.047 114.554 0.203 0.000 2.955 329 T HA 0.237 4.582 4.350 -0.008 0.000 0.251 329 T C -0.405 174.428 174.700 0.222 0.000 1.002 329 T CA 0.620 62.769 62.100 0.082 0.000 0.970 329 T CB -0.122 68.795 68.868 0.081 0.000 1.091 329 T HN 0.707 nan 8.240 nan 0.000 0.495 330 D N 0.241 120.871 120.400 0.383 0.000 2.498 330 D HA 0.383 5.018 4.640 -0.008 0.000 0.247 330 D C 0.527 177.122 176.300 0.491 0.000 1.070 330 D CA -0.709 53.510 54.000 0.365 0.000 0.842 330 D CB 1.345 42.310 40.800 0.274 0.000 1.361 330 D HN 0.004 nan 8.370 nan 0.000 0.484 331 N N 1.679 120.629 118.700 0.417 0.000 2.364 331 N HA -0.114 4.622 4.740 -0.008 0.000 0.183 331 N C 0.216 176.075 175.510 0.583 0.000 1.022 331 N CA 0.529 53.821 53.050 0.403 0.000 0.883 331 N CB 0.240 38.926 38.487 0.331 0.000 0.965 331 N HN 0.488 nan 8.380 nan 0.000 0.438 332 D N 0.524 121.230 120.400 0.511 0.000 2.354 332 D HA -0.057 4.578 4.640 -0.008 0.000 0.209 332 D C 0.476 177.032 176.300 0.427 0.000 1.015 332 D CA 0.181 54.511 54.000 0.549 0.000 0.867 332 D CB 0.120 41.191 40.800 0.452 0.000 0.933 332 D HN 0.287 nan 8.370 nan 0.000 0.520 333 Q N 1.208 121.269 119.800 0.436 0.000 2.308 333 Q HA 0.153 4.488 4.340 -0.008 0.000 0.313 333 Q C 0.362 176.619 176.000 0.427 0.000 1.075 333 Q CA 0.069 56.094 55.803 0.370 0.000 0.995 333 Q CB 0.589 29.584 28.738 0.429 0.000 1.107 333 Q HN 0.066 nan 8.270 nan 0.000 0.380 334 G N 4.684 113.557 108.800 0.122 0.000 2.547 334 G HA2 0.428 4.384 3.960 -0.008 0.000 0.291 334 G HA3 0.428 4.384 3.960 -0.008 0.000 0.291 334 G C -2.447 172.140 174.900 -0.520 0.000 1.211 334 G CA -1.096 43.964 45.100 -0.066 0.000 0.950 334 G HN 0.617 nan 8.290 nan 0.000 0.504 335 P HA 0.197 nan 4.420 nan 0.000 0.273 335 P C -2.668 174.243 177.300 -0.649 0.000 1.250 335 P CA -1.093 61.179 63.100 -1.381 0.000 0.793 335 P CB -0.096 31.029 31.700 -0.959 0.000 1.011 336 P HA 0.011 nan 4.420 nan 0.000 0.262 336 P C -0.400 176.780 177.300 -0.200 0.000 1.182 336 P CA 0.855 63.774 63.100 -0.302 0.000 0.761 336 P CB 0.000 31.526 31.700 -0.291 0.000 0.795 337 Q N 1.508 121.219 119.800 -0.148 0.000 2.456 337 Q HA 0.530 4.866 4.340 -0.008 0.000 0.284 337 Q C -1.128 174.823 176.000 -0.081 0.000 1.061 337 Q CA -1.040 54.694 55.803 -0.115 0.000 0.799 337 Q CB 1.662 30.326 28.738 -0.122 0.000 1.445 337 Q HN 0.305 nan 8.270 nan 0.000 0.411 338 D N 0.478 120.837 120.400 -0.068 0.000 2.469 338 D HA 0.242 4.877 4.640 -0.008 0.000 0.278 338 D C 1.074 177.346 176.300 -0.047 0.000 1.231 338 D CA -0.019 53.950 54.000 -0.052 0.000 1.075 338 D CB -0.105 40.667 40.800 -0.046 0.000 1.121 338 D HN 0.698 nan 8.370 nan 0.000 0.571 339 G N -1.492 107.286 108.800 -0.037 0.000 2.509 339 G HA2 -0.134 3.822 3.960 -0.008 0.000 0.218 339 G HA3 -0.134 3.822 3.960 -0.008 0.000 0.218 339 G C 1.025 175.905 174.900 -0.033 0.000 1.124 339 G CA 0.447 45.528 45.100 -0.032 0.000 0.776 339 G HN 0.383 nan 8.290 nan 0.000 0.547 340 S N -0.447 115.231 115.700 -0.037 0.000 2.557 340 S HA 0.385 4.850 4.470 -0.008 0.000 0.223 340 S C 1.678 176.251 174.600 -0.044 0.000 0.969 340 S CA 0.528 58.706 58.200 -0.037 0.000 0.927 340 S CB 0.396 63.576 63.200 -0.034 0.000 0.806 340 S HN 1.057 nan 8.310 nan 0.000 0.489 341 G N 2.104 110.873 108.800 -0.052 0.000 2.159 341 G HA2 -0.251 3.704 3.960 -0.008 0.000 0.256 341 G HA3 -0.251 3.704 3.960 -0.008 0.000 0.256 341 G C -0.275 174.583 174.900 -0.070 0.000 0.977 341 G CA -0.298 44.765 45.100 -0.063 0.000 0.652 341 G HN 0.559 nan 8.290 nan 0.000 0.531 342 N N 0.001 118.660 118.700 -0.067 0.000 2.529 342 N HA 0.562 5.297 4.740 -0.008 0.000 0.278 342 N C 0.586 176.043 175.510 -0.089 0.000 1.146 342 N CA -0.595 52.410 53.050 -0.074 0.000 0.980 342 N CB 0.979 39.428 38.487 -0.065 0.000 1.124 342 N HN 0.260 nan 8.380 nan 0.000 0.458 343 L N 2.127 123.288 121.223 -0.104 0.000 2.456 343 L HA 0.170 4.505 4.340 -0.008 0.000 0.272 343 L C 0.116 176.926 176.870 -0.100 0.000 1.189 343 L CA 0.029 54.800 54.840 -0.115 0.000 0.846 343 L CB 0.242 42.219 42.059 -0.136 0.000 1.111 343 L HN 0.409 nan 8.230 nan 0.000 0.475 344 I N 2.088 122.612 120.570 -0.077 0.000 2.325 344 I HA 0.114 4.279 4.170 -0.008 0.000 0.291 344 I C 0.435 176.514 176.117 -0.063 0.000 1.019 344 I CA -0.043 61.224 61.300 -0.056 0.000 1.302 344 I CB 1.385 39.366 38.000 -0.031 0.000 1.401 344 I HN 0.615 nan 8.210 nan 0.000 0.485 345 S N 7.654 123.263 115.700 -0.152 0.000 2.572 345 S HA 0.202 4.667 4.470 -0.008 0.000 0.279 345 S C -2.239 172.125 174.600 -0.394 0.000 1.341 345 S CA -0.831 57.174 58.200 -0.325 0.000 1.043 345 S CB 0.408 63.453 63.200 -0.260 0.000 0.887 345 S HN 0.375 nan 8.310 nan 0.000 0.516 346 P HA 0.291 nan 4.420 nan 0.000 0.271 346 P C -0.125 176.958 177.300 -0.361 0.000 1.216 346 P CA -0.117 62.532 63.100 -0.751 0.000 0.776 346 P CB 0.470 31.325 31.700 -1.409 0.000 0.881 347 G N 2.328 111.034 108.800 -0.155 0.000 2.489 347 G HA2 0.611 4.566 3.960 -0.008 0.000 0.327 347 G HA3 0.611 4.566 3.960 -0.008 0.000 0.327 347 G C -1.151 173.717 174.900 -0.054 0.000 1.189 347 G CA -0.479 