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 3a8i_1_B DATA FIRST_RESID 1 DATA SEQUENCE AQQTPLYEQH TLCGARMVDF HGWMMPLHYG SQIDEHHAVR TDAGMFDVSH DATA SEQUENCE MTIVDLRGSR TREFLRYLLA NDVAKLTKSG KALYSGMLNA SGGVIDDLIV DATA SEQUENCE YYFTEDFFRL VVNSATREKD LSWITQHAEP FGIEITVRDD LSMIAVQGPN DATA SEQUENCE AQAKAATLFN DAQRQAVEGM KPFFGVQAGD LFIATTGYTG EAGYEIALPN DATA SEQUENCE EKAADFWRAL VEAGVKPCGL GARDTLRLEA GMNLYGQEMD ETISPLAANM DATA SEQUENCE GWTIAWEPAD RDFIGREALE VQREHGTEKL VGLVMTEKGV LRNELPVRFT DATA SEQUENCE DAQGNQHEGI ITSGTFSPTL GYSIALARVP EGIGETAIVQ IRNREMPVKV DATA SEQUENCE TKPVFVRNGK AVA 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 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.516 177.584 -0.113 0.000 1.274 1 A CA 0.000 51.975 52.037 -0.102 0.000 0.836 1 A CB 0.000 18.894 19.000 -0.176 0.000 0.831 2 Q N 0.891 120.514 119.800 -0.294 0.000 2.498 2 Q HA 0.299 4.639 4.340 0.001 0.000 0.299 2 Q C -0.099 176.016 176.000 0.191 0.000 1.178 2 Q CA 1.125 56.780 55.803 -0.247 0.000 0.997 2 Q CB -0.099 28.073 28.738 -0.943 0.000 1.306 2 Q HN 0.660 nan 8.270 nan 0.000 0.468 3 Q N -0.796 119.231 119.800 0.379 0.000 2.458 3 Q HA 0.585 4.925 4.340 0.001 0.000 0.282 3 Q C -0.695 175.617 176.000 0.520 0.000 1.106 3 Q CA -0.999 55.109 55.803 0.508 0.000 0.814 3 Q CB 1.549 30.477 28.738 0.316 0.000 1.425 3 Q HN 0.679 nan 8.270 nan 0.000 0.437 4 T N -2.483 112.263 114.554 0.321 0.000 2.824 4 T HA 0.327 4.677 4.350 0.001 0.000 0.277 4 T C -1.838 172.933 174.700 0.117 0.000 0.975 4 T CA -1.697 60.478 62.100 0.125 0.000 0.966 4 T CB 0.434 69.286 68.868 -0.027 0.000 1.054 4 T HN 0.442 nan 8.240 nan 0.000 0.533 5 P HA 0.155 nan 4.420 nan 0.000 0.236 5 P C 0.835 178.119 177.300 -0.026 0.000 1.172 5 P CA 0.627 63.746 63.100 0.031 0.000 0.759 5 P CB -0.101 31.611 31.700 0.020 0.000 0.843 6 L N -3.647 117.515 121.223 -0.101 0.000 2.693 6 L HA 0.143 4.483 4.340 0.001 0.000 0.235 6 L C 1.915 178.542 176.870 -0.405 0.000 1.127 6 L CA -0.212 54.394 54.840 -0.390 0.000 0.914 6 L CB -0.402 41.208 42.059 -0.748 0.000 1.193 6 L HN -0.116 nan 8.230 nan 0.000 0.502 7 Y N 1.677 121.899 120.300 -0.129 0.000 2.062 7 Y HA -0.436 4.115 4.550 0.001 0.000 0.273 7 Y C 2.595 178.469 175.900 -0.044 0.000 1.206 7 Y CA 2.562 60.667 58.100 0.008 0.000 1.125 7 Y CB 0.118 38.602 38.460 0.040 0.000 0.951 7 Y HN 0.277 nan 8.280 nan 0.000 0.501 8 E N -0.982 119.304 120.200 0.143 0.000 2.107 8 E HA -0.226 4.125 4.350 0.001 0.000 0.191 8 E C 2.140 178.727 176.600 -0.022 0.000 0.982 8 E CA 0.937 57.396 56.400 0.098 0.000 0.809 8 E CB -0.034 29.725 29.700 0.098 0.000 0.756 8 E HN 0.516 nan 8.360 nan 0.000 0.459 9 Q N 0.141 119.850 119.800 -0.151 0.000 2.061 9 Q HA -0.192 4.148 4.340 0.001 0.000 0.204 9 Q C 2.131 178.057 176.000 -0.123 0.000 0.984 9 Q CA 1.367 57.066 55.803 -0.174 0.000 0.846 9 Q CB -0.522 27.961 28.738 -0.425 0.000 0.902 9 Q HN 0.544 nan 8.270 nan 0.000 0.421 10 H N 0.014 118.979 119.070 -0.175 0.000 2.319 10 H HA -0.092 4.464 4.556 0.000 0.000 0.299 10 H C 2.347 177.662 175.328 -0.021 0.000 1.092 10 H CA 2.125 58.144 56.048 -0.049 0.000 1.302 10 H CB -0.834 28.770 29.762 -0.263 0.000 1.373 10 H HN 0.456 nan 8.280 nan 0.000 0.497 11 T N -0.306 114.242 114.554 -0.010 0.000 2.684 11 T HA -0.136 4.214 4.350 0.001 0.000 0.267 11 T C 2.393 177.132 174.700 0.066 0.000 1.036 11 T CA 1.169 63.260 62.100 -0.015 0.000 1.148 11 T CB -0.841 68.024 68.868 -0.005 0.000 0.863 11 T HN 0.157 nan 8.240 nan 0.000 0.436 12 L N 0.287 121.558 121.223 0.080 