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 1m35_1_A DATA FIRST_RESID 1 DATA SEQUENCE SEISRQEFQR RRQALVEQMQ PGSAALIFAA PEVTRSADSE YPYRQNSDFW DATA SEQUENCE YFTGFNEPEA VLVLIKSDDT HNHSVLFNRV RDLTAEIWFG RRLGQDAAPE DATA SEQUENCE KLGVDRALAF SEINQQLYQL LNGLDVVYHA QGEYAYADVI VNSALEKLRK DATA SEQUENCE GSRQNLTAPA TMIDWRPVVH EMRLFKSPEE IAVLRRAGEI TAMAHTRAME DATA SEQUENCE KCRPGMFEYH LEGEIHHEFN RHGARYPSYN TIVGSGENGC ILHYTENECE DATA SEQUENCE MRDGDLVLID AGCEYKGYAG DITRTFPVNG KFTQAQREIY DIVLESLETS DATA SEQUENCE LRLYRPGTSI LEVTGEVVRI MVSGLVKLGI LKGDVDELIA QNAHRPFFMH DATA SEQUENCE GLSHWLGLDV HDVGVYGQDR SRILEPGMVL TVEPGLYIAP DAEVPEQYRG DATA SEQUENCE IGIRIEDDIV ITETGNENLT ASVVKKPEEI EALMVAARKQ 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 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.665 174.600 0.108 0.000 1.055 1 S CA 0.000 58.287 58.200 0.146 0.000 1.107 1 S CB 0.000 63.278 63.200 0.130 0.000 0.593 2 E N 0.780 121.005 120.200 0.041 0.000 2.393 2 E HA 0.649 4.999 4.350 0.001 0.000 0.273 2 E C -1.501 175.076 176.600 -0.039 0.000 0.918 2 E CA -0.717 55.693 56.400 0.016 0.000 0.773 2 E CB 0.849 30.567 29.700 0.030 0.000 1.275 2 E HN 0.434 nan 8.360 nan 0.000 0.451 3 I N 3.083 123.618 120.570 -0.058 0.000 2.304 3 I HA 0.223 4.394 4.170 0.001 0.000 0.291 3 I C 0.353 176.321 176.117 -0.248 0.000 1.018 3 I CA -0.276 60.877 61.300 -0.245 0.000 1.260 3 I CB 0.284 38.044 38.000 -0.401 0.000 1.390 3 I HN 0.581 nan 8.210 nan 0.000 0.475 4 S N 6.854 122.411 115.700 -0.238 0.000 2.624 4 S HA 0.366 4.836 4.470 0.001 0.000 0.263 4 S C 1.247 175.787 174.600 -0.101 0.000 1.287 4 S CA -0.541 57.586 58.200 -0.123 0.000 0.990 4 S CB 1.381 64.525 63.200 -0.093 0.000 0.950 4 S HN 0.577 nan 8.310 nan 0.000 0.561 5 R N 0.523 121.042 120.500 0.032 0.000 2.081 5 R HA -0.118 4.222 4.340 0.001 0.000 0.235 5 R C 2.585 178.904 176.300 0.032 0.000 1.131 5 R CA 1.837 58.001 56.100 0.106 0.000 0.960 5 R CB -0.510 29.821 30.300 0.052 0.000 0.856 5 R HN 0.739 nan 8.270 nan 0.000 0.436 6 Q N 0.270 120.052 119.800 -0.030 0.000 2.135 6 Q HA -0.237 4.103 4.340 0.001 0.000 0.204 6 Q C 2.012 177.959 176.000 -0.089 0.000 0.981 6 Q CA 1.722 57.495 55.803 -0.050 0.000 0.856 6 Q CB -0.019 28.686 28.738 -0.055 0.000 0.902 6 Q HN 0.391 nan 8.270 nan 0.000 0.425 7 E N -0.067 120.029 120.200 -0.173 0.000 2.072 7 E HA -0.165 4.186 4.350 0.001 0.000 0.190 7 E C 1.467 177.896 176.600 -0.284 0.000 0.982 7 E CA 0.821 57.061 56.400 -0.266 0.000 0.803 7 E CB -0.012 29.453 29.700 -0.392 0.000 0.755 7 E HN 0.219 nan 8.360 nan 0.000 0.453 8 F N 0.968 120.814 119.950 -0.172 0.000 2.126 8 F HA -0.155 4.373 4.527 0.000 0.000 0.299 8 F C 2.576 178.293 175.800 -0.138 0.000 1.096 8 F CA 1.353 59.229 58.000 -0.206 0.000 1.255 8 F CB -0.800 38.073 39.000 -0.210 0.000 0.997 8 F HN 0.129 nan 8.300 nan 0.000 0.479 9 Q N 0.531 120.371 119.800 0.068 0.000 2.050 9 Q HA -0.200 4.140 4.340 0.001 0.000 0.202 9 Q C 2.362 178.356 176.000 -0.010 0.000 0.980 9 Q CA 1.765 57.575 55.803 0.011 0.000 0.840 9 Q CB -0.327 28.405 28.738 -0.010 0.000 0.898 9 Q HN 0.301 nan 8.270 nan 0.000 0.424 10 R N -0.534 119.945 120.500 -0.035 0.000 2.091 10 R HA -0.108 4.232 4.340 0.001 0.000 0.238 10 R C 2.229 178.519 176.300 -0.017 0.000 1.136 10 R CA 1.629 57.705 56.100 -0.040 0.000 0.959 10 R CB -0.036 30.223 30.300 -0.067 0.000 0.856 10 R HN 0.185 nan 8.270 nan 0.000 0.437 11 R N -0.305 120.175 120.500 -0.032 0.000 2.081 11 R HA -0.095 4.246 4.340 0.001 0.000 0.235 11 R C 2.459 178.911 176.300 0.255 0.000 1.131 11 R CA 1.792 57.910 56.100 0.029 0.000 0.960 11 R CB -0.227 29.909 30.300 -0.274 0.000 0.856 11 R HN 0.235 nan 8.270 nan 0.000 0.436 12 R N 0.297 120.915 120.500 0.196 0.000 2.073 12 R HA -0.119 4.221 4.340 0.001 0.000 0.234 12 R C 2.349 178.623 176.300 -0.045 0.000 1.134 12 R CA 1.171 57.285 56.100 0.023 0.000 0.952 12 R CB -0.165 30.097 30.300 -0.063 0.000 0.850 12 R HN 0.200 nan 8.270 nan 0.000 0.433 13 Q N 0.088 119.876 119.800 -0.021 0.000 2.170 13 Q HA -0.059 4.281 4.340 0.001 0.000 0.203 13 Q C 2.063 178.052 176.000 -0.019 0.000 0.976 13 Q CA 1.580 57.362 55.803 -0.035 0.000 0.858 13 Q CB -0.185 28.535 28.738 -0.031 0.000 0.907 13 Q HN 0.364 nan 8.270 nan 0.000 0.433 14 A N 0.460 123.292 122.820 0.020 0.000 1.969 14 A HA -0.117 4.204 4.320 0.001 0.000 0.218 14 A C 2.067 179.670 177.584 0.031 0.000 1.169 14 A CA 0.991 53.048 52.037 0.034 0.000 0.635 14 A CB -0.388 18.654 19.000 0.070 0.000 0.810 14 A HN 0.321 nan 8.150 nan 0.000 0.445 15 L N -0.235 121.008 121.223 0.032 0.000 2.044 15 L HA -0.025 4.315 4.340 0.001 0.000 0.205 15 L C 2.324 179.105 176.870 -0.148 0.000 1.075 15 L CA 1.760 56.568 54.840 -0.053 0.000 0.747 15 L CB -0.652 41.300 42.059 -0.180 0.000 0.903 15 L HN 0.114 nan 8.230 nan 0.000 0.435 16 V N 0.178 120.000 119.914 -0.153 0.000 2.392 16 V HA -0.296 3.824 4.120 0.001 0.000 0.249 16 V C 2.679 178.718 176.094 -0.092 0.000 1.059 16 V CA 1.838 64.051 62.300 -0.145 0.000 1.051 16 V CB -0.763 30.991 31.823 -0.114 0.000 0.658 16 V HN 0.577 nan 8.190 nan 0.000 0.455 17 E N 0.582 120.746 120.200 -0.060 0.000 2.171 17 E HA -0.257 4.093 4.350 0.001 0.000 0.197 17 E C 2.112 178.695 176.600 -0.029 0.000 0.997 17 E CA 1.664 58.044 56.400 -0.033 0.000 0.810 17 E CB -0.245 29.443 29.700 -0.021 0.000 0.738 17 E HN 0.717 nan 8.360 nan 0.000 0.467 18 Q N -0.876 118.896 119.800 -0.047 0.000 2.392 18 Q HA 0.171 4.511 4.340 0.001 0.000 0.203 18 Q C 0.098 176.068 176.000 -0.050 0.000 0.917 18 Q CA -0.108 55.676 55.803 -0.032 0.000 0.939 18 Q CB 0.279 29.005 28.738 -0.021 0.000 1.063 18 Q HN 0.312 nan 8.270 nan 0.000 0.516 19 M N 1.162 120.690 119.600 -0.120 0.000 2.250 19 M HA 0.098 4.578 4.480 0.001 0.000 0.344 19 M C 0.056 176.402 176.300 0.076 0.000 1.150 19 M CA 0.106 55.331 55.300 -0.125 0.000 1.147 19 M CB 0.929 33.361 32.600 -0.279 0.000 1.498 19 M HN 0.009 nan 8.290 nan 0.000 0.461 20 Q N 3.262 123.200 119.800 0.229 0.000 2.394 20 Q HA 0.266 4.606 4.340 0.001 0.000 0.248 20 Q C -2.139 173.937 176.000 0.127 0.000 0.992 20 Q CA -1.661 54.238 55.803 0.161 0.000 0.888 20 Q CB 0.096 28.932 28.738 0.163 0.000 1.257 20 Q HN 0.337 nan 8.270 nan 0.000 0.462 21 P HA -0.036 nan 4.420 nan 0.000 0.272 21 P C -0.012 177.332 177.300 0.074 0.000 1.223 21 P CA 0.366 63.507 63.100 0.069 0.000 0.784 21 P CB 0.423 32.154 31.700 0.051 0.000 0.923 22 G N 0.570 109.411 108.800 0.068 0.000 2.324 22 G HA2 -0.073 3.888 3.960 0.001 0.000 0.292 22 G HA3 -0.073 3.888 3.960 0.001 0.000 0.292 22 G C 0.001 174.949 174.900 0.082 0.000 1.079 22 G CA 0.285 45.423 45.100 0.064 0.000 1.026 22 G HN 0.939 nan 8.290 nan 0.000 0.506 23 S N -1.650 114.115 115.700 0.108 0.000 2.671 23 S HA 1.016 5.486 4.470 0.001 0.000 0.277 23 S C -0.382 174.306 174.600 0.146 0.000 1.165 23 S CA 0.091 58.385 58.200 0.156 0.000 0.822 23 S CB 2.333 65.715 63.200 0.303 0.000 1.150 23 S HN 2.102 nan 8.310 nan 0.000 0.479 24 A N 0.060 122.997 122.820 0.196 0.000 2.486 24 A HA 0.921 5.242 4.320 0.001 0.000 0.300 24 A C -0.562 177.171 177.584 0.248 0.000 1.048 24 A CA -0.450 51.669 52.037 0.137 0.000 0.696 24 A CB 1.307 20.355 19.000 0.079 0.000 1.278 24 A HN 1.912 nan 8.150 nan 0.000 0.405 25 A N 1.907 124.804 122.820 0.128 0.000 2.318 25 A HA 0.753 5.073 4.320 0.001 0.000 0.324 25 A C -0.820 176.821 177.584 0.095 0.000 1.170 25 A CA -0.404 51.726 52.037 0.155 0.000 0.810 25 A CB 0.441 19.355 19.000 -0.144 0.000 1.198 25 A HN 0.878 nan 8.150 nan 0.000 0.484 26 L N 3.239 124.641 121.223 0.299 0.000 2.325 26 L HA 0.570 4.910 4.340 0.001 0.000 0.281 26 L C -0.926 176.221 176.870 0.463 0.000 1.004 26 L CA -0.213 54.794 54.840 0.278 0.000 0.823 26 L CB 1.358 43.648 42.059 0.385 0.000 1.236 26 L HN 0.566 nan 8.230 nan 0.000 0.415 27 I N 3.025 123.721 120.570 0.209 0.000 2.410 27 I HA 0.378 4.549 4.170 0.001 0.000 0.286 27 I C -0.728 175.708 176.117 0.532 0.000 1.009 27 I CA -0.281 61.277 61.300 0.430 0.000 1.111 27 I CB 1.429 39.470 38.000 0.068 0.000 1.262 27 I HN 0.323 nan 8.210 nan 0.000 0.443 28 F N 4.108 124.445 119.950 0.644 0.000 2.397 28 F HA 0.658 5.185 4.527 0.001 0.000 0.331 28 F C 0.903 176.902 175.800 0.332 0.000 1.090 28 F CA -0.452 57.842 58.000 0.489 0.000 1.065 28 F CB 1.274 40.507 39.000 0.387 0.000 1.184 28 F HN 0.423 nan 8.300 nan 0.000 0.499 29 A N 1.575 124.385 122.820 -0.017 0.000 2.332 29 A HA 0.706 5.026 4.320 0.001 0.000 0.258 29 A C -0.072 177.487 177.584 -0.041 0.000 1.087 29 A CA -0.259 51.510 52.037 -0.448 0.000 0.802 29 A CB -0.007 18.519 19.000 -0.790 0.000 1.042 29 A HN 0.940 nan 8.150 nan 0.000 0.489 30 A N 1.591 124.387 122.820 -0.040 0.000 2.386 30 A HA 0.607 4.927 4.320 0.001 0.000 0.248 30 A C -2.441 175.025 177.584 -0.197 0.000 1.082 30 A CA -1.190 50.705 52.037 -0.237 0.000 0.789 30 A CB -0.499 18.451 19.000 -0.085 0.000 1.025 30 A HN 0.599 nan 8.150 nan 0.000 0.490 31 P HA 0.277 nan 4.420 nan 0.000 0.276 31 P C -0.445 176.823 177.300 -0.054 0.000 1.244 31 P CA -0.478 62.430 63.100 -0.320 0.000 0.801 31 P CB 0.561 32.045 31.700 -0.359 0.000 1.006 32 E N -0.054 120.094 120.200 -0.086 0.000 2.404 32 E HA 0.244 4.595 4.350 0.001 0.000 0.261 32 E C -0.611 175.993 176.600 0.006 0.000 1.074 32 E CA -0.255 56.154 56.400 0.014 0.000 0.917 32 E CB 0.487 30.116 29.700 -0.118 0.000 0.965 32 E HN 0.133 nan 8.360 nan 0.000 0.433 33 V N 2.428 122.384 119.914 0.069 0.000 2.540 33 V HA 0.156 4.276 4.120 0.001 0.000 0.302 33 V C 0.069 176.235 176.094 0.120 0.000 1.035 33 V CA -0.833 61.523 62.300 0.093 0.000 0.873 33 V CB 2.045 33.944 31.823 0.126 0.000 0.992 33 V HN 0.686 nan 8.190 nan 0.000 0.428 34 T N 4.329 118.924 114.554 0.069 0.000 2.901 34 T HA 0.171 4.521 4.350 0.001 0.000 0.301 34 T C 0.985 175.660 174.700 -0.042 0.000 1.012 34 T CA 0.155 62.255 62.100 -0.000 0.000 1.135 34 T CB 0.986 69.847 68.868 -0.011 0.000 0.936 34 T HN 0.766 nan 8.240 nan 0.000 0.539 35 R N 1.741 122.063 120.500 -0.296 0.000 2.121 35 R HA 0.267 4.608 4.340 0.001 0.000 0.206 35 R C 0.342 176.473 176.300 -0.282 0.000 1.094 35 R CA 0.238 55.938 56.100 -0.668 0.000 1.055 35 R CB 0.426 30.103 30.300 -1.039 0.000 0.964 35 R HN 0.538 nan 8.270 nan 0.000 0.473 36 S N -1.140 114.446 115.700 -0.191 0.000 2.582 36 S HA 0.525 4.995 4.470 0.001 0.000 0.287 36 S C -0.522 174.034 174.600 -0.074 0.000 1.146 36 S CA -0.210 57.927 58.200 -0.104 0.000 0.941 36 S CB 1.242 64.383 63.200 -0.098 0.000 1.115 36 S HN 0.676 nan 8.310 nan 0.000 0.458 37 A N 3.718 126.510 122.820 -0.047 0.000 5.318 37 A HA -0.260 4.060 4.320 0.001 0.000 0.329 37 A C 0.977 178.539 177.584 -0.036 0.000 1.789 37 A CA 1.984 54.001 52.037 -0.033 0.000 0.711 37 A CB -1.996 16.989 19.000 -0.025 0.000 1.398 37 A HN 1.295 nan 8.150 nan 0.000 0.392 38 D N 0.517 120.902 120.400 -0.026 0.000 2.328 38 D HA 0.231 4.872 4.640 0.001 0.000 0.221 38 D C 0.620 176.907 176.300 -0.022 0.000 1.072 38 D CA 0.958 54.947 54.000 -0.020 0.000 0.850 38 D CB -0.564 40.241 40.800 0.008 0.000 0.922 38 D HN 1.070 nan 8.370 nan 0.000 0.516 39 S N -0.358 115.314 115.700 -0.046 0.000 2.525 39 S HA 0.548 5.018 4.470 0.001 0.000 0.290 39 S C -0.327 174.208 174.600 -0.110 0.000 1.152 39 S CA -0.752 57.412 58.200 -0.059 0.000 1.072 39 S CB 2.313 65.471 63.200 -0.071 0.000 1.027 39 S HN -0.060 nan 8.310 nan 0.000 0.500 40 E N 0.813 120.960 120.200 -0.088 0.000 2.235 40 E HA 0.493 4.844 4.350 0.001 0.000 0.265 40 E C -1.179 175.366 176.600 -0.093 0.000 0.940 40 E CA -0.661 55.687 56.400 -0.086 0.000 0.819 40 E CB 0.625 30.309 29.700 -0.026 0.000 1.206 40 E HN 0.651 nan 8.360 nan 0.000 0.409 41 Y N 0.952 121.233 120.300 -0.031 0.000 2.357 41 Y HA 0.216 4.766 4.550 0.000 0.000 0.340 41 Y C -1.658 174.201 175.900 -0.069 0.000 1.260 41 Y CA -1.706 56.360 58.100 -0.057 0.000 1.425 41 Y CB 0.000 38.412 38.460 -0.080 0.000 1.326 41 Y HN 0.364 nan 8.280 nan 0.000 0.580 42 P HA -0.072 nan 4.420 nan 0.000 0.267 42 P C -1.081 176.169 177.300 -0.083 0.000 1.205 42 P CA 0.038 63.096 63.100 -0.069 0.000 0.765 42 P CB 0.059 31.534 31.700 -0.374 0.000 0.828 43 Y N 3.874 124.099 120.300 -0.125 0.000 2.610 43 Y HA 0.134 4.684 4.550 0.000 0.000 0.332 43 Y C 0.700 176.497 175.900 -0.172 0.000 1.201 43 Y CA 0.250 58.273 58.100 -0.128 0.000 1.465 43 Y CB 0.341 38.740 38.460 -0.101 0.000 1.283 43 Y HN 0.208 nan 8.280 nan 0.000 0.563 44 R N 4.942 124.926 120.500 -0.859 0.000 2.435 44 R HA 0.290 4.630 4.340 0.001 0.000 0.308 44 R C -1.346 174.388 176.300 -0.942 0.000 0.975 44 R CA -0.881 54.794 56.100 -0.708 0.000 0.867 44 R CB 0.743 30.772 30.300 -0.451 0.000 1.171 44 R HN 0.709 nan 8.270 nan 0.000 0.470 45 Q N 2.424 121.813 119.800 -0.684 0.000 2.421 45 Q HA 0.104 4.444 4.340 0.001 0.000 0.255 45 Q C -0.418 175.555 176.000 -0.044 0.000 1.013 45 Q CA 0.331 55.968 55.803 -0.276 0.000 0.895 45 Q CB 0.626 29.508 28.738 0.240 0.000 1.271 45 Q HN 0.671 nan 8.270 nan 0.000 0.460 46 N N 1.893 120.701 118.700 0.180 0.000 2.468 46 N HA -0.042 4.698 4.740 0.001 0.000 0.265 46 N C -0.054 175.685 175.510 0.382 0.000 1.199 46 N CA 0.425 53.671 53.050 0.326 0.000 0.928 46 N CB 0.725 39.536 38.487 0.541 0.000 1.059 46 N HN 0.636 nan 8.380 nan 0.000 0.467 47 S N 3.180 119.030 115.700 0.250 0.000 2.365 47 S HA -0.165 4.306 4.470 0.001 0.000 0.225 47 S C 0.981 175.796 174.600 0.359 0.000 1.039 47 S CA 1.210 59.546 58.200 0.227 0.000 1.033 47 S CB -0.091 63.154 63.200 0.074 0.000 0.887 47 S HN 0.675 nan 8.310 nan 0.000 0.447 48 D N 0.213 120.858 120.400 0.408 0.000 2.144 48 D HA -0.052 4.588 4.640 0.001 0.000 0.200 48 D C 1.627 178.242 176.300 0.525 0.000 0.978 48 D CA 0.753 55.027 54.000 0.457 0.000 0.833 48 D CB -0.309 40.891 40.800 0.666 0.000 0.961 48 D HN 0.403 nan 8.370 nan 0.000 0.470 49 F N 0.709 120.934 119.950 0.459 0.000 2.146 49 F HA -0.144 4.383 4.527 0.000 0.000 0.298 49 F C 2.277 178.306 175.800 0.382 0.000 1.096 49 F CA 1.172 59.427 58.000 0.425 0.000 1.275 49 F CB -0.111 39.145 39.000 0.426 0.000 1.008 49 F HN 0.032 nan 8.300 nan 0.000 0.480 50 W N 0.003 121.522 121.300 0.364 0.000 2.358 50 W HA -0.307 4.353 4.660 0.000 0.000 0.303 50 W C 2.152 178.771 176.519 0.166 0.000 1.208 50 W CA 1.835 59.312 57.345 0.220 0.000 1.274 50 W CB -1.201 28.378 29.460 0.198 0.000 1.138 50 W HN 0.250 nan 8.180 nan 0.000 0.515 51 Y N 0.346 120.736 120.300 0.151 0.000 2.193 51 Y HA -0.285 4.265 4.550 0.001 0.000 0.285 51 Y C 1.810 177.587 175.900 -0.205 0.000 1.166 51 Y CA 2.404 60.463 58.100 -0.068 0.000 1.181 51 Y CB -1.042 37.247 38.460 -0.285 0.000 0.976 51 Y HN -0.142 nan 8.280 nan 0.000 0.520 52 F N -1.420 118.516 119.950 -0.022 0.000 2.727 52 F HA 0.124 4.651 4.527 0.000 0.000 0.302 52 F C 1.940 177.484 175.800 -0.427 0.000 1.097 52 F CA 0.920 58.807 58.000 -0.189 0.000 1.330 52 F CB 0.011 38.876 39.000 -0.225 0.000 1.084 52 F HN 0.137 nan 8.300 nan 0.000 0.578 53 T N -5.973 108.213 114.554 -0.614 0.000 3.168 53 T HA 0.340 4.691 4.350 0.001 0.000 0.261 53 T C 1.735 175.519 174.700 -1.527 0.000 0.931 53 T CA 0.586 62.113 62.100 -0.955 0.000 0.949 53 T CB 0.125 68.579 68.868 -0.690 0.000 1.229 53 T HN 0.183 nan 8.240 nan 0.000 0.504 54 G N 1.755 109.609 108.800 -1.577 0.000 2.153 54 G HA2 -0.227 3.734 3.960 0.001 0.000 0.252 54 G HA3 -0.227 3.734 3.960 0.001 0.000 0.252 54 G C -0.208 174.126 174.900 -0.942 0.000 0.994 54 G CA 0.237 44.183 45.100 -1.923 0.000 0.698 54 G HN 0.723 nan 8.290 nan 0.000 0.521 55 F N 1.594 121.233 119.950 -0.518 0.000 2.405 