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 2cuy_1_B DATA FIRST_RESID 1 DATA SEQUENCE MYAALFPGQG SHRVGMGRAL YEASPAAKEV LDRAEAALPG LLKLMWEGPE DATA SEQUENCE EALTLTENQQ PALLAAGYAA YRAFLEAGGK PPALAAGHSL GEWTAHVAAG DATA SEQUENCE TLELEDALRL VRLRGRYMQE AVPVGEGAMA AVLKLPLEEI QKALEGLEGV DATA SEQUENCE EIANLNAPEQ TVISGRRQAV EEAAERLKER RARVVFLPVS APFHSSLMAP DATA SEQUENCE ARKRLAEDLA QVPLRRPRFP VYSNVTARPE EDPERIRALL LEQITAPVRW DATA SEQUENCE VEILRDMEAR GVKRFLEFGS GEVLKGLVLR TLKEAEALSV QDPDSLRKAL DATA SEQUENCE EVERA 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.301 176.300 0.002 0.000 1.140 1 M CA 0.000 55.303 55.300 0.005 0.000 0.988 1 M CB 0.000 32.574 32.600 -0.044 0.000 1.302 2 Y N 2.508 122.729 120.300 -0.132 0.000 2.605 2 Y HA 0.990 5.541 4.550 0.001 0.000 0.343 2 Y C -1.451 174.299 175.900 -0.250 0.000 1.036 2 Y CA -0.739 57.224 58.100 -0.229 0.000 1.065 2 Y CB 1.511 39.886 38.460 -0.142 0.000 1.288 2 Y HN 0.714 nan 8.280 nan 0.000 0.481 3 A N 1.604 124.223 122.820 -0.334 0.000 2.342 3 A HA 0.859 5.180 4.320 0.001 0.000 0.323 3 A C -0.872 176.711 177.584 -0.001 0.000 1.125 3 A CA -0.502 51.348 52.037 -0.312 0.000 0.785 3 A CB 0.546 19.351 19.000 -0.327 0.000 1.221 3 A HN 1.403 nan 8.150 nan 0.000 0.463 4 A N 2.552 125.360 122.820 -0.020 0.000 2.301 4 A HA 0.676 4.996 4.320 0.001 0.000 0.298 4 A C -0.477 177.121 177.584 0.024 0.000 1.185 4 A CA -0.223 51.897 52.037 0.139 0.000 0.830 4 A CB -0.018 19.053 19.000 0.118 0.000 1.112 4 A HN 0.821 nan 8.150 nan 0.000 0.508 5 L N 2.119 123.295 121.223 -0.079 0.000 2.365 5 L HA 0.607 4.947 4.340 0.001 0.000 0.273 5 L C -1.340 175.397 176.870 -0.221 0.000 1.000 5 L CA -0.322 54.559 54.840 0.069 0.000 0.819 5 L CB 1.797 44.013 42.059 0.262 0.000 1.284 5 L HN 0.665 nan 8.230 nan 0.000 0.418 6 F N 3.142 123.267 119.950 0.290 0.000 2.493 6 F HA 0.488 5.015 4.527 0.001 0.000 0.329 6 F C -2.014 173.859 175.800 0.122 0.000 1.126 6 F CA -2.237 55.898 58.000 0.224 0.000 0.937 6 F CB 1.686 40.817 39.000 0.218 0.000 1.146 6 F HN 0.237 nan 8.300 nan 0.000 0.442 7 P HA 0.241 nan 4.420 nan 0.000 0.272 7 P C -0.238 177.106 177.300 0.074 0.000 1.230 7 P CA 0.060 63.194 63.100 0.056 0.000 0.788 7 P CB 1.467 33.188 31.700 0.036 0.000 0.949 8 G N 0.766 109.553 108.800 -0.022 0.000 3.119 8 G HA2 0.272 4.233 3.960 0.001 0.000 0.206 8 G HA3 0.272 4.233 3.960 0.001 0.000 0.206 8 G C -0.671 174.195 174.900 -0.055 0.000 1.313 8 G CA -0.715 44.390 45.100 0.008 0.000 1.010 8 G HN 0.503 nan 8.290 nan 0.000 0.578 9 Q N -0.488 119.255 119.800 -0.094 0.000 2.304 9 Q HA 0.337 4.678 4.340 0.001 0.000 0.301 9 Q C 1.144 177.094 176.000 -0.083 0.000 1.063 9 Q CA 1.343 57.057 55.803 -0.149 0.000 0.947 9 Q CB 0.650 29.211 28.738 -0.295 0.000 1.201 9 Q HN 1.263 nan 8.270 nan 0.000 0.389 10 G N 1.247 110.094 108.800 0.079 0.000 2.232 10 G HA2 -0.274 3.686 3.960 0.001 0.000 0.226 10 G HA3 -0.274 3.686 3.960 0.001 0.000 0.226 10 G C 0.801 175.750 174.900 0.082 0.000 0.996 10 G CA 0.217 45.386 45.100 0.114 0.000 0.626 10 G HN 0.529 nan 8.290 nan 0.000 0.509 11 S N 1.640 117.394 115.700 0.089 0.000 2.605 11 S HA 0.208 4.679 4.470 0.001 0.000 0.217 11 S C 0.896 175.537 174.600 0.068 0.000 0.958 11 S CA 0.266 58.482 58.200 0.027 0.000 0.919 11 S CB -0.159 63.041 63.200 -0.001 0.000 0.780 11 S HN 0.923 nan 8.310 nan 0.000 0.507 12 H N 1.873 120.929 119.070 -0.024 0.000 2.509 12 H HA 0.732 5.288 4.556 0.000 0.000 0.359 12 H C 0.192 175.523 175.328 0.004 0.000 1.253 12 H CA -0.731 55.315 56.048 -0.003 0.000 1.373 12 H CB 0.578 30.331 29.762 -0.015 0.000 1.555 12 H HN 0.287 nan 8.280 nan 0.000 0.586 13 R N -0.708 119.752 120.500 -0.067 0.000 2.824 13 R HA 0.314 4.655 4.340 0.001 0.000 0.267 13 R C -1.975 174.343 176.300 0.030 0.000 1.035 13 R CA -0.838 55.197 56.100 -0.108 0.000 0.887 13 R CB 0.340 30.582 30.300 -0.095 0.000 1.262 13 R HN 0.320 nan 8.270 nan 0.000 0.487 14 V N 1.956 121.889 119.914 0.031 0.000 2.599 14 V HA 0.375 4.495 4.120 0.001 0.000 0.300 14 V C 1.579 177.737 176.094 0.108 0.000 1.034 14 V CA 1.496 63.847 62.300 0.084 0.000 1.115 14 V CB 0.418 32.277 31.823 0.060 0.000 0.934 14 V HN 1.166 nan 8.190 nan 0.000 0.485 15 G N 3.524 112.450 108.800 0.210 0.000 2.213 15 G HA2 -0.221 3.740 3.960 0.001 0.000 0.226 15 G HA3 -0.221 3.740 3.960 0.001 0.000 0.226 15 G C 0.225 175.271 174.900 0.244 0.000 0.992 15 G CA -0.010 45.203 45.100 0.188 0.000 0.632 15 G HN 0.981 nan 8.290 nan 0.000 0.511 16 M N -0.167 119.581 119.600 0.247 0.000 2.261 16 M HA 0.429 4.910 4.480 0.001 0.000 0.350 16 M C 1.515 178.022 176.300 0.345 0.000 1.343 16 M CA 1.461 56.895 55.300 0.222 0.000 1.003 16 M CB 0.545 33.243 32.600 0.164 0.000 1.848 16 M HN 1.735 nan 8.290 nan 0.000 0.456 17 G N 2.742 111.713 108.800 0.285 0.000 2.220 17 G HA2 -0.362 3.599 3.960 0.001 0.000 0.269 17 G HA3 -0.362 3.599 3.960 0.001 0.000 0.269 17 G C 0.976 176.135 174.900 0.431 0.000 0.977 17 G CA 0.806 46.117 45.100 0.350 0.000 0.634 17 G HN 0.924 nan 8.290 nan 0.000 0.539 18 R N 0.700 121.388 120.500 0.313 0.000 2.066 18 R HA 0.196 4.536 4.340 0.001 0.000 0.232 18 R C 3.044 179.340 176.300 -0.007 0.000 1.131 18 R CA 2.176 58.209 56.100 -0.111 0.000 0.955 18 R CB -0.541 29.397 30.300 -0.604 0.000 0.851 18 R HN 0.744 nan 8.270 nan 0.000 0.432 19 A N 1.339 124.174 122.820 0.025 0.000 1.859 19 A HA -0.199 4.121 4.320 0.001 0.000 0.217 19 A C 2.231 179.863 177.584 0.081 0.000 1.198 19 A CA 1.627 53.683 52.037 0.032 0.000 0.629 19 A CB -0.824 18.196 19.000 0.034 0.000 0.830 19 A HN 0.381 nan 8.150 nan 0.000 0.446 20 L N -2.327 118.974 121.223 0.130 0.000 2.083 20 L HA -0.197 4.143 4.340 0.001 0.000 0.209 20 L C 2.573 179.536 176.870 0.155 0.000 1.083 20 L CA 1.731 56.652 54.840 0.135 0.000 0.752 20 L CB -0.636 41.520 42.059 0.162 0.000 0.899 20 L HN 0.622 nan 8.230 nan 0.000 0.433 21 Y N 1.760 122.126 120.300 0.109 0.000 2.081 21 Y HA -0.345 4.205 4.550 0.001 0.000 0.280 21 Y C 2.568 178.504 175.900 0.059 0.000 1.163 21 Y CA 2.330 60.511 58.100 0.135 0.000 1.135 21 Y CB -0.106 38.499 38.460 0.243 0.000 0.970 21 Y HN 0.367 nan 8.280 nan 0.000 0.498 22 E N -0.928 119.362 120.200 0.150 0.000 2.481 22 E HA 0.107 4.458 4.350 0.001 0.000 0.195 22 E C 1.743 178.336 176.600 -0.011 0.000 1.047 22 E CA 0.611 57.034 56.400 0.038 0.000 0.867 22 E CB -0.017 29.718 29.700 0.059 0.000 0.858 22 E HN 0.459 nan 8.360 nan 0.000 0.513 23 A N 1.244 124.066 122.820 0.002 0.000 2.085 23 A HA 0.128 4.448 4.320 0.001 0.000 0.208 23 A C 1.278 178.853 177.584 -0.014 0.000 1.191 23 A CA 0.257 52.293 52.037 -0.003 0.000 0.799 23 A CB 0.617 19.627 19.000 0.015 0.000 0.877 23 A HN 0.140 nan 8.150 nan 0.000 0.473 24 S N -0.374 115.314 115.700 -0.020 0.000 2.659 24 S HA 0.522 4.993 4.470 0.001 0.000 0.312 24 S C -2.350 172.208 174.600 -0.070 0.000 1.114 24 S CA -1.433 56.750 58.200 -0.028 0.000 1.063 24 S CB 1.521 64.725 63.200 0.007 0.000 0.996 24 S HN -0.014 nan 8.310 nan 0.000 0.478 25 P HA -0.044 nan 4.420 nan 0.000 0.216 25 P C 1.424 178.678 177.300 -0.077 0.000 1.150 25 P CA 1.422 64.467 63.100 -0.092 0.000 0.837 25 P CB 0.115 31.776 31.700 -0.065 0.000 0.786 26 A N 0.058 122.844 122.820 -0.057 0.000 1.877 26 A HA -0.145 4.175 4.320 0.001 0.000 0.216 26 A C 2.328 179.885 177.584 -0.045 0.000 1.186 26 A CA 2.248 54.253 52.037 -0.054 0.000 0.620 26 A CB -1.626 17.337 19.000 -0.063 0.000 0.822 26 A HN 0.199 nan 8.150 nan 0.000 0.443 27 A N -0.267 122.540 122.820 -0.022 0.000 1.898 27 A HA -0.140 4.180 4.320 0.001 0.000 0.216 27 A C 2.135 179.743 177.584 0.039 0.000 1.181 27 A CA 1.947 54.004 52.037 0.032 0.000 0.620 27 A CB -0.467 18.584 19.000 0.085 0.000 0.819 27 A HN 0.579 nan 8.150 nan 0.000 0.442 28 K N -0.542 119.795 120.400 -0.106 0.000 2.063 28 K HA -0.227 4.094 4.320 0.001 0.000 0.208 28 K C 1.820 178.358 176.600 -0.103 0.000 1.048 28 K CA 1.860 57.928 56.287 -0.366 0.000 0.928 28 K CB -0.118 31.994 32.500 -0.648 0.000 0.713 28 K HN 0.326 nan 8.250 nan 0.000 0.442 29 E N 0.106 120.278 120.200 -0.046 0.000 2.216 29 E HA -0.055 4.295 4.350 0.001 0.000 0.192 29 E C 1.749 178.395 176.600 0.076 0.000 0.988 29 E CA 0.478 56.891 56.400 0.021 0.000 0.834 29 E CB 0.159 29.861 29.700 0.002 0.000 0.772 29 E HN 0.123 nan 8.360 nan 0.000 0.479 30 V N 0.476 120.437 119.914 0.079 0.000 2.295 30 V HA -0.244 3.876 4.120 0.001 0.000 0.246 30 V C 2.258 178.447 176.094 0.160 0.000 1.049 30 V CA 1.524 63.898 62.300 0.124 0.000 1.024 30 V CB -0.435 31.444 31.823 0.093 0.000 0.648 30 V HN 0.287 nan 8.190 nan 0.000 0.447 31 L N -0.286 121.056 121.223 0.198 0.000 2.131 31 L HA -0.165 4.175 4.340 0.001 0.000 0.210 31 L C 2.276 179.251 176.870 0.175 0.000 1.092 31 L CA 1.376 56.341 54.840 0.209 0.000 0.759 31 L CB -0.665 41.616 42.059 0.369 0.000 0.903 31 L HN 0.368 nan 8.230 nan 0.000 0.435 32 D N -0.113 120.423 120.400 0.225 0.000 2.183 32 D HA -0.107 4.533 4.640 0.001 0.000 0.203 32 D C 2.315 178.672 176.300 0.096 0.000 0.969 32 D CA 0.854 54.958 54.000 0.173 0.000 0.842 32 D CB 0.039 40.944 40.800 0.175 0.000 0.957 32 D HN 0.284 nan 8.370 nan 0.000 0.484 33 R N 0.599 121.156 120.500 0.095 0.000 2.115 33 R HA 0.027 4.367 4.340 0.001 0.000 0.226 33 R C 2.243 178.575 176.300 0.055 0.000 1.100 33 R CA 0.960 57.105 56.100 0.074 0.000 0.980 33 R CB -0.045 30.311 30.300 0.093 0.000 0.875 33 R HN 0.046 nan 8.270 nan 0.000 0.445 34 A N 0.917 123.771 122.820 0.058 0.000 1.898 34 A HA -0.190 4.130 4.320 0.001 0.000 0.216 34 A C 1.994 179.567 177.584 -0.018 0.000 1.181 34 A CA 1.516 53.566 52.037 0.021 0.000 0.620 34 A CB -0.273 18.740 19.000 0.023 0.000 0.819 34 A HN 0.249 nan 8.150 nan 0.000 0.442 35 E N 0.455 120.641 120.200 -0.024 0.000 2.106 35 E HA -0.032 4.318 4.350 0.001 0.000 0.192 35 E C 1.905 178.492 176.600 -0.023 0.000 0.984 35 E CA 1.504 57.874 56.400 -0.050 0.000 0.806 35 E CB -0.426 29.243 29.700 -0.052 0.000 0.750 35 E HN 0.447 nan 8.360 nan 0.000 0.458 36 A N 0.738 123.560 122.820 0.002 0.000 1.902 36 A HA -0.003 4.317 4.320 0.001 0.000 0.217 36 A C 2.434 180.015 177.584 -0.004 0.000 1.181 36 A CA 1.989 54.030 52.037 0.007 0.000 0.623 36 A CB -0.957 18.056 19.000 0.022 0.000 0.818 36 A HN 0.402 nan 8.150 nan 0.000 0.443 37 A N -1.027 121.789 122.820 -0.006 0.000 1.929 37 A HA 0.306 4.626 4.320 0.001 0.000 0.216 37 A C 1.136 178.702 177.584 -0.031 0.000 1.176 37 A CA 0.859 52.887 52.037 -0.016 0.000 0.628 37 A CB -0.206 18.786 19.000 -0.014 0.000 0.816 37 A HN 0.413 nan 8.150 nan 0.000 0.444 38 L N 0.513 121.711 121.223 -0.041 0.000 2.556 38 L HA 0.282 4.623 4.340 0.001 0.000 0.243 38 L