44.566 45.100 -0.090 0.000 0.962 347 G HN 0.330 nan 8.290 nan 0.000 0.486 348 I N 1.923 122.475 120.570 -0.031 0.000 2.339 348 I HA 0.252 4.418 4.170 -0.008 0.000 0.290 348 I C -0.186 175.935 176.117 0.006 0.000 0.994 348 I CA -1.264 60.030 61.300 -0.010 0.000 1.191 348 I CB 0.959 38.956 38.000 -0.005 0.000 1.343 348 I HN 0.343 nan 8.210 nan 0.000 0.458 349 N N 4.704 123.414 118.700 0.017 0.000 2.354 349 N HA 0.010 4.746 4.740 -0.008 0.000 0.246 349 N C 0.842 176.369 175.510 0.029 0.000 1.285 349 N CA -0.199 52.866 53.050 0.025 0.000 0.925 349 N CB 0.894 39.401 38.487 0.035 0.000 1.174 349 N HN 0.513 nan 8.380 nan 0.000 0.478 350 D N -0.840 119.578 120.400 0.029 0.000 2.310 350 D HA -0.159 4.476 4.640 -0.008 0.000 0.212 350 D C 0.353 176.678 176.300 0.041 0.000 0.965 350 D CA 0.879 54.899 54.000 0.032 0.000 0.879 350 D CB -0.259 40.556 40.800 0.027 0.000 0.921 350 D HN 0.555 nan 8.370 nan 0.000 0.510 351 D N -0.973 119.455 120.400 0.046 0.000 2.388 351 D HA 0.021 4.656 4.640 -0.008 0.000 0.221 351 D C 0.238 176.585 176.300 0.078 0.000 1.133 351 D CA -0.549 53.487 54.000 0.059 0.000 0.831 351 D CB -0.794 40.037 40.800 0.052 0.000 0.962 351 D HN 0.192 nan 8.370 nan 0.000 0.502 352 N N -0.396 118.342 118.700 0.065 0.000 2.878 352 N HA -0.164 4.572 4.740 -0.008 0.000 0.247 352 N C -0.340 175.186 175.510 0.027 0.000 1.021 352 N CA 1.161 54.245 53.050 0.056 0.000 0.873 352 N CB -1.134 37.417 38.487 0.107 0.000 1.128 352 N HN 0.597 nan 8.380 nan 0.000 0.571 353 T N -2.293 112.292 114.554 0.052 0.000 2.884 353 T HA 0.596 4.942 4.350 -0.008 0.000 0.277 353 T C 0.686 175.416 174.700 0.049 0.000 0.976 353 T CA -0.575 61.568 62.100 0.072 0.000 0.956 353 T CB 1.976 70.910 68.868 0.110 0.000 1.113 353 T HN 0.172 nan 8.240 nan 0.000 0.554 354 c N 2.096 120.746 118.600 0.083 0.000 2.370 354 c HA 0.806 5.371 4.570 -0.008 0.000 0.354 354 c C 1.227 175.376 174.090 0.099 0.000 1.218 354 c CA -0.578 55.801 56.329 0.083 0.000 2.154 354 c CB 0.770 43.363 42.510 0.138 0.000 2.391 354 c HN 1.120 nan 8.230 nan 0.000 0.540 355 S N 1.589 117.334 115.700 0.074 0.000 2.768 355 S HA 0.523 4.988 4.470 -0.008 0.000 0.300 355 S C 0.113 174.785 174.600 0.120 0.000 1.122 355 S CA -0.366 57.878 58.200 0.073 0.000 0.995 355 S CB 0.494 63.716 63.200 0.036 0.000 1.195 355 S HN 0.810 nan 8.310 nan 0.000 0.547 356 N N -0.221 118.526 118.700 0.080 0.000 2.800 356 N HA -0.145 4.590 4.740 -0.008 0.000 0.250 356 N C 0.765 176.269 175.510 -0.010 0.000 1.078 356 N CA 1.505 54.596 53.050 0.069 0.000 0.804 356 N CB -1.762 36.793 38.487 0.112 0.000 1.135 356 N HN 1.823 nan 8.380 nan 0.000 0.565 357 G N -1.906 106.885 108.800 -0.016 0.000 2.144 357 G HA2 -0.313 3.642 3.960 -0.008 0.000 0.218 357 G HA3 -0.313 3.642 3.960 -0.008 0.000 0.218 357 G C -0.393 174.362 174.900 -0.242 0.000 0.988 357 G CA 0.163 45.187 45.100 -0.126 0.000 0.659 357 G HN 0.411 nan 8.290 nan 0.000 0.522 358 Y N -0.456 119.880 120.300 0.060 0.000 2.330 358 Y HA 0.487 5.033 4.550 -0.008 0.000 0.336 358 Y C 1.604 177.559 175.900 0.093 0.000 1.036 358 Y CA -0.381 57.783 58.100 0.106 0.000 1.125 358 Y CB 1.938 40.435 38.460 0.062 0.000 1.194 358 Y HN -0.067 nan 8.280 nan 0.000 0.469 359 V N 0.471 120.477 119.914 0.152 0.000 2.453 359 V HA -0.214 3.901 4.120 -0.008 0.000 0.247 359 V C 0.954 177.128 176.094 0.134 0.000 1.048 359 V CA 0.502 62.829 62.300 0.045 0.000 1.049 359 V CB -0.657 30.958 31.823 -0.347 0.000 0.672 359 V HN 1.101 nan 8.190 nan 0.000 0.457 360 c N 1.377 120.081 118.600 0.173 0.000 3.727 360 c HA -0.164 4.401 4.570 -0.008 0.000 0.293 360 c C 1.697 175.648 174.090 -0.232 0.000 1.339 360 c CA 0.542 56.939 56.329 0.113 0.000 2.150 360 c CB -2.522 40.035 42.510 0.080 0.000 1.383 360 c HN 0.673 nan 8.230 nan 0.000 0.614 361 E N 0.458 120.403 120.200 -0.424 0.000 2.160 361 E HA -0.190 4.155 4.350 -0.008 0.000 0.195 361 E C 1.972 178.291 176.600 -0.469 0.000 0.991 361 E CA 1.690 57.436 56.400 -1.091 0.000 0.810 361 E CB -0.158 29.086 29.700 -0.761 0.000 0.742 361 E HN 0.975 nan 8.360 nan 0.000 0.466 362 H N -0.139 118.815 119.070 -0.194 0.000 2.521 362 H HA 0.073 4.624 4.556 -0.008 0.000 0.286 362 H C 1.314 176.804 175.328 0.270 0.000 1.034 362 H CA 0.951 57.029 56.048 0.052 0.000 1.278 362 H CB -0.048 29.632 29.762 -0.137 0.000 1.386 362 H HN 0.081 nan 8.280 nan 0.000 0.567 363 R N -0.551 119.721 120.500 -0.380 0.000 2.317 363 R HA 0.046 4.381 4.340 -0.008 0.000 0.208 363 R C -0.240 176.350 176.300 0.483 0.000 0.914 363 R CA -0.425 55.580 56.100 -0.158 0.000 1.060 363 R CB 0.217 30.162 30.300 -0.591 0.000 1.015 363 R HN 0.116 nan 8.270 nan 0.000 0.498 364 W N 1.565 122.980 121.300 0.192 0.000 2.216 364 W HA 0.137 4.791 4.660 -0.009 0.000 0.326 364 W C 1.564 178.063 176.519 -0.034 0.000 1.319 364 W CA -1.057 56.359 57.345 0.118 0.000 1.213 364 W CB 0.105 29.618 29.460 0.089 0.000 1.171 364 W HN 0.050 nan 8.180 nan 0.000 0.557 365 R N 1.476 121.972 120.500 -0.007 0.000 2.103 365 R HA -0.276 4.060 4.340 -0.008 0.000 0.242 365 R C 1.672 177.688 176.300 -0.473 0.000 1.142 365 R CA 2.196 57.935 56.100 -0.602 0.000 0.960 365 R CB 0.109 30.273 30.300 -0.226 0.000 0.858 365 R HN 0.476 nan 8.270 nan 0.000 0.439 366 Q N -0.574 119.151 119.800 -0.125 0.000 2.224 366 Q HA -0.075 4.260 4.340 -0.008 0.000 0.203 366 Q C 1.978 177.969 176.000 -0.014 0.000 0.970 366 Q CA 1.350 57.117 55.803 -0.059 0.000 0.865 366 Q CB 0.109 28.854 28.738 0.011 0.000 0.922 366 Q HN 0.180 nan 8.270 nan 0.000 0.445 367 V N -0.183 119.785 119.914 0.091 0.000 2.300 367 V HA -0.194 3.921 4.120 -0.008 0.000 0.241 367 V C 1.908 178.108 176.094 0.177 0.000 1.034 367 V CA 1.676 64.066 62.300 0.149 0.000 1.021 367 V CB -0.761 31.203 31.823 0.235 0.000 0.662 367 V HN 0.475 nan 8.190 nan 0.000 0.458 368 Y N 1.717 122.197 120.300 0.300 0.000 2.352 368 Y HA 0.140 4.685 4.550 -0.008 0.000 0.292 368 Y C 2.226 178.163 175.900 0.063 0.000 1.136 368 Y CA 0.987 59.223 58.100 0.226 0.000 1.227 368 Y CB -1.483 37.250 38.460 0.455 0.000 0.991 368 Y HN 0.086 nan 8.280 nan 0.000 0.545 369 G N 0.991 109.732 108.800 -0.098 0.000 2.422 369 G HA2 -0.186 3.770 3.960 -0.008 0.000 0.218 369 G HA3 -0.186 3.770 3.960 -0.008 0.000 0.218 369 G C 1.465 176.406 174.900 0.069 0.000 1.146 369 G CA 1.193 46.296 45.100 0.006 0.000 0.769 369 G HN 0.330 nan 8.290 nan 0.000 0.547 370 M N 0.413 120.016 119.600 0.006 0.000 2.349 370 M HA 0.105 4.581 4.480 -0.008 0.000 0.266 370 M C 2.638 178.939 176.300 0.000 0.000 1.076 370 M CA 0.408 55.707 55.300 -0.002 0.000 1.126 370 M CB -0.491 32.065 32.600 -0.073 0.000 1.392 370 M HN 0.106 nan 8.290 nan 0.000 0.440 371 V N 0.140 120.001 119.914 -0.088 0.000 2.427 371 V HA -0.145 3.970 4.120 -0.008 0.000 0.248 371 V C 2.570 178.542 176.094 -0.203 0.000 1.051 371 V CA 1.987 64.137 62.300 -0.249 0.000 1.048 371 V CB -1.453 29.967 31.823 -0.672 0.000 0.666 371 V HN 0.522 nan 8.190 nan 0.000 0.456 372 G N -0.877 107.849 108.800 -0.122 0.000 2.418 372 G HA2 -0.307 3.649 3.960 -0.008 0.000 0.217 372 G HA3 -0.307 3.649 3.960 -0.008 0.000 0.217 372 G C 1.554 176.255 174.900 -0.330 0.000 1.158 372 G CA 0.933 45.953 45.100 -0.134 0.000 0.771 372 G HN 0.478 nan 8.290 nan 0.000 0.545 373 F N 1.360 121.059 119.950 -0.419 0.000 2.095 373 F HA -0.029 4.493 4.527 -0.009 0.000 0.298 373 F C 2.711 178.320 175.800 -0.318 0.000 1.104 373 F CA 1.933 59.629 58.000 -0.508 0.000 1.232 373 F CB -0.188 38.708 39.000 -0.174 0.000 0.987 373 F HN 0.068 nan 8.300 nan 0.000 0.475 374 R N 0.288 120.846 120.500 0.097 0.000 2.105 374 R HA -0.191 4.144 4.340 -0.008 0.000 0.239 374 R C 2.032 178.263 176.300 -0.115 0.000 1.135 374 R CA 1.728 57.851 56.100 0.038 0.000 0.967 374 R CB -0.370 29.950 30.300 0.034 0.000 0.861 374 R HN 0.305 nan 8.270 nan 0.000 0.442 375 N N 0.269 118.863 118.700 -0.178 0.000 2.188 375 N HA -0.110 4.626 4.740 -0.008 0.000 0.184 375 N C 1.482 176.877 175.510 -0.192 0.000 1.018 375 N CA 1.420 54.367 53.050 -0.172 0.000 0.858 375 N CB -0.233 38.149 38.487 -0.174 0.000 0.989 375 N HN 0.282 nan 8.380 nan 0.000 0.426 376 A N 0.526 123.163 122.820 -0.306 0.000 2.015 376 A HA -0.050 4.266 4.320 -0.008 0.000 0.219 376 A C 1.934 179.366 177.584 -0.252 0.000 1.163 376 A CA 1.333 53.202 52.037 -0.279 0.000 0.646 376 A CB -0.308 18.459 19.000 -0.390 0.000 0.806 376 A HN 0.210 nan 8.150 nan 0.000 0.448 377 V N -2.158 117.568 119.914 -0.314 0.000 3.444 377 V HA 0.261 4.377 4.120 -0.008 0.000 0.308 377 V C 0.291 176.322 176.094 -0.105 0.000 1.371 377 V CA 0.118 62.280 62.300 -0.230 0.000 1.141 377 V CB -0.822 30.807 31.823 -0.323 0.000 1.037 377 V HN 0.342 nan 8.190 nan 0.000 0.433 378 E N 1.937 122.082 120.200 -0.091 0.000 2.529 378 E HA 0.367 4.712 4.350 -0.008 0.000 0.259 378 E C 1.409 177.992 176.600 -0.030 0.000 0.966 378 E CA 1.571 57.943 56.400 -0.047 0.000 0.937 378 E CB 0.060 29.733 29.700 -0.045 0.000 0.923 378 E HN 0.887 nan 8.360 nan 0.000 0.468 379 G N 2.841 111.633 108.800 -0.014 0.000 2.176 379 G HA2 -0.283 3.672 3.960 -0.008 0.000 0.253 379 G HA3 -0.283 3.672 3.960 -0.008 0.000 0.253 379 G C 0.440 175.341 174.900 0.001 0.000 0.979 379 G CA 0.554 45.650 45.100 -0.006 0.000 0.641 379 G HN 0.955 nan 8.290 nan 0.000 0.530 380 T N -1.921 112.635 114.554 0.004 0.000 2.912 380 T HA 0.748 5.093 4.350 -0.008 0.000 0.280 380 T C -0.020 174.696 174.700 0.028 0.000 0.989 380 T CA -0.252 61.859 62.100 0.020 0.000 0.995 380 T CB 2.224 71.107 68.868 0.025 0.000 1.077 380 T HN 0.411 nan 8.240 nan 0.000 0.531 381 Q N -0.151 119.674 119.800 0.041 0.000 2.378 381 Q HA 0.605 4.941 4.340 -0.008 0.000 0.276 381 Q C -0.853 175.187 176.000 0.066 0.000 1.083 381 Q CA -1.241 54.579 55.803 0.029 0.000 0.856 381 Q CB 2.250 31.004 28.738 0.026 0.000 1.383 381 Q HN 0.541 nan 8.270 nan 0.000 0.458 382 V N 1.687 121.616 119.914 0.024 0.000 2.572 382 V HA 0.096 4.211 4.120 -0.008 0.000 0.291 382 V C -0.075 176.119 176.094 0.166 0.000 1.039 382 V CA 0.646 62.998 62.300 0.087 0.000 1.055 382 V CB 0.494 32.235 31.823 -0.137 0.000 0.969 382 V HN 0.677 nan 8.190 nan 0.000 0.482 383 E N 2.701 123.068 120.200 