55 F HA 0.496 5.023 4.527 0.000 0.000 0.355 55 F C 0.662 176.712 175.800 0.417 0.000 1.121 55 F CA -1.780 56.223 58.000 0.005 0.000 1.112 55 F CB 0.722 39.768 39.000 0.077 0.000 1.126 55 F HN 0.048 nan 8.300 nan 0.000 0.481 56 N N 5.052 123.798 118.700 0.077 0.000 2.455 56 N HA 0.066 4.807 4.740 0.001 0.000 0.258 56 N C -0.745 174.667 175.510 -0.164 0.000 1.158 56 N CA 0.094 53.261 53.050 0.196 0.000 0.893 56 N CB 0.109 38.804 38.487 0.346 0.000 1.173 56 N HN 0.691 nan 8.380 nan 0.000 0.503 57 E N 0.893 120.681 120.200 -0.686 0.000 2.277 57 E HA 0.413 4.763 4.350 0.001 0.000 0.266 57 E C -2.481 173.756 176.600 -0.605 0.000 0.901 57 E CA -1.919 54.036 56.400 -0.741 0.000 0.782 57 E CB 2.389 31.578 29.700 -0.853 0.000 1.228 57 E HN 0.222 nan 8.360 nan 0.000 0.424 58 P HA 0.099 nan 4.420 nan 0.000 0.284 58 P C -0.913 176.079 177.300 -0.513 0.000 1.292 58 P CA -0.225 62.520 63.100 -0.591 0.000 0.800 58 P CB 0.503 31.765 31.700 -0.731 0.000 1.188 59 E N -2.344 117.484 120.200 -0.620 0.000 2.210 59 E HA -0.102 4.249 4.350 0.001 0.000 0.201 59 E C -0.396 175.790 176.600 -0.691 0.000 1.339 59 E CA 0.337 56.087 56.400 -1.083 0.000 0.699 59 E CB -1.896 27.097 29.700 -1.179 0.000 1.126 59 E HN 0.631 nan 8.360 nan 0.000 0.355 60 A N 0.158 122.839 122.820 -0.232 0.000 2.486 60 A HA 0.735 5.055 4.320 0.001 0.000 0.300 60 A C -0.665 177.066 177.584 0.246 0.000 1.048 60 A CA -0.518 51.622 52.037 0.172 0.000 0.696 60 A CB 2.050 21.259 19.000 0.347 0.000 1.278 60 A HN 0.111 nan 8.150 nan 0.000 0.405 61 V N 1.997 122.167 119.914 0.425 0.000 2.686 61 V HA 0.493 4.613 4.120 0.001 0.000 0.306 61 V C -1.030 175.260 176.094 0.326 0.000 1.065 61 V CA -0.467 61.987 62.300 0.256 0.000 0.894 61 V CB 1.574 33.339 31.823 -0.097 0.000 1.004 61 V HN 0.908 nan 8.190 nan 0.000 0.424 62 L N 6.049 127.435 121.223 0.272 0.000 2.275 62 L HA 0.731 5.071 4.340 0.001 0.000 0.288 62 L C -0.530 176.325 176.870 -0.025 0.000 1.046 62 L CA 0.133 55.009 54.840 0.060 0.000 0.805 62 L CB 1.544 43.538 42.059 -0.110 0.000 1.193 62 L HN 0.482 nan 8.230 nan 0.000 0.426 63 V N 6.957 126.847 119.914 -0.040 0.000 2.350 63 V HA 0.391 4.512 4.120 0.001 0.000 0.285 63 V C -0.110 175.891 176.094 -0.154 0.000 1.014 63 V CA -0.534 61.734 62.300 -0.054 0.000 0.831 63 V CB 1.323 33.168 31.823 0.037 0.000 1.000 63 V HN 0.580 nan 8.190 nan 0.000 0.433 64 L N 6.401 127.513 121.223 -0.184 0.000 2.265 64 L HA 0.589 4.930 4.340 0.001 0.000 0.289 64 L C -0.495 176.256 176.870 -0.197 0.000 1.033 64 L CA -0.261 54.440 54.840 -0.232 0.000 0.814 64 L CB 1.310 43.199 42.059 -0.284 0.000 1.203 64 L HN 0.486 nan 8.230 nan 0.000 0.423 65 I N 4.135 124.531 120.570 -0.291 0.000 2.339 65 I HA 0.286 4.456 4.170 0.001 0.000 0.290 65 I C 0.035 176.080 176.117 -0.119 0.000 0.994 65 I CA -0.420 60.740 61.300 -0.234 0.000 1.191 65 I CB 1.610 39.352 38.000 -0.429 0.000 1.343 65 I HN 0.528 nan 8.210 nan 0.000 0.458 66 K N 4.701 125.089 120.400 -0.020 0.000 2.316 66 K HA 0.377 4.698 4.320 0.001 0.000 0.267 66 K C 0.219 176.862 176.600 0.071 0.000 1.025 66 K CA -0.280 56.025 56.287 0.029 0.000 0.896 66 K CB 1.302 33.812 32.500 0.016 0.000 1.124 66 K HN 0.613 nan 8.250 nan 0.000 0.451 67 S N 3.101 118.864 115.700 0.105 0.000 2.348 67 S HA -0.070 4.401 4.470 0.001 0.000 0.219 67 S C 0.083 174.720 174.600 0.062 0.000 1.033 67 S CA 1.108 59.362 58.200 0.090 0.000 0.974 67 S CB -0.141 63.121 63.200 0.102 0.000 0.868 67 S HN 0.928 nan 8.310 nan 0.000 0.459 68 D N -1.244 119.204 120.400 0.080 0.000 2.838 68 D HA 0.239 4.879 4.640 0.001 0.000 0.334 68 D C -0.872 175.478 176.300 0.083 0.000 1.315 68 D CA -0.649 53.389 54.000 0.063 0.000 0.917 68 D CB -0.182 40.636 40.800 0.030 0.000 1.435 68 D HN -0.284 nan 8.370 nan 0.000 0.517 69 D N -1.176 119.266 120.400 0.069 0.000 2.392 69 D HA -0.021 4.620 4.640 0.001 0.000 0.228 69 D C 0.812 177.154 176.300 0.070 0.000 1.003 69 D CA 1.617 55.652 54.000 0.059 0.000 0.917 69 D CB 0.131 40.956 40.800 0.042 0.000 0.890 69 D HN 0.554 nan 8.370 nan 0.000 0.532 70 T N -3.843 110.794 114.554 0.138 0.000 3.041 70 T HA 0.090 4.440 4.350 0.001 0.000 0.276 70 T C 0.144 174.867 174.700 0.039 0.000 0.948 70 T CA -0.379 61.788 62.100 0.110 0.000 0.885 70 T CB 0.321 69.279 68.868 0.151 0.000 1.175 70 T HN -0.079 nan 8.240 nan 0.000 0.529 71 H N 2.497 121.573 119.070 0.011 0.000 2.609 71 H HA 0.746 5.302 4.556 0.001 0.000 0.344 71 H C -0.627 174.728 175.328 0.045 0.000 1.040 71 H CA -0.856 55.205 56.048 0.021 0.000 1.216 71 H CB 1.332 31.105 29.762 0.018 0.000 1.529 71 H HN 0.560 nan 8.280 nan 0.000 0.519 72 N N 0.763 119.542 118.700 0.131 0.000 2.745 72 N HA 0.329 5.070 4.740 0.001 0.000 0.256 72 N C -1.493 174.109 175.510 0.153 0.000 1.268 72 N CA -0.909 52.215 53.050 0.124 0.000 0.887 72 N CB 2.057 40.556 38.487 0.020 0.000 1.575 72 N HN 0.639 nan 8.380 nan 0.000 0.496 73 H N -1.496 117.554 119.070 -0.034 0.000 2.960 73 H HA 0.794 5.350 4.556 0.000 0.000 0.338 73 H C -1.507 173.779 175.328 -0.070 0.000 1.261 73 H CA -0.851 55.166 56.048 -0.053 0.000 1.136 73 H CB 1.150 30.886 29.762 -0.043 0.000 1.875 73 H HN 0.823 nan 8.280 nan 0.000 0.550 74 S N 0.298 115.938 115.700 -0.100 0.000 2.542 74 S HA 0.684 5.154 4.470 0.001 0.000 0.293 74 S C -0.935 173.583 174.600 -0.137 0.000 1.089 74 S CA -0.745 57.346 58.200 -0.182 0.000 0.961 74 S CB 1.919 65.027 63.200 -0.153 0.000 1.062 74 S HN 0.501 nan 8.310 nan 0.000 0.483 75 V N 2.522 122.331 119.914 -0.175 0.000 2.638 75 V HA 0.605 4.725 4.120 0.001 0.000 0.306 75 V C -1.021 174.941 176.094 -0.221 0.000 1.052 75 V CA -0.672 61.506 62.300 -0.202 0.000 0.885 75 V CB 1.541 33.231 31.823 -0.222 0.000 0.999 75 V HN 0.930 nan 8.190 nan 0.000 0.424 76 L N 4.779 125.843 121.223 -0.264 0.000 2.329 76 L HA 0.744 5.085 4.340 0.001 0.000 0.279 76 L C -1.329 175.394 176.870 -0.245 0.000 1.014 76 L CA 0.083 54.824 54.840 -0.166 0.000 0.814 76 L CB 1.424 43.395 42.059 -0.146 0.000 1.257 76 L HN 0.460 nan 8.230 nan 0.000 0.424 77 F N 5.334 125.344 119.950 0.099 0.000 2.427 77 F HA 0.595 5.122 4.527 0.001 0.000 0.346 77 F C 0.216 176.172 175.800 0.260 0.000 1.120 77 F CA -0.329 57.775 58.000 0.173 0.000 1.033 77 F CB 1.403 40.527 39.000 0.207 0.000 1.126 77 F HN 0.701 nan 8.300 nan 0.000 0.462 78 N N 1.798 120.737 118.700 0.399 0.000 2.927 78 N HA 0.353 5.094 4.740 0.001 0.000 0.248 78 N C -1.234 174.450 175.510 0.290 0.000 1.443 78 N CA -1.143 52.112 53.050 0.341 0.000 0.870 78 N CB 1.229 39.893 38.487 0.295 0.000 1.444 78 N HN 0.446 nan 8.380 nan 0.000 0.519 79 R N 0.052 120.676 120.500 0.206 0.000 2.640 79 R HA 0.183 4.523 4.340 0.001 0.000 0.270 79 R C 0.266 176.653 176.300 0.146 0.000 1.024 79 R CA -0.339 55.853 56.100 0.154 0.000 1.085 79 R CB 0.539 30.876 30.300 0.063 0.000 0.963 79 R HN 0.437 nan 8.270 nan 0.000 0.426 80 V N 3.454 123.447 119.914 0.131 0.000 2.881 80 V HA 0.101 4.222 4.120 0.001 0.000 0.303 80 V C 0.281 176.427 176.094 0.088 0.000 1.070 80 V CA -0.427 61.934 62.300 0.103 0.000 1.074 80 V CB 1.051 32.931 31.823 0.095 0.000 1.012 80 V HN 0.605 nan 8.190 nan 0.000 0.482 81 R N 3.864 124.409 120.500 0.074 0.000 2.404 81 R HA 0.219 4.559 4.340 0.001 0.000 0.315 81 R C -0.703 175.637 176.300 0.067 0.000 1.032 81 R CA 0.070 56.212 56.100 0.069 0.000 0.992 81 R CB -0.167 30.167 30.300 0.056 0.000 0.959 81 R HN 0.692 nan 8.270 nan 0.000 0.428 82 D N 3.897 124.342 120.400 0.075 0.000 2.438 82 D HA 0.127 4.768 4.640 0.001 0.000 0.257 82 D C 0.496 176.845 176.300 0.082 0.000 1.148 82 D CA -0.434 53.611 54.000 0.076 0.000 0.902 82 D CB 0.647 41.497 40.800 0.083 0.000 1.062 82 D HN 0.367 nan 8.370 nan 0.000 0.518 83 L N 2.455 123.720 121.223 0.069 0.000 3.097 83 L HA 0.049 4.389 4.340 0.001 0.000 0.268 83 L C 0.956 177.875 176.870 0.083 0.000 1.180 83 L CA 0.539 55.419 54.840 0.068 0.000 0.996 83 L CB -0.591 41.499 42.059 0.051 0.000 1.306 83 L HN 0.311 nan 8.230 nan 0.000 0.413 84 T N -1.954 112.663 114.554 0.105 0.000 3.340 84 T HA 0.140 4.490 4.350 0.001 0.000 0.272 84 T C 1.724 176.542 174.700 0.196 0.000 0.965 84 T CA 0.473 62.655 62.100 0.137 0.000 1.040 84 T CB 0.311 69.234 68.868 0.092 0.000 1.183 84 T HN 0.289 nan 8.240 nan 0.000 0.478 85 A N 1.332 124.252 122.820 0.166 0.000 2.169 85 A HA 0.151 4.472 4.320 0.001 0.000 0.212 85 A C 1.888 179.631 177.584 0.265 0.000 1.153 85 A CA 0.898 53.076 52.037 0.234 0.000 0.756 85 A CB -0.302 18.813 19.000 0.192 0.000 0.813 85 A HN 0.491 nan 8.150 nan 0.000 0.471 86 E N -0.237 120.072 120.200 0.182 0.000 2.140 86 E HA 0.022 4.373 4.350 0.001 0.000 0.191 86 E C 1.547 178.206 176.600 0.099 0.000 0.973 86 E CA 0.619 57.103 56.400 0.140 0.000 0.829 86 E CB -0.137 29.623 29.700 0.099 0.000 0.781 86 E HN 0.666 nan 8.360 nan 0.000 0.466 87 I N -0.382 120.243 120.570 0.091 0.000 2.567 87 I HA -0.213 3.957 4.170 0.001 0.000 0.257 87 I C 1.554 177.602 176.117 -0.114 0.000 1.184 87 I CA 1.117 62.415 61.300 -0.003 0.000 1.451 87 I CB -0.127 37.883 38.000 0.017 0.000 1.089 87 I HN 0.208 nan 8.210 nan 0.000 0.441 88 W N -0.785 120.419 121.300 -0.161 0.000 2.735 88 W HA 0.143 4.804 4.660 0.001 0.000 0.264 88 W C 0.735 176.854 176.519 -0.667 0.000 1.233 88 W CA 0.071 57.165 57.345 -0.419 0.000 1.408 88 W CB 0.387 29.566 29.460 -0.468 0.000 1.038 88 W HN -0.151 nan 8.180 nan 0.000 0.603 89 F N 0.864 120.941 119.950 0.212 0.000 2.688 89 F HA 0.532 5.059 4.527 0.001 0.000 0.376 89 F C 0.715 176.547 175.800 0.052 0.000 1.428 89 F CA -0.465 57.603 58.000 0.113 0.000 1.156 89 F CB 0.296 39.352 39.000 0.093 0.000 1.141 89 F HN -0.053 nan 8.300 nan 0.000 0.521 90 G N 1.395 110.288 108.800 0.155 0.000 2.785 90 G HA2 -0.235 3.725 3.960 0.001 0.000 0.685 90 G HA3 -0.235 3.725 3.960 0.001 0.000 0.685 90 G C -0.184 174.772 174.900 0.094 0.000 1.480 90 G CA -1.093 44.068 45.100 0.102 0.000 0.915 90 G HN 0.386 nan 8.290 nan 0.000 0.576 91 R N 0.515 121.057 120.500 0.071 0.000 2.641 91 R HA 0.476 4.817 4.340 0.001 0.000 0.269 91 R C 0.738 177.084 176.300 0.076 0.000 1.074 91 R CA 0.084 56.226 56.100 0.071 0.000 1.133 91 R CB 0.620 30.958 30.300 0.064 0.000 1.029 91 R HN 0.613 nan 8.270 nan 0.000 0.488 92 R N 1.041 121.593 120.500 0.087 0.000 2.807 92 R HA 0.155 4.496 4.340 0.001 0.000 0.276 92 R C 0.665 177.045 176.300 0.133 0.000 0.979 92 R CA -0.815 55.349 56.100 0.108 0.000 0.928 92 R CB 1.322 31.681 30.300 0.098 0.000 1.191 92 R HN 0.359 nan 8.270 nan 0.000 0.471 93 L N 1.504 122.851 121.223 0.206 0.000 2.027 93 L HA 0.108 4.449 4.340 0.001 0.000 0.206 93 L C 0.715 177.638 176.870 0.090 0.000 1.074 93 L CA 2.603 57.541 54.840 0.165 0.000 0.745 93 L CB -0.482 41.703 42.059 0.210 0.000 0.898 93 L HN 0.966 nan 8.230 nan 0.000 0.433 94 G N -1.798 107.063 108.800 0.101 0.000 2.795 94 G HA2 -0.284 3.677 3.960 0.001 0.000 0.664 94 G HA3 -0.284 3.677 3.960 0.001 0.000 0.664 94 G C 0.040 174.952 174.900 0.020 0.000 1.381 94 G CA 0.155 45.293 45.100 0.065 0.000 0.853 94 G HN 0.324 nan 8.290 nan 0.000 0.545 95 Q N -0.294 119.515 119.800 0.015 0.000 2.137 95 Q HA 0.096 4.436 4.340 0.001 0.000 0.198 95 Q C 2.288 178.268 176.000 -0.033 0.000 0.960 95 Q CA 1.986 57.778 55.803 -0.018 0.000 0.847 95 Q CB -0.021 28.712 28.738 -0.009 0.000 0.915 95 Q HN 0.656 nan 8.270 nan 0.000 0.448 96 D N 0.073 120.463 120.400 -0.017 0.000 2.097 96 D HA -0.122 4.518 4.640 0.001 0.000 0.195 96 D C 1.498 177.780 176.300 -0.030 0.000 0.989 96 D CA 1.585 55.572 54.000 -0.020 0.000 0.827 96 D CB -0.018 40.778 40.800 -0.007 0.000 0.966 96 D HN 0.290 nan 8.370 nan 0.000 0.456 97 A N 0.985 123.788 122.820 -0.027 0.000 2.021 97 A HA 0.222 4.543 4.320 0.001 0.000 0.216 97 A C 2.279 179.822 177.584 -0.069 0.000 1.163 97 A CA 1.268 53.284 52.037 -0.034 0.000 0.676 97 A CB -0.319 18.673 19.000 -0.013 0.000 0.818 97 A HN 0.193 nan 8.150 nan 0.000 0.453 98 A N 1.073 123.835 122.820 -0.097 0.000 1.884 98 A HA -0.127 4.193 4.320 0.001 0.000 0.219 98 A C 0.254 177.741 177.584 -0.161 0.000 1.197 98 A CA 2.137 54.072 52.037 -0.171 0.000 0.637 98 A CB -1.811 17.069 19.000 -0.201 0.000 0.827 98 A HN 0.436 nan 8.150 nan 0.000 0.450 99 P HA -0.212 nan 4.420 nan 0.000 0.216 99 P C 1.640 178.883 177.300 -0.095 0.000 1.157 99 P CA 1.623 64.659 63.100 -0.108 0.000 0.880 99 P CB -0.029 31.621 31.700 -0.083 0.000 0.791 100 E N -0.046 120.108 120.200 -0.077 0.000 2.072 100 E HA -0.192 4.158 4.350 0.001 0.000 0.190 100 E C 1.938 178.497 176.600 -0.067 0.000 0.982 100 E CA 1.327 57.690 56.400 -0.062 0.000 0.803 100 E CB -0.263 29.410 29.700 -0.044 0.000 0.755 100 E HN -0.053 nan 8.360 nan 0.000 0.453 101 K N 0.134 120.486 120.400 -0.081 0.000 2.025 101 K HA -0.065 4.256 4.320 0.001 0.000 0.207 101 K C 1.877 178.403 176.600 -0.124 0.000 1.049 101 K CA 0.933 57.170 56.287 -0.084 0.000 0.933 101 K CB -0.241 32.210 32.500 -0.081 0.000 0.714 101 K HN 0.099 nan 8.250 nan 0.000 0.438 102 L N -0.222 120.890 121.223 -0.186 0.000 2.585 102 L HA 0.336 4.676 4.340 0.001 0.000 0.226 102 L C 0.836 177.595 176.870 -0.185 0.000 1.113 102 L CA 1.149 55.843 54.840 -0.243 0.000 0.876 102 L CB -0.211 41.629 42.059 -0.365 0.000 1.072 102 L HN 0.522 nan 8.230 nan 0.000 0.468 103 G N 0.538 109.258 108.800 -0.133 0.000 2.225 103 G HA2 -0.191 3.769 3.960 0.001 0.000 0.264 103 G HA3 -0.191 3.769 3.960 0.001 0.000 0.264 103 G C 0.245 175.079 174.900 -0.109 0.000 1.060 103 G CA 0.405 45.445 45.100 -0.099 0.000 0.833 103 G HN 0.367 nan 8.290 nan 0.000 0.498 104 V N -3.612 116.225 119.914 -0.129 0.000 2.732 104 V HA 0.711 4.831 4.120 0.001 0.000 0.310 104 V C 1.071 177.108 176.094 -0.096 0.000 1.053 104 V CA -0.201 62.024 62.300 -0.125 0.000 0.957 104 V CB 1.848 33.574 31.823 -0.161 0.000 1.018 104 V HN 0.021 nan 8.190 nan 0.000 0.452 105 D N 1.306 121.664 120.400 -0.070 0.000 2.144 105 D HA -0.010 4.630 4.640 0.001 0.000 0.200 105 D C 0.858 177.125 176.300 -0.056 0.000 0.978 105 D CA 1.591 55.566 54.000 -0.042 0.000 0.833 105 D CB 0.434 41.243 40.800 0.016 0.000 0.961 105 D HN 0.665 nan 8.370 nan 0.000 0.470 106 R N -0.652 119.801 120.500 -0.078 0.000 2.707 106 R HA 0.578 4.918 4.340 0.001 0.000 0.272 106 R C -1.957 174.246 176.300 -0.163 0.000 1.011 106 R CA -0.595 55.443 56.100 -0.104 0.000 0.893 106 R CB 2.097 32.346 30.300 -0.086 0.000 1.233 106 R HN -0.057 nan 8.270 nan 0.000 0.464 107 A N 4.162 126.883 122.820 -0.164 0.000 2.374 107 A HA 0.704 5.024 4.320 0.001 0.000 0.305 107 A C -1.504 175.967 177.584 -0.188 0.000 1.053 107 A CA -0.681 51.241 52.037 -0.192 0.000 0.726 107 A CB 1.154 20.071 19.000 -0.138 0.000 1.229 107 A HN 0.541 nan 8.150 nan 0.000 0.431 108 L N 1.222 122.285 121.223 -0.266 0.000 2.333 108 L HA 0.778 5.118 4.340 0.001 0.000 0.263 108 L C 0.593 177.490 176.870 0.045 0.000 1.014 108 L CA -1.119 53.623 54.840 -0.162 0.000 0.820 108 L CB 2.104 43.969 42.059 -0.322 0.000 1.352 108 L HN 0.826 nan 8.230 nan 0.000 0.421 109 A N 0.377 123.280 122.820 0.138 0.000 2.488 109 A HA 0.109 4.430 4.320 0.001 0.000 0.249 109 A C 0.531 178.334 177.584 0.365 0.000 1.083 109 A CA -0.033 52.136 52.037 0.220 0.000 0.768 109 A CB -0.203 18.889 19.000 0.154 0.000 1.017 109 A HN 0.722 nan 8.150 nan 0.000 0.496 110 F N 3.208 123.307 119.950 0.249 0.000 2.250 110 F HA -0.213 4.314 4.527 0.001 0.000 0.301 110 F C 2.419 178.305 175.800 0.144 0.000 1.077 110 F CA 2.346 60.490 58.000 0.240 0.000 1.348 110 F CB -0.051 39.052 39.000 0.171 0.000 1.040 110 F HN 0.585 nan 8.300 nan 0.000 0.509 111 S N -1.067 