C -2.730 174.104 176.870 -0.060 0.000 1.331 38 L CA -2.013 52.794 54.840 -0.056 0.000 0.927 38 L CB 1.196 43.212 42.059 -0.071 0.000 1.219 38 L HN -0.015 nan 8.230 nan 0.000 0.490 39 P HA -0.075 nan 4.420 nan 0.000 0.259 39 P C 1.050 178.316 177.300 -0.057 0.000 1.155 39 P CA 1.382 64.456 63.100 -0.045 0.000 0.759 39 P CB 0.618 32.300 31.700 -0.031 0.000 0.753 40 G N 2.166 110.925 108.800 -0.068 0.000 2.234 40 G HA2 -0.333 3.627 3.960 0.001 0.000 0.235 40 G HA3 -0.333 3.627 3.960 0.001 0.000 0.235 40 G C 0.746 175.576 174.900 -0.115 0.000 0.997 40 G CA 0.241 45.295 45.100 -0.077 0.000 0.623 40 G HN 0.560 nan 8.290 nan 0.000 0.514 41 L N 1.078 122.220 121.223 -0.134 0.000 1.990 41 L HA 0.087 4.427 4.340 0.001 0.000 0.213 41 L C 2.800 179.502 176.870 -0.280 0.000 1.072 41 L CA 2.827 57.563 54.840 -0.172 0.000 0.755 41 L CB -0.632 41.333 42.059 -0.157 0.000 0.889 41 L HN 0.443 nan 8.230 nan 0.000 0.432 42 L N -0.628 120.363 121.223 -0.386 0.000 2.079 42 L HA -0.281 4.060 4.340 0.001 0.000 0.210 42 L C 2.671 179.209 176.870 -0.554 0.000 1.081 42 L CA 1.845 56.236 54.840 -0.748 0.000 0.752 42 L CB -0.630 40.927 42.059 -0.837 0.000 0.896 42 L HN 0.383 nan 8.230 nan 0.000 0.433 43 K N 0.043 120.296 120.400 -0.246 0.000 2.026 43 K HA -0.204 4.116 4.320 0.001 0.000 0.208 43 K C 2.146 178.707 176.600 -0.066 0.000 1.048 43 K CA 1.213 57.450 56.287 -0.082 0.000 0.929 43 K CB 0.067 32.542 32.500 -0.043 0.000 0.713 43 K HN 0.107 nan 8.250 nan 0.000 0.439 44 L N 0.887 122.048 121.223 -0.102 0.000 2.017 44 L HA -0.165 4.176 4.340 0.001 0.000 0.208 44 L C 2.457 179.294 176.870 -0.055 0.000 1.073 44 L CA 1.734 56.537 54.840 -0.063 0.000 0.745 44 L CB -1.061 40.955 42.059 -0.072 0.000 0.894 44 L HN 0.395 nan 8.230 nan 0.000 0.432 45 M N -2.221 117.284 119.600 -0.159 0.000 2.117 45 M HA -0.257 4.224 4.480 0.001 0.000 0.262 45 M C 2.134 178.463 176.300 0.049 0.000 1.065 45 M CA 1.827 57.043 55.300 -0.140 0.000 1.114 45 M CB -0.352 32.023 32.600 -0.375 0.000 1.361 45 M HN 0.267 nan 8.290 nan 0.000 0.408 46 W N 0.169 121.450 121.300 -0.032 0.000 2.574 46 W HA 0.076 4.736 4.660 0.000 0.000 0.282 46 W C 2.060 178.563 176.519 -0.026 0.000 1.197 46 W CA 0.601 57.923 57.345 -0.038 0.000 1.376 46 W CB -0.788 28.629 29.460 -0.072 0.000 1.091 46 W HN 0.271 nan 8.180 nan 0.000 0.569 47 E N -0.751 119.567 120.200 0.197 0.000 2.307 47 E HA 0.291 4.641 4.350 0.001 0.000 0.195 47 E C 1.376 178.017 176.600 0.069 0.000 0.975 47 E CA 0.717 57.183 56.400 0.111 0.000 0.878 47 E CB 0.364 30.117 29.700 0.088 0.000 0.845 47 E HN 0.096 nan 8.360 nan 0.000 0.488 48 G N 2.025 110.859 108.800 0.056 0.000 2.488 48 G HA2 -0.215 3.745 3.960 0.001 0.000 0.237 48 G HA3 -0.215 3.745 3.960 0.001 0.000 0.237 48 G C -2.381 172.533 174.900 0.023 0.000 1.209 48 G CA -0.418 44.705 45.100 0.039 0.000 0.929 48 G HN 0.091 nan 8.290 nan 0.000 0.578 49 P HA 0.155 nan 4.420 nan 0.000 0.268 49 P C 0.754 178.074 177.300 0.033 0.000 1.208 49 P CA 0.700 63.816 63.100 0.025 0.000 0.777 49 P CB 0.880 32.592 31.700 0.019 0.000 0.875 50 E N 1.388 121.611 120.200 0.037 0.000 2.070 50 E HA -0.279 4.072 4.350 0.001 0.000 0.197 50 E C 1.288 177.928 176.600 0.067 0.000 1.004 50 E CA 1.732 58.162 56.400 0.050 0.000 0.805 50 E CB -0.028 29.691 29.700 0.032 0.000 0.744 50 E HN 0.414 nan 8.360 nan 0.000 0.451 51 E N 0.245 120.474 120.200 0.049 0.000 2.153 51 E HA -0.146 4.204 4.350 0.001 0.000 0.194 51 E C 1.755 178.378 176.600 0.038 0.000 0.988 51 E CA 1.173 57.602 56.400 0.049 0.000 0.811 51 E CB -0.323 29.398 29.700 0.034 0.000 0.746 51 E HN 0.419 nan 8.360 nan 0.000 0.466 52 A N 0.485 123.321 122.820 0.026 0.000 1.930 52 A HA -0.109 4.212 4.320 0.001 0.000 0.217 52 A C 2.108 179.692 177.584 0.001 0.000 1.175 52 A CA 1.138 53.180 52.037 0.008 0.000 0.627 52 A CB -0.503 18.498 19.000 0.003 0.000 0.815 52 A HN 0.283 nan 8.150 nan 0.000 0.443 53 L N -0.386 120.853 121.223 0.026 0.000 2.156 53 L HA -0.040 4.301 4.340 0.001 0.000 0.208 53 L C 2.249 179.110 176.870 -0.015 0.000 1.095 53 L CA 2.577 57.434 54.840 0.028 0.000 0.770 53 L CB -0.901 41.218 42.059 0.100 0.000 0.914 53 L HN 0.312 nan 8.230 nan 0.000 0.439 54 T N 0.433 115.015 114.554 0.047 0.000 2.962 54 T HA -0.024 4.326 4.350 0.001 0.000 0.270 54 T C 0.990 175.626 174.700 -0.106 0.000 1.088 54 T CA 0.158 62.243 62.100 -0.024 0.000 1.127 54 T CB -0.462 68.509 68.868 0.172 0.000 0.883 54 T HN 0.132 nan 8.240 nan 0.000 0.493 55 L N 2.946 124.137 121.223 -0.053 0.000 2.559 55 L HA -0.010 4.330 4.340 0.001 0.000 0.274 55 L C 2.210 179.027 176.870 -0.088 0.000 1.205 55 L CA -0.195 54.619 54.840 -0.043 0.000 0.907 55 L CB 0.317 42.357 42.059 -0.032 0.000 1.153 55 L HN 0.350 nan 8.230 nan 0.000 0.490 56 T N -0.877 113.643 114.554 -0.057 0.000 2.721 56 T HA -0.274 4.077 4.350 0.001 0.000 0.268 56 T C 1.346 175.976 174.700 -0.117 0.000 1.038 56 T CA 1.622 63.669 62.100 -0.087 0.000 1.145 56 T CB -0.371 68.508 68.868 0.018 0.000 0.858 56 T HN 0.804 nan 8.240 nan 0.000 0.459 57 E N 1.212 121.353 120.200 -0.099 0.000 2.418 57 E HA -0.097 4.254 4.350 0.001 0.000 0.197 57 E C 1.660 178.181 176.600 -0.131 0.000 1.026 57 E CA 0.800 57.123 56.400 -0.129 0.000 0.862 57 E CB -0.158 29.472 29.700 -0.116 0.000 0.799 57 E HN 0.472 nan 8.360 nan 0.000 0.518 58 N N 0.577 119.204 118.700 -0.122 0.000 2.571 58 N HA -0.080 4.660 4.740 0.001 0.000 0.195 58 N C 1.690 177.119 175.510 -0.135 0.000 1.040 58 N CA 0.478 53.458 53.050 -0.116 0.000 0.890 58 N CB -0.250 38.183 38.487 -0.090 0.000 1.233 58 N HN 0.194 nan 8.380 nan 0.000 0.435 59 Q N 1.271 120.964 119.800 -0.179 0.000 2.112 59 Q HA -0.150 4.191 4.340 0.001 0.000 0.206 59 Q C 1.661 177.549 176.000 -0.187 0.000 0.987 59 Q CA 1.550 57.201 55.803 -0.253 0.000 0.858 59 Q CB 0.143 28.616 28.738 -0.441 0.000 0.905 59 Q HN 0.416 nan 8.270 nan 0.000 0.420 60 Q N -0.582 119.111 119.800 -0.178 0.000 2.046 60 Q HA -0.101 4.240 4.340 0.001 0.000 0.200 60 Q C -0.812 175.111 176.000 -0.128 0.000 0.975 60 Q CA 1.452 57.160 55.803 -0.159 0.000 0.836 60 Q CB -0.524 28.093 28.738 -0.203 0.000 0.896 60 Q HN 0.435 nan 8.270 nan 0.000 0.428 61 P HA -0.137 nan 4.420 nan 0.000 0.216 61 P C 0.849 178.111 177.300 -0.063 0.000 1.153 61 P CA 1.786 64.822 63.100 -0.107 0.000 0.848 61 P CB -0.099 31.531 31.700 -0.117 0.000 0.787 62 A N -0.405 122.374 122.820 -0.068 0.000 1.883 62 A HA -0.185 4.135 4.320 0.001 0.000 0.217 62 A C 2.248 179.842 177.584 0.017 0.000 1.186 62 A CA 1.600 53.613 52.037 -0.041 0.000 0.624 62 A CB -1.734 17.238 19.000 -0.047 0.000 0.822 62 A HN 0.115 nan 8.150 nan 0.000 0.444 63 L N -1.120 120.114 121.223 0.018 0.000 2.093 63 L HA -0.124 4.216 4.340 0.001 0.000 0.208 63 L C 2.603 179.538 176.870 0.109 0.000 1.085 63 L CA 1.199 56.082 54.840 0.072 0.000 0.755 63 L CB -0.386 41.702 42.059 0.048 0.000 0.904 63 L HN 0.514 nan 8.230 nan 0.000 0.435 64 L N -0.409 120.853 121.223 0.065 0.000 2.056 64 L HA -0.159 4.181 4.340 0.001 0.000 0.207 64 L C 2.718 179.667 176.870 0.131 0.000 1.078 64 L CA 1.464 56.352 54.840 0.081 0.000 0.749 64 L CB -0.268 41.802 42.059 0.018 0.000 0.901 64 L HN 0.183 nan 8.230 nan 0.000 0.433 65 A N -0.127 122.756 122.820 0.104 0.000 1.877 65 A HA -0.196 4.124 4.320 0.001 0.000 0.216 65 A C 2.433 180.137 177.584 0.200 0.000 1.186 65 A CA 1.844 53.967 52.037 0.143 0.000 0.620 65 A CB -1.108 17.933 19.000 0.067 0.000 0.822 65 A HN 0.579 nan 8.150 nan 0.000 0.443 66 A N -0.555 122.374 122.820 0.181 0.000 1.902 66 A HA 0.141 4.461 4.320 0.001 0.000 0.217 66 A C 2.428 180.188 177.584 0.294 0.000 1.181 66 A CA 1.970 54.140 52.037 0.222 0.000 0.623 66 A CB -1.441 17.675 19.000 0.194 0.000 0.818 66 A HN 0.734 nan 8.150 nan 0.000 0.443 67 G N -1.504 107.495 108.800 0.332 0.000 2.480 67 G HA2 -0.307 3.653 3.960 0.001 0.000 0.216 67 G HA3 -0.307 3.653 3.960 0.001 0.000 0.216 67 G C 1.577 176.810 174.900 0.555 0.000 1.200 67 G CA 1.329 46.734 45.100 0.508 0.000 0.782 67 G HN 0.515 nan 8.290 nan 0.000 0.554 68 Y N 2.245 122.690 120.300 0.242 0.000 2.224 68 Y HA 0.010 4.560 4.550 0.000 0.000 0.289 68 Y C 2.904 178.962 175.900 0.264 0.000 1.146 68 Y CA 0.875 59.100 58.100 0.208 0.000 1.182 68 Y CB -0.569 37.951 38.460 0.099 0.000 0.983 68 Y HN 0.258 nan 8.280 nan 0.000 0.524 69 A N 0.162 123.098 122.820 0.194 0.000 1.902 69 A HA -0.088 4.233 4.320 0.001 0.000 0.217 69 A C 2.491 180.153 177.584 0.131 0.000 1.181 69 A CA 1.968 54.062 52.037 0.095 0.000 0.623 69 A CB -1.442 17.668 19.000 0.182 0.000 0.818 69 A HN 0.529 nan 8.150 nan 0.000 0.443 70 A N -1.540 121.437 122.820 0.262 0.000 1.902 70 A HA -0.115 4.205 4.320 0.001 0.000 0.217 70 A C 2.158 179.954 177.584 0.353 0.000 1.181 70 A CA 1.716 53.955 52.037 0.338 0.000 0.623 70 A CB -0.830 18.437 19.000 0.446 0.000 0.818 70 A HN 0.726 nan 8.150 nan 0.000 0.443 71 Y N 0.550 120.903 120.300 0.088 0.000 2.145 71 Y HA -0.193 4.357 4.550 0.000 0.000 0.286 71 Y C 2.480 178.350 175.900 -0.051 0.000 1.145 71 Y CA 1.958 59.894 58.100 -0.274 0.000 1.148 71 Y CB -0.152 38.176 38.460 -0.220 0.000 0.981 71 Y HN 0.160 nan 8.280 nan 0.000 0.507 72 R N 0.387 120.763 120.500 -0.205 0.000 2.081 72 R HA -0.113 4.227 4.340 0.001 0.000 0.235 72 R C 2.492 178.700 176.300 -0.153 0.000 1.131 72 R CA 1.153 57.079 56.100 -0.291 0.000 0.960 72 R CB -1.445 28.634 30.300 -0.368 0.000 0.856 72 R HN 0.488 nan 8.270 nan 0.000 0.436 73 A N 0.623 123.423 122.820 -0.034 0.000 1.908 73 A HA -0.199 4.121 4.320 0.001 0.000 0.218 73 A C 2.107 179.720 177.584 0.049 0.000 1.181 73 A CA 1.414 53.465 52.037 0.025 0.000 0.627 73 A CB -0.749 18.309 19.000 0.096 0.000 0.818 73 A HN 0.365 nan 8.150 nan 0.000 0.445 74 F N 0.381 120.295 119.950 -0.060 0.000 2.146 74 F HA -0.107 4.421 4.527 0.000 0.000 0.298 74 F C 1.941 177.661 175.800 -0.134 0.000 1.096 74 F CA 1.634 59.610 58.000 -0.039 0.000 1.275 74 F CB -0.098 38.971 39.000 0.116 0.000 1.008 74 F HN 0.133 nan 8.300 nan 0.000 0.480 75 L N 0.097 121.125 121.223 -0.326 0.000 2.027 75 L HA -0.167 4.174 4.340 0.001 0.000 0.206 75 L C 2.474 179.181 176.870 -0.272 0.000 1.074 75 L CA 1.217 55.823 54.840 -0.389 0.000 0.745 75 L CB -0.849 40.997 42.059 -0.356 0.000 0.898 75 L HN 0.142 nan 8.230 nan 0.000 0.433 76 E N 0.524 120.609 120.200 -0.192 0.000 2.204 76 E HA -0.180 4.170 4.350 0.001 0.000 0.195 76 E C 1.941 178.461 176.600 -0.134 0.000 0.990 76 E CA 1.272 57.593 56.400 -0.132 0.000 0.821 76 E CB -0.105 29.538 29.700 -0.095 0.000 0.750 76 E HN 0.436 nan 8.360 nan 0.000 0.477 77 A N 0.047 122.767 122.820 -0.165 0.000 2.259 77 A HA 0.316 4.636 4.320 