0.000 2.081 12 L HA -0.070 4.271 4.340 0.001 0.000 0.212 12 L C 2.622 179.570 176.870 0.130 0.000 1.080 12 L CA 1.117 56.012 54.840 0.093 0.000 0.754 12 L CB -0.439 41.669 42.059 0.081 0.000 0.893 12 L HN 0.443 nan 8.230 nan 0.000 0.433 13 C N 0.089 119.513 119.300 0.206 0.000 2.576 13 C HA 0.265 4.725 4.460 0.001 0.000 0.267 13 C C 1.660 176.848 174.990 0.329 0.000 1.364 13 C CA 0.449 59.625 59.018 0.263 0.000 1.723 13 C CB -1.432 26.523 27.740 0.359 0.000 1.778 13 C HN 0.824 nan 8.230 nan 0.000 0.572 14 G N 0.539 109.479 108.800 0.234 0.000 2.132 14 G HA2 -0.016 3.944 3.960 0.001 0.000 0.228 14 G HA3 -0.016 3.944 3.960 0.001 0.000 0.228 14 G C 0.081 175.025 174.900 0.074 0.000 1.000 14 G CA 0.120 45.320 45.100 0.167 0.000 0.693 14 G HN 0.890 nan 8.290 nan 0.000 0.515 15 A N -0.376 122.402 122.820 -0.070 0.000 2.425 15 A HA 0.722 5.043 4.320 0.001 0.000 0.249 15 A C 0.648 178.004 177.584 -0.379 0.000 1.084 15 A CA 0.154 51.886 52.037 -0.508 0.000 0.781 15 A CB 0.322 18.911 19.000 -0.686 0.000 1.019 15 A HN 0.432 nan 8.150 nan 0.000 0.490 16 R N 2.264 122.461 120.500 -0.504 0.000 2.204 16 R HA 0.368 4.709 4.340 0.001 0.000 0.341 16 R C -0.334 175.732 176.300 -0.390 0.000 1.035 16 R CA -0.260 55.590 56.100 -0.417 0.000 0.887 16 R CB 0.508 30.446 30.300 -0.604 0.000 1.114 16 R HN 0.669 nan 8.270 nan 0.000 0.473 17 M N 2.978 122.416 119.600 -0.270 0.000 2.249 17 M HA 0.357 4.837 4.480 0.001 0.000 0.351 17 M C 0.090 176.327 176.300 -0.105 0.000 1.180 17 M CA -0.750 54.422 55.300 -0.213 0.000 1.127 17 M CB 1.254 33.755 32.600 -0.165 0.000 1.546 17 M HN 0.368 nan 8.290 nan 0.000 0.461 18 V N -0.777 119.100 119.914 -0.062 0.000 3.040 18 V HA 0.534 4.655 4.120 0.001 0.000 0.312 18 V C -0.450 175.695 176.094 0.085 0.000 1.115 18 V CA -1.125 61.180 62.300 0.008 0.000 0.998 18 V CB 2.123 33.946 31.823 0.001 0.000 1.042 18 V HN 0.757 nan 8.190 nan 0.000 0.433 19 D N 2.214 122.674 120.400 0.099 0.000 2.349 19 D HA 0.143 4.783 4.640 0.001 0.000 0.266 19 D C -1.136 175.289 176.300 0.209 0.000 1.293 19 D CA 0.266 54.344 54.000 0.131 0.000 0.926 19 D CB 0.280 41.122 40.800 0.069 0.000 1.090 19 D HN 0.559 nan 8.370 nan 0.000 0.502 20 F N 5.517 125.534 119.950 0.112 0.000 2.325 20 F HA 0.216 4.743 4.527 0.001 0.000 0.369 20 F C 0.094 176.057 175.800 0.273 0.000 1.095 20 F CA -0.730 57.344 58.000 0.124 0.000 1.082 20 F CB -0.003 39.111 39.000 0.190 0.000 1.289 20 F HN 0.392 nan 8.300 nan 0.000 0.462 21 H N 3.888 122.873 119.070 -0.142 0.000 2.626 21 H HA -0.189 4.368 4.556 0.001 0.000 0.317 21 H C 1.468 176.740 175.328 -0.093 0.000 1.140 21 H CA 1.040 56.984 56.048 -0.174 0.000 1.134 21 H CB -1.146 28.422 29.762 -0.323 0.000 1.486 21 H HN 1.128 nan 8.280 nan 0.000 0.417 22 G N -1.763 107.022 108.800 -0.025 0.000 2.179 22 G HA2 -0.290 3.670 3.960 0.001 0.000 0.260 22 G HA3 -0.290 3.670 3.960 0.001 0.000 0.260 22 G C -0.022 174.643 174.900 -0.392 0.000 0.977 22 G CA 0.348 45.316 45.100 -0.219 0.000 0.641 22 G HN 0.440 nan 8.290 nan 0.000 0.533 23 W N 0.100 121.486 121.300 0.144 0.000 2.573 23 W HA 0.793 5.453 4.660 0.001 0.000 0.326 23 W C 0.300 176.913 176.519 0.156 0.000 1.049 23 W CA -1.369 56.073 57.345 0.160 0.000 1.220 23 W CB 1.078 30.663 29.460 0.209 0.000 1.373 23 W HN -0.119 nan 8.180 nan 0.000 0.507 24 M N 4.784 124.610 119.600 0.375 0.000 2.193 24 M HA 0.231 4.711 4.480 0.001 0.000 0.342 24 M C -0.555 175.875 176.300 0.217 0.000 1.413 24 M CA 0.023 55.497 55.300 0.290 0.000 1.191 24 M CB -0.299 32.535 32.600 0.391 