114.735 115.700 0.171 0.000 2.507 111 S HA -0.104 4.366 4.470 0.001 0.000 0.235 111 S C 1.368 175.954 174.600 -0.023 0.000 0.988 111 S CA 1.009 59.238 58.200 0.049 0.000 0.944 111 S CB -0.366 62.899 63.200 0.108 0.000 0.762 111 S HN 0.459 nan 8.310 nan 0.000 0.526 112 E N 0.414 120.626 120.200 0.020 0.000 2.501 112 E HA 0.338 4.688 4.350 0.001 0.000 0.201 112 E C 1.345 177.937 176.600 -0.013 0.000 1.016 112 E CA -0.204 56.222 56.400 0.043 0.000 0.920 112 E CB -0.095 29.681 29.700 0.128 0.000 1.023 112 E HN 0.572 nan 8.360 nan 0.000 0.474 113 I N 1.166 121.580 120.570 -0.260 0.000 2.264 113 I HA -0.343 3.827 4.170 0.001 0.000 0.248 113 I C 1.365 177.281 176.117 -0.336 0.000 1.111 113 I CA 1.350 62.274 61.300 -0.626 0.000 1.382 113 I CB 0.091 37.468 38.000 -1.039 0.000 1.060 113 I HN 0.088 nan 8.210 nan 0.000 0.418 114 N N -0.253 118.326 118.700 -0.202 0.000 2.396 114 N HA -0.184 4.556 4.740 0.001 0.000 0.180 114 N C 1.371 176.924 175.510 0.072 0.000 1.028 114 N CA 0.634 53.642 53.050 -0.070 0.000 0.893 114 N CB 0.130 38.573 38.487 -0.073 0.000 0.967 114 N HN 0.347 nan 8.380 nan 0.000 0.440 115 Q N -0.245 119.605 119.800 0.082 0.000 2.408 115 Q HA 0.152 4.492 4.340 0.001 0.000 0.205 115 Q C 1.252 177.361 176.000 0.181 0.000 0.919 115 Q CA 0.547 56.467 55.803 0.194 0.000 0.932 115 Q CB 0.590 29.398 28.738 0.117 0.000 1.058 115 Q HN 0.283 nan 8.270 nan 0.000 0.517 116 Q N -1.165 118.698 119.800 0.105 0.000 2.477 116 Q HA 0.141 4.481 4.340 0.001 0.000 0.252 116 Q C 1.687 177.708 176.000 0.035 0.000 0.869 116 Q CA 0.037 55.883 55.803 0.072 0.000 0.969 116 Q CB -0.093 28.817 28.738 0.287 0.000 1.144 116 Q HN 0.275 nan 8.270 nan 0.000 0.577 117 L N 1.762 123.001 121.223 0.027 0.000 1.990 117 L HA -0.228 4.112 4.340 0.001 0.000 0.213 117 L C 2.474 179.371 176.870 0.045 0.000 1.072 117 L CA 2.175 57.028 54.840 0.021 0.000 0.755 117 L CB -1.113 40.896 42.059 -0.083 0.000 0.889 117 L HN 0.328 nan 8.230 nan 0.000 0.432 118 Y N -0.874 119.428 120.300 0.003 0.000 2.256 118 Y HA -0.210 4.341 4.550 0.001 0.000 0.288 118 Y C 2.225 178.143 175.900 0.030 0.000 1.155 118 Y CA 1.535 59.642 58.100 0.010 0.000 1.203 118 Y CB -1.283 37.175 38.460 -0.003 0.000 0.980 118 Y HN 0.372 nan 8.280 nan 0.000 0.530 119 Q N 0.507 119.831 119.800 -0.794 0.000 2.224 119 Q HA -0.054 4.287 4.340 0.001 0.000 0.203 119 Q C 2.201 178.092 176.000 -0.181 0.000 0.970 119 Q CA 1.556 57.024 55.803 -0.559 0.000 0.865 119 Q CB -0.119 28.291 28.738 -0.547 0.000 0.922 119 Q HN 0.591 nan 8.270 nan 0.000 0.445 120 L N -0.088 121.083 121.223 -0.086 0.000 2.179 120 L HA -0.090 4.250 4.340 0.001 0.000 0.208 120 L C 2.000 178.886 176.870 0.025 0.000 1.096 120 L CA 0.640 55.484 54.840 0.008 0.000 0.779 120 L CB -0.103 41.995 42.059 0.065 0.000 0.922 120 L HN 0.224 nan 8.230 nan 0.000 0.443 121 L N -0.795 120.447 121.223 0.031 0.000 2.375 121 L HA -0.002 4.338 4.340 0.001 0.000 0.215 121 L C 0.851 177.751 176.870 0.050 0.000 1.108 121 L CA -0.229 54.642 54.840 0.052 0.000 0.830 121 L CB -0.482 41.618 42.059 0.069 0.000 0.959 121 L HN 0.253 nan 8.230 nan 0.000 0.457 122 N N 1.296 120.022 118.700 0.043 0.000 2.301 122 N HA 0.027 4.767 4.740 0.001 0.000 0.267 122 N C 1.089 176.621 175.510 0.037 0.000 1.304 122 N CA 1.371 54.451 53.050 0.051 0.000 0.851 122 N CB 0.550 39.060 38.487 0.039 0.000 1.070 122 N HN 0.354 nan 8.380 nan 0.000 0.483 123 G N 2.308 111.131 108.800 0.039 0.000 2.199 123 G HA2 -0.253 3.708 3.960 0.001 0.000 0.254 123 G HA3 -0.253 3.708 3.960 0.001 0.000 0.254 123 G C 0.166 175.084 174.900 0.031 0.000 0.982 123 G CA 0.393 45.511 45.100 0.031 0.000 0.632 123 G HN 0.553 nan 8.290 nan 0.000 0.529 124 L N 0.594 121.839 121.223 0.036 0.000 2.453 124 L HA 0.384 4.725 4.340 0.001 0.000 0.261 124 L C 1.093 177.981 176.870 0.029 0.000 1.179 124 L CA -0.463 54.400 54.840 0.039 0.000 0.813 124 L CB 0.409 42.498 42.059 0.049 0.000 1.110 124 L HN -0.038 nan 8.230 nan 0.000 0.466 125 D N 0.115 120.532 120.400 0.028 0.000 2.301 125 D HA 0.104 4.744 4.640 0.001 0.000 0.206 125 D C -0.000 176.296 176.300 -0.006 0.000 0.979 125 D CA 0.908 54.916 54.000 0.014 0.000 0.874 125 D CB 0.897 41.707 40.800 0.017 0.000 0.968 125 D HN 0.132 nan 8.370 nan 0.000 0.510 126 V N 0.856 120.767 119.914 -0.005 0.000 2.841 126 V HA 0.385 4.505 4.120 0.001 0.000 0.310 126 V C -0.684 175.379 176.094 -0.052 0.000 1.090 126 V CA -0.986 61.268 62.300 -0.077 0.000 0.930 126 V CB 3.144 34.874 31.823 -0.154 0.000 1.014 126 V HN -0.191 nan 8.190 nan 0.000 0.425 127 V N 4.943 124.797 119.914 -0.100 0.000 2.531 127 V HA 0.621 4.741 4.120 0.001 0.000 0.301 127 V C -1.626 174.457 176.094 -0.018 0.000 1.034 127 V CA -0.343 61.972 62.300 0.025 0.000 0.865 127 V CB 1.652 33.514 31.823 0.065 0.000 0.995 127 V HN 0.748 nan 8.190 nan 0.000 0.424 128 Y N 6.582 127.014 120.300 0.220 0.000 2.367 128 Y HA 0.677 5.228 4.550 0.001 0.000 0.342 128 Y C 0.100 176.316 175.900 0.527 0.000 0.979 128 Y CA -0.058 58.244 58.100 0.337 0.000 1.161 128 Y CB 1.031 39.716 38.460 0.375 0.000 1.155 128 Y HN 0.868 nan 8.280 nan 0.000 0.503 129 H N 1.470 120.724 119.070 0.306 0.000 2.947 129 H HA 0.648 5.205 4.556 0.000 0.000 0.354 129 H C -1.270 173.937 175.328 -0.202 0.000 1.085 129 H CA -1.023 55.147 56.048 0.204 0.000 1.253 129 H CB 1.449 31.316 29.762 0.174 0.000 1.757 129 H HN 0.655 nan 8.280 nan 0.000 0.523 130 A N 4.973 127.253 122.820 -0.900 0.000 3.037 130 A HA 0.158 4.478 4.320 0.001 0.000 0.272 130 A C 0.392 177.407 177.584 -0.949 0.000 1.723 130 A CA -0.392 51.027 52.037 -1.029 0.000 1.413 130 A CB -0.853 17.472 19.000 -1.125 0.000 1.112 130 A HN 0.784 nan 8.150 nan 0.000 0.606 131 Q N 0.675 119.964 119.800 -0.852 0.000 2.263 131 Q HA 0.324 4.664 4.340 0.001 0.000 0.289 131 Q C 1.280 177.089 176.000 -0.319 0.000 1.061 131 Q CA 1.471 56.964 55.803 -0.516 0.000 0.927 131 Q CB 0.137 28.755 28.738 -0.200 0.000 1.154 131 Q HN 1.314 nan 8.270 nan 0.000 0.378 132 G N 3.250 111.916 108.800 -0.224 0.000 2.194 132 G HA2 -0.307 3.653 3.960 0.001 0.000 0.236 132 G HA3 -0.307 3.653 3.960 0.001 0.000 0.236 132 G C 0.653 175.428 174.900 -0.207 0.000 0.987 132 G CA 0.434 45.434 45.100 -0.167 0.000 0.635 132 G HN 0.686 nan 8.290 nan 0.000 0.520 133 E N -0.240 119.773 120.200 -0.312 0.000 2.028 133 E HA 0.130 4.481 4.350 0.001 0.000 0.191 133 E C 0.239 176.530 176.600 -0.514 0.000 0.988 133 E CA 1.238 57.363 56.400 -0.459 0.000 0.799 133 E CB -0.056 29.330 29.700 -0.523 0.000 0.755 133 E HN 0.574 nan 8.360 nan 0.000 0.447 134 Y N -1.590 118.663 120.300 -0.077 0.000 2.406 134 Y HA 0.572 5.123 4.550 0.000 0.000 0.340 134 Y C 0.701 176.546 175.900 -0.093 0.000 0.975 134 Y CA -0.590 57.493 58.100 -0.029 0.000 1.056 134 Y CB 1.739 40.216 38.460 0.028 0.000 1.210 134 Y HN 0.021 nan 8.280 nan 0.000 0.448 135 A N 2.668 125.594 122.820 0.176 0.000 1.902 135 A HA -0.243 4.078 4.320 0.001 0.000 0.217 135 A C 1.839 179.459 177.584 0.060 0.000 1.181 135 A CA 2.158 54.248 52.037 0.087 0.000 0.623 135 A CB -1.153 17.909 19.000 0.103 0.000 0.818 135 A HN 0.950 nan 8.150 nan 0.000 0.443 136 Y N -0.666 119.655 120.300 0.036 0.000 2.333 136 Y HA 0.097 4.647 4.550 0.000 0.000 0.290 136 Y C 2.250 178.120 175.900 -0.049 0.000 1.144 136 Y CA 0.751 58.860 58.100 0.015 0.000 1.228 136 Y CB -0.755 37.727 38.460 0.037 0.000 0.985 136 Y HN 0.219 nan 8.280 nan 0.000 0.542 137 A N 0.759 122.970 122.820 -1.015 0.000 1.897 137 A HA -0.104 4.217 4.320 0.001 0.000 0.215 137 A C 1.810 179.000 177.584 -0.657 0.000 1.181 137 A CA 1.512 52.740 52.037 -1.349 0.000 0.620 137 A CB -0.711 17.308 19.000 -1.635 0.000 0.821 137 A HN 0.496 nan 8.150 nan 0.000 0.443 138 D N -0.124 120.099 120.400 -0.297 0.000 2.144 138 D HA -0.094 4.546 4.640 0.001 0.000 0.199 138 D C 2.047 178.276 176.300 -0.119 0.000 0.984 138 D CA 1.229 55.166 54.000 -0.105 0.000 0.834 138 D CB -0.359 40.430 40.800 -0.018 0.000 0.955 138 D HN 0.202 nan 8.370 nan 0.000 0.465 139 V N 1.165 121.017 119.914 -0.103 0.000 2.295 139 V HA -0.219 3.901 4.120 0.001 0.000 0.246 139 V C 2.525 178.579 176.094 -0.067 0.000 1.049 139 V CA 1.145 63.413 62.300 -0.054 0.000 1.024 139 V CB -0.320 31.501 31.823 -0.004 0.000 0.648 139 V HN 0.180 nan 8.190 nan 0.000 0.447 140 I N -0.525 119.992 120.570 -0.089 0.000 2.179 140 I HA -0.215 3.956 4.170 0.001 0.000 0.242 140 I C 2.352 178.432 176.117 -0.062 0.000 1.088 140 I CA 1.313 62.582 61.300 -0.051 0.000 1.357 140 I CB -0.378 37.638 38.000 0.027 0.000 1.051 140 I HN 0.146 nan 8.210 nan 0.000 0.409 141 V N 1.088 120.921 119.914 -0.135 0.000 2.270 141 V HA -0.253 3.868 4.120 0.001 0.000 0.245 141 V C 2.148 178.174 176.094 -0.112 0.000 1.043 141 V CA 1.906 64.106 62.300 -0.167 0.000 1.014 141 V CB -0.851 30.670 31.823 -0.503 0.000 0.645 141 V HN 0.436 nan 8.190 nan 0.000 0.447 142 N N 0.067 118.705 118.700 -0.104 0.000 2.149 142 N HA -0.161 4.579 4.740 0.001 0.000 0.188 142 N C 2.132 177.614 175.510 -0.047 0.000 1.019 142 N CA 1.792 54.807 53.050 -0.059 0.000 0.857 142 N CB -0.545 37.915 38.487 -0.044 0.000 0.997 142 N HN 0.447 nan 8.380 nan 0.000 0.426 143 S N 0.315 115.985 115.700 -0.050 0.000 2.368 143 S HA -0.028 4.442 4.470 0.001 0.000 0.225 143 S C 1.939 176.509 174.600 -0.050 0.000 1.030 143 S CA 1.249 59.419 58.200 -0.050 0.000 0.999 143 S CB -0.189 62.982 63.200 -0.048 0.000 0.844 143 S HN 0.408 nan 8.310 nan 0.000 0.459 144 A N 1.299 124.105 122.820 -0.024 0.000 1.898 144 A HA 0.115 4.435 4.320 0.001 0.000 0.216 144 A C 2.199 179.799 177.584 0.026 0.000 1.181 144 A CA 1.256 53.309 52.037 0.027 0.000 0.620 144 A CB -0.742 18.299 19.000 0.069 0.000 0.819 144 A HN 0.564 nan 8.150 nan 0.000 0.442 145 L N -0.982 120.243 121.223 0.005 0.000 2.093 145 L HA -0.173 4.168 4.340 0.001 0.000 0.208 145 L C 2.643 179.508 176.870 -0.009 0.000 1.085 145 L CA 1.640 56.484 54.840 0.006 0.000 0.755 145 L CB -0.450 41.605 42.059 -0.006 0.000 0.904 145 L HN 0.402 nan 8.230 nan 0.000 0.435 146 E N 0.768 120.951 120.200 -0.028 0.000 2.077 146 E HA -0.247 4.103 4.350 0.001 0.000 0.193 146 E C 2.125 178.692 176.600 -0.056 0.000 0.989 146 E CA 1.376 57.754 56.400 -0.038 0.000 0.800 146 E CB -0.004 29.670 29.700 -0.044 0.000 0.746 146 E HN 0.181 nan 8.360 nan 0.000 0.452 147 K N -0.316 120.030 120.400 -0.090 0.000 2.103 147 K HA -0.124 4.196 4.320 0.001 0.000 0.207 147 K C 2.059 178.596 176.600 -0.105 0.000 1.048 147 K CA 1.301 57.490 56.287 -0.163 0.000 0.930 147 K CB -0.118 32.181 32.500 -0.336 0.000 0.716 147 K HN 0.167 nan 8.250 nan 0.000 0.444 148 L N -0.043 121.166 121.223 -0.023 0.000 2.044 148 L HA -0.119 4.221 4.340 0.001 0.000 0.205 148 L C 2.538 179.417 176.870 0.015 0.000 1.075 148 L CA 1.105 55.968 54.840 0.039 0.000 0.747 148 L CB -0.351 41.757 42.059 0.082 0.000 0.903 148 L HN 0.122 nan 8.230 nan 0.000 0.435 149 R N 0.521 121.021 120.500 0.001 0.000 2.091 149 R HA -0.163 4.177 4.340 0.001 0.000 0.238 149 R C 1.762 178.057 176.300 -0.009 0.000 1.136 149 R CA 1.356 57.455 56.100 -0.002 0.000 0.959 149 R CB -0.165 30.131 30.300 -0.008 0.000 0.856 149 R HN 0.313 nan 8.270 nan 0.000 0.437 150 K N -0.411 119.976 120.400 -0.021 0.000 2.417 150 K HA 0.087 4.407 4.320 0.001 0.000 0.196 150 K C 0.885 177.471 176.600 -0.024 0.000 1.023 150 K CA 0.311 56.583 56.287 -0.025 0.000 1.122 150 K CB 1.029 33.508 32.500 -0.036 0.000 0.850 150 K HN 0.179 nan 8.250 nan 0.000 0.521 151 G N 1.055 109.845 108.800 -0.016 0.000 3.820 151 G HA2 -0.053 3.907 3.960 0.001 0.000 0.293 151 G HA3 -0.053 3.907 3.960 0.001 0.000 0.293 151 G C 0.979 175.886 174.900 0.011 0.000 1.152 151 G CA -0.293 44.803 45.100 -0.006 0.000 0.921 151 G HN 0.217 nan 8.290 nan 0.000 0.544 152 S N 0.590 116.294 115.700 0.007 0.000 2.400 152 S HA -0.149 4.322 4.470 0.001 0.000 0.232 152 S C 2.073 176.679 174.600 0.011 0.000 1.025 152 S CA 0.542 58.748 58.200 0.011 0.000 0.993 152 S CB -0.203 63.001 63.200 0.006 0.000 0.808 152 S HN 0.433 nan 8.310 nan 0.000 0.478 153 R N 0.512 121.017 120.500 0.007 0.000 2.235 153 R HA 0.116 4.456 4.340 0.001 0.000 0.213 153 R C 1.185 177.493 176.300 0.013 0.000 1.059 153 R CA 0.965 57.070 56.100 0.008 0.000 0.997 153 R CB -0.159 30.143 30.300 0.003 0.000 0.884 153 R HN 0.439 nan 8.270 nan 0.000 0.462 154 Q N -0.158 119.654 119.800 0.020 0.000 2.198 154 Q HA 0.159 4.500 4.340 0.001 0.000 0.209 154 Q C -0.525 175.499 176.000 0.039 0.000 0.848 154 Q CA -0.086 55.736 55.803 0.032 0.000 0.974 154 Q CB 0.446 29.210 28.738 0.043 0.000 1.115 154 Q HN 0.147 nan 8.270 nan 0.000 0.494 155 N N 0.079 118.797 118.700 0.031 0.000 2.747 155 N HA -0.181 4.559 4.740 0.001 0.000 0.249 155 N C -1.084 174.451 175.510 0.041 0.000 1.107 155 N CA 0.617 53.684 53.050 0.030 0.000 0.707 155 N CB -1.583 36.919 38.487 0.026 0.000 1.054 155 N HN 0.308 nan 8.380 nan 0.000 0.555 156 L N 0.451 121.705 121.223 0.051 0.000 2.322 156 L HA 0.608 4.949 4.340 0.001 0.000 0.279 156 L C 0.903 177.803 176.870 0.050 0.000 1.036 156 L CA -0.449 54.433 54.840 0.070 0.000 0.807 156 L CB 1.906 44.028 42.059 0.105 0.000 1.226 156 L HN 0.163 nan 8.230 nan 0.000 0.433 157 T N -0.712 113.873 114.554 0.052 0.000 2.933 157 T HA 0.775 5.125 4.350 0.001 0.000 0.305 157 T C -0.639 174.087 174.700 0.043 0.000 1.092 157 T CA -0.788 61.335 62.100 0.037 0.000 1.008 157 T CB 1.980 70.865 68.868 0.028 0.000 1.102 157 T HN 0.673 nan 8.240 nan 0.000 0.469 158 A N 3.621 126.461 122.820 0.033 0.000 2.312 158 A HA 0.852 5.173 4.320 0.001 0.000 0.328 158 A C -2.427 175.170 177.584 0.022 0.000 1.158 158 A CA -1.979 50.078 52.037 0.032 0.000 0.821 158 A CB 0.150 19.165 19.000 0.024 0.000 1.170 158 A HN 0.769 nan 8.150 nan 0.000 0.490 159 P HA 0.210 nan 4.420 nan 0.000 0.271 159 P C 0.389 177.689 177.300 -0.000 0.000 1.220 159 P CA 0.233 63.340 63.100 0.010 0.000 0.768 159 P CB 1.402 33.108 31.700 0.011 0.000 0.848 160 A N 3.381 126.197 122.820 -0.005 0.000 2.123 160 A HA 0.066 4.386 4.320 0.001 0.000 0.214 160 A C 0.902 178.474 177.584 -0.020 0.000 1.152 160 A CA 0.947 52.978 52.037 -0.009 0.000 0.728 160 A CB -0.424 18.572 19.000 -0.007 0.000 0.814 160 A HN 0.536 nan 8.150 nan 0.000 0.464 161 T N 0.709 115.243 114.554 -0.034 0.000 2.771 161 T HA 0.534 4.884 4.350 0.001 0.000 0.281 161 T C -0.530 174.117 174.700 -0.089 0.000 0.982 161 T CA -0.082 61.983 62.100 -0.059 0.000 0.978 161 T CB 1.099 69.924 68.868 -0.072 0.000 0.930 161 T HN 0.349 nan 8.240 nan 0.000 0.447 162 M N 5.129 124.682 119.600 -0.079 0.000 2.181 162 M HA 0.579 5.059 4.480 0.001 0.000 0.323 162 M C -1.737 174.497 176.300 -0.110 0.000 1.004 162 M CA -0.741 54.513 55.300 -0.077 0.000 0.941 162 M CB 0.657 33.252 32.600 -0.007 0.000 1.579 162 M HN 0.550 nan 8.290 nan 0.000 0.427 163 I N 3.481 123.938 120.570 -0.188 0.000 2.433 163 I HA 0.269 4.439 4.170 0.001 0.000 0.292 163 I C -0.561 175.554 176.117 -0.002 0.000 1.001 163 I CA -0.856 60.363 61.300 -0.135 0.000 1.119 163 I CB 1.830 39.670 38.000 -0.266 0.000 1.289 163 I HN 0.589 nan 8.210 nan 0.000 0.438 164 D N 6.888 127.265 120.400 -0.040 0.000 2.358 164 D HA 0.004 4.644 4.640 0.001 0.000 0.258 164 D C 0.821 177.109 176.300 -0.020 0.000 1.223 164 D CA -0.250 53.652 54.000 -0.164 0.000 0.886 164 D CB 0.671 41.347 40.800 -0.207 0.000 1.120 164 D HN 0.534 nan 8.370 nan 0.000 0.482 165 W N 3.968 125.341 121.300 0.122 0.000 3.047 165 W HA 0.094 4.755 4.660 0.001 0.000 0.250 165 W C 1.134 177.637 176.519 -0.027 0.000 1.314 165 W CA -0.611 56.800 