0.001 0.000 0.208 77 A C 1.587 179.050 177.584 -0.200 0.000 1.201 77 A CA 0.931 52.879 52.037 -0.149 0.000 0.824 77 A CB -0.229 18.704 19.000 -0.112 0.000 0.838 77 A HN 0.284 nan 8.150 nan 0.000 0.485 78 G N -1.946 106.708 108.800 -0.244 0.000 2.176 78 G HA2 -0.037 3.923 3.960 0.001 0.000 0.232 78 G HA3 -0.037 3.923 3.960 0.001 0.000 0.232 78 G C 0.730 175.415 174.900 -0.358 0.000 0.986 78 G CA 0.104 45.065 45.100 -0.232 0.000 0.643 78 G HN 1.405 nan 8.290 nan 0.000 0.522 79 G N 0.408 108.784 108.800 -0.706 0.000 2.554 79 G HA2 0.509 4.469 3.960 0.001 0.000 0.238 79 G HA3 0.509 4.469 3.960 0.001 0.000 0.238 79 G C 0.383 174.972 174.900 -0.518 0.000 1.259 79 G CA 0.355 44.732 45.100 -1.205 0.000 0.843 79 G HN 0.936 nan 8.290 nan 0.000 0.582 80 K N 2.298 122.641 120.400 -0.094 0.000 2.118 80 K HA 0.457 4.778 4.320 0.001 0.000 0.267 80 K C -2.571 174.304 176.600 0.458 0.000 0.991 80 K CA -1.769 54.624 56.287 0.176 0.000 0.916 80 K CB 1.797 34.424 32.500 0.212 0.000 1.041 80 K HN 0.238 nan 8.250 nan 0.000 0.455 81 P HA 0.071 nan 4.420 nan 0.000 0.269 81 P C -2.394 174.961 177.300 0.091 0.000 1.215 81 P CA -1.045 62.274 63.100 0.364 0.000 0.780 81 P CB -0.076 31.842 31.700 0.364 0.000 0.898 82 P HA 0.086 nan 4.420 nan 0.000 0.274 82 P C 0.314 177.230 177.300 -0.641 0.000 1.237 82 P CA -0.164 62.328 63.100 -1.015 0.000 0.793 82 P CB 0.696 31.774 31.700 -1.038 0.000 0.977 83 A N 2.614 125.113 122.820 -0.536 0.000 1.930 83 A HA 0.134 4.455 4.320 0.001 0.000 0.215 83 A C 1.078 178.548 177.584 -0.191 0.000 1.176 83 A CA 1.123 53.009 52.037 -0.251 0.000 0.632 83 A CB -0.433 18.452 19.000 -0.192 0.000 0.819 83 A HN 0.543 nan 8.150 nan 0.000 0.445 84 L N -2.280 118.783 121.223 -0.267 0.000 2.466 84 L HA 0.690 5.030 4.340 0.001 0.000 0.258 84 L C -0.633 176.165 176.870 -0.119 0.000 0.973 84 L CA -0.629 54.163 54.840 -0.081 0.000 0.826 84 L CB 2.283 44.383 42.059 0.069 0.000 1.372 84 L HN 0.149 nan 8.230 nan 0.000 0.409 85 A N 1.591 124.460 122.820 0.082 0.000 2.498 85 A HA 1.032 5.352 4.320 0.001 0.000 0.298 85 A C -1.286 176.470 177.584 0.287 0.000 1.075 85 A CA -0.146 51.982 52.037 0.152 0.000 0.714 85 A CB 2.145 21.277 19.000 0.220 0.000 1.299 85 A HN 0.916 nan 8.150 nan 0.000 0.407 86 A N -0.250 122.765 122.820 0.324 0.000 2.612 86 A HA 0.911 5.231 4.320 0.001 0.000 0.293 86 A C -0.315 177.619 177.584 0.583 0.000 1.075 86 A CA -0.057 52.208 52.037 0.380 0.000 0.680 86 A CB 1.396 20.485 19.000 0.149 0.000 1.279 86 A HN 2.305 nan 8.150 nan 0.000 0.411 87 G N -0.156 108.981 108.800 0.562 0.000 2.620 87 G HA2 0.533 4.493 3.960 0.001 0.000 0.301 87 G HA3 0.533 4.493 3.960 0.001 0.000 0.301 87 G C -1.251 173.834 174.900 0.308 0.000 1.347 87 G CA -0.417 44.970 45.100 0.479 0.000 0.971 87 G HN 0.816 nan 8.290 nan 0.000 0.488 88 H N 2.030 121.018 119.070 -0.137 0.000 2.934 88 H HA 0.338 4.895 4.556 0.001 0.000 0.273 88 H C 1.230 176.529 175.328 -0.048 0.000 1.121 88 H CA 1.268 57.117 56.048 -0.331 0.000 1.451 88 H CB 0.864 30.194 29.762 -0.720 0.000 1.469 88 H HN 0.795 nan 8.280 nan 0.000 0.476 89 S N 3.756 119.456 115.700 0.000 0.000 4.157 89 S HA -0.303 4.167 4.470 0.001 0.000 0.542 89 S C 1.799 176.591 174.600 0.319 0.000 1.864 89 S CA 1.400 59.728 58.200 0.213 0.000 4.245 89 S CB -1.253 62.157 63.200 0.349 0.000 0.266 89 S HN 0.644 nan 8.310 nan 0.000 0.457 90 L N 2.694 124.067 121.223 0.250 0.000 2.079 90 L HA 0.035 4.375 4.340 0.001 0.000 0.210 90 L C 2.517 179.568 176.870 0.302 0.000 1.081 90 L CA 3.112 58.084 54.840 0.220 0.000 0.752 90 L CB -2.139 39.948 42.059 0.046 0.000 0.896 90 L HN 0.823 nan 8.230 nan 0.000 0.433 91 G N -0.339 108.613 108.800 0.252 0.000 2.462 91 G HA2 -0.335 3.626 3.960 0.001 0.000 0.220 91 G HA3 -0.335 3.626 3.960 0.001 0.000 0.220 91 G C 1.456 176.540 174.900 0.306 0.000 1.121 91 G CA 0.813 46.087 45.100 0.289 0.000 0.758 91 G HN 0.625 nan 8.290 nan 0.000 0.559 92 E N -0.609 119.779 120.200 0.312 0.000 2.110 92 E HA -0.160 4.191 4.350 0.001 0.000 0.193 92 E C 2.073 178.787 176.600 0.191 0.000 0.988 92 E CA 0.925 57.470 56.400 0.241 0.000 0.804 92 E CB -0.199 29.621 29.700 0.200 0.000 0.745 92 E HN 0.662 nan 8.360 nan 0.000 0.458 93 W N 0.600 121.967 121.300 0.111 0.000 2.358 93 W HA -0.118 4.542 4.660 0.001 0.000 0.303 93 W C 2.551 179.036 176.519 -0.057 0.000 1.208 93 W CA 1.642 59.022 57.345 0.058 0.000 1.274 93 W CB -0.753 28.713 29.460 0.012 0.000 1.138 93 W HN 0.061 nan 8.180 nan 0.000 0.515 94 T N 0.094 114.711 114.554 0.106 0.000 2.746 94 T HA -0.197 4.153 4.350 0.001 0.000 0.267 94 T C 1.987 176.303 174.700 -0.640 0.000 1.039 94 T CA 1.841 63.803 62.100 -0.231 0.000 1.142 94 T CB -0.789 67.965 68.868 -0.191 0.000 0.866 94 T HN 0.189 nan 8.240 nan 0.000 0.444 95 A N 1.206 123.714 122.820 -0.519 0.000 1.933 95 A HA -0.170 4.150 4.320 0.001 0.000 0.218 95 A C 2.107 179.515 177.584 -0.293 0.000 1.175 95 A CA 1.282 53.062 52.037 -0.429 0.000 0.628 95 A CB -0.744 18.289 19.000 0.055 0.000 0.814 95 A HN 0.534 nan 8.150 nan 0.000 0.444 96 H N -0.901 118.071 119.070 -0.163 0.000 2.457 96 H HA -0.027 4.530 4.556 0.001 0.000 0.294 96 H C 2.224 177.416 175.328 -0.228 0.000 1.064 96 H CA 1.600 57.540 56.048 -0.180 0.000 1.330 96 H CB -0.051 29.590 29.762 -0.202 0.000 1.395 96 H HN 0.312 nan 8.280 nan 0.000 0.541 97 V N 0.811 120.620 119.914 -0.175 0.000 2.379 97 V HA -0.171 3.950 4.120 0.001 0.000 0.245 97 V C 2.766 178.653 176.094 -0.344 0.000 1.044 97 V CA 1.365 63.474 62.300 -0.320 0.000 1.036 97 V CB -0.838 30.692 31.823 -0.489 0.000 0.664 97 V HN 0.420 nan 8.190 nan 0.000 0.453 98 A N 0.009 122.660 122.820 -0.282 0.000 1.972 98 A HA -0.058 4.263 4.320 0.001 0.000 0.219 98 A C 2.278 179.848 177.584 -0.023 0.000 1.169 98 A CA 1.872 53.895 52.037 -0.023 0.000 0.635 98 A CB -0.560 18.210 19.000 -0.383 0.000 0.810 98 A HN 0.569 nan 8.150 nan 0.000 0.446 99 A N -2.027 120.608 122.820 -0.308 0.000 2.167 99 A HA 0.394 4.714 4.320 0.001 0.000 0.214 99 A C 1.862 179.170 177.584 -0.460 0.000 1.151 99 A CA 1.300 52.810 52.037 -0.878 0.000 0.735 99 A CB -0.782 17.715 19.000 -0.838 0.000 0.802 99 A HN 1.876 nan 8.150 nan 0.000 0.467 100 G N -2.049 106.615 108.800 -0.227 0.000 2.141 100 G HA2 -0.281 3.679 3.960 0.001 0.000 0.242 100 G HA3 -0.281 3.679 3.960 0.001 0.000 0.242 100 G C 0.875 175.708 174.900 -0.112 0.000 0.982 100 G CA 0.957 45.975 45.100 -0.137 0.000 0.662 100 G HN 0.441 nan 8.290 nan 0.000 0.527 101 T N -0.070 114.426 114.554 -0.097 0.000 2.746 101 T HA 0.236 4.586 4.350 0.001 0.000 0.267 101 T C 1.241 175.892 174.700 -0.082 0.000 1.039 101 T CA 1.582 63.644 62.100 -0.064 0.000 1.142 101 T CB -0.130 68.749 68.868 0.019 0.000 0.866 101 T HN 1.303 nan 8.240 nan 0.000 0.444 102 L N -1.456 119.720 121.223 -0.078 0.000 2.409 102 L HA 0.724 5.065 4.340 0.001 0.000 0.255 102 L C -1.278 175.547 176.870 -0.075 0.000 1.027 102 L CA -1.339 53.463 54.840 -0.063 0.000 0.834 102 L CB 2.168 44.203 42.059 -0.040 0.000 1.426 102 L HN -0.221 nan 8.230 nan 0.000 0.411 103 E N 0.608 120.775 120.200 -0.055 0.000 2.373 103 E HA 0.118 4.468 4.350 0.001 0.000 0.263 103 E C 0.476 177.025 176.600 -0.085 0.000 1.073 103 E CA -0.398 55.963 56.400 -0.064 0.000 0.894 103 E CB 1.862 31.546 29.700 -0.027 0.000 1.008 103 E HN 0.612 nan 8.360 nan 0.000 0.420 104 L N 2.619 123.770 121.223 -0.120 0.000 2.012 104 L HA -0.223 4.118 4.340 0.001 0.000 0.210 104 L C 1.700 178.543 176.870 -0.045 0.000 1.073 104 L CA 2.000 56.764 54.840 -0.127 0.000 0.748 104 L CB -0.255 41.758 42.059 -0.076 0.000 0.891 104 L HN 0.518 nan 8.230 nan 0.000 0.431 105 E N 0.176 120.367 120.200 -0.016 0.000 2.070 105 E HA -0.226 4.124 4.350 0.001 0.000 0.197 105 E C 1.990 178.579 176.600 -0.018 0.000 1.004 105 E CA 1.634 58.028 56.400 -0.010 0.000 0.805 105 E CB -0.423 29.277 29.700 -0.000 0.000 0.744 105 E HN 0.562 nan 8.360 nan 0.000 0.451 106 D N -0.276 120.117 120.400 -0.012 0.000 2.097 106 D HA -0.133 4.508 4.640 0.001 0.000 0.195 106 D C 1.858 178.163 176.300 0.007 0.000 0.989 106 D CA 1.568 55.568 54.000 0.000 0.000 0.827 106 D CB -0.384 40.424 40.800 0.014 0.000 0.966 106 D HN 0.208 nan 8.370 nan 0.000 0.456 107 A N 0.814 123.646 122.820 0.020 0.000 1.908 107 A HA -0.155 4.165 4.320 0.001 0.000 0.218 107 A C 2.464 180.012 177.584 -0.060 0.000 1.181 107 A CA 1.044 53.112 52.037 0.051 0.000 0.627 107 A CB -0.873 18.166 19.000 0.066 0.000 0.818 107 A HN 0.206 nan 8.150 nan 0.000 0.445 108 L N -1.132 120.053 121.223 -0.062 0.000 2.012 108 L HA -0.228 4.112 4.340 0.001 0.000 0.210 108 L C 2.931 179.726 176.870 -0.124 0.000 1.073 108 L CA 1.755 56.541 54.840 -0.088 0.000 0.748 108 L CB -0.445 41.581 42.059 -0.055 0.000 0.891 108 L HN 0.360 nan 8.230 nan 0.000 0.431 109 R N -0.333 120.108 120.500 -0.099 0.000 2.081 109 R HA -0.131 4.209 4.340 0.001 0.000 0.235 109 R C 2.308 178.506 176.300 -0.170 0.000 1.131 109 R CA 1.151 57.182 56.100 -0.114 0.000 0.960 109 R CB -0.373 29.884 30.300 -0.072 0.000 0.856 109 R HN 0.332 nan 8.270 nan 0.000 0.436 110 L N 0.628 121.748 121.223 -0.171 0.000 2.046 110 L HA -0.153 4.187 4.340 0.001 0.000 0.208 110 L C 2.456 179.039 176.870 -0.479 0.000 1.077 110 L CA 1.169 55.856 54.840 -0.256 0.000 0.747 110 L CB -0.463 41.501 42.059 -0.158 0.000 0.896 110 L HN 0.171 nan 8.230 nan 0.000 0.432 111 V N -2.596 117.003 119.914 -0.525 0.000 2.871 111 V HA -0.148 3.972 4.120 0.001 0.000 0.256 111 V C 2.479 178.338 176.094 -0.391 0.000 1.082 111 V CA 1.354 63.302 62.300 -0.587 0.000 1.105 111 V CB -0.764 30.734 31.823 -0.541 0.000 0.713 111 V HN 0.428 nan 8.190 nan 0.000 0.473 112 R N 0.366 120.680 120.500 -0.311 0.000 2.073 112 R HA 0.047 4.388 4.340 0.001 0.000 0.229 112 R C 2.195 178.290 176.300 -0.341 0.000 1.120 112 R CA 1.722 57.664 56.100 -0.263 0.000 0.967 112 R CB -0.424 29.754 30.300 -0.203 0.000 0.862 112 R HN 0.534 nan 8.270 nan 0.000 0.436 113 L N 0.397 121.360 121.223 -0.434 0.000 2.027 113 L HA -0.108 4.232 4.340 0.001 0.000 0.206 113 L C 2.925 179.270 176.870 -0.874 0.000 1.074 113 L CA 1.595 55.981 54.840 -0.758 0.000 0.745 113 L CB -0.514 41.119 42.059 -0.711 0.000 0.898 113 L HN 0.279 nan 8.230 nan 0.000 0.433 114 R N 0.252 120.440 120.500 -0.521 0.000 2.103 114 R HA -0.178 4.162 4.340 0.001 0.000 0.242 114 R C 2.211 178.397 176.300 -0.190 0.000 1.142 114 R CA 1.746 57.672 56.100 -0.290 0.000 0.960 114 R CB -0.535 29.538 30.300 -0.378 0.000 0.858 114 R HN 0.405 nan 8.270 nan 0.000 0.439 115 G N 0.350 109.012 108.800 -0.231 0.000 2.404 115 G HA2 -0.294 3.666 3.960 0.001 0.000 0.215 115 G HA3 -0.294 3.666 3.960 0.001 