0.000 1.633 24 M HN 0.289 nan 8.290 nan 0.000 0.458 25 M N 5.142 124.795 119.600 0.089 0.000 2.591 25 M HA 0.570 5.051 4.480 0.001 0.000 0.306 25 M C -2.296 173.852 176.300 -0.254 0.000 1.190 25 M CA -3.120 52.121 55.300 -0.099 0.000 0.889 25 M CB 1.673 34.236 32.600 -0.062 0.000 1.728 25 M HN 0.113 nan 8.290 nan 0.000 0.458 26 P HA 0.118 nan 4.420 nan 0.000 0.271 26 P C 0.678 177.764 177.300 -0.356 0.000 1.233 26 P CA -0.196 62.572 63.100 -0.554 0.000 0.764 26 P CB 0.462 31.619 31.700 -0.906 0.000 0.825 27 L N 5.399 126.432 121.223 -0.316 0.000 2.056 27 L HA -0.002 4.338 4.340 0.001 0.000 0.207 27 L C 0.674 177.509 176.870 -0.057 0.000 1.078 27 L CA 1.907 56.645 54.840 -0.170 0.000 0.749 27 L CB -0.644 41.338 42.059 -0.127 0.000 0.901 27 L HN 0.616 nan 8.230 nan 0.000 0.433 28 H N -6.323 112.628 119.070 -0.198 0.000 2.932 28 H HA 0.354 4.910 4.556 0.000 0.000 0.307 28 H C -1.332 173.836 175.328 -0.267 0.000 1.391 28 H CA -0.863 55.127 56.048 -0.097 0.000 1.130 28 H CB -0.076 29.688 29.762 0.003 0.000 1.836 28 H HN -0.105 nan 8.280 nan 0.000 0.522 29 Y N 0.330 120.739 120.300 0.181 0.000 2.720 29 Y HA 0.543 5.094 4.550 0.001 0.000 0.268 29 Y C 1.374 177.394 175.900 0.199 0.000 1.142 29 Y CA 0.377 58.547 58.100 0.117 0.000 1.193 29 Y CB 1.103 39.611 38.460 0.080 0.000 1.176 29 Y HN 1.125 nan 8.280 nan 0.000 0.542 30 G N -0.655 108.476 108.800 0.551 0.000 3.898 30 G HA2 -0.135 3.825 3.960 0.001 0.000 0.196 30 G HA3 -0.135 3.825 3.960 0.001 0.000 0.196 30 G C -0.150 174.770 174.900 0.033 0.000 1.322 30 G CA 0.037 45.298 45.100 0.268 0.000 0.942 30 G HN 0.199 nan 8.290 nan 0.000 0.400 31 S N 0.749 116.457 115.700 0.014 0.000 2.750 31 S HA 0.471 4.942 4.470 0.001 0.000 0.276 31 S C 0.980 175.556 174.600 -0.040 0.000 1.165 31 S CA 0.735 58.869 58.200 -0.110 0.000 1.047 31 S CB 1.329 64.504 63.200 -0.041 0.000 1.056 31 S HN 0.806 nan 8.310 nan 0.000 0.481 32 Q N 4.581 124.322 119.800 -0.099 0.000 2.226 32 Q HA -0.071 4.270 4.340 0.001 0.000 0.204 32 Q C 1.185 177.240 176.000 0.092 0.000 0.975 32 Q CA 1.319 57.153 55.803 0.051 0.000 0.866 32 Q CB -0.206 28.567 28.738 0.060 0.000 0.915 32 Q HN 0.688 nan 8.270 nan 0.000 0.440 33 I N 1.951 122.540 120.570 0.032 0.000 2.315 33 I HA -0.215 3.956 4.170 0.001 0.000 0.248 33 I C 2.091 178.275 176.117 0.112 0.000 1.117 33 I CA 1.357 62.686 61.300 0.049 0.000 1.404 33 I CB -1.149 36.836 38.000 -0.024 0.000 1.071 33 I HN 0.399 nan 8.210 nan 0.000 0.419 34 D N 0.814 121.260 120.400 0.078 0.000 2.144 34 D HA -0.177 4.464 4.640 0.001 0.000 0.200 34 D C 1.978 178.368 176.300 0.149 0.000 0.978 34 D CA 1.071 55.134 54.000 0.105 0.000 0.833 34 D CB 0.353 41.187 40.800 0.057 0.000 0.961 34 D HN 0.420 nan 8.370 nan 0.000 0.470 35 E N -0.697 119.583 120.200 0.132 0.000 2.072 35 E HA -0.185 4.165 4.350 0.001 0.000 0.191 35 E C 2.007 178.700 176.600 0.155 0.000 0.985 35 E CA 0.794 57.258 56.400 0.107 0.000 0.801 35 E CB -0.151 29.619 29.700 0.116 0.000 0.750 35 E HN 0.440 nan 8.360 nan 0.000 0.452 36 H N -0.032 119.109 119.070 0.119 0.000 2.319 36 H HA -0.181 4.375 4.556 0.001 0.000 0.299 36 H C 2.281 177.677 175.328 0.113 0.000 1.092 36 H CA 2.021 58.146 56.048 0.129 0.000 1.302 36 H CB 0.022 29.853 29.762 0.115 0.000 1.373 36 H HN 0.211 nan 8.280 nan 0.000 0.497 37 H N -0.041 119.170 119.070 0.235 0.000 2.353 37 H HA -0.131 4.425 4.556 0.001 0.000 0.300 37 H C 2.192 177.554 175.328 0.057 0.000 1.090 37 H CA 1.213 57.347 56.048 0.143 0.000 1.327 37 H CB -0.144 29.670 29.762 0.087 0.000 