0.279 0.000 2.446 383 E HA 0.400 4.746 4.350 -0.008 0.000 0.276 383 E C -0.223 176.592 176.600 0.359 0.000 0.969 383 E CA -1.093 55.465 56.400 0.263 0.000 0.800 383 E CB 1.459 31.276 29.700 0.195 0.000 1.341 383 E HN 0.681 nan 8.360 nan 0.000 0.460 384 N N 0.600 119.491 118.700 0.318 0.000 2.721 384 N HA -0.200 4.535 4.740 -0.008 0.000 0.249 384 N C -0.969 174.813 175.510 0.453 0.000 1.072 384 N CA 0.491 53.748 53.050 0.345 0.000 0.710 384 N CB -0.557 38.116 38.487 0.311 0.000 0.993 384 N HN 0.451 nan 8.380 nan 0.000 0.547 385 W N 0.778 122.259 121.300 0.303 0.000 2.223 385 W HA 0.264 4.920 4.660 -0.007 0.000 0.334 385 W C -0.008 176.734 176.519 0.373 0.000 1.334 385 W CA 0.019 57.563 57.345 0.332 0.000 1.246 385 W CB 0.229 29.806 29.460 0.196 0.000 1.184 385 W HN 0.321 nan 8.180 nan 0.000 0.563 386 W N 6.627 127.633 121.300 -0.490 0.000 3.107 386 W HA 0.453 5.113 4.660 -0.001 0.000 0.331 386 W C -1.409 174.823 176.519 -0.479 0.000 1.204 386 W CA -0.442 56.746 57.345 -0.262 0.000 1.184 386 W CB 1.220 30.646 29.460 -0.058 0.000 1.421 386 W HN 0.466 nan 8.180 nan 0.000 0.544 387 S N 2.736 117.514 115.700 -1.536 0.000 2.567 387 S HA 0.265 4.730 4.470 -0.008 0.000 0.270 387 S C -0.685 172.941 174.600 -1.624 0.000 1.152 387 S CA -0.667 56.667 58.200 -1.444 0.000 0.835 387 S CB 1.284 64.206 63.200 -0.463 0.000 1.115 387 S HN 0.786 nan 8.310 nan 0.000 0.459 388 N N 0.371 118.407 118.700 -1.107 0.000 2.322 388 N HA 0.146 4.881 4.740 -0.008 0.000 0.216 388 N C -0.532 174.828 175.510 -0.250 0.000 1.144 388 N CA 0.473 53.227 53.050 -0.493 0.000 0.830 388 N CB -0.747 37.648 38.487 -0.153 0.000 1.034 388 N HN 0.698 nan 8.380 nan 0.000 0.484 389 D N -1.332 118.914 120.400 -0.257 0.000 3.012 389 D HA -0.193 4.443 4.640 -0.008 0.000 0.222 389 D C -0.233 176.011 176.300 -0.092 0.000 1.167 389 D CA 1.768 55.693 54.000 -0.124 0.000 0.854 389 D CB -0.932 39.819 40.800 -0.080 0.000 1.107 389 D HN 0.631 nan 8.370 nan 0.000 0.421 390 D N -1.807 118.526 120.400 -0.113 0.000 2.954 390 D HA 0.198 4.833 4.640 -0.008 0.000 0.137 390 D C -0.038 176.207 176.300 -0.093 0.000 1.293 390 D CA -0.302 53.650 54.000 -0.081 0.000 1.560 390 D CB -0.023 40.743 40.800 -0.056 0.000 1.654 390 D HN -0.062 nan 8.370 nan 0.000 0.193 391 N N 0.286 118.939 118.700 -0.078 0.000 2.282 391 N HA 0.212 4.947 4.740 -0.008 0.000 0.240 391 N C -0.978 174.508 175.510 -0.040 0.000 1.182 391 N CA 0.125 53.124 53.050 -0.084 0.000 0.874 391 N CB 1.161 39.606 38.487 -0.070 0.000 1.126 391 N HN 0.323 nan 8.380 nan 0.000 0.516 392 Q N 1.052 120.826 119.800 -0.043 0.000 2.330 392 Q HA 0.574 4.909 4.340 -0.008 0.000 0.269 392 Q C -0.423 175.544 176.000 -0.054 0.000 1.022 392 Q CA -0.509 55.338 55.803 0.072 0.000 0.796 392 Q CB 2.552 31.430 28.738 0.233 0.000 1.271 392 Q HN 0.275 nan 8.270 nan 0.000 0.450 393 I N -1.523 119.101 120.570 0.089 0.000 2.969 393 I HA 1.017 5.183 4.170 -0.008 0.000 0.307 393 I C -1.369 174.836 176.117 0.148 0.000 1.149 393 I CA -1.154 60.094 61.300 -0.087 0.000 1.008 393 I CB 2.406 40.244 38.000 -0.271 0.000 1.232 393 I HN 0.587 nan 8.210 nan 0.000 0.435 394 A N 3.218 126.024 122.820 -0.022 0.000 2.604 394 A HA 0.903 5.218 4.320 -0.008 0.000 0.295 394 A C -1.384 176.162 177.584 -0.063 0.000 1.067 394 A CA -0.513 51.464 52.037 -0.101 0.000 0.683 394 A CB 1.540 20.563 19.000 0.038 0.000 1.281 394 A HN 1.321 nan 8.150 nan 0.000 0.407 395 F N -0.636 119.151 119.950 -0.271 0.000 2.719 395 F HA 0.791 5.314 4.527 -0.008 0.000 0.309 395 F C -0.303 175.512 175.800 0.025 0.000 1.138 395 F CA -0.262 57.753 58.000 0.024 0.000 0.943 395 F CB 0.874 40.021 39.000 0.245 0.000 1.304 395 F HN 0.963 nan 8.300 nan 0.000 0.445 396 S N 1.379 117.359 115.700 0.466 0.000 2.621 396 S HA 0.749 5.215 4.470 -0.008 0.000 0.302 396 S C -0.864 173.994 174.600 0.429 0.000 1.093 396 S CA -0.996 57.442 58.200 0.397 0.000 1.017 396 S CB 1.958 65.385 63.200 0.380 0.000 1.077 396 S HN 0.762 nan 8.310 nan 0.000 0.517 397 R N 1.415 122.099 120.500 0.306 0.000 2.287 397 R HA 0.507 4.842 4.340 -0.008 0.000 0.316 397 R C 1.251 177.623 176.300 0.120 0.000 1.050 397 R CA 0.519 56.757 56.100 0.230 0.000 0.983 397 R CB -0.032 30.383 30.300 0.192 0.000 1.140 397 R HN 1.227 nan 8.270 nan 0.000 0.528 398 G N 2.062 110.936 108.800 0.124 0.000 2.611 398 G HA2 -0.384 3.571 3.960 -0.008 0.000 0.301 398 G HA3 -0.384 3.571 3.960 -0.008 0.000 0.301 398 G C 0.176 175.124 174.900 0.081 0.000 1.233 398 G CA 0.603 45.752 45.100 0.083 0.000 0.993 398 G HN 0.594 nan 8.290 nan 0.000 0.553 399 S N -0.894 114.834 115.700 0.048 0.000 2.711 399 S HA 0.511 4.976 4.470 -0.008 0.000 0.247 399 S C 0.984 175.596 174.600 0.021 0.000 1.079 399 S CA 0.713 58.936 58.200 0.038 0.000 1.050 399 S CB 1.220 64.440 63.200 0.033 0.000 0.885 399 S HN 0.697 nan 8.310 nan 0.000 0.498 400 Q N 0.591 120.391 119.800 0.000 0.000 2.353 400 Q HA 0.418 4.754 4.340 -0.008 0.000 0.240 400 Q C 0.763 176.704 176.000 -0.100 0.000 0.868 400 Q CA 0.281 56.061 55.803 -0.038 0.000 0.944 400 Q CB 1.171 29.864 28.738 -0.075 0.000 1.104 400 Q HN 0.685 nan 8.270 nan 0.000 0.531 401 G N 0.075 108.815 108.800 -0.100 0.000 2.698 401 G HA2 0.522 4.477 3.960 -0.008 0.000 0.293 401 G HA3 0.522 4.477 3.960 -0.008 0.000 0.293 401 G C -2.254 172.781 174.900 0.226 0.000 1.437 401 G CA -0.498 44.529 45.100 -0.122 0.000 0.852 401 G HN 0.035 nan 8.290 nan 0.000 0.499 402 F N 0.801 120.865 119.950 0.191 0.000 2.581 402 F HA 0.760 5.290 4.527 0.006 0.000 0.311 402 F C -1.293 174.488 175.800 -0.032 0.000 1.113 402 F CA -0.910 57.117 58.000 0.045 0.000 0.935 402 F CB 2.299 41.242 39.000 -0.096 0.000 1.232 402 F HN 0.573 nan 8.300 nan 0.000 0.445 403 V N 4.724 123.999 119.914 -1.066 0.000 2.925 403 V HA 0.964 5.080 4.120 -0.008 0.000 0.311 403 V C -1.550 173.821 176.094 -1.205 0.000 1.104 403 V CA -0.130 61.547 62.300 -1.039 0.000 0.954 403 V CB 1.814 33.014 31.823 -1.038 0.000 1.022 403 V HN 1.254 nan 8.190 nan 0.000 0.427 404 A N 5.062 127.360 122.820 -0.869 0.000 2.475 404 A HA 0.978 5.293 4.320 -0.008 0.000 0.301 404 A C -1.702 175.576 177.584 -0.509 0.000 1.059 404 A CA -0.424 51.322 52.037 -0.486 0.000 0.710 404 A CB 1.540 20.397 19.000 -0.238 0.000 1.288 404 A HN 0.759 nan 8.150 nan 0.000 0.408 405 F N -0.319 119.603 119.950 -0.047 0.000 2.599 405 F HA 0.792 5.315 4.527 -0.007 0.000 0.311 405 F C 0.341 176.176 175.800 0.057 0.000 1.076 405 F CA -0.397 57.623 58.000 0.033 0.000 0.937 405 F CB 2.836 41.910 39.000 0.123 0.000 1.282 405 F HN 0.504 nan 8.300 nan 0.000 0.460 406 T N 0.794 115.505 114.554 0.262 0.000 3.109 406 T HA 0.310 4.655 4.350 -0.008 0.000 0.311 406 T C -0.979 173.804 174.700 0.138 0.000 1.011 406 T CA -0.443 61.755 62.100 0.165 0.000 1.026 406 T CB 0.683 69.621 68.868 0.117 0.000 1.047 406 T HN 0.613 nan 8.240 nan 0.000 0.448 407 N N 2.892 121.639 118.700 0.079 0.000 2.351 407 N HA 0.423 5.159 4.740 -0.008 0.000 0.254 407 N C -0.239 175.281 175.510 0.017 0.000 1.241 407 N CA 0.033 53.111 53.050 0.048 0.000 0.883 407 N CB 0.847 39.322 38.487 -0.020 0.000 1.202 407 N HN 0.913 nan 8.380 nan 0.000 0.512 408 G N -0.757 108.061 108.800 0.030 0.000 1.885 408 G HA2 0.499 4.455 3.960 -0.008 0.000 0.309 408 G HA3 0.499 4.455 3.960 -0.008 0.000 0.309 408 G C -0.171 174.750 174.900 0.034 0.000 1.751 408 G CA 0.034 45.146 45.100 0.020 0.000 0.949 408 G HN 0.409 nan 8.290 nan 0.000 0.564 409 G N 1.697 110.518 108.800 0.034 0.000 2.781 409 G HA2 0.149 4.105 3.960 -0.008 0.000 0.683 409 G HA3 0.149 4.105 3.960 -0.008 0.000 0.683 409 G C -0.675 174.254 174.900 0.048 0.000 1.390 409 G CA -0.370 44.753 45.100 0.039 0.000 0.850 409 G HN 0.758 nan 8.290 nan 0.000 0.557 410 D N -0.240 120.186 120.400 0.043 0.000 2.304 410 D HA 0.419 5.054 4.640 -0.008 0.000 0.250 410 D C 0.574 176.907 176.300 0.054 0.000 1.107 410 D CA -0.119 53.905 54.000 0.039 0.000 0.885 410 D CB 1.665 42.480 40.800 0.024 0.000 1.192 410 D HN 0.503 nan 8.370 nan 0.000 0.436 411 L N 2.735 123.988 121.223 0.051 0.000 2.257 411 L HA 0.312 4.647 4.340 -0.008 0.000 0.290 411 L C -0.764 176.104 176.870 -0.002 0.000 1.044 411 L CA -0.401 54.471 54.840 0.054 0.000 0.810 411 L CB 0.160 42.260 42.059 0.068 0.000 1.193 411 L HN 0.257 nan 8.230 nan 0.000 0.425 412 N N 4.029 122.720 118.700 -0.015 0.000 2.607 412 N HA 0.384 5.119 4.740 -0.008 0.000 0.271 412 N C -1.612 173.852 175.510 -0.077 0.000 1.142 412 N CA -0.587 52.437 53.050 -0.043 0.000 0.810 412 N CB 1.235 39.711 38.487 -0.018 0.000 1.306 412 N HN 0.478 nan 8.380 nan 0.000 0.536 413 Q N 0.675 120.384 119.800 -0.152 0.000 2.435 413 Q HA 0.307 4.643 4.340 -0.008 0.000 0.282 413 Q C -1.423 174.437 176.000 -0.232 0.000 1.020 413 Q CA -0.687 54.984 55.803 -0.220 0.000 0.820 413 Q CB 2.373 30.839 28.738 -0.454 0.000 1.436 413 Q HN 0.443 nan 8.270 nan 0.000 0.395 414 N N 2.284 120.860 118.700 -0.206 0.000 2.426 414 N HA 0.410 5.146 4.740 -0.008 0.000 0.257 414 N C -1.227 174.132 175.510 -0.252 0.000 1.002 414 N CA 0.067 53.002 53.050 -0.192 0.000 0.942 414 N CB 0.554 38.965 38.487 -0.127 0.000 1.112 414 N HN 0.454 nan 8.380 nan 0.000 0.499 415 L N 2.265 123.308 121.223 -0.301 0.000 2.341 415 L HA 0.412 4.748 4.340 -0.008 0.000 0.267 415 L C 0.683 177.381 176.870 -0.287 0.000 1.009 415 L CA -0.962 53.690 54.840 -0.313 0.000 0.819 415 L CB 1.900 43.755 42.059 -0.339 0.000 1.323 415 L HN 0.500 nan 8.230 nan 0.000 0.425 416 N N 0.226 118.824 118.700 -0.169 0.000 2.402 416 N HA 0.016 4.752 4.740 -0.008 0.000 0.252 416 N C 0.838 176.230 175.510 -0.198 0.000 1.118 416 N CA -0.102 52.863 53.050 -0.141 0.000 0.945 416 N CB 0.939 39.412 38.487 -0.024 0.000 1.147 416 N HN 0.798 nan 8.380 nan 0.000 0.495 417 T N 0.787 115.079 114.554 -0.437 0.000 3.085 417 T HA 0.121 4.467 4.350 -0.008 0.000 0.263 417 T C 1.511 176.125 174.700 -0.143 0.000 1.127 417 T CA 0.627 62.349 62.100 -0.631 0.000 1.103 417 T CB -0.151 68.154 68.868 -0.938 0.000 0.921 417 T HN 0.650 nan 8.240 nan 0.000 0.510 418 G N 1.100 109.847 108.800 -0.089 0.000 2.175 418 G HA2 -0.240 3.715 3.960 -0.008 0.000 0.265 418 G HA3 -0.240 3.715 3.960 -0.008 