0.000 0.215 115 G C 1.502 176.354 174.900 -0.080 0.000 1.174 115 G CA 0.703 45.726 45.100 -0.128 0.000 0.780 115 G HN 0.343 nan 8.290 nan 0.000 0.537 116 R N -1.045 119.357 120.500 -0.163 0.000 2.073 116 R HA -0.120 4.221 4.340 0.001 0.000 0.234 116 R C 2.347 178.674 176.300 0.046 0.000 1.134 116 R CA 1.341 57.382 56.100 -0.098 0.000 0.952 116 R CB -0.425 29.764 30.300 -0.185 0.000 0.850 116 R HN 0.370 nan 8.270 nan 0.000 0.433 117 Y N 0.606 120.881 120.300 -0.041 0.000 2.128 117 Y HA -0.213 4.338 4.550 0.001 0.000 0.284 117 Y C 2.351 178.231 175.900 -0.033 0.000 1.154 117 Y CA 1.266 59.344 58.100 -0.036 0.000 1.149 117 Y CB -0.709 37.729 38.460 -0.036 0.000 0.976 117 Y HN 0.100 nan 8.280 nan 0.000 0.505 118 M N -0.597 119.096 119.600 0.154 0.000 2.159 118 M HA -0.245 4.235 4.480 0.001 0.000 0.263 118 M C 2.267 178.572 176.300 0.009 0.000 1.063 118 M CA 2.031 57.380 55.300 0.082 0.000 1.110 118 M CB -0.425 32.286 32.600 0.185 0.000 1.374 118 M HN 0.169 nan 8.290 nan 0.000 0.411 119 Q N 1.847 121.673 119.800 0.044 0.000 2.124 119 Q HA -0.199 4.141 4.340 0.001 0.000 0.202 119 Q C 1.259 177.250 176.000 -0.015 0.000 0.977 119 Q CA 2.048 57.857 55.803 0.010 0.000 0.850 119 Q CB -0.256 28.496 28.738 0.023 0.000 0.901 119 Q HN 0.703 nan 8.270 nan 0.000 0.429 120 E N -1.284 118.923 120.200 0.013 0.000 2.476 120 E HA 0.297 4.648 4.350 0.001 0.000 0.196 120 E C 1.424 178.011 176.600 -0.020 0.000 1.029 120 E CA 0.343 56.743 56.400 0.001 0.000 0.896 120 E CB 0.087 29.803 29.700 0.026 0.000 1.012 120 E HN 0.327 nan 8.360 nan 0.000 0.475 121 A N 1.775 124.575 122.820 -0.034 0.000 1.849 121 A HA -0.067 4.253 4.320 0.001 0.000 0.217 121 A C 1.364 178.910 177.584 -0.064 0.000 1.202 121 A CA 1.140 53.145 52.037 -0.054 0.000 0.629 121 A CB -0.475 18.481 19.000 -0.073 0.000 0.834 121 A HN 0.150 nan 8.150 nan 0.000 0.447 122 V N 0.622 120.485 119.914 -0.086 0.000 2.547 122 V HA 0.367 4.488 4.120 0.001 0.000 0.299 122 V C -2.456 173.598 176.094 -0.067 0.000 1.040 122 V CA -1.734 60.519 62.300 -0.079 0.000 0.913 122 V CB 1.183 32.945 31.823 -0.102 0.000 0.992 122 V HN 0.232 nan 8.190 nan 0.000 0.449 123 P HA 0.059 nan 4.420 nan 0.000 0.265 123 P C -0.371 176.905 177.300 -0.040 0.000 1.193 123 P CA -0.103 62.974 63.100 -0.037 0.000 0.765 123 P CB 0.309 31.992 31.700 -0.027 0.000 0.823 124 V N 3.818 123.712 119.914 -0.033 0.000 2.486 124 V HA 0.171 4.291 4.120 0.001 0.000 0.290 124 V C 1.615 177.697 176.094 -0.021 0.000 0.991 124 V CA 2.215 64.497 62.300 -0.030 0.000 1.142 124 V CB -0.659 31.154 31.823 -0.018 0.000 0.926 124 V HN 1.073 nan 8.190 nan 0.000 0.472 125 G N 4.052 112.838 108.800 -0.024 0.000 2.284 125 G HA2 -0.164 3.797 3.960 0.001 0.000 0.201 125 G HA3 -0.164 3.797 3.960 0.001 0.000 0.201 125 G C 0.505 175.399 174.900 -0.010 0.000 0.998 125 G CA 0.165 45.259 45.100 -0.009 0.000 0.651 125 G HN 0.625 nan 8.290 nan 0.000 0.489 126 E N 0.401 120.586 120.200 -0.024 0.000 2.474 126 E HA 0.362 4.712 4.350 0.001 0.000 0.194 126 E C 1.233 177.812 176.600 -0.035 0.000 1.041 126 E CA 0.389 56.776 56.400 -0.022 0.000 0.874 126 E CB 0.858 30.543 29.700 -0.026 0.000 0.914 126 E HN 0.499 nan 8.360 nan 0.000 0.498 127 G N 0.599 109.365 108.800 -0.057 0.000 2.481 127 G HA2 0.681 4.641 3.960 0.001 0.000 0.315 127 G HA3 0.681 4.641 3.960 0.001 0.000 0.315 127 G C -1.261 173.583 174.900 -0.093 0.000 1.231 127 G CA -0.272 44.777 45.100 -0.085 0.000 0.968 127 G HN 0.123 nan 8.290 nan 0.000 0.482 128 A N 0.864 123.615 122.820 -0.114 0.000 2.594 128 A HA 0.904 5.224 4.320 0.001 0.000 0.291 128 A C -0.925 176.528 177.584 -0.218 0.000 1.105 128 A CA -0.693 51.232 52.037 -0.187 0.000 0.694 128 A CB 2.079 20.962 19.000 -0.194 0.000 1.291 128 A HN 1.221 nan 8.150 nan 0.000 0.410 129 M N 0.508 119.913 119.600 -0.325 0.000 2.470 129 M HA 0.746 5.226 4.480 0.001 0.000 0.285 129 M C -1.548 174.541 176.300 -0.352 0.000 1.213 129 M CA -0.328 54.843 55.300 -0.214 0.000 0.901 129 M CB 2.201 34.783 32.600 -0.030 0.000 1.718 129 M HN 1.716 nan 8.290 nan 0.000 0.469 130 A N 2.439 125.152 122.820 -0.179 0.000 2.517 130 A HA 0.893 5.214 4.320 0.001 0.000 0.297 130 A C -1.509 176.082 177.584 0.011 0.000 1.050 130 A CA -0.458 51.518 52.037 -0.102 0.000 0.694 130 A CB 1.439 20.429 19.000 -0.016 0.000 1.277 130 A HN 1.124 nan 8.150 nan 0.000 0.400 131 A N 1.189 124.030 122.820 0.036 0.000 2.301 131 A HA 0.685 5.005 4.320 0.001 0.000 0.312 131 A C -0.584 177.035 177.584 0.058 0.000 1.182 131 A CA -0.398 51.665 52.037 0.043 0.000 0.826 131 A CB 0.655 19.673 19.000 0.029 0.000 1.134 131 A HN 1.375 nan 8.150 nan 0.000 0.501 132 V N 4.092 124.038 119.914 0.053 0.000 2.407 132 V HA 0.482 4.602 4.120 0.001 0.000 0.291 132 V C -0.311 175.808 176.094 0.041 0.000 1.018 132 V CA -0.228 62.105 62.300 0.053 0.000 0.842 132 V CB 0.799 32.656 31.823 0.057 0.000 0.996 132 V HN 0.838 nan 8.190 nan 0.000 0.426 133 L N 3.255 124.500 121.223 0.036 0.000 2.271 133 L HA 0.825 5.166 4.340 0.001 0.000 0.265 133 L C 0.655 177.540 176.870 0.024 0.000 1.013 133 L CA -1.023 53.833 54.840 0.027 0.000 0.820 133 L CB 1.007 43.079 42.059 0.021 0.000 1.352 133 L HN 0.332 nan 8.230 nan 0.000 0.443 134 K N -1.198 119.213 120.400 0.019 0.000 3.553 134 K HA -0.103 4.217 4.320 0.001 0.000 0.303 134 K C -0.761 175.849 176.600 0.017 0.000 1.327 134 K CA 0.944 57.240 56.287 0.016 0.000 0.983 134 K CB -1.866 30.643 32.500 0.015 0.000 1.275 134 K HN 0.644 nan 8.250 nan 0.000 0.453 135 L N 1.325 122.560 121.223 0.020 0.000 2.401 135 L HA 0.455 4.796 4.340 0.001 0.000 0.266 135 L C -2.207 174.676 176.870 0.021 0.000 0.991 135 L CA -2.008 52.844 54.840 0.020 0.000 0.818 135 L CB 2.571 44.644 42.059 0.023 0.000 1.321 135 L HN -0.222 nan 8.230 nan 0.000 0.413 136 P HA 0.038 nan 4.420 nan 0.000 0.274 136 P C 0.574 177.887 177.300 0.021 0.000 1.231 136 P CA -0.537 62.573 63.100 0.018 0.000 0.790 136 P CB 1.517 33.226 31.700 0.014 0.000 0.951 137 L N 2.822 124.058 121.223 0.022 0.000 2.013 137 L HA -0.249 4.091 4.340 0.001 0.000 0.212 137 L C 2.501 179.385 176.870 0.023 0.000 1.073 137 L CA 2.131 56.986 54.840 0.025 0.000 0.753 137 L CB -1.382 40.693 42.059 0.026 0.000 0.890 137 L HN 0.523 nan 8.230 nan 0.000 0.432 138 E N -0.690 119.521 120.200 0.019 0.000 2.065 138 E HA -0.331 4.019 4.350 0.001 0.000 0.201 138 E C 1.872 178.483 176.600 0.019 0.000 1.016 138 E CA 2.061 58.472 56.400 0.018 0.000 0.818 138 E CB -0.914 28.795 29.700 0.015 0.000 0.749 138 E HN 0.711 nan 8.360 nan 0.000 0.453 139 E N 0.638 120.849 120.200 0.019 0.000 2.110 139 E HA -0.137 4.213 4.350 0.001 0.000 0.193 139 E C 2.328 178.942 176.600 0.023 0.000 0.988 139 E CA 1.155 57.567 56.400 0.019 0.000 0.804 139 E CB -0.182 29.529 29.700 0.018 0.000 0.745 139 E HN 0.384 nan 8.360 nan 0.000 0.458 140 I N 1.097 121.683 120.570 0.026 0.000 2.252 140 I HA -0.303 3.867 4.170 0.001 0.000 0.245 140 I C 2.480 178.616 176.117 0.031 0.000 1.102 140 I CA 1.198 62.517 61.300 0.031 0.000 1.385 140 I CB -0.235 37.786 38.000 0.035 0.000 1.064 140 I HN 0.105 nan 8.210 nan 0.000 0.414 141 Q N 0.831 120.648 119.800 0.028 0.000 2.061 141 Q HA -0.249 4.092 4.340 0.001 0.000 0.204 141 Q C 2.215 178.230 176.000 0.024 0.000 0.984 141 Q CA 1.657 57.476 55.803 0.027 0.000 0.846 141 Q CB -0.157 28.595 28.738 0.024 0.000 0.902 141 Q HN 0.463 nan 8.270 nan 0.000 0.421 142 K N 0.579 120.992 120.400 0.022 0.000 2.001 142 K HA -0.171 4.149 4.320 0.001 0.000 0.214 142 K C 2.173 178.785 176.600 0.021 0.000 1.050 142 K CA 1.364 57.663 56.287 0.019 0.000 0.934 142 K CB -0.383 32.127 32.500 0.017 0.000 0.718 142 K HN 0.172 nan 8.250 nan 0.000 0.443 143 A N 1.276 124.110 122.820 0.022 0.000 2.084 143 A HA -0.142 4.179 4.320 0.001 0.000 0.221 143 A C 2.026 179.626 177.584 0.027 0.000 1.161 143 A CA 1.332 53.383 52.037 0.024 0.000 0.653 143 A CB -0.577 18.439 19.000 0.027 0.000 0.802 143 A HN 0.217 nan 8.150 nan 0.000 0.457 144 L N -0.480 120.760 121.223 0.029 0.000 2.418 144 L HA 0.009 4.349 4.340 0.001 0.000 0.218 144 L C 0.356 177.242 176.870 0.027 0.000 1.125 144 L CA -0.093 54.766 54.840 0.031 0.000 0.835 144 L CB -0.278 41.802 42.059 0.034 0.000 0.953 144 L HN 0.432 nan 8.230 nan 0.000 0.454 145 E N 0.266 120.479 120.200 0.023 0.000 2.465 145 E HA 0.103 4.453 4.350 0.001 0.000 0.260 145 E C 1.083 177.695 176.600 0.019 0.000 0.980 145 E CA 0.649 57.061 56.400 0.020 0.000 0.927 145 E CB 0.314 30.024 29.700 0.017 0.000 0.934 145 E HN 0.329 nan 8.360 nan 0.000 0.459 146 G N 2.294 111.104 108.800 0.018 0.000 2.195 146 G HA2 -0.278 3.682 3.960 0.001 0.000 0.246 146 G HA3 -0.278 3.682 3.960 0.001 0.000 0.246 146 G C -0.036 174.875 174.900 0.018 0.000 0.984 146 G CA -0.230 44.880 45.100 0.016 0.000 0.633 146 G HN 0.323 nan 8.290 nan 0.000 0.525 147 L N 0.965 122.201 121.223 0.021 0.000 2.326 147 L HA 0.608 4.949 4.340 0.001 0.000 0.278 147 L C 1.366 178.250 176.870 0.023 0.000 1.092 147 L CA 0.121 54.975 54.840 0.024 0.000 0.810 147 L CB 1.360 43.437 42.059 0.030 0.000 1.153 147 L HN 0.345 nan 8.230 nan 0.000 0.439 148 E N 2.392 122.604 120.200 0.021 0.000 2.002 148 E HA -0.023 4.327 4.350 0.001 0.000 0.196 148 E C 1.088 177.699 176.600 0.018 0.000 0.974 148 E CA 1.059 57.470 56.400 0.018 0.000 0.853 148 E CB -0.191 29.518 29.700 0.015 0.000 0.808 148 E HN 0.766 nan 8.360 nan 0.000 0.492 149 G N 0.852 109.662 108.800 0.017 0.000 3.709 149 G HA2 0.270 4.230 3.960 0.001 0.000 0.272 149 G HA3 0.270 4.230 3.960 0.001 0.000 0.272 149 G C -0.957 173.953 174.900 0.017 0.000 1.259 149 G CA -0.201 44.907 45.100 0.014 0.000 1.512 149 G HN 0.134 nan 8.290 nan 0.000 0.625 150 V N -0.167 119.761 119.914 0.024 0.000 2.540 150 V HA 0.694 4.814 4.120 0.001 0.000 0.302 150 V C -1.002 175.111 176.094 0.033 0.000 1.035 150 V CA -0.768 61.550 62.300 0.030 0.000 0.873 150 V CB 1.943 33.789 31.823 0.039 0.000 0.992 150 V HN 0.472 nan 8.190 nan 0.000 0.428 151 E N 5.433 125.656 120.200 0.037 0.000 2.416 151 E HA 0.518 4.868 4.350 0.001 0.000 0.273 151 E C -1.289 175.343 176.600 0.053 0.000 0.935 151 E CA -1.013 55.413 56.400 0.044 0.000 0.784 151 E CB 2.232 31.960 29.700 0.047 0.000 1.301 151 E HN 0.486 nan 8.360 nan 0.000 0.454 152 I N 2.227 122.829 120.570 0.054 0.000 2.421 152 I HA 0.083 4.253 4.170 0.001 0.000 0.291 152 I C 0.778 176.938 176.117 0.073 0.000 1.089 152 I CA 0.556 61.891 61.300 0.058 0.000 1.354 152 I CB 0.299 38.329 38.000 0.050 0.000 1.413 152 I HN 0.731 nan 8.210 nan 0.000 0.513 153 A N 6.846 129.719 122.820 0.088 0.000 1.973 153 A HA 0.169 4.490 4.320 0.001 0.000 0.210 153 A C 0.755 178.378 