57.345 0.110 0.000 1.540 165 W CB -0.338 29.195 29.460 0.122 0.000 1.127 165 W HN 0.321 nan 8.180 nan 0.000 0.679 166 R N 1.319 121.690 120.500 -0.216 0.000 2.096 166 R HA -0.143 4.197 4.340 0.001 0.000 0.240 166 R C -0.350 175.701 176.300 -0.415 0.000 1.139 166 R CA 2.198 58.036 56.100 -0.436 0.000 0.952 166 R CB -1.706 28.180 30.300 -0.689 0.000 0.854 166 R HN 0.109 nan 8.270 nan 0.000 0.436 167 P HA -0.138 nan 4.420 nan 0.000 0.215 167 P C 1.325 178.654 177.300 0.048 0.000 1.153 167 P CA 1.116 64.195 63.100 -0.035 0.000 0.853 167 P CB 0.079 31.786 31.700 0.011 0.000 0.788 168 V N -0.649 119.326 119.914 0.101 0.000 2.307 168 V HA -0.173 3.948 4.120 0.001 0.000 0.245 168 V C 2.417 178.613 176.094 0.169 0.000 1.045 168 V CA 1.676 64.057 62.300 0.135 0.000 1.024 168 V CB -1.087 30.825 31.823 0.148 0.000 0.651 168 V HN -0.045 nan 8.190 nan 0.000 0.449 169 V N -0.308 119.749 119.914 0.238 0.000 2.427 169 V HA -0.259 3.861 4.120 0.001 0.000 0.248 169 V C 2.192 178.418 176.094 0.219 0.000 1.051 169 V CA 2.070 64.544 62.300 0.290 0.000 1.048 169 V CB -0.942 31.167 31.823 0.475 0.000 0.666 169 V HN 0.680 nan 8.190 nan 0.000 0.456 170 H N -0.629 118.498 119.070 0.095 0.000 2.457 170 H HA -0.146 4.411 4.556 0.001 0.000 0.294 170 H C 2.356 177.651 175.328 -0.054 0.000 1.064 170 H CA 1.129 57.169 56.048 -0.013 0.000 1.330 170 H CB 0.328 30.102 29.762 0.019 0.000 1.395 170 H HN 0.380 nan 8.280 nan 0.000 0.541 171 E N 1.145 121.425 120.200 0.133 0.000 2.152 171 E HA -0.113 4.237 4.350 0.001 0.000 0.192 171 E C 2.070 178.753 176.600 0.139 0.000 0.983 171 E CA 0.820 57.281 56.400 0.102 0.000 0.818 171 E CB -0.012 29.755 29.700 0.111 0.000 0.758 171 E HN 0.410 nan 8.360 nan 0.000 0.467 172 M N -0.450 119.219 119.600 0.114 0.000 2.099 172 M HA -0.045 4.435 4.480 0.001 0.000 0.262 172 M C 2.290 178.630 176.300 0.066 0.000 1.067 172 M CA 1.447 56.826 55.300 0.131 0.000 1.124 172 M CB -0.102 32.604 32.600 0.177 0.000 1.353 172 M HN -0.022 nan 8.290 nan 0.000 0.410 173 R N 0.118 120.526 120.500 -0.154 0.000 2.193 173 R HA -0.130 4.211 4.340 0.001 0.000 0.229 173 R C 2.011 178.215 176.300 -0.161 0.000 1.110 173 R CA 0.830 56.766 56.100 -0.274 0.000 0.988 173 R CB -0.477 29.553 30.300 -0.451 0.000 0.871 173 R HN 0.243 nan 8.270 nan 0.000 0.458 174 L N -0.036 121.067 121.223 -0.201 0.000 2.191 174 L HA -0.025 4.315 4.340 0.001 0.000 0.212 174 L C -0.088 176.453 176.870 -0.549 0.000 1.103 174 L CA 1.559 56.107 54.840 -0.486 0.000 0.769 174 L CB 0.073 41.757 42.059 -0.625 0.000 0.908 174 L HN -0.114 nan 8.230 nan 0.000 0.438 175 F N 0.733 120.588 119.950 -0.158 0.000 2.332 175 F HA 0.396 4.923 4.527 0.000 0.000 0.368 175 F C 0.498 176.280 175.800 -0.029 0.000 1.110 175 F CA -0.986 56.956 58.000 -0.096 0.000 1.087 175 F CB 0.570 39.527 39.000 -0.072 0.000 1.235 175 F HN -0.302 nan 8.300 nan 0.000 0.470 176 K N 1.764 122.211 120.400 0.078 0.000 2.270 176 K HA 0.313 4.634 4.320 0.001 0.000 0.276 176 K C 0.307 176.948 176.600 0.068 0.000 1.023 176 K CA -0.290 56.043 56.287 0.077 0.000 0.955 176 K CB 0.717 33.232 32.500 0.026 0.000 0.975 176 K HN 0.597 nan 8.250 nan 0.000 0.471 177 S N 2.152 117.877 115.700 0.042 0.000 2.681 177 S HA 0.327 4.797 4.470 0.001 0.000 0.270 177 S C -1.720 172.864 174.600 -0.026 0.000 1.209 177 S CA -1.143 57.060 58.200 0.006 0.000 0.988 177 S CB 1.009 64.194 63.200 -0.025 0.000 1.006 177 S HN 0.318 nan 8.310 nan 0.000 0.558 178 P HA -0.067 nan 4.420 nan 0.000 0.215 178 P C 1.254 178.517 177.300 -0.063 0.000 1.153 178 P CA 1.248 64.325 63.100 -0.038 0.000 0.853 178 P CB 0.013 31.694 31.700 -0.032 0.000 0.788 179 E N -0.301 119.850 120.200 -0.082 0.000 2.077 179 E HA -0.212 4.138 4.350 0.001 0.000 0.193 179 E C 1.948 178.454 176.600 -0.155 0.000 0.989 179 E CA 1.087 57.422 56.400 -0.109 0.000 0.800 179 E CB -0.278 29.341 29.700 -0.136 0.000 0.746 179 E HN 0.432 nan 8.360 nan 0.000 0.452 180 E N 0.360 120.453 120.200 -0.179 0.000 2.106 180 E HA -0.151 4.200 4.350 0.001 0.000 0.192 180 E C 2.140 178.572 176.600 -0.280 0.000 0.984 180 E CA 0.671 56.873 56.400 -0.329 0.000 0.806 180 E CB -0.030 29.552 29.700 -0.197 0.000 0.750 180 E HN 0.285 nan 8.360 nan 0.000 0.458 181 I N 1.152 121.640 120.570 -0.137 0.000 2.286 181 I HA -0.254 3.916 4.170 0.001 0.000 0.248 181 I C 2.536 178.606 176.117 -0.079 0.000 1.115 181 I CA 0.818 62.066 61.300 -0.087 0.000 1.392 181 I CB -0.270 37.704 38.000 -0.043 0.000 1.065 181 I HN 0.079 nan 8.210 nan 0.000 0.418 182 A N 0.430 123.205 122.820 -0.076 0.000 1.902 182 A HA -0.147 4.173 4.320 0.001 0.000 0.217 182 A C 2.418 179.986 177.584 -0.025 0.000 1.181 182 A CA 1.723 53.735 52.037 -0.042 0.000 0.623 182 A CB -0.905 18.076 19.000 -0.032 0.000 0.818 182 A HN 0.238 nan 8.150 nan 0.000 0.443 183 V N -0.121 119.752 119.914 -0.067 0.000 2.358 183 V HA -0.222 3.898 4.120 0.001 0.000 0.246 183 V C 2.529 178.643 176.094 0.034 0.000 1.047 183 V CA 1.841 64.150 62.300 0.015 0.000 1.035 183 V CB -0.710 31.023 31.823 -0.151 0.000 0.658 183 V HN 0.551 nan 8.190 nan 0.000 0.452 184 L N -0.421 120.747 121.223 -0.091 0.000 2.141 184 L HA -0.143 4.197 4.340 0.001 0.000 0.209 184 L C 2.714 179.589 176.870 0.008 0.000 1.094 184 L CA 1.521 56.359 54.840 -0.003 0.000 0.763 184 L CB -0.504 41.544 42.059 -0.018 0.000 0.908 184 L HN 0.251 nan 8.230 nan 0.000 0.437 185 R N 0.103 120.593 120.500 -0.016 0.000 2.081 185 R HA -0.219 4.122 4.340 0.001 0.000 0.235 185 R C 2.447 178.719 176.300 -0.046 0.000 1.131 185 R CA 1.414 57.501 56.100 -0.022 0.000 0.960 185 R CB -0.050 30.236 30.300 -0.023 0.000 0.856 185 R HN 0.075 nan 8.270 nan 0.000 0.436 186 R N 0.566 121.030 120.500 -0.060 0.000 2.092 186 R HA 0.028 4.368 4.340 0.001 0.000 0.231 186 R C 1.910 178.055 176.300 -0.259 0.000 1.119 186 R CA 1.776 57.767 56.100 -0.183 0.000 0.970 186 R CB -0.706 29.453 30.300 -0.236 0.000 0.864 186 R HN 0.315 nan 8.270 nan 0.000 0.440 187 A N -0.436 122.310 122.820 -0.124 0.000 1.933 187 A HA -0.026 4.295 4.320 0.001 0.000 0.218 187 A C 2.344 179.895 177.584 -0.054 0.000 1.175 187 A CA 1.677 53.671 52.037 -0.072 0.000 0.628 187 A CB -1.302 17.759 19.000 0.102 0.000 0.814 187 A HN 0.512 nan 8.150 nan 0.000 0.444 188 G N -0.560 108.227 108.800 -0.021 0.000 2.402 188 G HA2 -0.202 3.758 3.960 0.001 0.000 0.216 188 G HA3 -0.202 3.758 3.960 0.001 0.000 0.216 188 G C 1.464 176.356 174.900 -0.013 0.000 1.162 188 G CA 1.289 46.392 45.100 0.005 0.000 0.777 188 G HN 0.534 nan 8.290 nan 0.000 0.539 189 E N 0.804 120.966 120.200 -0.064 0.000 2.051 189 E HA -0.071 4.279 4.350 0.001 0.000 0.192 189 E C 2.456 178.991 176.600 -0.107 0.000 0.991 189 E CA 0.854 57.203 56.400 -0.086 0.000 0.799 189 E CB -0.426 29.197 29.700 -0.128 0.000 0.748 189 E HN 0.494 nan 8.360 nan 0.000 0.449 190 I N 0.097 120.564 120.570 -0.171 0.000 2.226 190 I HA -0.283 3.887 4.170 0.001 0.000 0.245 190 I C 2.170 178.352 176.117 0.108 0.000 1.100 190 I CA 1.638 62.847 61.300 -0.152 0.000 1.374 190 I CB -0.445 37.444 38.000 -0.184 0.000 1.057 190 I HN 0.148 nan 8.210 nan 0.000 0.413 191 T N 0.671 115.301 114.554 0.125 0.000 2.821 191 T HA -0.115 4.235 4.350 0.001 0.000 0.267 191 T C 2.060 176.992 174.700 0.387 0.000 1.046 191 T CA 1.323 63.635 62.100 0.352 0.000 1.139 191 T CB -0.288 68.724 68.868 0.239 0.000 0.871 191 T HN 0.471 nan 8.240 nan 0.000 0.454 192 A N 1.590 124.530 122.820 0.199 0.000 1.877 192 A HA -0.051 4.269 4.320 0.001 0.000 0.216 192 A C 2.347 180.033 177.584 0.171 0.000 1.186 192 A CA 1.485 53.619 52.037 0.163 0.000 0.620 192 A CB -0.699 18.341 19.000 0.068 0.000 0.822 192 A HN 0.440 nan 8.150 nan 0.000 0.443 193 M N -0.599 119.071 119.600 0.117 0.000 2.159 193 M HA -0.176 4.304 4.480 0.001 0.000 0.263 193 M C 2.514 178.900 176.300 0.143 0.000 1.063 193 M CA 1.390 56.752 55.300 0.104 0.000 1.110 193 M CB -0.452 32.183 32.600 0.059 0.000 1.374 193 M HN 0.517 nan 8.290 nan 0.000 0.411 194 A N -0.466 122.473 122.820 0.198 0.000 1.902 194 A HA -0.185 4.135 4.320 0.001 0.000 0.217 194 A C 1.879 179.474 177.584 0.018 0.000 1.181 194 A CA 1.421 53.513 52.037 0.091 0.000 0.623 194 A CB -1.080 17.951 19.000 0.051 0.000 0.818 194 A HN 0.474 nan 8.150 nan 0.000 0.443 195 H N -0.669 118.459 119.070 0.097 0.000 2.387 195 H HA -0.085 4.471 4.556 0.000 0.000 0.299 195 H C 2.295 177.623 175.328 0.001 0.000 1.090 195 H CA 1.880 57.976 56.048 0.080 0.000 1.332 195 H CB -0.273 29.565 29.762 0.127 0.000 1.386 195 H HN 0.458 nan 8.280 nan 0.000 0.516 196 T N 0.579 115.202 114.554 0.116 0.000 2.708 196 T HA -0.159 4.191 4.350 0.001 0.000 0.266 196 T C 2.110 176.791 174.700 -0.032 0.000 1.037 196 T CA 1.329 63.440 62.100 0.019 0.000 1.146 196 T CB -0.050 68.838 68.868 0.034 0.000 0.865 196 T HN 0.366 nan 8.240 nan 0.000 0.435 197 R N 0.884 121.382 120.500 -0.002 0.000 2.081 197 R HA -0.047 4.294 4.340 0.001 0.000 0.235 197 R C 2.556 178.825 176.300 -0.052 0.000 1.131 197 R CA 1.440 57.529 56.100 -0.020 0.000 0.960 197 R CB -0.451 29.854 30.300 0.008 0.000 0.856 197 R HN 0.361 nan 8.270 nan 0.000 0.436 198 A N 0.980 123.765 122.820 -0.059 0.000 1.908 198 A HA -0.184 4.136 4.320 0.001 0.000 0.218 198 A C 2.239 179.770 177.584 -0.088 0.000 1.181 198 A CA 1.719 53.736 52.037 -0.033 0.000 0.627 198 A CB -0.468 18.536 19.000 0.007 0.000 0.818 198 A HN 0.390 nan 8.150 nan 0.000 0.445 199 M N -0.874 118.535 119.600 -0.318 0.000 2.159 199 M HA -0.164 4.316 4.480 0.001 0.000 0.263 199 M C 1.965 178.090 176.300 -0.292 0.000 1.063 199 M CA 1.647 56.549 55.300 -0.662 0.000 1.110 199 M CB -0.435 31.696 32.600 -0.782 0.000 1.374 199 M HN 0.498 nan 8.290 nan 0.000 0.411 200 E N -0.065 120.033 120.200 -0.169 0.000 2.152 200 E HA -0.119 4.231 4.350 0.001 0.000 0.192 200 E C 1.867 178.429 176.600 -0.064 0.000 0.983 200 E CA 0.652 56.993 56.400 -0.099 0.000 0.818 200 E CB 0.110 29.769 29.700 -0.068 0.000 0.758 200 E HN 0.343 nan 8.360 nan 0.000 0.467 201 K N 0.406 120.775 120.400 -0.052 0.000 2.314 201 K HA 0.046 4.366 4.320 0.001 0.000 0.198 201 K C 0.939 177.532 176.600 -0.011 0.000 1.045 201 K CA 0.008 56.275 56.287 -0.034 0.000 0.988 201 K CB -0.400 32.079 32.500 -0.035 0.000 0.783 201 K HN 0.100 nan 8.250 nan 0.000 0.484 202 C N 3.228 122.545 119.300 0.028 0.000 2.596 202 C HA 0.085 4.545 4.460 0.001 0.000 0.414 202 C C 0.119 175.130 174.990 0.034 0.000 1.396 202 C CA 0.066 59.133 59.018 0.081 0.000 1.698 202 C CB -0.772 27.128 27.740 0.265 0.000 2.572 202 C HN 0.271 nan 8.230 nan 0.000 0.604 203 R N 4.890 125.395 120.500 0.009 0.000 2.643 203 R HA 0.417 4.757 4.340 0.001 0.000 0.269 203 R C -2.908 173.370 176.300 -0.037 0.000 1.037 203 R CA -1.755 54.334 56.100 -0.018 0.000 0.894 203 R CB 1.237 31.518 30.300 -0.032 0.000 1.238 203 R HN 0.417 nan 8.270 nan 0.000 0.459 204 P HA 0.120 nan 4.420 nan 0.000 0.269 204 P C 0.769 178.019 177.300 -0.084 0.000 1.209 204 P CA 1.004 64.061 63.100 -0.072 0.000 0.776 204 P CB 0.585 32.246 31.700 -0.065 0.000 0.876 205 G N 0.873 109.595 108.800 -0.129 0.000 2.279 205 G HA2 -0.247 3.713 3.960 0.001 0.000 0.223 205 G HA3 -0.247 3.713 3.960 0.001 0.000 0.223 205 G C 0.268 175.071 174.900 -0.162 0.000 1.015 205 G CA -0.191 44.823 45.100 -0.143 0.000 0.621 205 G HN 0.449 nan 8.290 nan 0.000 0.506 206 M N 0.490 120.033 119.600 -0.096 0.000 2.226 206 M HA 0.580 5.060 4.480 0.001 0.000 0.324 206 M C 0.179 176.426 176.300 -0.088 0.000 1.112 206 M CA -0.047 55.280 55.300 0.045 0.000 1.176 206 M CB 0.387 33.015 32.600 0.046 0.000 1.430 206 M HN 0.082 nan 8.290 nan 0.000 0.462 207 F N 0.341 120.286 119.950 -0.008 0.000 2.378 207 F HA 0.186 4.713 4.527 0.000 0.000 0.325 207 F C 1.451 176.992 175.800 -0.431 0.000 1.097 207 F CA -0.296 57.432 58.000 -0.454 0.000 1.079 207 F CB 0.705 38.989 39.000 -1.194 0.000 1.240 207 F HN 0.647 nan 8.300 nan 0.000 0.519 208 E N 0.587 120.715 120.200 -0.120 0.000 2.097 208 E HA -0.291 4.059 4.350 0.001 0.000 0.196 208 E C 1.699 178.285 176.600 -0.023 0.000 1.000 208 E CA 2.120 58.509 56.400 -0.019 0.000 0.804 208 E CB -0.376 29.395 29.700 0.119 0.000 0.740 208 E HN 0.775 nan 8.360 nan 0.000 0.454 209 Y N -0.872 119.442 120.300 0.022 0.000 2.483 209 Y HA -0.096 4.454 4.550 0.000 0.000 0.291 209 Y C 1.597 177.459 175.900 -0.063 0.000 1.143 209 Y CA 1.206 59.267 58.100 -0.065 0.000 1.289 209 Y CB -1.024 37.365 38.460 -0.118 0.000 0.983 209 Y HN 0.128 nan 8.280 nan 0.000 0.556 210 H N 0.267 119.297 119.070 -0.067 0.000 2.389 210 H HA -0.048 4.508 4.556 0.001 0.000 0.299 210 H C 1.967 177.286 175.328 -0.015 0.000 1.081 210 H CA 1.584 57.636 56.048 0.008 0.000 1.345 210 H CB -0.018 29.708 29.762 -0.059 0.000 1.393 210 H HN 0.329 nan 8.280 nan 0.000 0.520 211 L N 0.320 121.596 121.223 0.089 0.000 2.141 211 L HA -0.141 4.199 4.340 0.001 0.000 0.209 211 L C 2.514 179.338 176.870 -0.077 0.000 1.094 211 L CA 1.121 55.975 54.840 0.023 0.000 0.763 211 L CB -0.330 41.760 42.059 0.052 0.000 0.908 211 L HN 0.419 nan 8.230 nan 0.000 0.437 212 E N 0.680 120.821 120.200 -0.099 0.000 2.085 212 E HA -0.201 4.149 4.350 0.001 0.000 0.194 212 E C 2.171 178.512 176.600 -0.432 0.000 0.994 212 E CA 1.315 57.530 56.400 -0.309 0.000 0.801 212 E CB -0.138 29.432 29.700 -0.217 0.000 0.743 212 E HN 0.442 nan 8.360 nan 0.000 0.453 213 G N 0.996 109.708 108.800 -0.146 0.000 2.418 213 G HA2 -0.269 3.691 3.960 0.001 0.000 0.217 213 G HA3 -0.269 3.691 3.960 0.001 0.000 0.217 213 G C 1.441 176.312 174.900 -0.048 0.000 1.158 213 G CA 0.757 45.826 45.100 -0.051 0.000 0.771 213 G HN 0.211 nan 8.290 nan 0.000 0.545 214 E N 0.566 120.730 120.200 -0.059 0.000 2.051 214 E HA -0.094 4.256 4.350 0.001 0.000 0.192 214 E C 2.612 179.152 176.600 -0.100 0.000 0.991 214 E CA 0.613 56.978 56.400 -0.058 0.000 0.799 214 E CB -0.325 29.341 29.700 -0.056 0.000 0.748 214 E HN 0.525 nan 8.360 nan 0.000 0.449 215 I N 0.552 120.978 120.570 -0.240 0.000 2.142 215 I HA -0.298 3.872 4.170 0.001 0.000 0.240 215 I C 2.401 178.163 176.117 -0.590 0.000 1.078 215 I CA 1.389 62.415 61.300 -0.457 0.000 1.343 215 I CB -0.421 37.245 38.000 -0.556 0.000 1.046 215 I HN 0.209 nan 8.210 nan 0.000 0.405 216 H N -1.285 117.519 119.070 -0.443 0.000 2.353 216 H HA -0.222 4.334 4.556 0.000 0.000 0.300 216 H C 2.287 177.563 175.328 -0.086 0.000 1.090 216 H CA 1.260 57.141 56.048 -0.278 0.000 1.327 216 H CB -0.127 29.596 29.762 -0.065 0.000 1.383 216 H HN 0.397 nan 8.280 nan 0.000 0.508 217 H N 1.085 120.162 119.070 0.011 0.000 2.387 217 H HA -0.136 4.420 4.556 0.000 0.000 0.299 217 H C 2.096 177.429 175.328 0.009 0.000 1.090 217 H CA 1.701 57.757 56.048 0.013 0.000 1.332 217 H CB 0.281 30.039 29.762 -0.006 0.000 1.386 217 H HN 0.333 nan 8.280 nan 0.000 0.516 218 E N 0.152 120.412 120.200 0.101 0.000 2.072 218 E HA -0.119 4.231 4.350 0.001 0.000 0.191 218 E C 2.172 178.926 176.600 0.257 0.000 0.985 218 E CA 0.887 57.367 56.400 0.134 0.000 0.801 218 E CB -0.431 29.350 29.700 0.134 0.000 0.750 218 E HN 0.271 nan 8.360 nan 0.000 0.452 219 F N 1.484 121.504 119.950 0.116 0.000 2.069 219 F HA -0.202 4.325 4.527 0.000 0.000 0.298 219 F C 2.371 178.191 175.800 0.034 0.000 1.113 219 F CA 1.497 59.557 58.000 0.100 0.000 1.214 219 F CB -1.521 37.516 39.000 0.063 0.000 0.978 219 F HN 0.253 nan 8.300 nan 0.000 0.474 220 N N 1.438 120.234 118.700 0.159 0.000 2.069 220 N HA -0.243 4.497 4.740 0.001 0.000 0.191 220 N C 2.047 177.496 175.510 -0.103 0.000 1.031 220 N CA 1.747 54.783 53.050 -0.024 0.000 0.852 220 N CB -0.238 38.180 38.487 -0.115 0.000 1.018 220 N HN 0.427 nan 8.380 nan 0.000 0.423 221 R N -0.732 119.630 120.500 -0.230 0.000 2.241 221 R HA -0.078 4.262 4.340 0.001 0.000 0.224 221 R C 0.719 176.835 176.300 -0.306 0.000 1.101 221 R CA 1.235 57.152 56.100 -0.306 0.000 0.995 221 R CB -0.581 29.484 30.300 -0.391 0.000 0.870 221 R HN 0.396 nan 8.270 nan 0.000 0.463 222 H N -0.354 118.729 119.070 0.022 0.000 2.529 222 H HA 0.207 4.763 4.556 0.000 0.000 0.277 222 H C 0.979 176.351 175.328 0.074 0.000 1.004 222 H CA 0.622 56.687 56.048 0.029 0.000 1.167 222 H CB 1.175 30.938 29.762 0.002 0.000 1.445 222 H HN 0.601 nan 8.280 nan 0.000 0.554 223 G N 0.709 109.596 108.800 0.144 0.000 2.175 223 G HA2 -0.247 3.713 3.960 0.001 0.000 0.244 223 G HA3 -0.247 3.713 3.960 0.001 0.000 0.244 223 G C 0.534 175.556 174.900 0.203 0.000 0.982 223 G CA 0.107 45.310 45.100 0.172 0.000 0.641 223 G HN 0.595 nan 8.290 nan 0.000 0.527 224 A N 0.418 123.354 122.820 0.193 0.000 2.880 224 A HA 0.733 5.053 4.320 0.001 0.000 0.328 224 A C 1.253 178.839 177.584 0.003 0.000 1.440 224 A CA 0.640 52.763 52.037 0.143 0.000 1.068 224 A CB 0.017 19.073 19.000 0.094 0.000 1.163 224 A HN 0.393 nan 8.150 nan 0.000 0.510 225 R N 0.512 120.927 120.500 -0.143 0.000 2.103 225 R HA -0.127 4.213 4.340 0.001 0.000 0.242 225 R C -0.467 175.515 176.300 -0.530 0.000 1.142 225 R CA 1.688 57.532 56.100 -0.428 0.000 0.960 225 R CB -0.083 29.769 30.300 -0.746 0.000 0.858 225 R HN 0.705 nan 8.270 nan 0.000 0.439 226 Y N -1.169 119.117 120.300 -0.023 0.000 2.524 226 Y HA 0.420 4.971 4.550 0.001 0.000 0.344 226 Y C -2.172 173.661 175.900 -0.112 0.000 1.012 226 Y CA -3.665 54.392 58.100 -0.071 0.000 1.068 226 Y CB 1.050 39.455 38.460 -0.092 0.000 1.249 226 Y HN -0.087 nan 8.280 nan 0.000 0.468 227 P HA 0.122 nan 4.420 nan 0.000 0.276 227 P C 0.241 177.474 177.300 -0.113 0.000 1.244 227 P CA -0.224 62.833 63.100 -0.072 0.000 0.801 227 P CB 0.900 32.562 31.700 -0.063 0.000 1.006 228 S N 0.270 115.870 115.700 -0.167 0.000 2.562 228 S HA 0.095 4.565 4.470 0.001 0.000 0.221 228 S C 0.102 174.766 174.600 0.107 0.000 0.975 228 S CA 0.360 58.553 58.200 -0.013 0.000 0.918 228 S CB -0.964 62.296 63.200 0.101 0.000 0.772 228 S HN 0.579 nan 8.310 nan 0.000 0.531 229 Y N -1.818 118.468 120.300 -0.023 0.000 2.741 229 Y HA 0.532 5.083 4.550 0.001 0.000 0.339 229 Y C -1.429 174.478 175.900 0.011 0.000 1.226 229 Y CA -1.833 56.238 58.100 -0.049 0.000 1.072 229 Y CB -0.217 38.189 38.460 -0.091 0.000 1.331 229 Y HN -0.235 nan 8.280 nan 0.000 0.453 230 N N 1.646 120.411 118.700 0.109 0.000 2.452 230 N HA 0.102 4.842 4.740 0.001 0.000 0.266 230 N C -0.496 175.074 175.510 0.100 0.000 1.209 230 N CA 0.268 53.351 53.050 0.056 0.000 0.929 230 N CB 0.935 39.432 38.487 0.018 0.000 1.063 230 N HN 0.705 nan 8.380 nan 0.000 0.472 231 T N 2.874 117.482 114.554 0.090 0.000 2.934 231 T HA 0.127 4.478 4.350 0.001 0.000 0.306 231 T C 0.903 175.671 174.700 0.113 0.000 1.042 231 T CA 0.239 62.410 62.100 0.118 0.000 1.145 231 T CB 0.210 69.169 68.868 0.153 0.000 0.982 231 T HN 0.253 nan 8.240 nan 0.000 0.544 232 I N 3.282 123.954 120.570 0.170 0.000 2.378 232 I HA 0.393 4.564 4.170 0.001 0.000 0.291 232 I C -0.500 175.734 176.117 0.195 0.000 0.992 232 I CA -0.790 60.615 61.300 0.175 0.000 1.154 232 I CB 1.790 39.916 38.000 0.210 0.000 1.315 232 I HN 0.276 nan 8.210 nan 0.000 0.448 233 V N 5.627 125.674 119.914 0.222 0.000 2.454 233 V HA 0.434 4.554 4.120 0.001 0.000 0.267 233 V C 0.283 176.553 176.094 0.293 0.000 0.993 233 V CA -0.487 61.929 62.300 0.193 0.000 0.836 233 V CB 1.343 33.239 31.823 0.122 0.000 1.055 233 V HN 0.889 nan 8.190 nan 0.000 0.452 234 G N 2.444 111.360 108.800 0.193 0.000 2.522 234 G HA2 0.576 4.536 3.960 0.001 0.000 0.318 234 G HA3 0.576 4.536 3.960 0.001 0.000 0.318 234 G C 0.006 174.836 174.900 -0.117 0.000 1.192 234 G CA -0.221 44.857 45.100 -0.036 0.000 0.988 234 G HN 0.691 nan 8.290 nan 0.000 0.480 235 S N 1.988 117.599 115.700 -0.148 0.000 2.654 235 S HA 0.846 5.317 4.470 0.001 0.000 0.283 235 S C 1.150 175.663 174.600 -0.146 0.000 1.180 235 S CA 0.249 58.361 58.200 -0.146 0.000 1.021 235 S CB 1.600 64.717 63.200 -0.138 0.000 1.018 235 S HN 2.176 nan 8.310 nan 0.000 0.532 236 G N 1.942 110.677 108.800 -0.109 0.000 2.611 236 G HA2 -0.338 3.622 3.960 0.001 0.000 0.301 236 G HA3 -0.338 3.622 3.960 0.001 0.000 0.301 236 G C 0.529 175.387 174.900 -0.069 0.000 1.233 236 G CA 0.587 45.640 45.100 -0.079 0.000 0.993 236 G HN 0.840 nan 8.290 nan 0.000 0.553 237 E N 1.167 121.325 120.200 -0.069 0.000 2.338 237 E HA -0.068 4.283 4.350 0.001 0.000 0.197 237 E C 2.241 178.772 176.600 -0.115 0.000 1.007 237 E CA 0.699 57.067 56.400 -0.053 0.000 0.849 237 E CB -0.132 29.549 29.700 -0.032 0.000 0.774 237 E HN 0.418 nan 8.360 nan 0.000 0.506 238 N N 0.357 118.903 118.700 -0.256 0.000 2.381 238 N HA -0.087 4.653 4.740 0.001 0.000 0.182 238 N C 1.779 177.078 175.510 -0.350 0.000 1.025 238 N CA 0.970 53.687 53.050 -0.555 0.000 0.888 238 N CB -0.284 37.480 38.487 -1.205 0.000 0.965 238 N HN 0.195 nan 8.380 nan 0.000 0.438 239 G N -0.100 108.613 108.800 -0.145 0.000 2.509 239 G HA2 -0.169 3.791 3.960 0.001 0.000 0.218 239 G HA3 -0.169 3.791 3.960 0.001 0.000 0.218 239 G C 1.426 176.419 174.900 0.155 0.000 1.124 239 G CA 0.387 45.504 45.100 0.027 0.000 0.776 239 G HN 0.349 nan 8.290 nan 0.000 0.547 240 C N 0.459 119.823 119.300 0.106 0.000 2.576 240 C HA 0.400 4.860 4.460 0.001 0.000 0.267 240 C C 0.948 175.955 174.990 0.029 0.000 1.364 240 C CA -0.774 58.340 59.018 0.159 0.000 1.723 240 C CB -1.063 26.762 27.740 0.140 0.000 1.778 240 C HN 0.275 nan 8.230 nan 0.000 0.572 241 I N 1.341 121.921 120.570 0.017 0.000 2.328 241 I HA 0.139 4.309 4.170 0.001 0.000 0.287 241 I C 0.936 177.085 176.117 0.053 0.000 1.012 241 I CA -0.230 61.093 61.300 0.040 0.000 1.195 241 I CB 1.101 39.176 38.000 0.125 0.000 1.350 241 I HN 0.192 nan 8.210 nan 0.000 0.464 242 L N 4.910 126.110 121.223 -0.039 0.000 2.042 242 L HA -0.168 4.173 4.340 0.001 0.000 0.210 242 L C 1.588 178.512 176.870 0.090 0.000 1.076 242 L CA 1.243 56.058 54.840 -0.040 0.000 0.749 242 L CB -0.455 41.536 42.059 -0.113 0.000 0.893 242 L HN 0.653 nan 8.230 nan 0.000 0.432 243 H N -0.599 118.497 119.070 0.043 0.000 2.508 243 H HA 0.096 4.653 4.556 0.001 0.000 0.224 243 H C -1.364 174.038 175.328 0.122 0.000 1.723 243 H CA -0.493 55.594 56.048 0.065 0.000 1.251 243 H CB -0.180 29.599 29.762 0.028 0.000 1.627 243 H HN 0.111 nan 8.280 nan 0.000 0.543 244 Y N 3.136 123.477 120.300 0.069 0.000 2.491 244 Y HA 0.187 4.737 4.550 0.000 0.000 0.334 244 Y C 0.546 176.472 175.900 0.043 0.000 0.969 244 Y CA -0.440 57.712 58.100 0.087 0.000 1.241 244 Y CB 0.804 39.310 38.460 0.077 0.000 1.105 244 Y HN 0.340 nan 8.280 nan 0.000 0.503 245 T N -0.520 113.809 114.554 -0.376 0.000 3.040 245 T HA 0.164 4.514 4.350 0.001 0.000 0.266 245 T C 0.894 175.375 174.700 -0.366 0.000 1.005 245 T CA 0.029 61.952 62.100 -0.295 0.000 0.906 245 T CB 0.172 68.939 68.868 -0.168 0.000 1.082 245 T HN 0.436 nan 8.240 nan 0.000 0.531 246 E N 2.450 122.250 120.200 -0.667 0.000 2.106 246 E HA 0.005 4.355 4.350 0.001 0.000 0.192 246 E C 0.610 177.064 176.600 -0.243 0.000 0.984 246 E CA 0.549 56.707 56.400 -0.403 0.000 0.806 246 E CB -0.381 29.114 29.700 -0.340 0.000 0.750 246 E HN 0.435 nan 8.360 nan 0.000 0.458 247 N N 1.170 119.658 118.700 -0.353 0.000 2.702 247 N HA -0.244 4.496 4.740 0.001 0.000 0.255 247 N C 0.000 175.662 175.510 0.253 0.000 0.983 247 N CA 1.295 54.416 53.050 0.119 0.000 0.768 247 N CB -1.385 37.161 38.487 0.098 0.000 0.918 247 N HN 0.667 nan 8.380 nan 0.000 0.540 248 E N -2.511 117.858 120.200 0.281 0.000 2.431 248 E HA 0.122 4.472 4.350 0.001 0.000 0.200 248 E C 0.128 176.975 176.600 0.412 0.000 0.995 248 E CA -0.117 56.487 56.400 0.341 0.000 0.915 248 E CB 0.190 30.020 29.700 0.217 0.000 0.930 248 E HN 0.284 nan 8.360 nan 0.000 0.496 249 C N 2.088 121.579 119.300 0.318 0.000 2.534 249 C HA 0.238 4.698 4.460 0.001 0.000 0.385 249 C C 0.494 175.459 174.990 -0.042 0.000 1.264 249 C CA -0.600 58.528 59.018 0.183 0.000 2.342 249 C CB 0.519 28.315 27.740 0.094 0.000 2.564 249 C HN 0.441 nan 8.230 nan 0.000 0.603 250 E N 1.743 121.739 120.200 -0.340 0.000 2.289 250 E HA 0.220 4.570 4.350 0.001 0.000 0.278 250 E C -0.636 175.737 176.600 -0.377 0.000 1.032 250 E CA -0.185 55.738 56.400 -0.796 0.000 0.854 250 E CB 0.494 29.701 29.700 -0.822 0.000 1.046 250 E HN 0.546 nan 8.360 nan 0.000 0.409 251 M N 4.363 123.766 119.600 -0.328 0.000 2.184 251 M HA 0.206 4.686 4.480 0.001 0.000 0.351 251 M C -0.022 176.175 176.300 -0.171 0.000 1.395 251 M CA 0.330 55.512 55.300 -0.197 0.000 1.117 251 M CB 0.725 33.233 32.600 -0.152 0.000 1.708 251 M HN 0.278 nan 8.290 nan 0.000 0.468 252 R N 1.079 121.497 120.500 -0.136 0.000 2.486 252 R HA 0.214 4.555 4.340 0.001 0.000 0.286 252 R C -0.221 176.025 176.300 -0.091 0.000 0.999 252 R CA -0.821 55.214 56.100 -0.109 0.000 0.993 252 R CB 0.802 31.048 30.300 -0.091 0.000 1.084 252 R HN 0.531 nan 8.270 nan 0.000 0.487 253 D N 1.222 121.576 120.400 -0.077 0.000 2.434 253 D HA 0.043 4.683 4.640 0.001 0.000 0.252 253 D C 0.817 177.081 176.300 -0.060 0.000 1.185 253 D CA 1.657 55.618 54.000 -0.065 0.000 0.886 253 D CB 0.869 41.637 40.800 -0.053 0.000 1.148 253 D HN 0.764 nan 8.370 nan 0.000 0.483 254 G N 3.833 112.594 108.800 -0.064 0.000 2.253 254 G HA2 -0.189 3.772 3.960 0.001 0.000 0.209 254 G HA3 -0.189 3.772 3.960 0.001 0.000 0.209 254 G C 0.094 174.958 174.900 -0.061 0.000 0.997 254 G CA -0.099 44.968 45.100 -0.055 0.000 0.640 254 G HN 0.574 nan 8.290 nan 0.000 0.496 255 D N 0.305 120.657 120.400 -0.079 0.000 2.332 255 D HA 0.687 5.327 4.640 0.001 0.000 0.252 255 D C 0.745 176.971 176.300 -0.123 0.000 1.050 255 D CA -0.255 53.695 54.000 -0.085 0.000 0.970 255 D CB 1.405 42.151 40.800 -0.091 0.000 1.141 255 D HN 0.245 nan 8.370 nan 0.000 0.485 256 L N 0.423 121.577 121.223 -0.115 0.000 2.375 256 L HA 0.557 4.897 4.340 0.001 0.000 0.268 256 L C -0.164 176.573 176.870 -0.222 0.000 1.058 256 L CA -0.998 53.740 54.840 -0.169 0.000 0.803 256 L CB 1.751 43.774 42.059 -0.060 0.000 1.212 256 L HN -0.002 nan 8.230 nan 0.000 0.451 257 V N 3.647 123.324 119.914 -0.396 0.000 2.531 257 V HA 0.462 4.583 4.120 0.001 0.000 0.301 257 V C -0.938 174.931 176.094 -0.375 0.000 1.034 257 V CA -0.539 61.520 62.300 -0.402 0.000 0.865 257 V CB 1.992 33.498 31.823 -0.528 0.000 0.995 257 V HN 0.574 nan 8.190 nan 0.000 0.424 258 L N 7.688 128.841 121.223 -0.117 0.000 2.296 258 L HA 0.677 5.018 4.340 0.001 0.000 0.286 258 L C -1.020 175.917 176.870 0.113 0.000 1.023 258 L CA -0.399 54.467 54.840 0.044 0.000 0.812 258 L CB 1.167 43.307 42.059 0.135 0.000 1.223 258 L HN 0.659 nan 8.230 nan 0.000 0.421 259 I N 4.768 125.468 120.570 0.216 0.000 2.410 259 I HA 0.311 4.481 4.170 0.001 0.000 0.286 259 I C -1.119 175.255 176.117 0.429 0.000 1.009 259 I CA -0.474 60.999 61.300 0.287 0.000 1.111 259 I CB 1.753 39.934 38.000 0.301 0.000 1.262 259 I HN 0.512 nan 8.210 nan 0.000 0.443 260 D N 6.486 127.115 120.400 0.381 0.000 2.440 260 D HA 0.724 5.364 4.640 0.001 0.000 0.239 260 D C -1.108 175.508 176.300 0.528 0.000 1.084 260 D CA -0.105 54.173 54.000 0.463 0.000 0.843 260 D CB 1.824 42.842 40.800 0.363 0.000 1.097 260 D HN 0.666 nan 8.370 nan 0.000 0.531 261 A N 2.158 125.350 122.820 0.620 0.000 2.574 261 A HA 0.835 5.155 4.320 0.001 0.000 0.297 261 A C -0.559 177.341 177.584 0.527 0.000 1.062 261 A CA -0.422 51.847 52.037 0.387 0.000 0.686 261 A CB 1.893 21.022 19.000 0.216 0.000 1.285 261 A HN 0.519 nan 8.150 nan 0.000 0.403 262 G N -0.451 108.405 108.800 0.094 0.000 2.733 262 G HA2 0.627 4.588 3.960 0.001 0.000 0.297 262 G HA3 0.627 4.588 3.960 0.001 0.000 0.297 262 G C -0.242 174.408 174.900 -0.417 0.000 1.422 262 G CA 0.132 45.290 45.100 0.096 0.000 0.942 262 G HN 1.956 nan 8.290 nan 0.000 0.510 263 C N 0.088 118.866 119.300 -0.870 0.000 2.347 263 C HA 0.888 5.349 4.460 0.001 0.000 0.366 263 C C 0.133 174.907 174.990 -0.360 0.000 1.241 263 C CA -0.886 57.458 59.018 -1.124 0.000 2.360 263 C CB 1.360 28.269 27.740 -1.384 0.000 2.290 263 C HN 0.831 nan 8.230 nan 0.000 0.587 264 E N 0.255 120.327 120.200 -0.214 0.000 2.182 264 E HA 0.413 4.763 4.350 0.001 0.000 0.258 264 E C -2.032 174.598 176.600 0.051 0.000 0.879 264 E CA -0.343 56.030 56.400 -0.045 0.000 0.754 264 E CB 0.942 30.613 29.700 -0.048 0.000 1.162 264 E HN 0.734 nan 8.360 nan 0.000 0.419 265 Y N 5.161 125.452 120.300 -0.014 0.000 2.328 265 Y HA 0.253 4.803 4.550 0.000 0.000 0.333 265 Y C -0.446 175.544 175.900 0.151 0.000 0.958 265 Y CA -0.998 57.127 58.100 0.042 0.000 1.167 265 Y CB 0.833 39.312 38.460 0.032 0.000 1.151 265 Y HN 0.510 nan 8.280 nan 0.000 0.470 266 K N 4.466 124.713 120.400 -0.255 0.000 3.016 266 K HA -0.231 4.089 4.320 0.001 0.000 0.262 266 K C 0.957 177.661 176.600 0.173 0.000 1.043 266 K CA 1.129 57.397 56.287 -0.031 0.000 0.761 266 K CB -1.836 30.599 32.500 -0.108 0.000 1.230 266 K HN 1.430 nan 8.250 nan 0.000 0.485 267 G N -1.632 107.090 108.800 -0.131 0.000 2.268 267 G HA2 -0.368 3.592 3.960 0.001 0.000 0.240 267 G HA3 -0.368 3.592 3.960 0.001 0.000 0.240 267 G C 0.040 174.754 174.900 -0.311 0.000 1.010 267 G CA 0.429 45.278 45.100 -0.419 0.000 0.618 267 G HN 0.278 nan 8.290 nan 0.000 0.516 268 Y N 1.450 121.766 120.300 0.027 0.000 2.320 268 Y HA 0.665 5.215 4.550 0.001 0.000 0.324 268 Y C 0.780 176.717 175.900 0.061 0.000 1.190 268 Y CA -0.133 58.009 58.100 0.070 0.000 1.215 268 Y CB 1.464 39.995 38.460 0.118 0.000 1.221 268 Y HN 0.471 nan 8.280 nan 0.000 0.486 269 A N 1.305 124.244 122.820 0.199 0.000 2.312 269 A HA 0.761 5.081 4.320 0.001 0.000 0.326 269 A C 0.198 177.885 177.584 0.172 0.000 1.172 269 A CA -0.132 51.996 52.037 0.152 0.000 0.821 269 A CB 0.354 19.444 19.000 0.150 0.000 1.166 269 A HN 0.870 nan 8.150 nan 0.000 0.493 270 G N -0.102 108.778 108.800 0.133 0.000 2.417 270 G HA2 0.537 4.498 3.960 0.001 0.000 0.334 270 G HA3 0.537 4.498 3.960 0.001 0.000 0.334 270 G C -1.438 173.620 174.900 0.263 0.000 1.150 270 G CA -0.206 44.977 45.100 0.139 0.000 0.923 270 G HN 0.648 nan 8.290 nan 0.000 0.485 271 D N 0.640 121.198 120.400 0.264 0.000 2.319 271 D HA 0.288 4.928 4.640 0.001 0.000 0.237 271 D C -0.715 175.728 176.300 0.238 0.000 1.353 271 D CA -0.322 53.890 54.000 0.354 0.000 0.992 271 D CB 0.367 41.325 40.800 0.264 0.000 1.368 271 D HN 0.256 nan 8.370 nan 0.000 0.564 272 I N 1.707 122.438 120.570 0.270 0.000 2.569 272 I HA 0.465 4.635 4.170 0.001 0.000 0.296 272 I C -0.138 176.012 176.117 0.055 0.000 1.028 272 I CA -0.599 60.724 61.300 0.039 0.000 1.082 272 I CB 2.462 40.304 38.000 -0.264 0.000 1.264 272 I HN 0.130 nan 8.210 nan 0.000 0.429 273 T N 5.289 119.860 114.554 0.029 0.000 2.848 273 T HA 0.574 4.924 4.350 0.001 0.000 0.285 273 T C -0.600 174.181 174.700 0.136 0.000 0.995 273 T CA -0.822 61.377 62.100 0.165 0.000 0.970 273 T CB 1.602 70.594 68.868 0.207 0.000 0.976 273 T HN 0.343 nan 8.240 nan 0.000 0.441 274 R N 1.625 122.293 120.500 0.280 0.000 2.621 274 R HA 0.653 4.993 4.340 0.001 0.000 0.284 274 R C -1.084 175.490 176.300 0.457 0.000 0.998 274 R CA -0.681 55.638 56.100 0.364 0.000 0.895 274 R CB 2.210 32.750 30.300 0.400 0.000 1.195 274 R HN 0.636 nan 8.270 nan 0.000 0.450 275 T N 3.613 118.453 114.554 0.477 0.000 2.841 275 T HA 0.753 5.103 4.350 0.001 0.000 0.283 