0.000 0.265 418 G C -0.033 174.850 174.900 -0.027 0.000 0.979 418 G CA 0.568 45.663 45.100 -0.008 0.000 0.663 418 G HN 0.644 nan 8.290 nan 0.000 0.533 419 L N 0.411 121.573 121.223 -0.101 0.000 2.375 419 L HA 0.516 4.851 4.340 -0.008 0.000 0.268 419 L C -1.718 175.147 176.870 -0.010 0.000 1.058 419 L CA -2.418 52.368 54.840 -0.090 0.000 0.803 419 L CB 1.180 43.053 42.059 -0.310 0.000 1.212 419 L HN -0.138 nan 8.230 nan 0.000 0.451 420 P HA 0.079 nan 4.420 nan 0.000 0.272 420 P C -0.909 176.483 177.300 0.154 0.000 1.223 420 P CA -0.335 62.827 63.100 0.103 0.000 0.784 420 P CB 0.590 32.359 31.700 0.114 0.000 0.923 421 A N 1.841 124.711 122.820 0.083 0.000 2.498 421 A HA 0.528 4.843 4.320 -0.008 0.000 0.239 421 A C 0.756 178.390 177.584 0.083 0.000 1.068 421 A CA 1.173 53.255 52.037 0.076 0.000 0.766 421 A CB -0.971 18.044 19.000 0.024 0.000 1.003 421 A HN 0.742 nan 8.150 nan 0.000 0.497 422 G N 0.007 108.865 108.800 0.096 0.000 2.337 422 G HA2 0.451 4.407 3.960 -0.008 0.000 0.298 422 G HA3 0.451 4.407 3.960 -0.008 0.000 0.298 422 G C -0.816 174.070 174.900 -0.023 0.000 1.335 422 G CA -0.241 44.829 45.100 -0.050 0.000 0.875 422 G HN 0.932 nan 8.290 nan 0.000 0.579 423 T N 0.974 115.424 114.554 -0.174 0.000 2.758 423 T HA 0.630 4.975 4.350 -0.008 0.000 0.285 423 T C -1.183 173.386 174.700 -0.219 0.000 0.981 423 T CA 0.086 62.139 62.100 -0.078 0.000 0.965 423 T CB 0.712 69.539 68.868 -0.068 0.000 0.927 423 T HN 0.369 nan 8.240 nan 0.000 0.448 424 Y N 0.666 120.930 120.300 -0.061 0.000 2.409 424 Y HA 0.418 4.955 4.550 -0.021 0.000 0.339 424 Y C 0.408 176.268 175.900 -0.067 0.000 1.033 424 Y CA -1.203 56.853 58.100 -0.073 0.000 1.094 424 Y CB 0.995 39.415 38.460 -0.067 0.000 1.210 424 Y HN 0.583 nan 8.280 nan 0.000 0.456 425 c N 2.530 121.161 118.600 0.052 0.000 2.394 425 c HA 0.163 4.728 4.570 -0.008 0.000 0.362 425 c C 0.331 174.434 174.090 0.022 0.000 1.268 425 c CA -0.863 55.475 56.329 0.015 0.000 1.828 425 c CB -0.686 41.813 42.510 -0.018 0.000 2.442 425 c HN 0.759 nan 8.230 nan 0.000 0.549 426 D N 1.916 122.328 120.400 0.019 0.000 2.401 426 D HA 0.091 4.726 4.640 -0.008 0.000 0.254 426 D C 1.045 177.346 176.300 0.003 0.000 1.192 426 D CA -0.151 53.854 54.000 0.009 0.000 0.885 426 D CB 0.966 41.758 40.800 -0.013 0.000 1.147 426 D HN 0.468 nan 8.370 nan 0.000 0.478 427 V N 2.617 122.543 119.914 0.021 0.000 3.573 427 V HA 0.023 4.138 4.120 -0.008 0.000 0.270 427 V C 1.508 177.584 176.094 -0.031 0.000 1.221 427 V CA 0.258 62.576 62.300 0.030 0.000 1.163 427 V CB -0.589 31.316 31.823 0.136 0.000 0.847 427 V HN 0.516 nan 8.190 nan 0.000 0.468 428 I N 2.100 122.635 120.570 -0.058 0.000 2.512 428 I HA -0.013 4.152 4.170 -0.008 0.000 0.247 428 I C 2.705 178.778 176.117 -0.072 0.000 1.094 428 I CA 1.917 63.164 61.300 -0.088 0.000 1.427 428 I CB -0.990 36.939 38.000 -0.118 0.000 1.149 428 I HN 0.581 nan 8.210 nan 0.000 0.438 429 S N -0.200 115.467 115.700 -0.055 0.000 2.527 429 S HA 0.282 4.747 4.470 -0.008 0.000 0.222 429 S C 1.025 175.609 174.600 -0.027 0.000 0.985 429 S CA 0.462 58.637 58.200 -0.043 0.000 0.921 429 S CB 0.091 63.270 63.200 -0.036 0.000 0.772 429 S HN 0.476 nan 8.310 nan 0.000 0.529 430 G N 0.449 109.237 108.800 -0.019 0.000 2.529 430 G HA2 0.555 4.511 3.960 -0.008 0.000 0.238 430 G HA3 0.555 4.511 3.960 -0.008 0.000 0.238 430 G C -1.948 172.964 174.900 0.021 0.000 1.207 430 G CA -0.266 44.836 45.100 0.004 0.000 0.928 430 G HN 0.497 nan 8.290 nan 0.000 0.495 431 E N -1.473 118.750 120.200 0.038 0.000 2.422 431 E HA 0.454 4.800 4.350 -0.008 0.000 0.280 431 E C -1.825 174.796 176.600 0.035 0.000 1.091 431 E CA -0.996 55.438 56.400 0.056 0.000 0.849 431 E CB 1.834 31.606 29.700 0.120 0.000 1.353 431 E HN 0.763 nan 8.360 nan 0.000 0.449 432 L N 1.503 122.741 121.223 0.025 0.000 2.315 432 L HA 0.474 4.809 4.340 -0.008 0.000 0.283 432 L C -0.841 176.041 176.870 0.019 0.000 1.089 432 L CA 0.542 55.384 54.840 0.003 0.000 0.833 432 L CB 0.989 43.035 42.059 -0.022 0.000 1.170 432 L HN 0.574 nan 8.230 nan 0.000 0.442 433 S N 3.527 119.236 115.700 0.014 0.000 2.614 433 S HA 0.612 5.077 4.470 -0.008 0.000 0.288 433 S C 0.412 175.017 174.600 0.008 0.000 1.137 433 S CA -0.093 58.119 58.200 0.020 0.000 0.992 433 S CB 0.994 64.215 63.200 0.034 0.000 1.026 433 S HN 1.447 nan 8.310 nan 0.000 0.486 434 G N 2.820 111.623 108.800 0.005 0.000 2.305 434 G HA2 -0.017 3.938 3.960 -0.008 0.000 0.287 434 G HA3 -0.017 3.938 3.960 -0.008 0.000 0.287 434 G C 1.217 176.112 174.900 -0.009 0.000 1.036 434 G CA 0.781 45.881 45.100 -0.001 0.000 0.887 434 G HN 2.208 nan 8.290 nan 0.000 0.505 435 G N -2.291 106.500 108.800 -0.015 0.000 2.143 435 G HA2 0.181 4.136 3.960 -0.008 0.000 0.248 435 G HA3 0.181 4.136 3.960 -0.008 0.000 0.248 435 G C 0.543 175.427 174.900 -0.028 0.000 0.991 435 G CA 1.362 46.447 45.100 -0.025 0.000 0.689 435 G HN 2.600 nan 8.290 nan 0.000 0.522 436 S N -2.126 113.561 115.700 -0.021 0.000 2.638 436 S HA 0.695 5.160 4.470 -0.008 0.000 0.274 436 S C -0.302 174.288 174.600 -0.016 0.000 