177.584 0.066 0.000 1.200 153 A CA 0.434 52.545 52.037 0.124 0.000 0.707 153 A CB 0.031 19.139 19.000 0.181 0.000 0.862 153 A HN 0.757 nan 8.150 nan 0.000 0.461 154 N N -0.412 118.326 118.700 0.063 0.000 2.235 154 N HA 0.513 5.254 4.740 0.001 0.000 0.293 154 N C -1.755 173.800 175.510 0.074 0.000 1.083 154 N CA -0.683 52.396 53.050 0.049 0.000 0.801 154 N CB 1.966 40.518 38.487 0.109 0.000 1.559 154 N HN -0.063 nan 8.380 nan 0.000 0.472 155 L N 2.988 124.263 121.223 0.088 0.000 2.435 155 L HA 0.343 4.683 4.340 0.001 0.000 0.253 155 L C 0.362 177.337 176.870 0.176 0.000 1.087 155 L CA -0.263 54.638 54.840 0.100 0.000 0.950 155 L CB 0.264 42.368 42.059 0.074 0.000 1.304 155 L HN 0.621 nan 8.230 nan 0.000 0.453 156 N N 1.336 120.143 118.700 0.178 0.000 2.305 156 N HA 0.143 4.883 4.740 0.001 0.000 0.179 156 N C 0.693 176.333 175.510 0.218 0.000 1.019 156 N CA 0.582 53.779 53.050 0.245 0.000 0.869 156 N CB 1.037 39.602 38.487 0.131 0.000 1.000 156 N HN 0.544 nan 8.380 nan 0.000 0.431 157 A N -0.298 122.592 122.820 0.116 0.000 2.593 157 A HA 0.585 4.905 4.320 0.001 0.000 0.290 157 A C -2.059 175.552 177.584 0.045 0.000 1.126 157 A CA -1.111 50.969 52.037 0.072 0.000 0.695 157 A CB 0.828 19.858 19.000 0.050 0.000 1.290 157 A HN -0.199 nan 8.150 nan 0.000 0.414 158 P HA -0.153 nan 4.420 nan 0.000 0.216 158 P C 0.404 177.717 177.300 0.021 0.000 1.157 158 P CA 1.639 64.750 63.100 0.017 0.000 0.880 158 P CB 0.296 31.999 31.700 0.006 0.000 0.791 159 E N -1.259 118.954 120.200 0.021 0.000 2.736 159 E HA 0.147 4.498 4.350 0.001 0.000 0.208 159 E C -0.110 176.506 176.600 0.026 0.000 0.996 159 E CA 0.005 56.418 56.400 0.022 0.000 1.104 159 E CB 0.239 29.948 29.700 0.016 0.000 1.111 159 E HN 0.397 nan 8.360 nan 0.000 0.455 160 Q N 0.718 120.538 119.800 0.034 0.000 2.414 160 Q HA 0.314 4.655 4.340 0.001 0.000 0.256 160 Q C -0.981 175.048 176.000 0.049 0.000 0.974 160 Q CA -0.186 55.639 55.803 0.036 0.000 0.723 160 Q CB 2.260 31.017 28.738 0.031 0.000 1.281 160 Q HN -0.053 nan 8.270 nan 0.000 0.470 161 T N 1.016 115.598 114.554 0.048 0.000 2.893 161 T HA 0.515 4.865 4.350 0.001 0.000 0.293 161 T C -0.607 174.127 174.700 0.056 0.000 1.027 161 T CA -0.483 61.651 62.100 0.056 0.000 0.988 161 T CB 1.890 70.789 68.868 0.051 0.000 1.043 161 T HN 0.188 nan 8.240 nan 0.000 0.461 162 V N 4.264 124.217 119.914 0.064 0.000 2.459 162 V HA 0.628 4.749 4.120 0.001 0.000 0.295 162 V C -0.002 176.133 176.094 0.068 0.000 1.029 162 V CA -0.872 61.467 62.300 0.065 0.000 0.874 162 V CB 1.246 33.117 31.823 0.080 0.000 0.985 162 V HN 0.812 nan 8.190 nan 0.000 0.438 163 I N 2.416 123.020 120.570 0.057 0.000 2.797 163 I HA 1.024 5.194 4.170 0.001 0.000 0.307 163 I C -0.161 175.979 176.117 0.037 0.000 1.033 163 I CA -0.385 60.947 61.300 0.053 0.000 1.071 163 I CB 2.451 40.482 38.000 0.051 0.000 1.255 163 I HN 0.684 nan 8.210 nan 0.000 0.445 164 S N 2.096 117.818 115.700 0.037 0.000 2.615 164 S HA 1.005 5.475 4.470 0.001 0.000 0.269 164 S C -0.402 174.200 174.600 0.005 0.000 1.161 164 S CA -0.129 58.077 58.200 0.011 0.000 0.817 164 S CB 1.408 64.635 63.200 0.045 0.000 1.131 164 S HN 1.815 nan 8.310 nan 0.000 0.467 165 G N 0.779 109.565 108.800 -0.024 0.000 2.403 165 G HA2 0.252 4.212 3.960 0.001 0.000 0.223 165 G HA3 0.252 4.212 3.960 0.001 0.000 0.223 165 G C -1.639 173.245 174.900 -0.028 0.000 1.287 165 G CA -1.114 43.975 45.100 -0.018 0.000 0.982 165 G HN 0.807 nan 8.290 nan 0.000 0.471 166 R N 0.626 121.120 120.500 -0.010 0.000 2.570 166 R HA 0.248 4.588 4.340 0.001 0.000 0.277 166 R C 1.859 178.165 176.300 0.010 0.000 1.039 166 R CA 0.209 56.306 56.100 -0.005 0.000 1.065 166 R CB 0.783 31.087 30.300 0.005 0.000 0.964 166 R HN 0.620 nan 8.270 nan 0.000 0.428 167 R N 2.376 122.883 120.500 0.012 0.000 2.097 167 R HA -0.289 4.052 4.340 0.001 0.000 0.236 167 R C 1.434 177.790 176.300 0.093 0.000 1.135 167 R CA 2.256 58.384 56.100 0.047 0.000 0.934 167 R CB 0.017 30.345 30.300 0.046 0.000 0.846 167 R HN 0.594 nan 8.270 nan 0.000 0.431 168 Q N -0.005 119.834 119.800 0.065 0.000 2.135 168 Q HA -0.101 4.239 4.340 0.001 0.000 0.204 168 Q C 2.030 178.071 176.000 0.069 0.000 0.981 168 Q CA 1.995 57.836 55.803 0.064 0.000 0.856 168 Q CB -0.295 28.466 28.738 0.039 0.000 0.902 168 Q HN 0.494 nan 8.270 nan 0.000 0.425 169 A N 0.100 122.954 122.820 0.058 0.000 1.873 169 A HA -0.126 4.194 4.320 0.001 0.000 0.215 169 A C 2.339 179.973 177.584 0.083 0.000 1.186 169 A CA 1.434 53.504 52.037 0.056 0.000 0.616 169 A CB -0.843 18.180 19.000 0.038 0.000 0.823 169 A HN 0.217 nan 8.150 nan 0.000 0.442 170 V N 0.365 120.337 119.914 0.098 0.000 2.332 170 V HA -0.318 3.802 4.120 0.001 0.000 0.248 170 V C 2.407 178.672 176.094 0.285 0.000 1.055 170 V CA 2.399 64.783 62.300 0.140 0.000 1.038 170 V CB -1.004 30.853 31.823 0.057 0.000 0.651 170 V HN 0.636 nan 8.190 nan 0.000 0.450 171 E N -0.001 120.389 120.200 0.317 0.000 2.038 171 E HA -0.261 4.090 4.350 0.001 0.000 0.195 171 E C 2.274 178.930 176.600 0.093 0.000 1.000 171 E CA 1.666 58.204 56.400 0.230 0.000 0.803 171 E CB -0.231 29.538 29.700 0.115 0.000 0.750 171 E HN 0.699 nan 8.360 nan 0.000 0.448 172 E N 0.561 120.806 120.200 0.075 0.000 2.097 172 E HA -0.232 4.118 4.350 0.001 0.000 0.196 172 E C 2.109 178.739 176.600 0.051 0.000 1.000 172 E CA 1.007 57.433 56.400 0.043 0.000 0.804 172 E CB -0.191 29.532 29.700 0.038 0.000 0.740 172 E HN 0.244 nan 8.360 nan 0.000 0.454 173 A N 1.564 124.430 122.820 0.077 0.000 1.933 173 A HA -0.089 4.231 4.320 0.001 0.000 0.218 173 A C 2.414 180.049 177.584 0.084 0.000 1.175 173 A CA 1.620 53.702 52.037 0.075 0.000 0.628 173 A CB -0.597 18.453 19.000 0.083 0.000 0.814 173 A HN 0.293 nan 8.150 nan 0.000 0.444 174 A N 0.235 123.130 122.820 0.125 0.000 1.865 174 A HA -0.214 4.106 4.320 0.001 0.000 0.217 174 A C 1.889 179.493 177.584 0.034 0.000 1.191 174 A CA 1.724 53.833 52.037 0.119 0.000 0.623 174 A CB -0.698 18.401 19.000 0.167 0.000 0.826 174 A HN 0.643 nan 8.150 nan 0.000 0.444 175 E N -0.423 119.775 120.200 -0.002 0.000 2.085 175 E HA -0.226 4.124 4.350 0.001 0.000 0.194 175 E C 2.289 178.889 176.600 0.001 0.000 0.994 175 E CA 1.301 57.689 56.400 -0.020 0.000 0.801 175 E CB -0.247 29.436 29.700 -0.029 0.000 0.743 175 E HN 0.543 nan 8.360 nan 0.000 0.453 176 R N 0.430 120.939 120.500 0.016 0.000 2.092 176 R HA -0.057 4.284 4.340 0.001 0.000 0.231 176 R C 2.494 178.807 176.300 0.022 0.000 1.119 176 R CA 0.841 56.952 56.100 0.018 0.000 0.970 176 R CB -0.265 30.050 30.300 0.024 0.000 0.864 176 R HN 0.191 nan 8.270 nan 0.000 0.440 177 L N 0.781 122.023 121.223 0.031 0.000 2.056 177 L HA -0.159 4.181 4.340 0.001 0.000 0.207 177 L C 2.299 179.184 176.870 0.026 0.000 1.078 177 L CA 1.443 56.303 54.840 0.034 0.000 0.749 177 L CB -0.345 41.745 42.059 0.050 0.000 0.901 177 L HN 0.111 nan 8.230 nan 0.000 0.433 178 K N 0.258 120.671 120.400 0.021 0.000 2.032 178 K HA -0.218 4.102 4.320 0.001 0.000 0.209 178 K C 1.972 178.577 176.600 0.007 0.000 1.048 178 K CA 1.662 57.956 56.287 0.012 0.000 0.927 178 K CB -0.212 32.287 32.500 -0.002 0.000 0.712 178 K HN 0.333 nan 8.250 nan 0.000 0.441 179 E N 0.618 120.821 120.200 0.005 0.000 2.130 179 E HA -0.172 4.178 4.350 0.001 0.000 0.196 179 E C 1.121 177.725 176.600 0.007 0.000 0.998 179 E CA 0.918 57.320 56.400 0.004 0.000 0.806 179 E CB -0.009 29.693 29.700 0.003 0.000 0.738 179 E HN 0.206 nan 8.360 nan 0.000 0.459 180 R N 0.869 121.376 120.500 0.012 0.000 3.298 180 R HA 0.128 4.468 4.340 0.001 0.000 0.249 180 R C -0.179 176.128 176.300 0.013 0.000 1.563 180 R CA -0.126 55.981 56.100 0.013 0.000 1.378 180 R CB 0.176 30.486 30.300 0.016 0.000 1.250 180 R HN -0.019 nan 8.270 nan 0.000 0.580 181 R N -1.351 119.156 120.500 0.011 0.000 3.758 181 R HA -0.180 4.161 4.340 0.001 0.000 0.299 181 R C -0.515 175.793 176.300 0.014 0.000 1.182 181 R CA 0.967 57.073 56.100 0.010 0.000 0.809 181 R CB -2.498 27.807 30.300 0.009 0.000 1.249 181 R HN 0.450 nan 8.270 nan 0.000 0.497 182 A N 0.395 123.225 122.820 0.018 0.000 2.295 182 A HA 0.762 5.083 4.320 0.001 0.000 0.318 182 A C 0.152 177.751 177.584 0.025 0.000 1.134 182 A CA -0.529 51.522 52.037 0.023 0.000 0.827 182 A CB 1.000 20.018 19.000 0.030 0.000 1.136 182 A HN 0.142 nan 8.150 nan 0.000 0.493 183 R N 0.013 120.530 120.500 0.028 0.000 2.428 183 R HA 0.647 4.987 4.340 0.001 0.000 0.294 183 R C -1.292 175.035 176.300 0.045 0.000 1.000 183 R CA -0.064 56.054 56.100 0.030 0.000 0.960 183 R CB 1.344 31.658 30.300 0.024 0.000 1.076 183 R HN 0.463 nan 8.270 nan 0.000 0.475 184 V N 3.813 123.761 119.914 0.057 0.000 2.733 184 V HA 0.339 4.459 4.120 0.001 0.000 0.306 184 V C -0.958 175.200 176.094 0.108 0.000 1.084 184 V CA -0.913 61.441 62.300 0.089 0.000 0.905 184 V CB 2.356 34.254 31.823 0.125 0.000 1.010 184 V HN 0.450 nan 8.190 nan 0.000 0.424 185 V N 5.281 125.258 119.914 0.106 0.000 2.304 185 V HA 0.373 4.494 4.120 0.001 0.000 0.269 185 V C -0.492 175.694 176.094 0.154 0.000 1.036 185 V CA -0.259 62.105 62.300 0.107 0.000 0.840 185 V CB 0.728 32.587 31.823 0.059 0.000 1.036 185 V HN 0.676 nan 8.190 nan 0.000 0.466 186 F N 6.092 126.057 119.950 0.025 0.000 2.410 186 F HA 0.593 5.120 4.527 0.000 0.000 0.349 186 F C -0.097 175.723 175.800 0.033 0.000 1.117 186 F CA -0.743 57.275 58.000 0.030 0.000 1.104 186 F CB 1.071 40.085 39.000 0.024 0.000 1.122 186 F HN 0.273 nan 8.300 nan 0.000 0.483 187 L N 9.354 130.413 121.223 -0.275 0.000 2.283 187 L HA 0.306 4.647 4.340 0.001 0.000 0.281 187 L C -1.578 175.140 176.870 -0.253 0.000 1.033 187 L CA -1.673 53.092 54.840 -0.124 0.000 0.848 187 L CB 1.239 43.243 42.059 -0.092 0.000 1.226 187 L HN 0.511 nan 8.230 nan 0.000 0.429 188 P HA -0.113 nan 4.420 nan 0.000 0.218 188 P C 0.443 177.793 177.300 0.083 0.000 1.149 188 P CA 0.977 64.247 63.100 0.283 0.000 0.817 188 P CB 0.569 32.467 31.700 0.331 0.000 0.785 189 V N -0.221 119.711 119.914 0.030 0.000 2.398 189 V HA 0.477 4.598 4.120 0.001 0.000 0.282 189 V C -0.241 175.841 176.094 -0.020 0.000 1.014 189 V CA -0.346 61.956 62.300 0.004 0.000 0.838 189 V CB 1.171 33.007 31.823 0.022 0.000 1.018 189 V HN 0.126 nan 8.190 nan 0.000 0.432 190 S N 3.592 119.254 115.700 -0.065 0.000 2.537 190 S HA 0.788 5.259 4.470 0.001 0.000 0.271 190 S C -0.315 174.154 174.600 -0.219 0.000 1.148 190 S CA 0.102 58.254 58.200 -0.079 0.000 0.868 190 S CB 1.822 65.017 63.200 -0.009 0.000 1.115 190 S HN 1.379 nan 8.310 nan 0.000 0.461 191 A N 4.193 126.768 122.820 -0.409 0.000 2.540 191 A HA 0.451 4.772 4.320 0.001 0.000 0.239 191 A C -2.128 174.976 