1.383 37 H HN 0.556 nan 8.280 nan 0.000 0.508 38 A N 0.594 123.426 122.820 0.019 0.000 1.883 38 A HA -0.147 4.173 4.320 0.001 0.000 0.217 38 A C 2.832 180.347 177.584 -0.117 0.000 1.186 38 A CA 1.904 53.891 52.037 -0.084 0.000 0.624 38 A CB -1.030 17.941 19.000 -0.049 0.000 0.822 38 A HN 0.316 nan 8.150 nan 0.000 0.444 39 V N 0.126 119.998 119.914 -0.070 0.000 2.427 39 V HA -0.210 3.911 4.120 0.001 0.000 0.248 39 V C 2.652 178.686 176.094 -0.100 0.000 1.051 39 V CA 1.909 64.177 62.300 -0.054 0.000 1.048 39 V CB -0.793 31.047 31.823 0.028 0.000 0.666 39 V HN 0.453 nan 8.190 nan 0.000 0.456 40 R N 0.548 120.970 120.500 -0.131 0.000 2.152 40 R HA -0.096 4.245 4.340 0.001 0.000 0.232 40 R C 2.129 178.340 176.300 -0.148 0.000 1.117 40 R CA 1.852 57.881 56.100 -0.119 0.000 0.981 40 R CB -0.622 29.651 30.300 -0.045 0.000 0.870 40 R HN 0.749 nan 8.270 nan 0.000 0.451 41 T N -4.276 110.141 114.554 -0.228 0.000 2.975 41 T HA 0.127 4.478 4.350 0.001 0.000 0.261 41 T C 0.544 175.146 174.700 -0.163 0.000 0.984 41 T CA 0.159 62.121 62.100 -0.229 0.000 0.911 41 T CB 0.616 69.246 68.868 -0.398 0.000 1.127 41 T HN 0.070 nan 8.240 nan 0.000 0.514 42 D N 1.360 121.672 120.400 -0.147 0.000 2.295 42 D HA 0.566 5.206 4.640 0.001 0.000 0.088 42 D C -1.275 174.960 176.300 -0.107 0.000 1.406 42 D CA 0.594 54.524 54.000 -0.117 0.000 1.347 42 D CB 0.629 41.361 40.800 -0.113 0.000 2.470 42 D HN 0.459 nan 8.370 nan 0.000 0.195 43 A N -0.157 122.596 122.820 -0.112 0.000 2.513 43 A HA 0.717 5.037 4.320 0.001 0.000 0.296 43 A C -0.311 177.195 177.584 -0.131 0.000 1.052 43 A CA -0.037 51.936 52.037 -0.108 0.000 0.714 43 A CB 1.611 20.540 19.000 -0.118 0.000 1.279 43 A HN 0.533 nan 8.150 nan 0.000 0.397 44 G N 0.650 109.381 108.800 -0.114 0.000 2.630 44 G HA2 0.825 4.785 3.960 0.001 0.000 0.296 44 G HA3 0.825 4.785 3.960 0.001 0.000 0.296 44 G C -0.574 174.181 174.900 -0.242 0.000 1.285 44 G CA -0.439 44.530 45.100 -0.218 0.000 0.958 44 G HN 1.490 nan 8.290 nan 0.000 0.479 45 M N -0.802 118.514 119.600 -0.474 0.000 2.575 45 M HA 0.835 5.315 4.480 0.001 0.000 0.284 45 M C -2.044 174.021 176.300 -0.392 0.000 1.253 45 M CA -0.799 54.332 55.300 -0.282 0.000 0.861 45 M CB 2.554 34.948 32.600 -0.343 0.000 1.733 45 M HN 0.296 nan 8.290 nan 0.000 0.462 46 F N -0.246 119.862 119.950 0.263 0.000 2.588 46 F HA 0.484 5.011 4.527 0.000 0.000 0.310 46 F C -0.634 175.462 175.800 0.493 0.000 1.082 46 F CA -0.714 57.522 58.000 0.393 0.000 0.929 46 F CB 1.511 40.668 39.000 0.262 0.000 1.254 46 F HN 0.626 nan 8.300 nan 0.000 0.455 47 D N 1.602 122.368 120.400 0.610 0.000 2.347 47 D HA 0.333 4.974 4.640 0.001 0.000 0.235 47 D C 0.095 176.575 176.300 0.301 0.000 1.149 47 D CA -0.123 54.116 54.000 0.398 0.000 0.850 47 D CB 1.473 42.383 40.800 0.184 0.000 1.061 47 D HN 0.385 nan 8.370 nan 0.000 0.487 48 V N 1.489 121.602 119.914 0.332 0.000 3.043 48 V HA 0.232 4.352 4.120 0.001 0.000 0.357 48 V C 1.181 177.473 176.094 0.329 0.000 1.372 48 V CA -0.333 62.197 62.300 0.384 0.000 1.214 48 V CB -0.043 31.952 31.823 0.286 0.000 1.224 48 V HN 0.329 nan 8.190 nan 0.000 0.507 49 S N 1.953 117.778 115.700 0.209 0.000 2.507 49 S HA -0.111 4.359 4.470 0.001 0.000 0.235 49 S C 1.732 176.300 174.600 -0.054 0.000 0.988 49 S CA 1.578 59.815 58.200 0.061 0.000 0.944 49 S CB -0.498 62.699 63.200 -0.006 0.000 0.762 49 S HN 1.032 nan 8.310 nan 0.000 0.526 50 H N 0.210 119.063 119.070 -0.362 0.000 2.551 50 H HA 0.294 4.851 4.556 0.000 0.000 0.266 50 H C 0.456 175.635 175.328 -0.248 