275 T C -0.710 174.257 174.700 0.446 0.000 1.000 275 T CA -0.526 61.784 62.100 0.350 0.000 0.977 275 T CB 0.789 69.856 68.868 0.333 0.000 0.979 275 T HN 0.444 nan 8.240 nan 0.000 0.446 276 F N 0.639 120.628 119.950 0.065 0.000 2.686 276 F HA 0.748 5.276 4.527 0.001 0.000 0.311 276 F C -3.145 172.451 175.800 -0.340 0.000 1.128 276 F CA -2.981 54.900 58.000 -0.197 0.000 0.946 276 F CB 0.641 39.563 39.000 -0.130 0.000 1.336 276 F HN 0.194 nan 8.300 nan 0.000 0.457 277 P HA 0.115 nan 4.420 nan 0.000 0.276 277 P C 0.658 177.873 177.300 -0.141 0.000 1.243 277 P CA -0.130 62.739 63.100 -0.386 0.000 0.768 277 P CB 2.017 33.387 31.700 -0.551 0.000 0.856 278 V N 3.149 122.969 119.914 -0.156 0.000 2.380 278 V HA -0.266 3.854 4.120 0.001 0.000 0.251 278 V C 2.018 178.093 176.094 -0.032 0.000 1.063 278 V CA 2.574 64.828 62.300 -0.077 0.000 1.055 278 V CB -1.413 30.343 31.823 -0.112 0.000 0.657 278 V HN 0.662 nan 8.190 nan 0.000 0.455 279 N N 0.360 119.020 118.700 -0.066 0.000 2.370 279 N HA 0.183 4.923 4.740 0.001 0.000 0.198 279 N C 1.271 176.749 175.510 -0.053 0.000 1.156 279 N CA 0.787 53.805 53.050 -0.053 0.000 0.839 279 N CB 0.259 38.712 38.487 -0.056 0.000 0.989 279 N HN 0.450 nan 8.380 nan 0.000 0.468 280 G N -0.377 108.385 108.800 -0.063 0.000 2.162 280 G HA2 -0.334 3.626 3.960 0.001 0.000 0.260 280 G HA3 -0.334 3.626 3.960 0.001 0.000 0.260 280 G C -0.091 174.751 174.900 -0.096 0.000 0.976 280 G CA 0.636 45.692 45.100 -0.073 0.000 0.655 280 G HN 0.673 nan 8.290 nan 0.000 0.533 281 K N 0.104 120.433 120.400 -0.119 0.000 2.640 281 K HA 0.639 4.959 4.320 0.001 0.000 0.245 281 K C -0.143 176.421 176.600 -0.060 0.000 0.962 281 K CA -1.188 55.065 56.287 -0.058 0.000 0.896 281 K CB 0.044 32.534 32.500 -0.015 0.000 1.147 281 K HN -0.016 nan 8.250 nan 0.000 0.445 282 F N 2.419 122.347 119.950 -0.036 0.000 2.607 282 F HA 0.052 4.580 4.527 0.000 0.000 0.374 282 F C 1.576 177.363 175.800 -0.022 0.000 1.104 282 F CA 0.783 58.759 58.000 -0.041 0.000 1.296 282 F CB 0.517 39.472 39.000 -0.074 0.000 1.085 282 F HN 0.566 nan 8.300 nan 0.000 0.584 283 T N -0.117 114.540 114.554 0.172 0.000 2.788 283 T HA 0.157 4.507 4.350 0.001 0.000 0.280 283 T C 0.928 175.694 174.700 0.110 0.000 0.984 283 T CA -0.728 61.431 62.100 0.097 0.000 0.972 283 T CB 1.135 70.033 68.868 0.050 0.000 1.039 283 T HN 0.590 nan 8.240 nan 0.000 0.530 284 Q N 0.864 120.700 119.800 0.060 0.000 2.061 284 Q HA -0.061 4.279 4.340 0.001 0.000 0.204 284 Q C 2.388 178.436 176.000 0.079 0.000 0.984 284 Q CA 2.505 58.339 55.803 0.052 0.000 0.846 284 Q CB -1.206 27.544 28.738 0.021 0.000 0.902 284 Q HN 0.901 nan 8.270 nan 0.000 0.421 285 A N 0.119 122.974 122.820 0.058 0.000 1.877 285 A HA -0.274 4.046 4.320 0.001 0.000 0.216 285 A C 2.057 179.776 177.584 0.224 0.000 1.186 285 A CA 1.835 53.941 52.037 0.115 0.000 0.620 285 A CB -0.736 18.213 19.000 -0.085 0.000 0.822 285 A HN 0.608 nan 8.150 nan 0.000 0.443 286 Q N -1.258 118.654 119.800 0.187 0.000 2.084 286 Q HA -0.225 4.115 4.340 0.001 0.000 0.202 286 Q C 2.333 178.469 176.000 0.228 0.000 0.978 286 Q CA 1.677 57.629 55.803 0.249 0.000 0.844 286 Q CB -0.239 28.683 28.738 0.306 0.000 0.898 286 Q HN 0.539 nan 8.270 nan 0.000 0.426 287 R N 1.516 122.101 120.500 0.142 0.000 2.096 287 R HA -0.149 4.191 4.340 0.001 0.000 0.235 287 R C 1.563 177.860 176.300 -0.005 0.000 1.127 287 R CA 1.738 57.797 56.100 -0.068 0.000 0.968 287 R CB -0.160 30.100 30.300 -0.066 0.000 0.861 287 R HN 0.354 nan 8.270 nan 0.000 0.440 288 E N -0.273 119.964 120.200 0.062 0.000 2.072 288 E HA -0.134 4.216 4.350 0.001 0.000 0.191 288 E C 1.788 178.373 176.600 -0.024 0.000 0.985 288 E CA 1.114 57.537 56.400 0.037 0.000 0.801 288 E CB -0.078 29.695 29.700 0.122 0.000 0.750 288 E HN 0.258 nan 8.360 nan 0.000 0.452 289 I N 0.346 120.920 120.570 0.006 0.000 2.286 289 I HA -0.224 3.946 4.170 0.001 0.000 0.245 289 I C 2.289 178.367 176.117 -0.066 0.000 1.104 289 I CA 1.203 62.457 61.300 -0.075 0.000 1.397 289 I CB -1.108 36.874 38.000 -0.030 0.000 1.072 289 I HN 0.137 nan 8.210 nan 0.000 0.417 290 Y N 2.448 122.684 120.300 -0.107 0.000 2.114 290 Y HA -0.308 4.242 4.550 0.000 0.000 0.282 290 Y C 2.380 178.180 175.900 -0.167 0.000 1.165 290 Y CA 1.987 60.002 58.100 -0.141 0.000 1.148 290 Y CB -0.211 38.084 38.460 -0.273 0.000 0.972 290 Y HN 0.229 nan 8.280 nan 0.000 0.504 291 D N 0.088 120.463 120.400 -0.041 0.000 2.149 291 D HA -0.210 4.430 4.640 0.001 0.000 0.198 291 D C 2.259 178.460 176.300 -0.165 0.000 0.990 291 D CA 1.818 55.764 54.000 -0.089 0.000 0.839 291 D CB -0.277 40.488 40.800 -0.059 0.000 0.948 291 D HN 0.470 nan 8.370 nan 0.000 0.460 292 I N 0.431 120.892 120.570 -0.182 0.000 2.252 292 I HA -0.209 3.961 4.170 0.001 0.000 0.245 292 I C 2.437 178.399 176.117 -0.258 0.000 1.102 292 I CA 0.560 61.738 61.300 -0.204 0.000 1.385 292 I CB -0.177 37.696 38.000 -0.210 0.000 1.064 292 I HN -0.117 nan 8.210 nan 0.000 0.414 293 V N 0.771 120.493 119.914 -0.320 0.000 2.358 293 V HA -0.255 3.865 4.120 0.001 0.000 0.246 293 V C 2.396 178.276 176.094 -0.356 0.000 1.047 293 V CA 1.521 63.601 62.300 -0.368 0.000 1.035 293 V CB -0.558 31.015 31.823 -0.416 0.000 0.658 293 V HN 0.353 nan 8.190 nan 0.000 0.452 294 L N 0.381 121.352 121.223 -0.420 0.000 2.046 294 L HA -0.155 4.185 4.340 0.001 0.000 0.208 294 L C 2.420 179.181 176.870 -0.182 0.000 1.077 294 L CA 2.182 56.839 54.840 -0.306 0.000 0.747 294 L CB -0.715 41.186 42.059 -0.263 0.000 0.896 294 L HN 0.437 nan 8.230 nan 0.000 0.432 295 E N -1.026 119.070 120.200 -0.173 0.000 2.077 295 E HA -0.207 4.144 4.350 0.001 0.000 0.193 295 E C 2.061 178.575 176.600 -0.142 0.000 0.989 295 E CA 1.395 57.715 56.400 -0.133 0.000 0.800 295 E CB -0.011 29.612 29.700 -0.128 0.000 0.746 295 E HN 0.599 nan 8.360 nan 0.000 0.452 296 S N 0.834 116.424 115.700 -0.184 0.000 2.359 296 S HA -0.188 4.282 4.470 0.001 0.000 0.224 296 S C 1.851 176.362 174.600 -0.148 0.000 1.035 296 S CA 1.165 59.249 58.200 -0.193 0.000 1.018 296 S CB -0.360 62.676 63.200 -0.274 0.000 0.876 296 S HN 0.267 nan 8.310 nan 0.000 0.448 297 L N 1.998 123.139 121.223 -0.136 0.000 2.017 297 L HA -0.058 4.282 4.340 0.001 0.000 0.208 297 L C 2.076 178.917 176.870 -0.048 0.000 1.073 297 L CA 1.824 56.618 54.840 -0.076 0.000 0.745 297 L CB -0.859 41.156 42.059 -0.075 0.000 0.894 297 L HN 0.255 nan 8.230 nan 0.000 0.432 298 E N -1.141 119.023 120.200 -0.060 0.000 2.077 298 E HA -0.203 4.147 4.350 0.001 0.000 0.193 298 E C 1.920 178.494 176.600 -0.043 0.000 0.989 298 E CA 1.787 58.164 56.400 -0.039 0.000 0.800 298 E CB -0.240 29.435 29.700 -0.041 0.000 0.746 298 E HN 0.554 nan 8.360 nan 0.000 0.452 299 T N 0.495 115.008 114.554 -0.070 0.000 2.708 299 T HA -0.119 4.232 4.350 0.001 0.000 0.266 299 T C 2.153 176.795 174.700 -0.097 0.000 1.037 299 T CA 1.319 63.370 62.100 -0.082 0.000 1.146 299 T CB -0.185 68.622 68.868 -0.102 0.000 0.865 299 T HN 0.048 nan 8.240 nan 0.000 0.435 300 S N 1.513 117.150 115.700 -0.106 0.000 2.370 300 S HA 0.013 4.483 4.470 0.001 0.000 0.226 300 S C 2.038 176.623 174.600 -0.024 0.000 1.033 300 S CA 0.899 59.007 58.200 -0.153 0.000 1.011 300 S CB -0.522 62.637 63.200 -0.067 0.000 0.852 300 S HN 0.355 nan 8.310 nan 0.000 0.457 301 L N 0.909 122.164 121.223 0.053 0.000 2.191 301 L HA -0.089 4.251 4.340 0.001 0.000 0.212 301 L C 2.666 179.575 176.870 0.066 0.000 1.103 301 L CA 1.183 56.083 54.840 0.101 0.000 0.769 301 L CB -0.366 41.728 42.059 0.059 0.000 0.908 301 L HN 0.272 nan 8.230 nan 0.000 0.438 302 R N 0.381 120.888 120.500 0.011 0.000 2.093 302 R HA -0.063 4.277 4.340 0.001 0.000 0.224 302 R C 2.211 178.506 176.300 -0.009 0.000 1.101 302 R CA 0.839 56.939 56.100 0.000 0.000 0.979 302 R CB 0.022 30.310 30.300 -0.020 0.000 0.877 302 R HN 0.289 nan 8.270 nan 0.000 0.441 303 L N -0.167 121.020 121.223 -0.060 0.000 2.095 303 L HA -0.001 4.339 4.340 0.001 0.000 0.204 303 L C 0.407 177.249 176.870 -0.048 0.000 1.080 303 L CA 0.151 54.932 54.840 -0.099 0.000 0.759 303 L CB -0.360 41.572 42.059 -0.211 0.000 0.914 303 L HN 0.082 nan 8.230 nan 0.000 0.439 304 Y N 2.416 122.721 120.300 0.008 0.000 2.802 304 Y HA 0.026 4.576 4.550 0.001 0.000 0.333 304 Y C 0.738 176.654 175.900 0.026 0.000 1.244 304 Y CA 0.264 58.376 58.100 0.020 0.000 1.558 304 Y CB -0.277 38.195 38.460 0.021 0.000 1.233 304 Y HN 0.246 nan 8.280 nan 0.000 0.547 305 R N 2.661 123.301 120.500 0.233 0.000 2.741 305 R HA 0.507 4.847 4.340 0.001 0.000 0.276 305 R C -3.575 172.804 176.300 0.132 0.000 1.028 305 R CA -2.273 53.911 56.100 0.140 0.000 0.865 305 R CB 0.814 31.170 30.300 0.092 0.000 1.268 305 R HN 0.143 nan 8.270 nan 0.000 0.475 306 P HA 0.095 nan 4.420 nan 0.000 0.266 306 P C 0.502 177.857 177.300 0.092 0.000 1.195 306 P CA 1.802 64.962 63.100 0.100 0.000 0.768 306 P CB 0.789 32.539 31.700 0.083 0.000 0.838 307 G N 0.760 109.619 108.800 0.099 0.000 2.279 307 G HA2 -0.212 3.749 3.960 0.001 0.000 0.223 307 G HA3 -0.212 3.749 3.960 0.001 0.000 0.223 307 G C 0.569 175.520 174.900 0.084 0.000 1.015 307 G CA 0.369 45.519 45.100 0.082 0.000 0.621 307 G HN 0.774 nan 8.290 nan 0.000 0.506 308 T N -0.017 114.598 114.554 0.101 0.000 2.902 308 T HA 0.760 5.110 4.350 0.001 0.000 0.287 308 T C 0.448 175.232 174.700 0.139 0.000 1.048 308 T CA 1.123 63.279 62.100 0.092 0.000 0.941 308 T CB 1.296 70.200 68.868 0.060 0.000 1.432 308 T HN 1.641 nan 8.240 nan 0.000 0.586 309 S N -0.889 114.892 115.700 0.135 0.000 2.638 309 S HA 0.459 4.929 4.470 0.001 0.000 0.274 309 S C 1.052 175.774 174.600 0.202 0.000 1.157 309 S CA -0.840 57.468 58.200 0.181 0.000 0.826 309 S CB 0.479 63.759 63.200 0.134 0.000 1.139 309 S HN 0.595 nan 8.310 nan 0.000 0.474 310 I N 0.638 121.345 120.570 0.228 0.000 2.226 310 I HA -0.133 4.037 4.170 0.001 0.000 0.245 310 I C 2.375 178.548 176.117 0.093 0.000 1.100 310 I CA 1.185 62.616 61.300 0.218 0.000 1.374 310 I CB -0.358 37.691 38.000 0.082 0.000 1.057 310 I HN 0.643 nan 8.210 nan 0.000 0.413 311 L N 1.076 122.337 121.223 0.063 0.000 2.017 311 L HA -0.239 4.101 4.340 0.001 0.000 0.208 311 L C 2.433 179.309 176.870 0.010 0.000 1.073 311 L CA 2.019 56.876 54.840 0.029 0.000 0.745 311 L CB -0.728 41.350 42.059 0.032 0.000 0.894 311 L HN 0.249 nan 8.230 nan 0.000 0.432 312 E N -0.937 119.269 120.200 0.010 0.000 2.038 312 E HA -0.204 4.147 4.350 0.001 0.000 0.195 312 E C 2.037 178.594 176.600 -0.072 0.000 1.000 312 E CA 2.003 58.391 56.400 -0.020 0.000 0.803 312 E CB -0.120 29.575 29.700 -0.008 0.000 0.750 312 E HN 0.382 nan 8.360 nan 0.000 0.448 313 V N 0.751 120.588 119.914 -0.127 0.000 2.407 313 V HA -0.256 3.864 4.120 0.001 0.000 0.248 313 V C 2.384 178.385 176.094 -0.154 0.000 1.055 313 V CA 2.138 64.289 62.300 -0.249 0.000 1.049 313 V CB -0.807 30.642 31.823 -0.623 0.000 0.662 313 V HN 0.396 nan 8.190 nan 0.000 0.455 314 T N 0.487 115.000 114.554 -0.067 0.000 2.759 314 T HA -0.156 4.194 4.350 0.001 0.000 0.269 314 T C 1.927 176.599 174.700 -0.047 0.000 1.042 314 T CA 1.592 63.684 62.100 -0.012 0.000 1.140 314 T CB -0.646 68.243 68.868 0.035 0.000 0.864 314 T HN 0.645 nan 8.240 nan 0.000 0.455 315 G N 1.560 110.327 108.800 -0.055 0.000 2.440 315 G HA2 -0.221 3.739 3.960 0.001 0.000 0.218 315 G HA3 -0.221 3.739 3.960 0.001 0.000 0.218 315 G C 1.567 176.413 174.900 -0.091 0.000 1.154 315 G CA 0.617 45.678 45.100 -0.065 0.000 0.767 315 G HN 0.378 nan 8.290 nan 0.000 0.552 316 E N 0.397 120.536 120.200 -0.101 0.000 2.077 316 E HA -0.079 4.272 4.350 0.001 0.000 0.193 316 E C 2.872 179.393 176.600 -0.132 0.000 0.989 316 E CA 0.719 57.052 56.400 -0.112 0.000 0.800 316 E CB -0.691 28.935 29.700 -0.124 0.000 0.746 316 E HN 0.314 nan 8.360 nan 0.000 0.452 317 V N 1.120 120.947 119.914 -0.145 0.000 2.407 317 V HA -0.198 3.923 4.120 0.001 0.000 0.248 317 V C 2.549 178.515 176.094 -0.213 0.000 1.055 317 V CA 1.157 63.347 62.300 -0.183 0.000 1.049 317 V CB -0.437 31.274 31.823 -0.186 0.000 0.662 317 V HN 0.058 nan 8.190 nan 0.000 0.455 318 V N 0.136 119.926 119.914 -0.206 0.000 2.343 318 V HA -0.281 3.839 4.120 0.001 0.000 0.247 318 V C 2.556 178.522 176.094 -0.214 0.000 1.051 318 V CA 2.461 64.572 62.300 -0.314 0.000 1.036 318 V CB -0.786 30.795 31.823 -0.404 0.000 0.654 318 V HN 0.540 nan 8.190 nan 0.000 0.451 319 R N 0.137 120.547 120.500 -0.150 0.000 2.073 319 R HA -0.144 4.197 4.340 0.001 0.000 0.234 319 R C 2.285 178.520 176.300 -0.107 0.000 1.134 319 R CA 1.936 57.973 56.100 -0.105 0.000 0.952 319 R CB -0.358 29.891 30.300 -0.085 0.000 0.850 319 R HN 0.458 nan 8.270 nan 0.000 0.433 320 I N 0.623 121.116 120.570 -0.128 0.000 2.208 320 I HA -0.340 3.830 4.170 0.001 0.000 0.245 320 I C 2.477 178.508 176.117 -0.144 0.000 1.097 320 I CA 1.586 62.807 61.300 -0.132 0.000 1.363 320 I CB -0.200 37.710 38.000 -0.151 0.000 1.051 320 I HN 0.324 nan 8.210 nan 0.000 0.413 321 M N -0.332 119.167 119.600 -0.169 0.000 2.132 321 M HA -0.155 4.325 4.480 0.001 0.000 0.263 321 M C 2.405 178.648 176.300 -0.095 0.000 1.065 321 M CA 1.434 56.639 55.300 -0.158 0.000 1.122 321 M CB -0.404 32.089 32.600 -0.178 0.000 1.365 321 M HN 0.077 nan 8.290 nan 0.000 0.411 322 V N -0.176 119.700 119.914 -0.062 0.000 2.295 322 V HA -0.236 3.884 4.120 0.001 0.000 0.246 322 V C 2.386 178.453 176.094 -0.045 0.000 1.049 322 V CA 2.041 64.332 62.300 -0.014 0.000 1.024 322 V CB -0.746 31.083 31.823 0.010 0.000 0.648 322 V HN 0.424 nan 8.190 nan 0.000 0.447 323 S N 0.682 116.345 115.700 -0.062 0.000 2.353 323 S HA -0.170 4.301 4.470 0.001 0.000 0.222 323 S C 2.105 176.657 174.600 -0.080 0.000 1.035 323 S CA 1.554 59.717 58.200 -0.063 0.000 1.025 323 S CB -0.886 62.274 63.200 -0.066 0.000 0.902 323 S HN 0.693 nan 8.310 nan 0.000 0.440 324 G N 1.638 110.375 108.800 -0.105 0.000 2.440 324 G HA2 -0.143 3.817 3.960 0.001 0.000 0.218 324 G HA3 -0.143 3.817 3.960 0.001 0.000 0.218 324 G C 1.334 176.138 174.900 -0.159 0.000 1.154 324 G CA 0.670 45.692 45.100 -0.129 0.000 0.767 324 G HN 0.436 nan 8.290 nan 0.000 0.552 325 L N 0.209 121.332 121.223 -0.168 0.000 2.141 325 L HA -0.063 4.277 4.340 0.001 0.000 0.209 325 L C 2.955 179.731 176.870 -0.157 0.000 1.094 325 L CA 0.308 55.017 54.840 -0.219 0.000 0.763 325 L CB -0.400 41.535 42.059 -0.206 0.000 0.908 325 L HN 0.098 nan 8.230 nan 0.000 0.437 326 V N 0.001 119.859 119.914 -0.092 0.000 2.358 326 V HA -0.259 3.861 4.120 0.001 0.000 0.246 326 V C 2.426 178.485 176.094 -0.058 0.000 1.047 326 V CA 1.659 63.925 62.300 -0.057 0.000 1.035 326 V CB -0.481 31.323 31.823 -0.033 0.000 0.658 326 V HN 0.420 nan 8.190 nan 0.000 0.452 327 K N 0.070 120.430 120.400 -0.067 0.000 2.103 327 K HA -0.121 4.200 4.320 0.001 0.000 0.207 327 K C 1.877 178.448 176.600 -0.048 0.000 1.048 327 K CA 1.355 57.610 56.287 -0.053 0.000 0.930 327 K CB -0.265 32.200 32.500 -0.058 0.000 0.716 327 K HN 0.386 nan 8.250 nan 0.000 0.444 328 L N -0.592 120.576 121.223 -0.092 0.000 2.558 328 L HA 0.097 4.437 4.340 0.001 0.000 0.225 328 L C 1.214 178.072 176.870 -0.020 0.000 1.128 328 L CA 0.437 55.230 54.840 -0.079 0.000 0.868 328 L CB -0.106 41.774 42.059 -0.299 0.000 1.006 328 L HN 0.485 nan 8.230 nan 0.000 0.454 329 G N 0.285 109.059 108.800 -0.043 0.000 2.157 329 G HA2 -0.289 3.671 3.960 0.001 0.000 0.248 329 G HA3 -0.289 3.671 3.960 0.001 0.000 0.248 329 G C 0.799 175.685 174.900 -0.024 0.000 0.979 329 G CA 0.386 45.483 45.100 -0.006 0.000 0.650 329 G HN 0.352 nan 8.290 nan 0.000 0.529 330 I N -0.357 120.138 