177.584 -0.801 0.000 1.061 191 A CA -0.798 50.825 52.037 -0.691 0.000 0.758 191 A CB -0.320 18.035 19.000 -1.075 0.000 0.991 191 A HN 0.628 nan 8.150 nan 0.000 0.502 192 P HA 0.147 nan 4.420 nan 0.000 0.226 192 P C -0.672 176.503 177.300 -0.209 0.000 1.783 192 P CA -0.125 62.818 63.100 -0.262 0.000 0.980 192 P CB -0.732 30.878 31.700 -0.150 0.000 1.967 193 F N 1.382 121.315 119.950 -0.029 0.000 2.635 193 F HA -0.094 4.433 4.527 0.000 0.000 0.379 193 F C 1.831 177.642 175.800 0.018 0.000 1.094 193 F CA 0.729 58.694 58.000 -0.059 0.000 1.300 193 F CB -0.506 38.485 39.000 -0.016 0.000 1.035 193 F HN 0.386 nan 8.300 nan 0.000 0.581 194 H N -0.014 119.187 119.070 0.218 0.000 2.692 194 H HA -0.172 4.385 4.556 0.001 0.000 0.316 194 H C 0.030 175.410 175.328 0.086 0.000 1.176 194 H CA 0.516 56.645 56.048 0.136 0.000 1.142 194 H CB -1.468 28.372 29.762 0.130 0.000 1.475 194 H HN 0.591 nan 8.280 nan 0.000 0.423 195 S N -1.760 114.003 115.700 0.105 0.000 2.632 195 S HA 0.481 4.951 4.470 0.001 0.000 0.289 195 S C 1.384 176.007 174.600 0.038 0.000 1.115 195 S CA -0.205 58.035 58.200 0.067 0.000 0.889 195 S CB 2.243 65.462 63.200 0.032 0.000 1.116 195 S HN 0.221 nan 8.310 nan 0.000 0.486 196 S N 0.896 116.615 115.700 0.031 0.000 2.440 196 S HA -0.076 4.394 4.470 0.001 0.000 0.238 196 S C 1.570 176.170 174.600 0.000 0.000 1.010 196 S CA 0.864 59.075 58.200 0.019 0.000 0.972 196 S CB -1.009 62.201 63.200 0.017 0.000 0.774 196 S HN 0.670 nan 8.310 nan 0.000 0.501 197 L N 0.071 121.286 121.223 -0.013 0.000 2.456 197 L HA 0.111 4.451 4.340 0.001 0.000 0.224 197 L C 1.889 178.730 176.870 -0.048 0.000 1.148 197 L CA 0.537 55.356 54.840 -0.034 0.000 0.825 197 L CB -0.515 41.515 42.059 -0.048 0.000 0.937 197 L HN 0.358 nan 8.230 nan 0.000 0.450 198 M N -0.950 118.626 119.600 -0.041 0.000 2.561 198 M HA 0.090 4.570 4.480 0.001 0.000 0.238 198 M C 2.305 178.591 176.300 -0.023 0.000 1.131 198 M CA 0.322 55.594 55.300 -0.046 0.000 1.046 198 M CB -1.035 31.537 32.600 -0.046 0.000 1.532 198 M HN 0.184 nan 8.290 nan 0.000 0.497 199 A N 2.381 125.190 122.820 -0.018 0.000 1.884 199 A HA -0.154 4.166 4.320 0.001 0.000 0.219 199 A C -0.216 177.351 177.584 -0.029 0.000 1.197 199 A CA 1.937 53.966 52.037 -0.013 0.000 0.637 199 A CB -2.134 16.858 19.000 -0.013 0.000 0.827 199 A HN 0.357 nan 8.150 nan 0.000 0.450 200 P HA -0.128 nan 4.420 nan 0.000 0.219 200 P C 1.409 178.651 177.300 -0.097 0.000 1.146 200 P CA 1.819 64.877 63.100 -0.070 0.000 0.808 200 P CB -0.152 31.507 31.700 -0.069 0.000 0.779 201 A N 0.486 123.274 122.820 -0.052 0.000 1.929 201 A HA -0.135 4.185 4.320 0.001 0.000 0.216 201 A C 2.542 180.127 177.584 0.002 0.000 1.176 201 A CA 1.171 53.199 52.037 -0.015 0.000 0.628 201 A CB -1.130 17.907 19.000 0.061 0.000 0.816 201 A HN 0.066 nan 8.150 nan 0.000 0.444 202 R N 0.217 120.725 120.500 0.013 0.000 2.070 202 R HA -0.144 4.196 4.340 0.001 0.000 0.233 202 R C 1.981 178.284 176.300 0.005 0.000 1.137 202 R CA 1.902 58.025 56.100 0.039 0.000 0.945 202 R CB -0.315 30.008 30.300 0.037 0.000 0.845 202 R HN 0.466 nan 8.270 nan 0.000 0.430 203 K N -0.122 120.257 120.400 -0.036 0.000 2.103 203 K HA -0.137 4.184 4.320 0.001 0.000 0.207 203 K C 2.367 178.907 176.600 -0.100 0.000 1.048 203 K CA 1.490 57.744 56.287 -0.055 0.000 0.930 203 K CB -0.099 32.363 32.500 -0.062 0.000 0.716 203 K HN 0.233 nan 8.250 nan 0.000 0.444 204 R N 0.421 120.798 120.500 -0.206 0.000 2.073 204 R HA -0.052 4.288 4.340 0.001 0.000 0.229 204 R C 2.321 178.497 176.300 -0.206 0.000 1.120 204 R CA 0.748 56.619 56.100 -0.382 0.000 0.967 204 R CB -0.371 29.371 30.300 -0.929 0.000 0.862 204 R HN 0.105 nan 8.270 nan 0.000 0.436 205 L N 1.037 122.259 121.223 -0.003 0.000 2.191 205 L HA -0.047 4.294 4.340 0.001 0.000 0.212 205 L C 2.188 179.150 176.870 0.153 0.000 1.103 205 L CA 1.457 56.453 54.840 0.259 0.000 0.769 205 L CB -0.451 41.786 42.059 0.298 0.000 0.908 205 L HN 0.097 nan 8.230 nan 0.000 0.438 206 A N -0.751 122.117 122.820 0.079 0.000 1.948 206 A HA -0.304 4.017 4.320 0.001 0.000 0.220 206 A C 2.324 179.939 177.584 0.051 0.000 1.177 206 A CA 2.015 54.087 52.037 0.060 0.000 0.636 206 A CB -0.629 18.386 19.000 0.026 0.000 0.815 206 A HN 0.638 nan 8.150 nan 0.000 0.449 207 E N -0.255 119.968 120.200 0.039 0.000 2.046 207 E HA -0.189 4.162 4.350 0.001 0.000 0.190 207 E C 1.319 177.954 176.600 0.057 0.000 0.982 207 E CA 1.157 57.577 56.400 0.035 0.000 0.800 207 E CB -0.122 29.589 29.700 0.018 0.000 0.756 207 E HN 0.604 nan 8.360 nan 0.000 0.449 208 D N 0.701 121.157 120.400 0.092 0.000 2.117 208 D HA -0.168 4.472 4.640 0.001 0.000 0.197 208 D C 2.046 178.398 176.300 0.086 0.000 0.987 208 D CA 0.715 54.771 54.000 0.093 0.000 0.829 208 D CB -0.143 40.732 40.800 0.124 0.000 0.961 208 D HN 0.207 nan 8.370 nan 0.000 0.460 209 L N 1.217 122.508 121.223 0.113 0.000 2.201 209 L HA -0.020 4.321 4.340 0.001 0.000 0.212 209 L C 2.173 179.077 176.870 0.058 0.000 1.105 209 L CA 1.053 55.962 54.840 0.115 0.000 0.775 209 L CB -0.693 41.457 42.059 0.152 0.000 0.913 209 L HN -0.093 nan 8.230 nan 0.000 0.440 210 A N -1.373 121.474 122.820 0.045 0.000 2.070 210 A HA -0.202 4.119 4.320 0.001 0.000 0.220 210 A C 2.060 179.654 177.584 0.016 0.000 1.159 210 A CA 1.467 53.517 52.037 0.022 0.000 0.656 210 A CB -0.399 18.612 19.000 0.018 0.000 0.800 210 A HN 0.658 nan 8.150 nan 0.000 0.453 211 Q N -0.702 119.113 119.800 0.024 0.000 2.360 211 Q HA 0.189 4.529 4.340 0.001 0.000 0.202 211 Q C -0.586 175.423 176.000 0.014 0.000 0.915 211 Q CA -0.098 55.715 55.803 0.017 0.000 0.943 211 Q CB 0.553 29.303 28.738 0.020 0.000 1.064 211 Q HN 0.408 nan 8.270 nan 0.000 0.511 212 V N 3.413 123.338 119.914 0.018 0.000 2.427 212 V HA 0.281 4.401 4.120 0.001 0.000 0.286 212 V C -2.048 174.043 176.094 -0.005 0.000 1.034 212 V CA -1.925 60.383 62.300 0.013 0.000 0.893 212 V CB 1.370 33.213 31.823 0.033 0.000 0.982 212 V HN 0.092 nan 8.190 nan 0.000 0.452 213 P HA 0.396 nan 4.420 nan 0.000 0.279 213 P C -1.229 176.048 177.300 -0.039 0.000 1.239 213 P CA -0.206 62.880 63.100 -0.024 0.000 0.789 213 P CB 1.262 32.950 31.700 -0.019 0.000 0.933 214 L N 2.915 124.105 121.223 -0.054 0.000 2.362 214 L HA 0.572 4.912 4.340 0.001 0.000 0.271 214 L C 0.477 177.305 176.870 -0.069 0.000 1.002 214 L CA -0.969 53.823 54.840 -0.080 0.000 0.818 214 L CB 2.126 44.115 42.059 -0.117 0.000 1.298 214 L HN 0.308 nan 8.230 nan 0.000 0.420 215 R N 0.464 120.921 120.500 -0.072 0.000 2.919 215 R HA 0.494 4.834 4.340 0.001 0.000 0.260 215 R C -0.675 175.586 176.300 -0.065 0.000 1.067 215 R CA -0.968 55.096 56.100 -0.060 0.000 1.003 215 R CB 1.124 31.393 30.300 -0.053 0.000 1.192 215 R HN 0.425 nan 8.270 nan 0.000 0.488 216 R N 2.732 123.199 120.500 -0.056 0.000 2.449 216 R HA 0.162 4.502 4.340 0.001 0.000 0.296 216 R C -1.908 174.347 176.300 -0.075 0.000 1.047 216 R CA -1.132 54.935 56.100 -0.055 0.000 1.018 216 R CB 0.355 30.628 30.300 -0.045 0.000 0.962 216 R HN 0.392 nan 8.270 nan 0.000 0.428 217 P HA 0.004 nan 4.420 nan 0.000 0.268 217 P C -0.497 176.673 177.300 -0.216 0.000 1.205 217 P CA 0.062 63.057 63.100 -0.174 0.000 0.771 217 P CB 0.795 32.413 31.700 -0.136 0.000 0.858 218 R N 1.461 121.746 120.500 -0.359 0.000 2.189 218 R HA 0.005 4.346 4.340 0.001 0.000 0.223 218 R C 0.475 176.708 176.300 -0.113 0.000 1.092 218 R CA 1.204 57.161 56.100 -0.239 0.000 0.989 218 R CB -0.405 29.760 30.300 -0.225 0.000 0.876 218 R HN 0.566 nan 8.270 nan 0.000 0.457 219 F N -2.205 117.746 119.950 0.001 0.000 2.613 219 F HA 0.533 5.061 4.527 0.001 0.000 0.310 219 F C -2.966 172.812 175.800 -0.038 0.000 1.085 219 F CA -4.460 53.532 58.000 -0.014 0.000 0.945 219 F CB 0.317 39.313 39.000 -0.006 0.000 1.298 219 F HN -0.348 nan 8.300 nan 0.000 0.455 220 P HA 0.195 nan 4.420 nan 0.000 0.264 220 P C -0.919 176.454 177.300 0.123 0.000 1.193 220 P CA -0.067 63.079 63.100 0.077 0.000 0.763 220 P CB 0.906 32.598 31.700 -0.012 0.000 0.810 221 V N 5.363 125.286 119.914 0.014 0.000 2.407 221 V HA 0.236 4.356 4.120 0.001 0.000 0.291 221 V C -0.254 175.849 176.094 0.015 0.000 1.018 221 V CA -0.668 61.627 62.300 -0.008 0.000 0.842 221 V CB 0.512 32.089 31.823 -0.411 0.000 0.996 221 V HN 0.414 nan 8.190 nan 0.000 0.426 222 Y N 2.182 122.489 120.300 0.011 0.000 2.550 222 Y HA 0.257 4.808 4.550 0.001 0.000 0.343 222 Y C 1.110 177.045 175.900 0.059 0.000 1.245 222 Y CA 0.797 58.913 58.100 0.027 0.000 1.462 222 Y CB 0.896 39.363 38.460 0.011 0.000 1.340 222 Y HN 0.624 nan 8.280 nan 0.000 0.604 223 S N 1.132 116.956 115.700 0.207 0.000 2.454 223 S HA 0.292 4.763 4.470 0.001 0.000 0.306 223 S C 0.376 175.073 174.600 0.162 0.000 1.100 223 S CA -0.738 57.553 58.200 0.153 0.000 1.087 223 S CB 0.418 63.669 63.200 0.084 0.000 1.019 223 S HN 0.769 nan 8.310 nan 0.000 0.480 224 N N 2.652 121.439 118.700 0.145 0.000 2.459 224 N HA -0.065 4.676 4.740 0.001 0.000 0.181 224 N C 1.356 176.912 175.510 0.076 0.000 1.046 224 N CA 0.586 53.703 53.050 0.112 0.000 0.904 224 N CB 0.052 38.574 38.487 0.058 0.000 0.964 224 N HN 0.385 nan 8.380 nan 0.000 0.444 225 V N 0.716 120.677 119.914 0.078 0.000 2.255 225 V HA -0.176 3.944 4.120 0.001 0.000 0.243 225 V C 2.645 178.772 176.094 0.055 0.000 1.038 225 V CA 2.187 64.525 62.300 0.063 0.000 1.008 225 V CB -0.811 31.046 31.823 0.058 0.000 0.645 225 V HN 0.507 nan 8.190 nan 0.000 0.449 226 T N -2.267 112.320 114.554 0.056 0.000 3.043 226 T HA 0.265 4.615 4.350 0.001 0.000 0.263 226 T C 1.272 176.011 174.700 0.066 0.000 1.094 226 T CA 0.928 63.056 62.100 0.046 0.000 1.127 226 T CB 0.125 69.009 68.868 0.026 0.000 0.905 226 T HN 1.298 nan 8.240 nan 0.000 0.490 227 A N 0.693 123.577 122.820 0.106 0.000 2.905 227 A HA -0.121 4.200 4.320 0.001 0.000 0.260 227 A C 0.385 178.115 177.584 0.243 0.000 1.398 227 A CA 0.782 52.911 52.037 0.153 0.000 0.840 227 A CB -1.792 17.255 19.000 0.079 0.000 1.059 227 A HN 0.533 nan 8.150 nan 0.000 0.647 228 R N -1.288 119.301 120.500 0.148 0.000 2.774 228 R HA 0.612 4.952 4.340 0.001 0.000 0.272 228 R C -3.168 172.897 176.300 -0.392 0.000 1.000 228 R CA -1.811 54.236 56.100 -0.088 0.000 0.906 228 R CB 1.396 31.657 30.300 -0.066 0.000 1.227 228 R HN 0.251 nan 8.270 nan 0.000 0.468 229 P HA 0.117 nan 4.420 nan 0.000 0.271 229 P C -0.756 176.397 177.300 -0.244 0.000 1.218 229 P CA 0.022 62.752 63.100 -0.617 0.000 0.780 229 P CB 0.889 32.218 31.700 -0.618 0.000 0.901 230 E N 1.808 121.929 120.200 -0.132 0.000 2.293 230 E HA 0.297 4.648 4.350 0.001 0.000 0.270 230 E C 0.009 176.599 176.600 -0.017 0.000 0.879 230 E CA -0.490 55.880 