1.157 436 S CA -0.422 57.765 58.200 -0.021 0.000 0.826 436 S CB 1.999 65.190 63.200 -0.014 0.000 1.139 436 S HN 0.894 nan 8.310 nan 0.000 0.474 437 c N 2.212 120.802 118.600 -0.016 0.000 2.369 437 c HA 0.603 5.169 4.570 -0.008 0.000 0.358 437 c C 2.255 176.345 174.090 -0.001 0.000 1.274 437 c CA 0.082 56.406 56.329 -0.009 0.000 1.935 437 c CB 0.258 42.761 42.510 -0.011 0.000 2.431 437 c HN 1.076 nan 8.230 nan 0.000 0.545 438 T N 0.118 114.677 114.554 0.008 0.000 3.067 438 T HA 0.196 4.541 4.350 -0.008 0.000 0.261 438 T C 0.956 175.659 174.700 0.006 0.000 1.110 438 T CA 0.887 62.994 62.100 0.012 0.000 1.113 438 T CB 0.126 69.010 68.868 0.027 0.000 0.917 438 T HN 0.825 nan 8.240 nan 0.000 0.499 439 G N 0.668 109.469 108.800 0.002 0.000 3.234 439 G HA2 0.536 4.491 3.960 -0.008 0.000 0.159 439 G HA3 0.536 4.491 3.960 -0.008 0.000 0.159 439 G C -1.005 173.890 174.900 -0.007 0.000 1.175 439 G CA -1.095 44.002 45.100 -0.005 0.000 0.900 439 G HN 0.295 nan 8.290 nan 0.000 0.621 440 K N 0.317 120.711 120.400 -0.011 0.000 2.319 440 K HA 0.428 4.744 4.320 -0.008 0.000 0.265 440 K C -0.153 176.445 176.600 -0.003 0.000 1.000 440 K CA 0.190 56.470 56.287 -0.011 0.000 0.943 440 K CB 1.070 33.559 32.500 -0.017 0.000 0.950 440 K HN 0.548 nan 8.250 nan 0.000 0.485 441 S N -0.456 115.244 115.700 -0.000 0.000 2.570 441 S HA 0.599 5.064 4.470 -0.008 0.000 0.286 441 S C -0.725 173.885 174.600 0.017 0.000 1.099 441 S CA -0.974 57.235 58.200 0.014 0.000 0.913 441 S CB 1.724 64.927 63.200 0.005 0.000 1.085 441 S HN 0.224 nan 8.310 nan 0.000 0.480 442 V N 1.592 121.534 119.914 0.047 0.000 2.588 442 V HA 0.531 4.646 4.120 -0.008 0.000 0.304 442 V C -0.372 175.762 176.094 0.067 0.000 1.042 442 V CA -0.520 61.795 62.300 0.025 0.000 0.877 442 V CB 2.035 33.852 31.823 -0.009 0.000 0.996 442 V HN 1.050 nan 8.190 nan 0.000 0.425 443 T N 4.432 118.998 114.554 0.019 0.000 2.733 443 T HA 0.474 4.820 4.350 -0.008 0.000 0.294 443 T C -0.189 174.514 174.700 0.004 0.000 0.956 443 T CA -0.218 61.901 62.100 0.032 0.000 0.987 443 T CB 1.170 70.037 68.868 -0.001 0.000 0.920 443 T HN 0.355 nan 8.240 nan 0.000 0.470 444 V N 3.709 123.657 119.914 0.056 0.000 2.407 444 V HA 0.600 4.715 4.120 -0.008 0.000 0.278 444 V C 1.073 177.168 176.094 0.001 0.000 1.037 444 V CA -0.640 61.653 62.300 -0.012 0.000 0.900 444 V CB 1.434 33.253 31.823 -0.007 0.000 0.983 444 V HN 0.993 nan 8.190 nan 0.000 0.459 445 G N 2.296 111.073 108.800 -0.038 0.000 2.588 445 G HA2 0.200 4.155 3.960 -0.008 0.000 0.281 445 G HA3 0.200 4.155 3.960 -0.008 0.000 0.281 445 G C 0.529 175.417 174.900 -0.020 0.000 1.236 445 G CA -0.282 44.801 45.100 -0.028 0.000 0.969 445 G HN 0.686 nan 8.290 nan 0.000 0.504 446 D N -0.303 120.088 120.400 -0.016 0.000 2.149 446 D HA -0.162 4.474 4.640 -0.008 0.000 0.198 446 D C 1.893 178.185 176.300 -0.014 0.000 0.990 446 D CA 1.536 55.530 54.000 -0.010 0.000 0.839 446 D CB -0.132 40.663 40.800 -0.009 0.000 0.948 446 D HN 0.719 nan 8.370 nan 0.000 0.460 447 N N -0.644 118.042 118.700 -0.023 0.000 2.362 447 N HA 0.144 4.880 4.740 -0.008 0.000 0.211 447 N C 1.235 176.720 175.510 -0.040 0.000 1.170 447 N CA 0.426 53.461 53.050 -0.024 0.000 0.828 447 N CB 0.488 38.961 38.487 -0.023 0.000 1.034 447 N HN 0.081 nan 8.380 nan 0.000 0.475 448 G N 0.804 109.574 108.800 -0.051 0.000 2.228 448 G HA2 -0.404 3.551 3.960 -0.008 0.000 0.270 448 G HA3 -0.404 3.551 3.960 -0.008 0.000 0.270 448 G C 0.268 175.078 174.900 -0.149 0.000 0.976 448 G CA 0.747 45.794 45.100 -0.088 0.000 0.636 448 G HN 0.713 nan 8.290 nan 0.000 0.542 449 S N -0.308 115.317 115.700 -0.125 0.000 2.592 449 S HA 0.852 5.317 4.470 -0.008 0.000 0.271 449 S C 0.100 174.591 174.600 -0.182 0.000 1.326 449 S CA 0.679 58.782 58.200 -0.161 0.000 1.024 449 S CB 2.249 65.383 63.200 -0.111 0.000 0.921 449 S HN 2.050 nan 8.310 nan 0.000 0.527 450 A N 1.268 123.948 122.820 -0.233 0.000 2.594 450 A HA 0.581 4.896 4.320 -0.008 0.000 0.295 450 A C -1.571 175.894 177.584 -0.199 0.000 1.071 450 A CA -0.939 50.972 52.037 -0.211 0.000 0.685 450 A CB 1.128 19.965 19.000 -0.272 0.000 1.285 450 A HN 0.769 nan 8.150 nan 0.000 0.405 451 D N 2.240 122.555 120.400 -0.142 0.000 2.365 451 D HA 0.349 4.984 4.640 -0.008 0.000 0.237 451 D C -0.249 175.980 176.300 -0.117 0.000 1.190 451 D CA 0.253 54.179 54.000 -0.123 0.000 0.867 451 D CB 0.699 41.449 40.800 -0.085 0.000 1.050 451 D HN 0.289 nan 8.370 nan 0.000 0.491 452 I N 2.043 122.532 120.570 -0.135 0.000 2.331 452 I HA 0.150 4.316 4.170 -0.008 0.000 0.292 452 I C 0.704 176.774 176.117 -0.079 0.000 0.998 452 I CA -0.628 60.615 61.300 -0.096 0.000 1.267 452 I CB 0.875 38.828 38.000 -0.077 0.000 1.386 452 I HN 0.166 nan 8.210 nan 0.000 0.476 453 S N 7.331 123.001 115.700 -0.051 0.000 2.594 453 S HA 0.759 5.225 4.470 -0.008 0.000 0.296 453 S C -1.081 173.502 174.600 -0.028 0.000 1.124 453 S CA -0.712 57.465 58.200 -0.038 0.000 1.011 453 S CB 2.102 65.283 63.200 -0.033 0.000 1.016 453 S HN 0.428 nan 8.310 nan 0.000 0.485 454 L N 3.204 124.416 121.223 -0.018 