120.570 -0.125 0.000 2.439 330 I HA 0.186 4.357 4.170 0.001 0.000 0.251 330 I C 1.313 177.381 176.117 -0.083 0.000 1.139 330 I CA 0.989 62.179 61.300 -0.183 0.000 1.438 330 I CB -0.038 37.677 38.000 -0.475 0.000 1.085 330 I HN 0.131 nan 8.210 nan 0.000 0.427 331 L N 0.973 122.161 121.223 -0.057 0.000 2.362 331 L HA 0.467 4.807 4.340 0.001 0.000 0.271 331 L C -0.692 176.187 176.870 0.015 0.000 1.002 331 L CA -0.707 54.148 54.840 0.026 0.000 0.818 331 L CB 2.019 44.104 42.059 0.043 0.000 1.298 331 L HN -0.047 nan 8.230 nan 0.000 0.420 332 K N 2.093 122.512 120.400 0.033 0.000 2.397 332 K HA 0.831 5.151 4.320 0.001 0.000 0.253 332 K C -0.366 176.247 176.600 0.023 0.000 0.932 332 K CA -0.656 55.644 56.287 0.022 0.000 0.795 332 K CB 2.676 35.191 32.500 0.024 0.000 1.159 332 K HN 0.820 nan 8.250 nan 0.000 0.424 333 G N 1.811 110.620 108.800 0.015 0.000 2.346 333 G HA2 -0.115 3.845 3.960 0.001 0.000 0.294 333 G HA3 -0.115 3.845 3.960 0.001 0.000 0.294 333 G C -1.895 173.011 174.900 0.010 0.000 1.294 333 G CA -0.997 44.111 45.100 0.014 0.000 0.962 333 G HN 0.629 nan 8.290 nan 0.000 0.508 334 D N -0.623 119.783 120.400 0.010 0.000 2.351 334 D HA 0.465 5.106 4.640 0.001 0.000 0.251 334 D C 1.770 178.075 176.300 0.008 0.000 1.137 334 D CA 0.272 54.276 54.000 0.006 0.000 0.879 334 D CB 1.577 42.380 40.800 0.005 0.000 1.181 334 D HN 0.418 nan 8.370 nan 0.000 0.448 335 V N 3.857 123.772 119.914 0.002 0.000 2.231 335 V HA -0.288 3.832 4.120 0.001 0.000 0.248 335 V C 1.748 177.845 176.094 0.006 0.000 1.054 335 V CA 2.096 64.397 62.300 0.001 0.000 1.015 335 V CB -0.495 31.321 31.823 -0.012 0.000 0.638 335 V HN 0.717 nan 8.190 nan 0.000 0.444 336 D N -0.571 119.830 120.400 0.002 0.000 2.182 336 D HA -0.176 4.464 4.640 0.001 0.000 0.201 336 D C 2.165 178.472 176.300 0.012 0.000 0.986 336 D CA 1.412 55.414 54.000 0.004 0.000 0.847 336 D CB -0.061 40.739 40.800 -0.001 0.000 0.942 336 D HN 0.641 nan 8.370 nan 0.000 0.467 337 E N 0.349 120.557 120.200 0.014 0.000 2.076 337 E HA -0.032 4.319 4.350 0.001 0.000 0.190 337 E C 2.503 179.119 176.600 0.028 0.000 0.979 337 E CA 0.167 56.577 56.400 0.017 0.000 0.807 337 E CB -0.018 29.691 29.700 0.014 0.000 0.761 337 E HN 0.233 nan 8.360 nan 0.000 0.454 338 L N 1.018 122.261 121.223 0.033 0.000 2.042 338 L HA -0.212 4.128 4.340 0.001 0.000 0.210 338 L C 2.490 179.407 176.870 0.078 0.000 1.076 338 L CA 1.041 55.913 54.840 0.053 0.000 0.749 338 L CB -0.388 41.705 42.059 0.056 0.000 0.893 338 L HN 0.165 nan 8.230 nan 0.000 0.432 339 I N -0.188 120.421 120.570 0.066 0.000 2.179 339 I HA -0.288 3.882 4.170 0.001 0.000 0.242 339 I C 2.787 178.950 176.117 0.077 0.000 1.088 339 I CA 1.174 62.522 61.300 0.079 0.000 1.357 339 I CB -0.496 37.519 38.000 0.026 0.000 1.051 339 I HN 0.207 nan 8.210 nan 0.000 0.409 340 A N 0.752 123.599 122.820 0.045 0.000 2.032 340 A HA -0.238 4.083 4.320 0.001 0.000 0.221 340 A C 2.035 179.641 177.584 0.036 0.000 1.165 340 A CA 1.852 53.910 52.037 0.034 0.000 0.645 340 A CB -0.620 18.392 19.000 0.021 0.000 0.807 340 A HN 0.718 nan 8.150 nan 0.000 0.453 341 Q N -1.403 118.421 119.800 0.039 0.000 2.188 341 Q HA 0.163 4.503 4.340 0.001 0.000 0.212 341 Q C -0.497 175.512 176.000 0.015 0.000 0.846 341 Q CA -0.178 55.638 55.803 0.021 0.000 0.989 341 Q CB -0.140 28.606 28.738 0.012 0.000 1.114 341 Q HN 0.477 nan 8.270 nan 0.000 0.488 342 N N 0.862 119.601 118.700 0.065 0.000 2.714 342 N HA -0.229 4.512 4.740 0.001 0.000 0.252 342 N C 0.417 175.864 175.510 -0.104 0.000 1.014 342 N CA 0.868 53.937 53.050 0.032 0.000 0.735 342 N CB -0.885 37.547 38.487 -0.091 0.000 0.924 342 N HN 0.609 nan 8.380 nan 0.000 0.540 343 A N -0.440 122.409 122.820 0.048 0.000 2.248 343 A HA -0.130 4.190 4.320 0.001 0.000 0.210 343 A C 1.697 179.333 177.584 0.087 0.000 1.174 343 A CA 1.594 53.654 52.037 0.038 0.000 0.750 343 A CB -0.581 18.473 19.000 0.090 0.000 0.780 343 A HN 0.795 nan 8.150 nan 0.000 0.478 344 H N -2.602 116.528 119.070 0.102 0.000 2.497 344 H HA 0.193 4.749 4.556 0.001 0.000 0.282 344 H C 1.906 177.318 175.328 0.139 0.000 1.003 344 H CA 0.628 56.787 56.048 0.185 0.000 1.307 344 H CB -0.215 29.647 29.762 0.167 0.000 1.437 344 H HN 0.337 nan 8.280 nan 0.000 0.544 345 R N 0.623 120.730 120.500 -0.654 0.000 2.154 345 R HA -0.094 4.246 4.340 0.001 0.000 0.248 345 R C -0.569 175.570 176.300 -0.269 0.000 1.155 345 R CA 1.791 57.633 56.100 -0.431 0.000 0.979 345 R CB -1.129 28.904 30.300 -0.447 0.000 0.869 345 R HN 0.465 nan 8.270 nan 0.000 0.452 346 P HA -0.106 nan 4.420 nan 0.000 0.225 346 P C 0.374 177.304 177.300 -0.617 0.000 1.148 346 P CA 1.232 63.977 63.100 -0.592 0.000 0.779 346 P CB 0.128 31.291 31.700 -0.895 0.000 0.780 347 F N -3.634 116.378 119.950 0.103 0.000 2.712 347 F HA 0.314 4.842 4.527 0.000 0.000 0.297 347 F C 0.762 176.753 175.800 0.318 0.000 1.114 347 F CA -0.112 57.993 58.000 0.175 0.000 1.305 347 F CB 0.041 39.100 39.000 0.097 0.000 1.086 347 F HN -0.253 nan 8.300 nan 0.000 0.599 348 F N 2.904 122.980 119.950 0.209 0.000 2.691 348 F HA 0.358 4.885 4.527 0.000 0.000 0.371 348 F C 0.510 176.329 175.800 0.032 0.000 1.159 348 F CA -1.686 56.392 58.000 0.130 0.000 1.174 348 F CB 0.873 39.939 39.000 0.110 0.000 1.419 348 F HN -0.045 nan 8.300 nan 0.000 0.514 349 M N 3.013 122.506 119.600 -0.178 0.000 2.383 349 M HA 0.282 4.762 4.480 0.001 0.000 0.247 349 M C -1.040 175.066 176.300 -0.323 0.000 1.117 349 M CA 0.465 55.606 55.300 -0.265 0.000 0.995 349 M CB -1.723 30.805 32.600 -0.120 0.000 1.480 349 M HN 0.564 nan 8.290 nan 0.000 0.485 350 H N -1.501 117.281 119.070 -0.480 0.000 2.824 350 H HA 0.855 5.412 4.556 0.001 0.000 0.345 350 H C 0.118 175.156 175.328 -0.485 0.000 1.252 350 H CA -0.707 55.127 56.048 -0.357 0.000 1.246 350 H CB 0.027 29.700 29.762 -0.149 0.000 1.908 350 H HN 0.072 nan 8.280 nan 0.000 0.601 351 G N -0.382 108.401 108.800 -0.029 0.000 2.569 351 G HA2 0.212 4.172 3.960 0.001 0.000 0.249 351 G HA3 0.212 4.172 3.960 0.001 0.000 0.249 351 G C 0.272 175.300 174.900 0.213 0.000 1.216 351 G CA -0.264 44.817 45.100 -0.032 0.000 0.845 351 G HN 0.662 nan 8.290 nan 0.000 0.568 352 L N 0.052 121.399 121.223 0.207 0.000 2.209 352 L HA 0.288 4.628 4.340 0.001 0.000 0.207 352 L C 1.030 178.002 176.870 0.170 0.000 1.094 352 L CA 1.207 56.232 54.840 0.309 0.000 0.790 352 L CB -0.012 42.201 42.059 0.257 0.000 0.932 352 L HN 0.426 nan 8.230 nan 0.000 0.447 353 S N -1.882 113.847 115.700 0.048 0.000 2.556 353 S HA 0.628 5.098 4.470 0.001 0.000 0.271 353 S C -1.547 172.959 174.600 -0.158 0.000 1.135 353 S CA -0.537 57.607 58.200 -0.094 0.000 0.858 353 S CB 1.577 64.712 63.200 -0.110 0.000 1.114 353 S HN 0.505 nan 8.310 nan 0.000 0.468 354 H N -1.961 117.035 119.070 -0.124 0.000 2.961 354 H HA 0.646 5.203 4.556 0.000 0.000 0.371 354 H C -1.549 173.781 175.328 0.003 0.000 1.190 354 H CA -1.146 54.837 56.048 -0.108 0.000 1.138 354 H CB 0.167 29.858 29.762 -0.118 0.000 1.816 354 H HN 0.671 nan 8.280 nan 0.000 0.551 355 W N 1.558 123.064 121.300 0.344 0.000 2.123 355 W HA 0.325 4.986 4.660 0.000 0.000 0.351 355 W C -0.467 176.186 176.519 0.223 0.000 1.292 355 W CA -0.578 56.826 57.345 0.098 0.000 1.263 355 W CB 0.437 29.840 29.460 -0.096 0.000 1.165 355 W HN 0.498 nan 8.180 nan 0.000 0.590 356 L N 1.827 123.274 121.223 0.373 0.000 2.422 356 L HA 0.879 5.220 4.340 0.001 0.000 0.264 356 L C 0.039 177.034 176.870 0.208 0.000 0.984 356 L CA -0.032 54.978 54.840 0.283 0.000 0.819 356 L CB 1.787 43.973 42.059 0.212 0.000 1.330 356 L HN 0.622 nan 8.230 nan 0.000 0.410 357 G N 2.664 111.581 108.800 0.196 0.000 2.586 357 G HA2 0.083 4.043 3.960 0.001 0.000 0.105 357 G HA3 0.083 4.043 3.960 0.001 0.000 0.105 357 G C 0.078 175.029 174.900 0.085 0.000 1.129 357 G CA -0.173 45.059 45.100 0.219 0.000 1.127 357 G HN 0.544 nan 8.290 nan 0.000 0.532 358 L N 1.051 122.202 121.223 -0.120 0.000 2.450 358 L HA 0.186 4.526 4.340 0.001 0.000 0.224 358 L C -0.035 176.747 176.870 -0.148 0.000 1.149 358 L CA 1.027 55.686 54.840 -0.301 0.000 0.816 358 L CB -0.178 41.723 42.059 -0.264 0.000 0.932 358 L HN 0.218 nan 8.230 nan 0.000 0.449 359 D N -1.829 118.536 120.400 -0.059 0.000 2.780 359 D HA 0.083 4.723 4.640 0.001 0.000 0.242 359 D C 0.518 176.831 176.300 0.021 0.000 1.135 359 D CA -0.191 53.787 54.000 -0.037 0.000 0.859 359 D CB 3.265 44.039 40.800 -0.042 0.000 1.530 359 D HN -0.317 nan 8.370 nan 0.000 0.493 360 V N 2.589 122.494 119.914 -0.015 0.000 2.332 360 V HA -0.208 3.912 4.120 0.001 0.000 0.248 360 V C 0.459 176.568 176.094 0.026 0.000 1.055 360 V CA 1.813 64.110 62.300 -0.004 0.000 1.038 360 V CB -0.368 31.358 31.823 -0.162 0.000 0.651 360 V HN 0.505 nan 8.190 nan 0.000 0.450 361 H N 0.399 119.384 119.070 -0.142 0.000 2.638 361 H HA 0.278 4.834 4.556 0.001 0.000 0.242 361 H C -0.419 174.923 175.328 0.023 0.000 1.610 361 H CA -0.796 55.142 56.048 -0.184 0.000 1.275 361 H CB 0.232 29.846 29.762 -0.247 0.000 1.583 361 H HN 0.406 nan 8.280 nan 0.000 0.556 362 D N 1.742 122.293 120.400 0.251 0.000 2.378 362 D HA -0.027 4.613 4.640 0.001 0.000 0.238 362 D C 0.420 176.804 176.300 0.139 0.000 1.180 362 D CA -0.275 53.820 54.000 0.159 0.000 0.895 362 D CB 1.053 41.953 40.800 0.167 0.000 1.192 362 D HN 0.254 nan 8.370 nan 0.000 0.438 363 V N -0.786 119.088 119.914 -0.067 0.000 3.319 363 V HA 0.793 4.913 4.120 0.001 0.000 0.303 363 V C 0.623 176.628 176.094 -0.147 0.000 1.094 363 V CA 0.005 62.205 62.300 -0.167 0.000 1.106 363 V CB 0.433 31.874 31.823 -0.636 0.000 1.099 363 V HN 0.863 nan 8.190 nan 0.000 0.476 364 G N 0.383 109.131 108.800 -0.086 0.000 2.535 364 G HA2 0.181 4.141 3.960 0.001 0.000 0.662 364 G HA3 0.181 4.141 3.960 0.001 0.000 0.662 364 G C -1.127 173.754 174.900 -0.031 0.000 1.417 364 G CA -0.467 44.495 45.100 -0.230 0.000 0.866 364 G HN 1.363 nan 8.290 nan 0.000 0.647 365 V N 2.832 122.757 119.914 0.019 0.000 2.521 365 V HA 0.220 4.340 4.120 0.001 0.000 0.286 365 V C 1.133 177.388 176.094 0.268 0.000 1.034 365 V CA 0.387 62.780 62.300 0.155 0.000 1.045 365 V CB 0.745 32.646 31.823 0.130 0.000 0.974 365 V HN 0.695 nan 8.190 nan 0.000 0.480 366 Y N 3.055 123.572 120.300 0.361 0.000 2.490 366 Y HA 0.380 4.931 4.550 0.001 0.000 0.285 366 Y C 1.569 177.582 175.900 0.189 0.000 1.117 366 Y CA 0.917 59.198 58.100 0.301 0.000 1.262 366 Y CB -0.150 38.351 38.460 0.068 0.000 1.043 366 Y HN 0.909 nan 8.280 nan 0.000 0.553 367 G N 0.780 109.757 108.800 0.295 0.000 2.730 367 G HA2 -0.265 3.695 3.960 0.001 0.000 0.686 367 G HA3 -0.265 3.695 3.960 0.001 0.000 0.686 367 G C -0.647 174.342 174.900 0.149 0.000 1.343 367 G CA -0.565 44.650 45.100 0.192 0.000 0.826 367 G HN 0.237 nan 8.290 nan 0.000 0.582 368 Q N 0.464 120.325 119.800 0.101 0.000 2.286 368 Q HA 0.292 4.632 4.340 0.001 0.000 0.290 368 Q C 0.605 176.635 176.000 0.051 0.000 1.049 368 Q CA 0.950 56.792 55.803 0.065 0.000 0.923 368 Q CB 0.064 28.832 28.738 0.050 0.000 1.183 368 Q HN 0.651 nan 8.270 nan 0.000 0.383 369 D N 3.690 124.101 120.400 0.019 0.000 2.882 369 D HA -0.245 4.396 4.640 0.001 0.000 0.229 369 D C -0.588 175.708 176.300 -0.007 0.000 1.167 369 D CA 1.364 55.358 54.000 -0.010 0.000 0.759 369 D CB -0.629 40.171 40.800 -0.001 0.000 1.088 369 D HN 0.889 nan 8.370 nan 0.000 0.425 370 R N -1.993 118.520 120.500 0.022 0.000 3.422 370 R HA -0.222 4.119 4.340 0.001 0.000 0.267 370 R C 1.074 177.434 176.300 0.099 0.000 1.074 370 R CA 1.002 57.139 56.100 0.063 0.000 0.718 370 R CB -2.736 27.508 30.300 -0.093 0.000 1.157 370 R HN 0.452 nan 8.270 nan 0.000 0.440 371 S N -0.757 115.010 115.700 0.111 0.000 2.575 371 S HA 0.000 4.470 4.470 0.001 0.000 0.215 371 S C 0.889 175.572 174.600 0.138 0.000 0.966 371 S CA -0.348 57.915 58.200 0.105 0.000 0.911 371 S CB 0.293 63.540 63.200 0.078 0.000 0.780 371 S HN 0.447 nan 8.310 nan 0.000 0.514 372 R N 1.682 122.296 120.500 0.189 0.000 2.538 372 R HA 0.089 4.430 4.340 0.001 0.000 0.282 372 R C -0.235 176.187 176.300 0.204 0.000 1.009 372 R CA -0.260 55.964 56.100 0.206 0.000 1.063 372 R CB 0.113 30.579 30.300 0.276 0.000 0.945 372 R HN 0.215 nan 8.270 nan 0.000 0.414 373 I N 6.292 126.961 120.570 0.165 0.000 2.598 373 I HA -0.035 4.136 4.170 0.001 0.000 0.284 373 I C 0.644 176.865 176.117 0.174 0.000 1.140 373 I CA 0.188 61.580 61.300 0.153 0.000 1.420 373 I CB 0.041 38.113 38.000 0.121 0.000 1.387 373 I HN 0.593 nan 8.210 nan 0.000 0.553 374 L N 7.229 128.560 121.223 0.181 0.000 2.397 374 L HA 0.245 4.585 4.340 0.001 0.000 0.271 374 L C 0.547 177.499 176.870 0.136 0.000 1.148 374 L CA -0.019 54.923 54.840 0.171 0.000 0.825 374 L CB 0.403 42.578 42.059 0.193 0.000 1.117 374 L HN 0.596 nan 8.230 nan 0.000 0.456 375 E N 2.648 122.917 120.200 0.114 0.000 2.416 375 E HA 0.407 4.757 4.350 0.001 0.000 0.273 375 E C -2.546 174.133 176.600 0.132 0.000 0.935 375 E CA -2.168 54.330 56.400 0.163 0.000 0.784 375 E CB 1.886 31.775 29.700 0.315 0.000 1.301 375 E HN 0.301 nan 8.360 nan 0.000 0.454 376 P HA 0.017 nan 4.420 nan 0.000 0.265 376 P C 0.486 177.877 177.300 0.151 0.000 1.193 376 P CA 1.082 64.249 63.100 0.111 0.000 0.765 376 P CB 0.446 32.204 31.700 0.097 0.000 0.823 377 G N 1.776 110.618 108.800 0.069 0.000 2.259 377 G HA2 -0.220 3.740 3.960 0.001 0.000 0.217 377 G HA3 -0.220 3.740 3.960 0.001 0.000 0.217 377 G C 0.145 174.978 174.900 -0.111 0.000 1.001 377 G CA -0.386 44.750 45.100 0.060 0.000 0.627 377 G HN 0.447 nan 8.290 nan 0.000 0.501 378 M N 1.361 120.822 119.600 -0.230 0.000 2.217 378 M HA 0.530 5.010 4.480 0.001 0.000 0.354 378 M C -0.021 176.212 176.300 -0.112 0.000 1.225 378 M CA -0.037 55.057 55.300 -0.344 0.000 1.137 378 M CB 1.698 34.066 32.600 -0.387 0.000 1.576 378 M HN -0.046 nan 8.290 nan 0.000 0.461 379 V N 5.438 125.318 119.914 -0.056 0.000 2.448 379 V HA 0.674 4.795 4.120 0.001 0.000 0.295 379 V C -0.325 175.850 176.094 0.135 0.000 1.025 379 V CA -0.720 61.598 62.300 0.030 0.000 0.859 379 V CB 1.518 33.364 31.823 0.038 0.000 0.988 379 V HN 0.832 nan 8.190 nan 0.000 0.431 380 L N 2.268 123.520 121.223 0.048 0.000 2.491 380 L HA 0.981 5.321 4.340 0.001 0.000 0.254 380 L C -0.099 176.684 176.870 -0.146 0.000 1.048 380 L CA -0.707 54.126 54.840 -0.012 0.000 0.855 380 L CB 2.353 44.358 42.059 -0.089 0.000 1.466 380 L HN 0.599 nan 8.230 nan 0.000 0.409 381 T N -1.370 113.016 114.554 -0.280 0.000 2.912 381 T HA 0.778 5.128 4.350 0.001 0.000 0.280 381 T C -0.396 174.192 174.700 -0.186 0.000 0.989 381 T CA -0.747 61.193 62.100 -0.267 0.000 0.995 381 T CB 1.806 70.390 68.868 -0.473 0.000 1.077 381 T HN 0.540 nan 8.240 nan 0.000 0.531 382 V N 2.383 122.257 119.914 -0.066 0.000 2.462 382 V HA 0.425 4.545 4.120 0.001 0.000 0.288 382 V C -0.350 175.781 176.094 0.062 0.000 1.020 382 V CA -0.762 61.568 62.300 0.048 0.000 0.857 382 V CB 0.937 32.826 31.823 0.111 0.000 1.013 382 V HN 1.102 nan 8.190 nan 0.000 0.431 383 E N 4.598 124.868 120.200 0.117 0.000 3.666 383 E HA 0.357 4.708 4.350 0.001 0.000 0.230 383 E C -2.971 173.800 176.600 0.285 0.000 1.235 383 E CA -1.628 54.878 56.400 0.176 0.000 1.096 383 E CB 1.696 31.507 29.700 0.184 0.000 1.287 383 E HN 0.473 nan 8.360 nan 0.000 0.406 384 P HA 0.291 nan 4.420 nan 0.000 0.272 384 P C 0.184 177.439 177.300 -0.075 0.000 1.230 384 P CA 0.254 63.270 63.100 -0.140 0.000 0.788 384 P CB 1.491 33.000 31.700 -0.320 0.000 0.949 385 G N 0.306 108.946 108.800 -0.266 0.000 2.632 385 G HA2 0.575 4.535 3.960 0.001 0.000 0.292 385 G HA3 0.575 4.535 