56.400 -0.051 0.000 0.756 230 E CB 2.239 31.938 29.700 -0.003 0.000 1.208 230 E HN 0.470 nan 8.360 nan 0.000 0.428 231 E N 0.093 120.279 120.200 -0.023 0.000 2.665 231 E HA 0.028 4.378 4.350 0.001 0.000 0.225 231 E C -0.653 175.931 176.600 -0.027 0.000 0.922 231 E CA -0.078 56.311 56.400 -0.018 0.000 1.242 231 E CB 0.908 30.591 29.700 -0.028 0.000 1.197 231 E HN 0.202 nan 8.360 nan 0.000 0.581 232 D N 2.306 122.686 120.400 -0.034 0.000 2.339 232 D HA 0.065 4.705 4.640 0.001 0.000 0.241 232 D C -1.384 174.880 176.300 -0.059 0.000 1.183 232 D CA -2.452 51.522 54.000 -0.042 0.000 0.859 232 D CB 1.421 42.198 40.800 -0.039 0.000 1.067 232 D HN -0.140 nan 8.370 nan 0.000 0.484 233 P HA -0.212 nan 4.420 nan 0.000 0.216 233 P C 1.134 178.377 177.300 -0.094 0.000 1.150 233 P CA 1.039 64.082 63.100 -0.094 0.000 0.843 233 P CB 0.457 32.109 31.700 -0.080 0.000 0.787 234 E N -0.361 119.799 120.200 -0.067 0.000 2.072 234 E HA -0.215 4.136 4.350 0.001 0.000 0.191 234 E C 2.346 178.908 176.600 -0.063 0.000 0.985 234 E CA 0.765 57.130 56.400 -0.059 0.000 0.801 234 E CB -0.057 29.618 29.700 -0.042 0.000 0.750 234 E HN -0.075 nan 8.360 nan 0.000 0.452 235 R N 0.705 121.169 120.500 -0.061 0.000 2.073 235 R HA -0.026 4.315 4.340 0.001 0.000 0.229 235 R C 2.186 178.437 176.300 -0.082 0.000 1.120 235 R CA 1.105 57.170 56.100 -0.057 0.000 0.967 235 R CB -0.422 29.852 30.300 -0.045 0.000 0.862 235 R HN 0.219 nan 8.270 nan 0.000 0.436 236 I N 0.163 120.664 120.570 -0.116 0.000 2.163 236 I HA -0.320 3.851 4.170 0.001 0.000 0.243 236 I C 2.632 178.606 176.117 -0.238 0.000 1.085 236 I CA 1.608 62.789 61.300 -0.197 0.000 1.347 236 I CB -0.375 37.447 38.000 -0.296 0.000 1.044 236 I HN 0.236 nan 8.210 nan 0.000 0.408 237 R N 0.989 121.370 120.500 -0.197 0.000 2.096 237 R HA -0.235 4.105 4.340 0.001 0.000 0.240 237 R C 2.394 178.630 176.300 -0.105 0.000 1.139 237 R CA 1.941 57.943 56.100 -0.163 0.000 0.952 237 R CB -0.325 29.913 30.300 -0.104 0.000 0.854 237 R HN 0.400 nan 8.270 nan 0.000 0.436 238 A N 0.914 123.689 122.820 -0.074 0.000 1.877 238 A HA -0.139 4.182 4.320 0.001 0.000 0.216 238 A C 2.226 179.790 177.584 -0.034 0.000 1.186 238 A CA 1.257 53.270 52.037 -0.039 0.000 0.620 238 A CB -0.603 18.379 19.000 -0.030 0.000 0.822 238 A HN 0.350 nan 8.150 nan 0.000 0.443 239 L N -0.670 120.521 121.223 -0.053 0.000 2.131 239 L HA -0.164 4.177 4.340 0.001 0.000 0.210 239 L C 2.500 179.348 176.870 -0.038 0.000 1.092 239 L CA 0.869 55.689 54.840 -0.034 0.000 0.759 239 L CB -0.496 41.542 42.059 -0.036 0.000 0.903 239 L HN 0.390 nan 8.230 nan 0.000 0.435 240 L N -0.644 120.507 121.223 -0.120 0.000 2.141 240 L HA -0.214 4.127 4.340 0.001 0.000 0.209 240 L C 2.406 179.315 176.870 0.065 0.000 1.094 240 L CA 1.044 55.794 54.840 -0.150 0.000 0.763 240 L CB -0.233 41.535 42.059 -0.485 0.000 0.908 240 L HN 0.293 nan 8.230 nan 0.000 0.437 241 L N -0.938 120.322 121.223 0.061 0.000 2.095 241 L HA -0.146 4.194 4.340 0.001 0.000 0.204 241 L C 2.492 179.421 176.870 0.098 0.000 1.080 241 L CA 0.947 55.853 54.840 0.111 0.000 0.759 241 L CB -0.446 41.658 42.059 0.075 0.000 0.914 241 L HN 0.235 nan 8.230 nan 0.000 0.439 242 E N 0.116 120.357 120.200 0.068 0.000 2.153 242 E HA -0.292 4.059 4.350 0.001 0.000 0.194 242 E C 2.181 178.845 176.600 0.106 0.000 0.988 242 E CA 0.962 57.404 56.400 0.069 0.000 0.811 242 E CB 0.055 29.784 29.700 0.047 0.000 0.746 242 E HN 0.401 nan 8.360 nan 0.000 0.466 243 Q N 0.467 120.344 119.800 0.129 0.000 2.135 243 Q HA -0.206 4.134 4.340 0.001 0.000 0.204 243 Q C 2.163 178.329 176.000 0.276 0.000 0.981 243 Q CA 1.352 57.273 55.803 0.197 0.000 0.856 243 Q CB -0.126 28.738 28.738 0.209 0.000 0.902 243 Q HN 0.390 nan 8.270 nan 0.000 0.425 244 I N 0.517 121.205 120.570 0.197 0.000 2.264 244 I HA -0.269 3.901 4.170 0.001 0.000 0.248 244 I C 2.201 178.356 176.117 0.063 0.000 1.111 244 I CA 1.830 63.189 61.300 0.097 0.000 1.382 244 I CB -0.178 37.880 38.000 0.096 0.000 1.060 244 I HN 0.348 nan 8.210 nan 0.000 0.418 245 T N -2.393 112.228 114.554 0.111 0.000 3.040 245 T HA 0.468 4.819 4.350 0.001 0.000 0.250 245 T C 0.644 175.431 174.700 0.145 0.000 1.058 245 T CA 0.014 62.174 62.100 0.100 0.000 0.988 245 T CB 0.006 68.910 68.868 0.061 0.000 0.993 245 T HN 0.173 nan 8.240 nan 0.000 0.519 246 A N 2.431 125.362 122.820 0.185 0.000 2.279 246 A HA 0.725 5.045 4.320 0.001 0.000 0.303 246 A C -2.759 174.927 177.584 0.171 0.000 1.108 246 A CA -1.975 50.152 52.037 0.150 0.000 0.830 246 A CB 0.272 19.340 19.000 0.112 0.000 1.106 246 A HN 0.188 nan 8.150 nan 0.000 0.493 247 P HA 0.243 nan 4.420 nan 0.000 0.275 247 P C -0.776 176.490 177.300 -0.057 0.000 1.228 247 P CA -0.170 62.947 63.100 0.030 0.000 0.786 247 P CB 0.759 32.483 31.700 0.040 0.000 0.927 248 V N 5.152 124.952 119.914 -0.190 0.000 2.387 248 V HA 0.137 4.258 4.120 0.001 0.000 0.260 248 V C 1.217 177.284 176.094 -0.045 0.000 1.054 248 V CA 0.046 62.209 62.300 -0.227 0.000 0.967 248 V CB -0.335 31.172 31.823 -0.526 0.000 1.036 248 V HN 0.423 nan 8.190 nan 0.000 0.481 249 R N 4.834 125.346 120.500 0.020 0.000 4.496 249 R HA 0.046 4.387 4.340 0.001 0.000 0.211 249 R C 1.158 177.511 176.300 0.088 0.000 1.738 249 R CA -0.195 55.937 56.100 0.054 0.000 1.528 249 R CB 0.110 30.432 30.300 0.036 0.000 1.414 249 R HN 0.869 nan 8.270 nan 0.000 0.812 250 W N 1.179 122.426 121.300 -0.089 0.000 2.354 250 W HA -0.235 4.425 4.660 0.001 0.000 0.315 250 W C 1.279 177.763 176.519 -0.059 0.000 1.206 250 W CA 1.348 58.652 57.345 -0.067 0.000 1.290 250 W CB 0.081 29.540 29.460 -0.000 0.000 1.152 250 W HN 0.115 nan 8.180 nan 0.000 0.489 251 V N 1.161 121.092 119.914 0.029 0.000 2.282 251 V HA -0.356 3.765 4.120 0.001 0.000 0.249 251 V C 2.073 178.074 176.094 -0.154 0.000 1.057 251 V CA 2.504 64.758 62.300 -0.076 0.000 1.032 251 V CB -1.084 30.740 31.823 0.002 0.000 0.645 251 V HN 0.183 nan 8.190 nan 0.000 0.447 252 E N -0.401 119.739 120.200 -0.100 0.000 2.077 252 E HA -0.205 4.146 4.350 0.001 0.000 0.193 252 E C 2.148 178.650 176.600 -0.162 0.000 0.989 252 E CA 1.563 57.910 56.400 -0.089 0.000 0.800 252 E CB -0.225 29.459 29.700 -0.027 0.000 0.746 252 E HN 0.576 nan 8.360 nan 0.000 0.452 253 I N 0.888 121.291 120.570 -0.279 0.000 2.127 253 I HA -0.331 3.839 4.170 0.001 0.000 0.241 253 I C 2.303 178.059 176.117 -0.601 0.000 1.075 253 I CA 1.151 62.148 61.300 -0.504 0.000 1.334 253 I CB -0.294 37.270 38.000 -0.725 0.000 1.040 253 I HN 0.147 nan 8.210 nan 0.000 0.405 254 L N -0.032 120.808 121.223 -0.638 0.000 2.042 254 L HA -0.226 4.115 4.340 0.001 0.000 0.210 254 L C 2.852 179.575 176.870 -0.245 0.000 1.076 254 L CA 1.205 55.748 54.840 -0.496 0.000 0.749 254 L CB -0.734 40.994 42.059 -0.552 0.000 0.893 254 L HN 0.243 nan 8.230 nan 0.000 0.432 255 R N 0.091 120.474 120.500 -0.195 0.000 2.073 255 R HA -0.199 4.141 4.340 0.001 0.000 0.234 255 R C 1.890 178.164 176.300 -0.044 0.000 1.134 255 R CA 1.873 57.918 56.100 -0.092 0.000 0.952 255 R CB -0.911 29.347 30.300 -0.070 0.000 0.850 255 R HN 0.382 nan 8.270 nan 0.000 0.433 256 D N 0.270 120.645 120.400 -0.043 0.000 2.144 256 D HA -0.098 4.543 4.640 0.001 0.000 0.199 256 D C 2.023 178.364 176.300 0.068 0.000 0.984 256 D CA 1.107 55.134 54.000 0.046 0.000 0.834 256 D CB 0.051 40.947 40.800 0.159 0.000 0.955 256 D HN 0.088 nan 8.370 nan 0.000 0.465 257 M N 0.005 119.603 119.600 -0.003 0.000 2.080 257 M HA -0.149 4.332 4.480 0.001 0.000 0.260 257 M C 2.199 178.541 176.300 0.070 0.000 1.068 257 M CA 1.227 56.549 55.300 0.037 0.000 1.109 257 M CB -0.251 32.362 32.600 0.023 0.000 1.342 257 M HN 0.071 nan 8.290 nan 0.000 0.405 258 E N 0.619 120.878 120.200 0.099 0.000 2.058 258 E HA -0.194 4.156 4.350 0.001 0.000 0.194 258 E C 1.889 178.518 176.600 0.049 0.000 0.997 258 E CA 1.792 58.251 56.400 0.099 0.000 0.801 258 E CB -0.075 29.666 29.700 0.068 0.000 0.746 258 E HN 0.475 nan 8.360 nan 0.000 0.450 259 A N 0.758 123.600 122.820 0.037 0.000 1.972 259 A HA -0.135 4.185 4.320 0.001 0.000 0.219 259 A C 2.166 179.767 177.584 0.029 0.000 1.169 259 A CA 1.410 53.464 52.037 0.029 0.000 0.635 259 A CB -0.357 18.660 19.000 0.028 0.000 0.810 259 A HN 0.069 nan 8.150 nan 0.000 0.446 260 R N -1.320 119.204 120.500 0.039 0.000 2.280 260 R HA 0.128 4.468 4.340 0.001 0.000 0.207 260 R C 1.306 177.610 176.300 0.006 0.000 1.043 260 R CA 0.888 57.006 56.100 0.029 0.000 1.006 260 R CB -0.352 29.979 30.300 0.050 0.000 0.885 260 R HN 0.862 nan 8.270 nan 0.000 0.467 261 G N -1.204 107.598 108.800 0.004 0.000 2.138 261 G HA2 -0.205 3.755 3.960 0.001 0.000 0.193 261 G HA3 -0.205 3.755 3.960 0.001 0.000 0.193 261 G C -0.296 174.581 174.900 -0.039 0.000 0.998 261 G CA -0.104 44.991 45.100 -0.009 0.000 0.668 261 G HN 0.115 nan 8.290 nan 0.000 0.516 262 V N 1.456 121.329 119.914 -0.069 0.000 2.508 262 V HA 0.399 4.520 4.120 0.001 0.000 0.281 262 V C 1.439 177.437 176.094 -0.161 0.000 1.041 262 V CA 1.076 63.257 62.300 -0.199 0.000 1.016 262 V CB 1.379 32.973 31.823 -0.381 0.000 0.984 262 V HN 0.618 nan 8.190 nan 0.000 0.478 263 K N 4.266 124.566 120.400 -0.166 0.000 2.399 263 K HA 0.290 4.610 4.320 0.001 0.000 0.196 263 K C 0.897 177.479 176.600 -0.030 0.000 1.117 263 K CA -0.323 55.943 56.287 -0.035 0.000 0.965 263 K CB 0.980 33.477 32.500 -0.005 0.000 0.983 263 K HN 0.440 nan 8.250 nan 0.000 0.531 264 R N 0.574 120.961 120.500 -0.189 0.000 2.562 264 R HA 0.404 4.745 4.340 0.001 0.000 0.298 264 R C -1.685 174.427 176.300 -0.312 0.000 0.961 264 R CA -0.633 55.411 56.100 -0.093 0.000 0.881 264 R CB 1.052 31.336 30.300 -0.027 0.000 1.159 264 R HN -0.043 nan 8.270 nan 0.000 0.450 265 F N 4.408 124.356 119.950 -0.003 0.000 2.493 265 F HA 0.443 4.970 4.527 0.001 0.000 0.329 265 F C -0.385 175.352 175.800 -0.106 0.000 1.126 265 F CA -0.672 57.321 58.000 -0.011 0.000 0.937 265 F CB 1.687 40.668 39.000 -0.031 0.000 1.146 265 F HN 0.152 nan 8.300 nan 0.000 0.442 266 L N 3.057 124.272 121.223 -0.014 0.000 2.305 266 L HA 0.432 4.773 4.340 0.001 0.000 0.284 266 L C -0.297 176.272 176.870 -0.501 0.000 1.013 266 L CA -0.556 54.041 54.840 -0.405 0.000 0.819 266 L CB 1.883 43.497 42.059 -0.741 0.000 1.227 266 L HN 0.627 nan 8.230 nan 0.000 0.417 267 E N 3.981 123.890 120.200 -0.485 0.000 2.081 267 E HA 0.355 4.705 4.350 0.001 0.000 0.276 267 E C -1.404 174.925 176.600 -0.451 0.000 0.950 267 E CA -0.617 55.578 56.400 -0.342 0.000 0.776 267 E CB 0.734 30.347 29.700 -0.145 0.000 1.094 267 E HN 0.295 nan 8.360 nan 0.000 0.402 268 F N 3.360 123.168 119.950 -0.237 0.000 2.408 268 F HA 0.559 5.086 4.527 0.000 0.000 0.344 