0.000 0.977 50 H CA -0.190 55.471 56.048 -0.645 0.000 1.163 50 H CB -0.728 28.448 29.762 -0.976 0.000 1.381 50 H HN 0.344 nan 8.280 nan 0.000 0.581 51 M N 1.653 121.085 119.600 -0.280 0.000 2.242 51 M HA 0.147 4.627 4.480 0.001 0.000 0.344 51 M C -0.120 176.127 176.300 -0.089 0.000 1.140 51 M CA 0.205 55.374 55.300 -0.218 0.000 1.160 51 M CB 0.985 33.498 32.600 -0.146 0.000 1.491 51 M HN -0.027 nan 8.290 nan 0.000 0.459 52 T N 3.824 118.346 114.554 -0.054 0.000 2.771 52 T HA 0.526 4.876 4.350 0.001 0.000 0.291 52 T C -0.101 174.602 174.700 0.005 0.000 0.954 52 T CA -0.399 61.698 62.100 -0.006 0.000 1.045 52 T CB 0.249 69.124 68.868 0.013 0.000 0.917 52 T HN 0.395 nan 8.240 nan 0.000 0.484 53 I N 3.384 123.961 120.570 0.012 0.000 2.321 53 I HA 0.390 4.561 4.170 0.001 0.000 0.291 53 I C -0.458 175.679 176.117 0.034 0.000 0.998 53 I CA -0.809 60.499 61.300 0.013 0.000 1.227 53 I CB 1.438 39.423 38.000 -0.025 0.000 1.368 53 I HN 0.258 nan 8.210 nan 0.000 0.466 54 V N 5.164 125.115 119.914 0.063 0.000 2.378 54 V HA 0.322 4.442 4.120 0.001 0.000 0.288 54 V C -0.655 175.527 176.094 0.146 0.000 1.016 54 V CA -0.748 61.607 62.300 0.092 0.000 0.840 54 V CB 1.578 33.460 31.823 0.099 0.000 0.994 54 V HN 0.558 nan 8.190 nan 0.000 0.431 55 D N 4.841 125.342 120.400 0.169 0.000 2.225 55 D HA 0.579 5.219 4.640 0.001 0.000 0.248 55 D C -0.422 176.043 176.300 0.274 0.000 1.096 55 D CA 0.026 54.214 54.000 0.312 0.000 0.863 55 D CB 1.857 42.838 40.800 0.302 0.000 1.156 55 D HN 0.348 nan 8.370 nan 0.000 0.450 56 L N 2.784 124.234 121.223 0.379 0.000 2.325 56 L HA 0.553 4.893 4.340 0.001 0.000 0.281 56 L C 0.318 177.414 176.870 0.377 0.000 1.004 56 L CA -0.685 54.333 54.840 0.295 0.000 0.823 56 L CB 1.578 43.800 42.059 0.272 0.000 1.236 56 L HN 0.054 nan 8.230 nan 0.000 0.415 57 R N 1.817 122.449 120.500 0.219 0.000 2.686 57 R HA 0.871 5.212 4.340 0.001 0.000 0.283 57 R C -0.551 175.830 176.300 0.135 0.000 0.978 57 R CA -0.840 55.381 56.100 0.202 0.000 0.897 57 R CB 2.530 32.859 30.300 0.049 0.000 1.192 57 R HN 0.835 nan 8.270 nan 0.000 0.457 58 G N -0.244 108.651 108.800 0.158 0.000 2.321 58 G HA2 -0.106 3.855 3.960 0.001 0.000 0.339 58 G HA3 -0.106 3.855 3.960 0.001 0.000 0.339 58 G C 0.223 175.215 174.900 0.153 0.000 1.518 58 G CA -0.210 44.961 45.100 0.119 0.000 0.994 58 G HN 0.545 nan 8.290 nan 0.000 0.668 59 S N -0.549 115.228 115.700 0.127 0.000 2.474 59 S HA -0.045 4.425 4.470 0.001 0.000 0.235 59 S C 1.604 176.292 174.600 0.148 0.000 0.997 59 S CA 1.302 59.585 58.200 0.139 0.000 0.949 59 S CB -0.067 63.197 63.200 0.107 0.000 0.766 59 S HN 0.658 nan 8.310 nan 0.000 0.517 60 R N 0.795 121.383 120.500 0.146 0.000 2.426 60 R HA 0.230 4.570 4.340 0.001 0.000 0.263 60 R C 1.165 177.535 176.300 0.118 0.000 0.961 60 R CA 0.462 56.663 56.100 0.168 0.000 1.086 60 R CB -0.288 30.168 30.300 0.260 0.000 1.186 60 R HN 0.396 nan 8.270 nan 0.000 0.537 61 T N 1.013 115.632 114.554 0.109 0.000 2.746 61 T HA -0.176 4.174 4.350 0.001 0.000 0.267 61 T C 1.783 176.352 174.700 -0.218 0.000 1.039 61 T CA 1.163 63.280 62.100 0.027 0.000 1.142 61 T CB -0.047 68.912 68.868 0.152 0.000 0.866 61 T HN 0.320 nan 8.240 nan 0.000 0.444 62 R N 1.052 121.442 120.500 -0.184 0.000 2.075 62 R HA -0.096 4.245 4.340 0.001 0.000 0.232 62 R C 2.469 178.642 176.300 -0.212 0.000 1.126 62 R CA 1.675 57.584 56.100 -0.318 0.000 0.963 62 R CB -0.184 30.149 30.300 0.055 0.000 0.858 62 R HN 0.532 nan 8.270 nan 0.000 0.435 63 E N -0.344 119.808 120.200 -0.080 0.000 