3.960 0.001 0.000 0.292 385 G C -2.141 172.514 174.900 -0.407 0.000 1.465 385 G CA -0.632 44.346 45.100 -0.203 0.000 0.824 385 G HN 0.432 nan 8.290 nan 0.000 0.509 386 L N 0.413 121.227 121.223 -0.683 0.000 2.438 386 L HA 0.527 4.868 4.340 0.001 0.000 0.270 386 L C -1.536 174.947 176.870 -0.644 0.000 0.972 386 L CA -0.852 53.721 54.840 -0.445 0.000 0.831 386 L CB 2.375 44.281 42.059 -0.255 0.000 1.273 386 L HN 0.610 nan 8.230 nan 0.000 0.405 387 Y N 3.821 124.261 120.300 0.232 0.000 2.332 387 Y HA 0.520 5.070 4.550 0.000 0.000 0.326 387 Y C -0.175 175.894 175.900 0.283 0.000 0.978 387 Y CA -0.651 57.576 58.100 0.212 0.000 1.205 387 Y CB 1.421 39.996 38.460 0.192 0.000 1.131 387 Y HN 0.323 nan 8.280 nan 0.000 0.462 388 I N 3.610 124.373 120.570 0.320 0.000 2.330 388 I HA 0.508 4.678 4.170 0.001 0.000 0.286 388 I C 0.477 176.745 176.117 0.251 0.000 1.025 388 I CA -0.820 60.677 61.300 0.329 0.000 1.197 388 I CB 0.854 38.959 38.000 0.174 0.000 1.358 388 I HN 0.770 nan 8.210 nan 0.000 0.467 389 A N 8.183 131.148 122.820 0.242 0.000 2.547 389 A HA 0.146 4.466 4.320 0.001 0.000 0.233 389 A C -1.552 176.110 177.584 0.128 0.000 1.067 389 A CA -0.571 51.559 52.037 0.154 0.000 0.763 389 A CB -0.287 18.782 19.000 0.115 0.000 1.007 389 A HN 0.570 nan 8.150 nan 0.000 0.506 390 P HA -0.094 nan 4.420 nan 0.000 0.222 390 P C 0.386 177.726 177.300 0.066 0.000 1.147 390 P CA 1.592 64.734 63.100 0.070 0.000 0.790 390 P CB 0.132 31.861 31.700 0.047 0.000 0.780 391 D N -1.850 118.591 120.400 0.069 0.000 2.462 391 D HA 0.163 4.803 4.640 0.001 0.000 0.221 391 D C 0.186 176.532 176.300 0.077 0.000 1.173 391 D CA -0.447 53.589 54.000 0.061 0.000 0.831 391 D CB -0.203 40.623 40.800 0.044 0.000 1.001 391 D HN -0.062 nan 8.370 nan 0.000 0.499 392 A N 0.807 123.695 122.820 0.113 0.000 2.440 392 A HA 0.140 4.460 4.320 0.001 0.000 0.251 392 A C 0.487 178.153 177.584 0.136 0.000 1.089 392 A CA -0.299 51.829 52.037 0.152 0.000 0.779 392 A CB 0.215 19.374 19.000 0.265 0.000 1.022 392 A HN 0.166 nan 8.150 nan 0.000 0.492 393 E N 1.265 121.541 120.200 0.127 0.000 1.999 393 E HA 0.280 4.630 4.350 0.001 0.000 0.296 393 E C -0.150 176.523 176.600 0.123 0.000 1.187 393 E CA -0.102 56.360 56.400 0.103 0.000 1.229 393 E CB -0.381 29.367 29.700 0.079 0.000 1.131 393 E HN 0.556 nan 8.360 nan 0.000 0.478 394 V N -1.244 118.745 119.914 0.125 0.000 3.182 394 V HA 0.563 4.683 4.120 0.001 0.000 0.308 394 V C -2.785 173.384 176.094 0.124 0.000 1.240 394 V CA -3.111 59.264 62.300 0.124 0.000 1.063 394 V CB 1.453 33.349 31.823 0.121 0.000 1.076 394 V HN 0.065 nan 8.190 nan 0.000 0.446 395 P HA 0.067 nan 4.420 nan 0.000 0.260 395 P C 0.952 178.274 177.300 0.036 0.000 1.185 395 P CA 0.647 63.811 63.100 0.107 0.000 0.763 395 P CB 0.370 32.176 31.700 0.177 0.000 0.776 396 E N 4.162 124.352 120.200 -0.015 0.000 2.172 396 E HA -0.389 3.961 4.350 0.001 0.000 0.213 396 E C 1.437 177.977 176.600 -0.099 0.000 1.051 396 E CA 1.682 58.059 56.400 -0.038 0.000 0.860 396 E CB 0.024 29.699 29.700 -0.042 0.000 0.755 396 E HN 0.523 nan 8.360 nan 0.000 0.462 397 Q N -0.526 119.125 119.800 -0.248 0.000 2.500 397 Q HA -0.175 4.165 4.340 0.001 0.000 0.213 397 Q C 0.909 176.706 176.000 -0.338 0.000 0.974 397 Q CA 1.182 56.786 55.803 -0.331 0.000 0.918 397 Q CB -0.319 28.152 28.738 -0.446 0.000 0.980 397 Q HN 0.520 nan 8.270 nan 0.000 0.505 398 Y N 0.875 121.172 120.300 -0.005 0.000 2.497 398 Y HA 0.312 4.862 4.550 0.000 0.000 0.265 398 Y C 0.693 176.600 175.900 0.011 0.000 1.111 398 Y CA -0.631 57.463 58.100 -0.010 0.000 1.288 398 Y CB 0.308 38.739 38.460 -0.047 0.000 1.082 398 Y HN -0.023 nan 8.280 nan 0.000 0.536 399 R N 0.564 121.146 120.500 0.137 0.000 2.585 399 R HA 0.253 4.594 4.340 0.001 0.000 0.275 399 R C 1.212 177.567 176.300 0.092 0.000 1.018 399 R CA 1.059 57.227 56.100 0.114 0.000 1.072 399 R CB -0.206 30.141 30.300 0.078 0.000 0.953 399 R HN 0.501 nan 8.270 nan 0.000 0.419 400 G N 2.610 111.471 108.800 0.102 0.000 2.136 400 G HA2 -0.272 3.688 3.960 0.001 0.000 0.242 400 G HA3 -0.272 3.688 3.960 0.001 0.000 0.242 400 G C 0.095 175.046 174.900 0.086 0.000 0.989 400 G CA -0.376 44.772 45.100 0.080 0.000 0.682 400 G HN 0.541 nan 8.290 nan 0.000 0.522 401 I N 1.264 121.903 120.570 0.115 0.000 2.321 401 I HA 0.555 4.726 4.170 0.001 0.000 0.291 401 I C 0.817 177.011 176.117 0.129 0.000 0.998 401 I CA -0.297 61.071 61.300 0.113 0.000 1.227 401 I CB 1.710 39.786 38.000 0.127 0.000 1.368 401 I HN 0.135 nan 8.210 nan 0.000 0.466 402 G N 7.802 116.683 108.800 0.136 0.000 2.574 402 G HA2 0.745 4.705 3.960 0.001 0.000 0.306 402 G HA3 0.745 4.705 3.960 0.001 0.000 0.306 402 G C -0.854 174.121 174.900 0.125 0.000 1.334 402 G CA -0.290 44.934 45.100 0.207 0.000 0.954 402 G HN 0.479 nan 8.290 nan 0.000 0.500 403 I N 1.573 122.112 120.570 -0.052 0.000 2.533 403 I HA 0.586 4.757 4.170 0.001 0.000 0.290 403 I C -0.214 175.841 176.117 -0.104 0.000 1.056 403 I CA -0.898 60.399 61.300 -0.004 0.000 1.057 403 I CB 2.719 40.735 38.000 0.028 0.000 1.240 403 I HN 0.445 nan 8.210 nan 0.000 0.423 404 R N 6.681 127.229 120.500 0.081 0.000 2.651 404 R HA 0.747 5.087 4.340 0.001 0.000 0.278 404 R C -2.078 174.294 176.300 0.119 0.000 1.010 404 R CA -0.519 55.653 56.100 0.119 0.000 0.896 404 R CB 2.053 32.546 30.300 0.321 0.000 1.211 404 R HN 0.633 nan 8.270 nan 0.000 0.456 405 I N 2.808 123.411 120.570 0.055 0.000 2.478 405 I HA 0.365 4.536 4.170 0.001 0.000 0.287 405 I C -0.863 175.289 176.117 0.059 0.000 1.042 405 I CA -0.621 60.712 61.300 0.055 0.000 1.067 405 I CB 2.087 40.060 38.000 -0.045 0.000 1.233 405 I HN 0.632 nan 8.210 nan 0.000 0.431 406 E N 5.712 125.954 120.200 0.071 0.000 2.256 406 E HA 0.437 4.787 4.350 0.001 0.000 0.268 406 E C -1.782 174.836 176.600 0.030 0.000 0.877 406 E CA -0.574 55.861 56.400 0.060 0.000 0.757 406 E CB 2.148 31.903 29.700 0.092 0.000 1.183 406 E HN 0.464 nan 8.360 nan 0.000 0.418 407 D N 2.363 122.775 120.400 0.021 0.000 2.423 407 D HA 0.379 5.019 4.640 0.001 0.000 0.235 407 D C -1.284 175.017 176.300 0.001 0.000 1.011 407 D CA -0.418 53.590 54.000 0.013 0.000 0.963 407 D CB 1.746 42.557 40.800 0.017 0.000 1.349 407 D HN 0.372 nan 8.370 nan 0.000 0.508 408 D N 0.945 121.349 120.400 0.007 0.000 2.278 408 D HA 0.452 5.092 4.640 0.001 0.000 0.245 408 D C 0.064 176.361 176.300 -0.006 0.000 1.052 408 D CA -0.349 53.651 54.000 -0.001 0.000 0.834 408 D CB 1.924 42.743 40.800 0.032 0.000 1.194 408 D HN 0.337 nan 8.370 nan 0.000 0.481 409 I N -1.702 118.851 120.570 -0.029 0.000 2.934 409 I HA 0.714 4.884 4.170 0.001 0.000 0.306 409 I C -1.190 174.911 176.117 -0.028 0.000 1.110 409 I CA -1.169 60.116 61.300 -0.025 0.000 1.019 409 I CB 2.456 40.435 38.000 -0.035 0.000 1.227 409 I HN 0.109 nan 8.210 nan 0.000 0.434 410 V N 5.643 125.549 119.914 -0.014 0.000 2.487 410 V HA 0.479 4.600 4.120 0.001 0.000 0.298 410 V C -0.227 175.866 176.094 -0.003 0.000 1.028 410 V CA -0.674 61.619 62.300 -0.011 0.000 0.860 410 V CB 1.700 33.520 31.823 -0.004 0.000 0.991 410 V HN 0.576 nan 8.190 nan 0.000 0.427 411 I N 6.417 126.984 120.570 -0.005 0.000 2.556 411 I HA 0.268 4.438 4.170 0.001 0.000 0.284 411 I C 0.936 177.073 176.117 0.032 0.000 1.114 411 I CA 0.675 61.988 61.300 0.021 0.000 1.418 411 I CB 0.915 38.932 38.000 0.028 0.000 1.394 411 I HN 0.896 nan 8.210 nan 0.000 0.552 412 T N 2.515 117.094 114.554 0.042 0.000 2.905 412 T HA 0.385 4.735 4.350 0.001 0.000 0.283 412 T C 1.003 175.731 174.700 0.047 0.000 1.031 412 T CA -0.707 61.417 62.100 0.040 0.000 1.002 412 T CB 1.852 70.739 68.868 0.032 0.000 1.200 412 T HN 0.463 nan 8.240 nan 0.000 0.560 413 E N 0.931 121.155 120.200 0.041 0.000 2.085 413 E HA -0.112 4.238 4.350 0.001 0.000 0.194 413 E C 2.120 178.744 176.600 0.040 0.000 0.994 413 E CA 2.177 58.601 56.400 0.040 0.000 0.801 413 E CB -0.756 28.963 29.700 0.031 0.000 0.743 413 E HN 0.922 nan 8.360 nan 0.000 0.453 414 T N -3.434 111.141 114.554 0.036 0.000 3.069 414 T HA 0.452 4.803 4.350 0.001 0.000 0.252 414 T C 0.977 175.701 174.700 0.041 0.000 1.053 414 T CA 0.456 62.577 62.100 0.034 0.000 0.964 414 T CB 0.896 69.780 68.868 0.027 0.000 1.005 414 T HN 0.235 nan 8.240 nan 0.000 0.532 415 G N 1.745 110.575 108.800 0.049 0.000 2.307 415 G HA2 0.347 4.307 3.960 0.001 0.000 0.077 415 G HA3 0.347 4.307 3.960 0.001 0.000 0.077 415 G C -1.539 173.402 174.900 0.068 0.000 0.867 415 G CA -0.156 44.981 45.100 0.061 0.000 1.246 415 G HN 0.837 nan 8.290 nan 0.000 0.489 416 N N -0.327 118.409 118.700 0.059 0.000 2.710 416 N HA 0.493 5.234 4.740 0.001 0.000 0.257 416 N C -1.619 173.913 175.510 0.036 0.000 1.327 416 N CA -0.617 52.463 53.050 0.049 0.000 0.861 416 N CB 2.338 40.864 38.487 0.066 0.000 1.532 416 N HN 0.572 nan 8.380 nan 0.000 0.499 417 E N 0.739 120.953 120.200 0.023 0.000 2.158 417 E HA 0.233 4.583 4.350 0.001 0.000 0.271 417 E C -1.103 175.505 176.600 0.014 0.000 0.911 417 E CA -0.730 55.681 56.400 0.017 0.000 0.767 417 E CB 0.744 30.451 29.700 0.011 0.000 1.120 417 E HN 0.531 nan 8.360 nan 0.000 0.405 418 N N 5.177 123.887 118.700 0.017 0.000 2.411 418 N HA 0.077 4.817 4.740 0.001 0.000 0.259 418 N C 0.551 176.068 175.510 0.010 0.000 1.103 418 N CA 0.063 53.122 53.050 0.016 0.000 0.954 418 N CB 0.766 39.266 38.487 0.020 0.000 1.085 418 N HN 0.642 nan 8.380 nan 0.000 0.485 419 L N 2.089 123.318 121.223 0.009 0.000 2.558 419 L HA 0.053 4.393 4.340 0.001 0.000 0.225 419 L C 1.240 178.115 176.870 0.008 0.000 1.128 419 L CA 0.642 55.486 54.840 0.006 0.000 0.868 419 L CB -0.090 41.974 42.059 0.009 0.000 1.006 419 L HN 0.595 nan 8.230 nan 0.000 0.454 420 T N -5.057 109.504 114.554 0.013 0.000 3.288 420 T HA 0.349 4.699 4.350 0.001 0.000 0.293 420 T C 1.211 175.920 174.700 0.015 0.000 1.008 420 T CA 0.285 62.394 62.100 0.015 0.000 0.929 420 T CB 0.726 69.604 68.868 0.015 0.000 1.152 420 T HN 0.096 nan 8.240 nan 0.000 0.517 421 A N 1.849 124.677 122.820 0.015 0.000 2.209 421 A HA 0.144 4.465 4.320 0.001 0.000 0.212 421 A C 2.321 179.916 177.584 0.019 0.000 1.158 421 A CA 0.983 53.031 52.037 0.018 0.000 0.742 421 A CB -0.761 18.249 19.000 0.017 0.000 0.790 421 A HN 0.743 nan 8.150 nan 0.000 0.472 422 S N -1.022 114.687 115.700 0.016 0.000 2.603 422 S HA 0.166 4.636 4.470 0.001 0.000 0.229 422 S C 0.420 175.035 174.600 0.025 0.000 0.972 422 S CA 0.506 58.715 58.200 0.015 0.000 0.935 422 S CB -0.536 62.667 63.200 0.006 0.000 0.769 422 S HN 0.559 nan 8.310 nan 0.000 0.536 423 V N 2.958 122.891 119.914 0.033 0.000 2.409 423 V HA 0.591 4.711 4.120 0.001 0.000 0.291 423 V C 0.102 176.222 176.094 0.045 0.000 1.020 423 V CA -1.000 61.326 62.300 0.044 0.000 0.848 423 V CB 1.523 33.385 31.823 0.066 0.000 0.990 423 V HN 0.425 nan 8.190 nan 0.000 0.430 424 V N 4.967 124.906 119.914 0.042 0.000 3.032 424 V HA 0.370 4.490 4.120 0.001 0.000 0.307 424 V C 0.709 176.860 176.094 0.094 0.000 1.097 424 V CA 1.000 63.333 62.300 0.054 0.000 1.191 424 V CB 0.548 32.395 31.823 0.039 0.000 0.964 424 V HN 1.106 nan 8.190 nan 0.000 0.494 425 K N 0.871 121.343 120.400 0.119 0.000 2.590 425 K HA 0.350 4.670 4.320 0.001 0.000 0.218 425 K C 0.393 177.143 176.600 0.250 0.000 1.536 425 K CA -0.576 55.835 56.287 0.207 0.000 1.013 425 K CB 0.321 32.919 32.500 0.165 0.000 1.265 425 K HN 0.556 nan 8.250 nan 0.000 0.603 426 K N 3.247 123.734 120.400 0.146 0.000 2.368 426 K HA 0.097 4.417 4.320 0.001 0.000 0.282 426 K C -1.800 174.845 176.600 0.075 0.000 1.035 426 K CA -1.723 54.634 56.287 0.118 0.000 0.973 426 K CB 0.939 33.475 32.500 0.060 0.000 0.957 426 K HN -0.093 nan 8.250 nan 0.000 0.474 427 P HA -0.234 nan 4.420 nan 0.000 0.216 427 P C 0.231 177.544 177.300 0.022 0.000 1.154 427 P CA 1.651 64.647 63.100 -0.175 0.000 0.865 427 P CB 0.330 31.708 31.700 -0.536 0.000 0.789 428 E N 0.477 120.682 120.200 0.008 0.000 2.072 428 E HA -0.151 4.199 4.350 0.001 0.000 0.191 428 E C 2.134 178.756 176.600 0.037 0.000 0.985 428 E CA 1.099 57.516 56.400 0.029 0.000 0.801 428 E CB -0.917 28.791 29.700 0.013 0.000 0.750 428 E HN 0.442 nan 8.360 nan 0.000 0.452 429 E N 0.320 120.542 120.200 0.036 0.000 2.153 429 E HA -0.125 4.225 4.350 0.001 0.000 0.194 429 E C 2.029 178.647 176.600 0.030 0.000 0.988 429 E CA 0.719 57.138 56.400 0.031 0.000 0.811 429 E CB -0.118 29.602 29.700 0.033 0.000 0.746 429 E HN 0.275 nan 8.360 nan 0.000 0.466 430 I N 1.249 121.852 120.570 0.056 0.000 2.163 430 I HA -0.265 3.906 4.170 0.001 0.000 0.240 430 I C 2.208 178.333 176.117 0.013 0.000 1.081 430 I CA 1.265 62.590 61.300 0.040 0.000 1.353 430 I CB -0.249 37.828 38.000 0.128 0.000 1.054 430 I HN 0.094 nan 8.210 nan 0.000 0.407 431 E N 1.006 121.241 120.200 0.058 0.000 2.110 431 E HA -0.219 4.131 4.350 0.001 0.000 0.193 431 E C 2.291 178.894 176.600 0.004 0.000 0.988 431 E CA 1.320 57.737 56.400 0.029 0.000 0.804 431 E CB -0.207 29.535 29.700 0.069 0.000 0.745 431 E HN 0.525 nan 8.360 nan 0.000 0.458 432 A N 1.309 124.134 122.820 0.009 0.000 1.930 432 A HA -0.135 4.185 4.320 0.001 0.000 0.217 432 A C 2.181 179.757 177.584 -0.014 0.000 1.175 432 A CA 0.850 52.886 52.037 -0.001 0.000 0.627 432 A CB -0.469 18.534 19.000 0.005 0.000 0.815 432 A HN 0.210 nan 8.150 nan 0.000 0.443 433 L N -0.560 120.650 121.223 -0.022 0.000 2.017 433 L HA -0.134 4.206 4.340 0.001 0.000 0.208 433 L C 2.512 179.349 176.870 -0.055 0.000 1.073 433 L CA 2.136 56.952 54.840 -0.039 0.000 0.745 433 L CB -0.373 41.654 42.059 -0.054 0.000 0.894 433 L HN 0.432 nan 8.230 nan 0.000 0.432 434 M N -2.213 117.347 119.600 -0.067 0.000 2.175 434 M HA -0.166 4.314 4.480 0.001 0.000 0.264 434 M C 2.117 178.391 176.300 -0.044 0.000 1.063 434 M CA 1.213 56.471 55.300 -0.071 0.000 1.119 434 M CB -0.320 32.232 32.600 -0.080 0.000 1.377 434 M HN 0.144 nan 8.290 nan 0.000 0.415 435 V N 0.565 120.460 119.914 -0.031 0.000 2.261 435 V HA -0.263 3.857 4.120 0.001 0.000 0.246 435 V C 2.662 178.743 176.094 -0.021 0.000 1.047 435 V CA 2.129 64.415 62.300 -0.022 0.000 1.015 435 V CB -1.066 30.749 31.823 -0.014 0.000 0.642 435 V HN 0.518 nan 8.190 nan 0.000 0.446 436 A N -0.121 122.687 122.820 -0.021 0.000 1.908 436 A HA -0.183 4.137 4.320 0.001 0.000 0.218 436 A C 2.379 179.951 177.584 -0.022 0.000 1.181 436 A CA 2.292 54.318 52.037 -0.018 0.000 0.627 436 A CB -0.800 18.190 19.000 -0.016 0.000 0.818 436 A HN 0.609 nan 8.150 nan 0.000 0.445 437 A N -0.562 122.240 122.820 -0.029 0.000 1.969 437 A HA -0.103 4.218 4.320 0.001 0.000 0.218 437 A C 2.217 179.783 177.584 -0.029 0.000 1.169 437 A CA 1.356 53.374 52.037 -0.031 0.000 0.635 437 A CB -0.372 18.602 19.000 -0.044 0.000 0.810 437 A HN 0.560 nan 8.150 nan 0.000 0.445 438 R N 0.019 120.502 120.500 -0.028 0.000 2.153 438 R HA -0.065 4.275 4.340 0.001 0.000 0.218 438 R C 1.815 178.103 176.300 -0.021 0.000 1.072 438 R CA 1.371 57.456 56.100 -0.025 0.000 0.990 438 R CB -0.194 30.090 30.300 -0.025 0.000 0.889 438 R HN 0.731 nan 8.270 nan 0.000 0.452 439 K N 0.692 121.081 120.400 -0.018 0.000 2.525 439 K HA 0.014 4.334 4.320 0.001 0.000 0.192 439 K C -0.173 176.418 176.600 -0.015 0.000 1.029 439 K CA 0.168 56.446 56.287 -0.015 0.000 1.029 439 K CB 0.196 32.688 32.500 -0.013 0.000 0.814 439 K HN -0.100 nan 8.250 nan 0.000 0.503 440 Q N 0.000 119.790 119.800 -0.017 0.000 2.315 440 Q HA 0.000 4.340 4.340 0.001 0.000 0.214 440 Q CA 0.000 55.793 55.803 -0.017 0.000 1.022 440 Q CB 0.000 28.728 28.738 -0.016 0.000 1.108 440 Q HN 0.000 nan 8.270 nan 0.000 0.481