268 F C 1.372 177.246 175.800 0.124 0.000 1.112 268 F CA 0.643 58.612 58.000 -0.052 0.000 1.096 268 F CB 1.981 40.994 39.000 0.022 0.000 1.129 268 F HN 0.772 nan 8.300 nan 0.000 0.486 269 G N 1.658 110.649 108.800 0.318 0.000 2.083 269 G HA2 0.120 4.080 3.960 0.001 0.000 0.199 269 G HA3 0.120 4.080 3.960 0.001 0.000 0.199 269 G C -0.463 174.545 174.900 0.180 0.000 2.367 269 G CA -0.148 45.118 45.100 0.277 0.000 1.555 269 G HN 1.330 nan 8.290 nan 0.000 0.490 270 S N -0.646 115.131 115.700 0.127 0.000 2.556 270 S HA 0.738 5.208 4.470 0.001 0.000 0.280 270 S C 0.250 174.876 174.600 0.042 0.000 1.141 270 S CA 0.857 59.108 58.200 0.086 0.000 0.883 270 S CB 1.409 64.672 63.200 0.105 0.000 1.103 270 S HN 2.856 nan 8.310 nan 0.000 0.453 271 G N 1.861 110.670 108.800 0.014 0.000 2.756 271 G HA2 -0.011 3.950 3.960 0.001 0.000 0.678 271 G HA3 -0.011 3.950 3.960 0.001 0.000 0.678 271 G C -0.369 174.513 174.900 -0.030 0.000 1.349 271 G CA -0.035 45.056 45.100 -0.015 0.000 0.847 271 G HN 0.965 nan 8.290 nan 0.000 0.548 272 E N -0.309 119.864 120.200 -0.044 0.000 2.758 272 E HA 0.276 4.627 4.350 0.001 0.000 0.215 272 E C 2.063 178.627 176.600 -0.060 0.000 0.985 272 E CA 0.139 56.508 56.400 -0.051 0.000 1.102 272 E CB 0.887 30.559 29.700 -0.047 0.000 1.042 272 E HN 0.338 nan 8.360 nan 0.000 0.480 273 V N 1.347 121.216 119.914 -0.075 0.000 2.231 273 V HA -0.333 3.787 4.120 0.001 0.000 0.250 273 V C 2.295 178.324 176.094 -0.108 0.000 1.058 273 V CA 1.825 64.062 62.300 -0.106 0.000 1.022 273 V CB -0.459 31.271 31.823 -0.154 0.000 0.640 273 V HN 0.414 nan 8.190 nan 0.000 0.445 274 L N -0.245 120.912 121.223 -0.110 0.000 2.131 274 L HA -0.227 4.114 4.340 0.001 0.000 0.210 274 L C 2.598 179.481 176.870 0.021 0.000 1.092 274 L CA 2.044 56.858 54.840 -0.043 0.000 0.759 274 L CB -0.691 41.373 42.059 0.008 0.000 0.903 274 L HN 0.411 nan 8.230 nan 0.000 0.435 275 K N 0.569 120.956 120.400 -0.021 0.000 2.057 275 K HA -0.151 4.169 4.320 0.001 0.000 0.207 275 K C 2.045 178.623 176.600 -0.037 0.000 1.049 275 K CA 1.481 57.748 56.287 -0.033 0.000 0.931 275 K CB -0.292 32.180 32.500 -0.047 0.000 0.714 275 K HN 0.287 nan 8.250 nan 0.000 0.440 276 G N 1.280 110.058 108.800 -0.037 0.000 2.422 276 G HA2 -0.190 3.771 3.960 0.001 0.000 0.218 276 G HA3 -0.190 3.771 3.960 0.001 0.000 0.218 276 G C 1.469 176.356 174.900 -0.021 0.000 1.146 276 G CA 0.689 45.769 45.100 -0.034 0.000 0.769 276 G HN 0.229 nan 8.290 nan 0.000 0.547 277 L N 0.139 121.363 121.223 0.002 0.000 2.109 277 L HA 0.001 4.341 4.340 0.001 0.000 0.207 277 L C 2.896 179.779 176.870 0.023 0.000 1.086 277 L CA 0.168 55.041 54.840 0.056 0.000 0.760 277 L CB -0.438 41.718 42.059 0.162 0.000 0.910 277 L HN 0.060 nan 8.230 nan 0.000 0.437 278 V N 0.391 120.285 119.914 -0.034 0.000 2.358 278 V HA -0.261 3.859 4.120 0.001 0.000 0.246 278 V C 2.425 178.417 176.094 -0.170 0.000 1.047 278 V CA 1.535 63.709 62.300 -0.210 0.000 1.035 278 V CB -0.275 31.340 31.823 -0.346 0.000 0.658 278 V HN 0.325 nan 8.190 nan 0.000 0.452 279 L N -0.559 120.606 121.223 -0.097 0.000 1.994 279 L HA -0.164 4.176 4.340 0.001 0.000 0.208 279 L C 2.639 179.477 176.870 -0.054 0.000 1.071 279 L CA 1.620 56.420 54.840 -0.067 0.000 0.745 279 L CB -0.538 41.495 42.059 -0.044 0.000 0.892 279 L HN 0.180 nan 8.230 nan 0.000 0.431 280 R N -0.669 119.807 120.500 -0.039 0.000 2.316 280 R HA -0.069 4.272 4.340 0.001 0.000 0.202 280 R C 1.782 178.064 176.300 -0.030 0.000 1.029 280 R CA 1.191 57.275 56.100 -0.026 0.000 1.018 280 R CB -0.210 30.083 30.300 -0.012 0.000 0.888 280 R HN 0.280 nan 8.270 nan 0.000 0.471 281 T N -1.106 113.416 114.554 -0.054 0.000 3.071 281 T HA 0.308 4.659 4.350 0.001 0.000 0.239 281 T C -0.003 174.645 174.700 -0.088 0.000 0.997 281 T CA 0.196 62.255 62.100 -0.068 0.000 1.134 281 T CB 0.435 69.251 68.868 -0.087 0.000 0.928 281 T HN -0.034 nan 8.240 nan 0.000 0.453 282 L N 2.500 123.649 121.223 -0.123 0.000 2.356 282 L HA 0.496 4.836 4.340 0.001 0.000 0.277 282 L C 0.794 177.626 176.870 -0.063 0.000 0.996 282 L CA -0.712 54.069 54.840 -0.099 0.000 0.822 282 L CB 2.134 44.103 42.059 -0.151 0.000 1.256 282 L HN 0.161 nan 8.230 nan 0.000 0.413 283 K N 0.378 120.760 120.400 -0.030 0.000 2.335 283 K HA 0.091 4.411 4.320 0.001 0.000 0.195 283 K C 0.932 177.531 176.600 -0.001 0.000 1.058 283 K CA 0.121 56.397 56.287 -0.018 0.000 0.988 283 K CB 0.347 32.839 32.500 -0.014 0.000 0.880 283 K HN 0.362 nan 8.250 nan 0.000 0.513 284 E N 1.343 121.549 120.200 0.010 0.000 2.335 284 E HA 0.215 4.566 4.350 0.001 0.000 0.191 284 E C -0.943 175.683 176.600 0.045 0.000 1.077 284 E CA -0.332 56.081 56.400 0.022 0.000 1.010 284 E CB 0.414 30.127 29.700 0.021 0.000 1.141 284 E HN 0.445 nan 8.360 nan 0.000 0.452 285 A N 0.347 123.198 122.820 0.052 0.000 2.384 285 A HA 0.563 4.883 4.320 0.001 0.000 0.312 285 A C -0.820 176.824 177.584 0.100 0.000 1.113 285 A CA -0.706 51.400 52.037 0.116 0.000 0.779 285 A CB 1.270 20.370 19.000 0.167 0.000 1.307 285 A HN 0.255 nan 8.150 nan 0.000 0.436 286 E N 0.334 120.624 120.200 0.151 0.000 2.183 286 E HA 0.663 5.013 4.350 0.001 0.000 0.271 286 E C -0.713 175.979 176.600 0.153 0.000 0.919 286 E CA -0.640 55.821 56.400 0.101 0.000 0.781 286 E CB 1.584 31.319 29.700 0.058 0.000 1.140 286 E HN 0.956 nan 8.360 nan 0.000 0.402 287 A N 3.872 126.735 122.820 0.071 0.000 2.486 287 A HA 0.696 5.016 4.320 0.001 0.000 0.300 287 A C -1.849 175.721 177.584 -0.024 0.000 1.048 287 A CA -0.636 51.434 52.037 0.056 0.000 0.696 287 A CB 0.979 19.993 19.000 0.025 0.000 1.278 287 A HN 0.448 nan 8.150 nan 0.000 0.405 288 L N 0.357 121.534 121.223 -0.077 0.000 2.434 288 L HA 0.639 4.979 4.340 0.001 0.000 0.260 288 L C -0.027 176.727 176.870 -0.193 0.000 0.983 288 L CA -0.200 54.563 54.840 -0.129 0.000 0.820 288 L CB 2.421 44.385 42.059 -0.159 0.000 1.361 288 L HN 0.546 nan 8.230 nan 0.000 0.410 289 S N 0.727 116.326 115.700 -0.169 0.000 2.498 289 S HA 0.514 4.984 4.470 0.001 0.000 0.324 289 S C -0.370 174.116 174.600 -0.191 0.000 1.071 289 S CA -0.552 57.536 58.200 -0.186 0.000 1.113 289 S CB 1.314 64.451 63.200 -0.106 0.000 0.976 289 S HN 0.289 nan 8.310 nan 0.000 0.462 290 V N 5.253 124.987 119.914 -0.300 0.000 2.313 290 V HA 0.170 4.291 4.120 0.001 0.000 0.252 290 V C 1.047 177.133 176.094 -0.013 0.000 1.112 290 V CA 0.129 62.315 62.300 -0.190 0.000 0.984 290 V CB -0.104 31.521 31.823 -0.330 0.000 1.157 290 V HN 0.999 nan 8.190 nan 0.000 0.493 291 Q N 1.863 121.672 119.800 0.016 0.000 2.113 291 Q HA 0.294 4.635 4.340 0.001 0.000 0.225 291 Q C -0.323 175.723 176.000 0.077 0.000 0.786 291 Q CA -0.352 55.493 55.803 0.070 0.000 0.989 291 Q CB 1.106 29.874 28.738 0.050 0.000 1.174 291 Q HN 0.733 nan 8.270 nan 0.000 0.470 292 D N -1.483 118.951 120.400 0.056 0.000 2.643 292 D HA 0.237 4.878 4.640 0.001 0.000 0.283 292 D C -2.364 173.964 176.300 0.047 0.000 1.242 292 D CA -1.617 52.415 54.000 0.054 0.000 0.863 292 D CB 0.673 41.492 40.800 0.033 0.000 1.382 292 D HN -0.259 nan 8.370 nan 0.000 0.444 293 P HA -0.172 nan 4.420 nan 0.000 0.216 293 P C 0.370 177.684 177.300 0.024 0.000 1.153 293 P CA 1.312 64.433 63.100 0.034 0.000 0.858 293 P CB 0.217 31.931 31.700 0.023 0.000 0.789 294 D N 0.249 120.657 120.400 0.013 0.000 2.097 294 D HA -0.120 4.520 4.640 0.001 0.000 0.195 294 D C 2.261 178.561 176.300 0.000 0.000 0.989 294 D CA 2.012 56.015 54.000 0.005 0.000 0.827 294 D CB -0.743 40.056 40.800 -0.002 0.000 0.966 294 D HN 0.292 nan 8.370 nan 0.000 0.456 295 S N 0.420 116.117 115.700 -0.005 0.000 2.423 295 S HA -0.105 4.365 4.470 0.001 0.000 0.231 295 S C 2.003 176.593 174.600 -0.018 0.000 1.014 295 S CA 0.350 58.535 58.200 -0.026 0.000 0.965 295 S CB -0.441 62.733 63.200 -0.044 0.000 0.785 295 S HN 0.175 nan 8.310 nan 0.000 0.495 296 L N 2.252 123.489 121.223 0.023 0.000 2.027 296 L HA 0.090 4.430 4.340 0.001 0.000 0.206 296 L C 2.660 179.578 176.870 0.080 0.000 1.074 296 L CA 1.844 56.731 54.840 0.078 0.000 0.745 296 L CB -0.872 41.250 42.059 0.105 0.000 0.898 296 L HN 0.290 nan 8.230 nan 0.000 0.433 297 R N -0.147 120.380 120.500 0.046 0.000 2.094 297 R HA -0.219 4.122 4.340 0.001 0.000 0.239 297 R C 2.269 178.585 176.300 0.027 0.000 1.137 297 R CA 2.211 58.331 56.100 0.033 0.000 0.943 297 R CB -0.235 30.075 30.300 0.015 0.000 0.850 297 R HN 0.412 nan 8.270 nan 0.000 0.433 298 K N -0.265 120.140 120.400 0.008 0.000 2.097 298 K HA -0.108 4.212 4.320 0.001 0.000 0.206 298 K C 2.095 178.690 176.600 -0.010 0.000 1.049 298 K CA 1.274 57.557 56.287 -0.006 0.000 0.933 298 K CB -0.130 32.356 32.500 -0.023 0.000 0.717 298 K HN 0.273 nan 8.250 nan 0.000 0.442 299 A N 1.628 124.442 122.820 -0.011 0.000 1.898 299 A HA -0.085 4.236 4.320 0.001 0.000 0.216 299 A C 2.166 179.825 177.584 0.126 0.000 1.181 299 A CA 1.042 53.057 52.037 -0.036 0.000 0.620 299 A CB -0.525 18.380 19.000 -0.159 0.000 0.819 299 A HN 0.134 nan 8.150 nan 0.000 0.442 300 L N -0.524 120.814 121.223 0.191 0.000 2.093 300 L HA -0.180 4.161 4.340 0.001 0.000 0.208 300 L C 2.503 179.408 176.870 0.059 0.000 1.085 300 L CA 1.407 56.339 54.840 0.153 0.000 0.755 300 L CB -0.592 41.508 42.059 0.068 0.000 0.904 300 L HN 0.467 nan 8.230 nan 0.000 0.435 301 E N -0.168 120.053 120.200 0.036 0.000 2.153 301 E HA -0.189 4.161 4.350 0.001 0.000 0.194 301 E C 1.981 178.589 176.600 0.012 0.000 0.988 301 E CA 1.692 58.101 56.400 0.014 0.000 0.811 301 E CB -0.016 29.688 29.700 0.006 0.000 0.746 301 E HN 0.544 nan 8.360 nan 0.000 0.466 302 V N -1.964 117.958 119.914 0.013 0.000 3.644 302 V HA 0.166 4.287 4.120 0.001 0.000 0.267 302 V C 1.028 177.131 176.094 0.014 0.000 1.277 302 V CA 0.535 62.837 62.300 0.004 0.000 1.096 302 V CB 0.588 32.401 31.823 -0.017 0.000 0.828 302 V HN -0.042 nan 8.190 nan 0.000 0.446 303 E N 0.600 120.826 120.200 0.044 0.000 3.029 303 E HA 0.338 4.688 4.350 0.001 0.000 0.196 303 E C 0.323 176.989 176.600 0.110 0.000 0.973 303 E CA -0.155 56.292 56.400 0.080 0.000 1.242 303 E CB 0.478 30.168 29.700 -0.016 0.000 1.056 303 E HN 0.679 nan 8.360 nan 0.000 0.469 304 R N -0.223 120.294 120.500 0.028 0.000 2.643 304 R HA 0.797 5.137 4.340 0.001 0.000 0.272 304 R C -0.180 176.096 176.300 -0.039 0.000 0.995 304 R CA -0.221 55.838 56.100 -0.068 0.000 1.032 304 R CB 1.092 31.338 30.300 -0.089 0.000 1.126 304 R HN 0.099 nan 8.270 nan 0.000 0.505 305 A N 0.000 122.781 122.820 -0.066 0.000 2.254 305 A HA 0.000 4.320 4.320 0.001 0.000 0.244 305 A CA 0.000 52.017 52.037 -0.034 0.000 0.836 305 A CB 0.000 18.979 19.000 -0.036 0.000 0.831 305 A HN 0.000 nan 8.150 nan 0.000 0.486