0.000 2.555 454 L HA 0.716 5.052 4.340 -0.008 0.000 0.264 454 L C 0.078 176.949 176.870 0.002 0.000 0.972 454 L CA 0.119 54.950 54.840 -0.015 0.000 0.876 454 L CB 1.299 43.344 42.059 -0.022 0.000 1.216 454 L HN 1.027 nan 8.230 nan 0.000 0.415 455 G N 1.646 110.445 108.800 -0.001 0.000 2.432 455 G HA2 0.362 4.318 3.960 -0.008 0.000 0.257 455 G HA3 0.362 4.318 3.960 -0.008 0.000 0.257 455 G C 0.840 175.748 174.900 0.013 0.000 1.238 455 G CA 0.176 45.280 45.100 0.007 0.000 0.838 455 G HN 0.874 nan 8.290 nan 0.000 0.547 456 S N 1.104 116.817 115.700 0.021 0.000 2.469 456 S HA -0.035 4.430 4.470 -0.008 0.000 0.238 456 S C 1.950 176.561 174.600 0.019 0.000 0.998 456 S CA 1.038 59.254 58.200 0.027 0.000 0.957 456 S CB 0.087 63.304 63.200 0.029 0.000 0.764 456 S HN 0.938 nan 8.310 nan 0.000 0.514 457 A N 0.736 123.563 122.820 0.011 0.000 2.345 457 A HA 0.309 4.624 4.320 -0.008 0.000 0.225 457 A C 0.666 178.250 177.584 0.000 0.000 1.243 457 A CA -0.439 51.602 52.037 0.006 0.000 0.875 457 A CB -0.080 18.922 19.000 0.004 0.000 0.929 457 A HN 0.583 nan 8.150 nan 0.000 0.502 458 E N 0.254 120.453 120.200 -0.001 0.000 2.371 458 E HA 0.075 4.421 4.350 -0.008 0.000 0.257 458 E C -0.177 176.415 176.600 -0.013 0.000 1.134 458 E CA -0.498 55.896 56.400 -0.010 0.000 0.919 458 E CB 0.435 30.125 29.700 -0.015 0.000 1.025 458 E HN 0.207 nan 8.360 nan 0.000 0.438 459 D N 0.678 121.064 120.400 -0.023 0.000 2.182 459 D HA -0.092 4.543 4.640 -0.008 0.000 0.201 459 D C -0.159 176.124 176.300 -0.028 0.000 0.986 459 D CA 1.505 55.486 54.000 -0.032 0.000 0.847 459 D CB 0.100 40.871 40.800 -0.048 0.000 0.942 459 D HN 0.309 nan 8.370 nan 0.000 0.467 460 D N -1.600 118.783 120.400 -0.028 0.000 2.527 460 D HA 0.382 5.018 4.640 -0.008 0.000 0.233 460 D C 0.589 176.883 176.300 -0.010 0.000 1.063 460 D CA -0.552 53.434 54.000 -0.023 0.000 0.880 460 D CB 2.072 42.842 40.800 -0.050 0.000 1.457 460 D HN -0.022 nan 8.370 nan 0.000 0.475 461 G N -0.114 108.697 108.800 0.019 0.000 3.605 461 G HA2 0.359 4.314 3.960 -0.008 0.000 0.277 461 G HA3 0.359 4.314 3.960 -0.008 0.000 0.277 461 G C -0.273 174.641 174.900 0.022 0.000 1.093 461 G CA -0.064 45.069 45.100 0.056 0.000 0.821 461 G HN 0.255 nan 8.290 nan 0.000 0.532 462 V N -0.006 119.837 119.914 -0.118 0.000 2.971 462 V HA 0.810 4.926 4.120 -0.008 0.000 0.309 462 V C -1.678 174.219 176.094 -0.329 0.000 1.130 462 V CA -1.060 61.011 62.300 -0.381 0.000 0.964 462 V CB 2.465 33.958 31.823 -0.551 0.000 1.029 462 V HN 0.145 nan 8.190 nan 0.000 0.427 463 L N 5.642 126.618 121.223 -0.412 0.000 2.408 463 L HA 1.018 5.353 4.340 -0.008 0.000 0.268 463 L C -0.616 176.057 176.870 -0.328 0.000 0.986 463 L CA -0.107 54.576 54.840 -0.261 0.000 0.820 463 L CB 1.887 43.855 42.059 -0.153 0.000 1.303 463 L HN 0.985 nan 8.230 nan 0.000 0.411 464 A N 6.182 128.882 122.820 -0.200 0.000 2.427 464 A HA 0.777 5.092 4.320 -0.008 0.000 0.298 464 A C -1.191 176.452 177.584 0.097 0.000 1.036 464 A CA -0.507 51.439 52.037 -0.151 0.000 0.701 464 A CB 1.249 20.058 19.000 -0.319 0.000 1.250 464 A HN 0.790 nan 8.150 nan 0.000 0.412 465 I N 0.132 120.844 120.570 0.236 0.000 2.730 465 I HA 0.930 5.095 4.170 -0.008 0.000 0.298 465 I C -0.698 175.582 176.117 0.272 0.000 1.089 465 I CA -0.922 60.492 61.300 0.190 0.000 1.041 465 I CB 2.354 40.376 38.000 0.037 0.000 1.235 465 I HN 0.948 nan 8.210 nan 0.000 0.423 466 H N 1.725 120.899 119.070 0.173 0.000 3.008 466 H HA 0.481 5.033 4.556 -0.007 0.000 0.354 466 H C 0.270 175.730 175.328 0.220 0.000 1.252 466 H CA -0.628 55.444 56.048 0.039 0.000 1.117 466 H CB 1.272 30.913 29.762 -0.202 0.000 1.857 466 H HN 0.410 nan 8.280 nan 0.000 0.547 467 V N -1.293 118.793 119.914 0.286 0.000 3.026 467 V HA -0.078 4.037 4.120 -0.008 0.000 0.265 467 V C 0.512 176.686 176.094 0.133 0.000 1.121 467 V CA 1.866 64.313 62.300 0.246 0.000 1.142 467 V CB -1.011 30.909 31.823 0.161 0.000 0.730 467 V HN 0.780 nan 8.190 nan 0.000 0.503 468 N N 0.801 119.655 118.700 0.258 0.000 2.280 468 N HA 0.501 5.236 4.740 -0.008 0.000 0.192 468 N C 0.697 176.202 175.510 -0.008 0.000 1.109 468 N CA 0.519 53.674 53.050 0.174 0.000 0.855 468 N CB 0.394 39.055 38.487 0.290 0.000 0.974 468 N HN 0.590 nan 8.380 nan 0.000 0.482 469 A N 1.059 123.724 122.820 -0.258 0.000 3.176 469 A HA 0.208 4.524 4.320 -0.008 0.000 0.265 469 A C -0.335 177.132 177.584 -0.195 0.000 0.936 469 A CA -0.390 51.495 52.037 -0.253 0.000 1.033 469 A CB 0.145 18.890 19.000 -0.424 0.000 1.158 469 A HN 0.031 nan 8.150 nan 0.000 0.485 470 K N 1.063 121.329 120.400 -0.223 0.000 2.221 470 K HA 0.712 5.027 4.320 -0.008 0.000 0.258 470 K C -0.419 176.013 176.600 -0.280 0.000 0.944 470 K CA -0.631 55.404 56.287 -0.420 0.000 0.823 470 K CB 1.081 33.243 32.500 -0.564 0.000 1.113 470 K HN 0.465 nan 8.250 nan 0.000 0.431 471 L N 0.000 121.057 121.223 -0.276 0.000 2.949 471 L HA 0.000 4.335 4.340 -0.008 0.000 0.249 471 L CA 0.000 54.737 54.840 -0.171 0.000 0.813 471 L CB 0.000 41.978 42.059 -0.135 0.000 0.961 471 L HN 0.000 nan 8.230 nan 0.000 0.502