2.085 63 E HA -0.243 4.107 4.350 0.001 0.000 0.194 63 E C 1.740 178.206 176.600 -0.222 0.000 0.994 63 E CA 1.377 57.749 56.400 -0.046 0.000 0.801 63 E CB -0.274 29.497 29.700 0.117 0.000 0.743 63 E HN 0.383 nan 8.360 nan 0.000 0.453 64 F N 1.382 120.963 119.950 -0.616 0.000 2.095 64 F HA -0.160 4.367 4.527 0.000 0.000 0.298 64 F C 1.871 177.361 175.800 -0.516 0.000 1.104 64 F CA 1.436 58.811 58.000 -1.040 0.000 1.232 64 F CB -0.359 38.112 39.000 -0.882 0.000 0.987 64 F HN 0.016 nan 8.300 nan 0.000 0.475 65 L N -0.078 120.748 121.223 -0.662 0.000 2.109 65 L HA -0.127 4.213 4.340 0.001 0.000 0.207 65 L C 2.630 179.200 176.870 -0.500 0.000 1.086 65 L CA 1.011 55.425 54.840 -0.710 0.000 0.760 65 L CB -0.578 41.116 42.059 -0.608 0.000 0.910 65 L HN 0.035 nan 8.230 nan 0.000 0.437 66 R N -1.109 119.184 120.500 -0.345 0.000 2.159 66 R HA -0.230 4.110 4.340 0.001 0.000 0.237 66 R C 2.124 178.377 176.300 -0.078 0.000 1.131 66 R CA 1.606 57.590 56.100 -0.193 0.000 0.982 66 R CB -0.323 29.913 30.300 -0.105 0.000 0.868 66 R HN 0.332 nan 8.270 nan 0.000 0.453 67 Y N 0.449 120.595 120.300 -0.257 0.000 2.301 67 Y HA -0.030 4.521 4.550 0.000 0.000 0.295 67 Y C 1.903 177.674 175.900 -0.215 0.000 1.119 67 Y CA 0.570 58.587 58.100 -0.139 0.000 1.162 67 Y CB -0.139 38.282 38.460 -0.065 0.000 1.046 67 Y HN -0.088 nan 8.280 nan 0.000 0.538 68 L N 0.164 121.040 121.223 -0.578 0.000 2.093 68 L HA 0.050 4.390 4.340 0.001 0.000 0.208 68 L C 0.186 176.797 176.870 -0.432 0.000 1.085 68 L CA 1.351 55.814 54.840 -0.627 0.000 0.755 68 L CB -0.305 41.201 42.059 -0.922 0.000 0.904 68 L HN 0.087 nan 8.230 nan 0.000 0.435 69 L N -2.001 118.952 121.223 -0.451 0.000 2.334 69 L HA 0.461 4.801 4.340 0.001 0.000 0.270 69 L C 1.154 177.599 176.870 -0.709 0.000 1.018 69 L CA -0.063 54.492 54.840 -0.475 0.000 0.811 69 L CB 1.385 43.176 42.059 -0.447 0.000 1.271 69 L HN -0.092 nan 8.230 nan 0.000 0.443 70 A N 0.929 123.239 122.820 -0.851 0.000 2.030 70 A HA 0.014 4.335 4.320 0.001 0.000 0.215 70 A C 1.027 177.911 177.584 -1.168 0.000 1.164 70 A CA 0.427 51.571 52.037 -1.488 0.000 0.697 70 A CB -0.239 18.157 19.000 -1.007 0.000 0.827 70 A HN 0.757 nan 8.150 nan 0.000 0.457 71 N N 0.578 118.821 118.700 -0.762 0.000 2.327 71 N HA 0.156 4.896 4.740 0.001 0.000 0.257 71 N C -1.376 173.844 175.510 -0.484 0.000 1.281 71 N CA -0.035 52.670 53.050 -0.576 0.000 0.942 71 N CB 0.587 38.793 38.487 -0.469 0.000 1.199 71 N HN 0.154 nan 8.380 nan 0.000 0.532 72 D N 0.150 120.351 120.400 -0.332 0.000 2.505 72 D HA 0.155 4.796 4.640 0.001 0.000 0.250 72 D C 0.842 177.030 176.300 -0.186 0.000 1.164 72 D CA -0.591 53.259 54.000 -0.249 0.000 0.870 72 D CB 0.992 41.684 40.800 -0.178 0.000 1.160 72 D HN 0.249 nan 8.370 nan 0.000 0.549 73 V N 2.299 122.104 119.914 -0.183 0.000 3.305 73 V HA 0.081 4.202 4.120 0.001 0.000 0.269 73 V C 1.878 177.918 176.094 -0.090 0.000 1.157 73 V CA 1.352 63.584 62.300 -0.113 0.000 1.157 73 V CB -0.807 30.956 31.823 -0.100 0.000 0.772 73 V HN 0.485 nan 8.190 nan 0.000 0.498 74 A N 0.669 123.428 122.820 -0.103 0.000 2.067 74 A HA -0.103 4.217 4.320 0.001 0.000 0.219 74 A C 2.199 179.721 177.584 -0.103 0.000 1.158 74 A CA 1.618 53.600 52.037 -0.092 0.000 0.661 74 A CB -0.527 18.436 19.000 -0.062 0.000 0.801 74 A HN 0.598 nan 8.150 nan 0.000 0.452 75 K N -0.378 119.961 120.400 -0.101 0.000 2.360 75 K HA -0.008 4.312 4.320 0.001 0.000 0.201 75 K C -0.138 176.392 176.600 -0.116 0.000 1.046 75 K CA 0.493 56.724 56.287 -0.093 0.000 0.940 75 K CB -0.304 32.142 32.500 -0.090 0.000 0.748 75 K HN 0.460 nan 8.250 nan 0.000 0.465 76 L N 2.086 123.210 121.223 -0.164 0.000 2.358 76 L HA 0.091 4.432 4.340 0.001 0.000 0.274 76 L C 1.092 177.732 176.870 -0.384 0.000 1.136 76 L CA -0.307 54.400 54.840 -0.221 0.000 0.970 76 L CB 0.228 42.180 42.059 -0.178 0.000 1.314 76 L HN 0.172 nan 8.230 nan 0.000 0.427 77 T N -2.360 112.084 114.554 -0.183 0.000 3.014 77 T HA 0.129 4.479 4.350 0.001 0.000 0.250 77 T C 0.707 175.439 174.700 0.053 0.000 1.060 77 T CA -0.127 61.889 62.100 -0.140 0.000 1.040 77 T CB 0.206 69.040 68.868 -0.056 0.000 0.971 77 T HN 0.206 nan 8.240 nan 0.000 0.497 78 K N 1.922 122.424 120.400 0.170 0.000 2.159 78 K HA 0.609 4.929 4.320 0.001 0.000 0.266 78 K C -0.159 176.699 176.600 0.429 0.000 0.975 78 K CA -0.340 56.135 56.287 0.314 0.000 0.865 78 K CB 1.632 34.367 32.500 0.392 0.000 1.087 78 K HN -0.046 nan 8.250 nan 0.000 0.446 79 S N 1.536 117.443 115.700 0.345 0.000 2.626 79 S HA 0.183 4.653 4.470 0.001 0.000 0.303 79 S C 1.292 176.035 174.600 0.240 0.000 1.256 79 S CA 1.545 59.823 58.200 0.130 0.000 1.069 79 S CB -0.391 62.849 63.200 0.068 0.000 0.807 79 S HN 0.877 nan 8.310 nan 0.000 0.500 80 G N 2.874 111.726 108.800 0.087 0.000 2.175 80 G HA2 -0.253 3.707 3.960 0.001 0.000 0.244 80 G HA3 -0.253 3.707 3.960 0.001 0.000 0.244 80 G C 0.039 174.932 174.900 -0.011 0.000 0.982 80 G CA 0.440 45.664 45.100 0.207 0.000 0.641 80 G HN 0.714 nan 8.290 nan 0.000 0.527 81 K N 1.280 121.544 120.400 -0.226 0.000 2.326 81 K HA 0.717 5.037 4.320 0.001 0.000 0.275 81 K C 0.363 176.760 176.600 -0.337 0.000 1.018 81 K CA 0.639 56.484 56.287 -0.736 0.000 0.962 81 K CB 0.816 32.995 32.500 -0.536 0.000 0.953 81 K HN 1.024 nan 8.250 nan 0.000 0.475 82 A N 3.500 126.140 122.820 -0.300 0.000 2.413 82 A HA 0.773 5.094 4.320 0.001 0.000 0.307 82 A C -1.560 176.039 177.584 0.025 0.000 1.087 82 A CA -0.813 51.108 52.037 -0.192 0.000 0.750 82 A CB 0.719 19.476 19.000 -0.405 0.000 1.296 82 A HN 0.664 nan 8.150 nan 0.000 0.423 83 L N -1.487 119.743 121.223 0.011 0.000 2.359 83 L HA 0.803 5.143 4.340 0.001 0.000 0.256 83 L C -0.787 176.180 176.870 0.162 0.000 1.026 83 L CA -0.958 53.922 54.840 0.067 0.000 0.828 83 L CB 1.052 43.067 42.059 -0.073 0.000 1.406 83 L HN 0.680 nan 8.230 nan 0.000 0.413 84 Y N 0.400 120.707 120.300 0.011 0.000 2.323 84 Y HA 0.782 5.332 4.550 0.000 0.000 0.331 84 Y C -0.106 175.674 175.900 -0.201 0.000 1.092 84 Y CA -0.100 58.003 58.100 0.004 0.000 1.150 84 Y CB 1.532 40.043 38.460 0.085 0.000 1.200 84 Y HN 0.968 nan 8.280 nan 0.000 0.472 85 S N 3.238 118.556 115.700 -0.637 0.000 2.579 85 S HA 0.778 5.248 4.470 0.001 0.000 0.272 85 S C -0.630 173.517 174.600 -0.755 0.000 1.141 85 S CA -0.261 57.508 58.200 -0.720 0.000 0.843 85 S CB 1.048 63.961 63.200 -0.478 0.000 1.122 85 S HN 1.212 nan 8.310 nan 0.000 0.468 86 G N 1.410 109.814 108.800 -0.660 0.000 2.451 86 G HA2 0.592 4.553 3.960 0.001 0.000 0.303 86 G HA3 0.592 4.553 3.960 0.001 0.000 0.303 86 G C -0.858 173.804 174.900 -0.398 0.000 1.166 86 G CA -0.550 44.269 45.100 -0.469 0.000 0.884 86 G HN 0.710 nan 8.290 nan 0.000 0.514 87 M N 1.991 121.398 119.600 -0.321 0.000 2.142 87 M HA 0.530 5.010 4.480 0.001 0.000 0.299 87 M C -1.408 174.712 176.300 -0.301 0.000 0.960 87 M CA -0.590 54.534 55.300 -0.294 0.000 0.920 87 M CB 1.084 33.528 32.600 -0.260 0.000 1.541 87 M HN 0.298 nan 8.290 nan 0.000 0.429 88 L N 3.395 124.470 121.223 -0.246 0.000 2.334 88 L HA 0.584 4.925 4.340 0.001 0.000 0.270 88 L C 0.035 176.749 176.870 -0.260 0.000 1.018 88 L CA -1.201 53.509 54.840 -0.217 0.000 0.811 88 L CB 1.621 43.617 42.059 -0.104 0.000 1.271 88 L HN 0.744 nan 8.230 nan 0.000 0.443 89 N N 0.748 119.276 118.700 -0.286 0.000 2.364 89 N HA 0.206 4.946 4.740 0.001 0.000 0.264 89 N C 0.628 176.139 175.510 0.002 0.000 1.263 89 N CA -0.020 52.902 53.050 -0.214 0.000 0.959 89 N CB 0.530 38.862 38.487 -0.258 0.000 1.204 89 N HN 0.649 nan 8.380 nan 0.000 0.550 90 A N -0.694 122.186 122.820 0.100 0.000 2.070 90 A HA -0.070 4.250 4.320 0.001 0.000 0.220 90 A C 1.599 179.211 177.584 0.047 0.000 1.159 90 A CA 1.275 53.369 52.037 0.094 0.000 0.656 90 A CB -0.928 18.160 19.000 0.146 0.000 0.800 90 A HN 0.659 nan 8.150 nan 0.000 0.453 91 S N -1.642 114.077 115.700 0.031 0.000 2.575 91 S HA 0.370 4.840 4.470 0.001 0.000 0.215 91 S C 1.415 176.024 174.600 0.015 0.000 0.966 91 S CA 0.688 58.903 58.200 0.024 0.000 0.911 91 S CB 0.167 63.382 63.200 0.023 0.000 0.780 91 S HN 1.559 nan 8.310 nan 0.000 0.514 92 G N 1.258 110.058 108.800 0.000 0.000 2.176 92 G HA2 -0.179 3.782 3.960 0.001 0.000 0.253 92 G HA3 -0.179 3.782 3.960 0.001 0.000 0.253 92 G C 0.334 175.223 174.900 -0.019 0.000 0.979 92 G CA -0.273 44.827 45.100 -0.000 0.000 0.641 92 G HN 0.822 nan 8.290 nan 0.000 0.530 93 G N -0.827 107.953 108.800 -0.034 0.000 2.539 93 G HA2 0.576 4.536 3.960 0.001 0.000 0.258 93 G HA3 0.576 4.536 3.960 0.001 0.000 0.258 93 G C 0.206 175.062 174.900 -0.073 0.000 1.202 93 G CA 0.144 45.219 45.100 -0.041 0.000 0.851 93 G HN 0.945 nan 8.290 nan 0.000 0.556 94 V N 2.298 122.190 119.914 -0.037 0.000 2.427 94 V HA 0.096 4.216 4.120 0.001 0.000 0.268 94 V C 1.272 177.387 176.094 0.035 0.000 1.046 94 V CA -0.101 62.190 62.300 -0.015 0.000 0.970 94 V CB 0.801 32.661 31.823 0.062 0.000 1.001 94 V HN 0.670 nan 8.190 nan 0.000 0.476 95 I N 2.066 122.521 120.570 -0.192 0.000 2.277 95 I HA 0.062 4.232 4.170 0.001 0.000 0.243 95 I C 0.802 176.617 176.117 -0.504 0.000 1.094 95 I CA 1.284 62.386 61.300 -0.331 0.000 1.393 95 I CB 0.208 37.821 38.000 -0.645 0.000 1.078 95 I HN 0.635 nan 8.210 nan 0.000 0.417 96 D N -0.665 119.458 120.400 -0.462 0.000 2.639 96 D HA 0.184 4.824 4.640 0.001 0.000 0.271 96 D C -1.850 174.280 176.300 -0.284 0.000 1.254 96 D CA -0.532 53.097 54.000 -0.619 0.000 0.810 96 D CB 1.769 42.254 40.800 -0.525 0.000 1.351 96 D HN 0.019 nan 8.370 nan 0.000 0.427 97 D N 0.153 120.452 120.400 -0.167 0.000 2.340 97 D HA 0.677 5.318 4.640 0.001 0.000 0.243 97 D C -0.308 175.928 176.300 -0.107 0.000 0.988 97 D CA -0.484 53.424 54.000 -0.154 0.000 0.959 97 D CB 1.559 42.349 40.800 -0.017 0.000 1.226 97 D HN 0.372 nan 8.370 nan 0.000 0.509 98 L N -3.257 117.900 121.223 -0.110 0.000 2.892 98 L HA 0.619 4.960 4.340 0.001 0.000 0.269 98 L C -1.285 175.605 176.870 0.035 0.000 1.058 98 L CA -1.058 53.759 54.840 -0.038 0.000 0.923 98 L CB 0.972 42.971 42.059 -0.101 0.000 1.518 98 L HN 0.441 nan 8.230 nan 0.000 0.402 99 I N 1.003 121.583 120.570 0.017 0.000 2.603 99 I HA 0.793 4.964 4.170 0.001 0.000 0.300 99 I C -0.900 175.112 176.117 -0.175 0.000 1.017 99 I CA -1.244 60.021 61.300 -0.057 0.000 1.098 99 I CB 2.216 40.134 38.000 -0.137 0.000 1.279 99 I HN 0.581 nan 8.210 nan 0.000 0.437 100 V N 6.205 125.958 119.914 -0.267 0.000 2.823 100 V HA 0.564 4.684 4.120 0.001 0.000 0.312 100 V C -1.812 174.075 176.094 -0.344 0.000 1.072 100 V CA -0.302 61.893 62.300 -0.175 0.000 0.937 100 V CB 2.122 33.905 31.823 -0.067 0.000 1.013 100 V HN 0.552 nan 8.190 nan 0.000 0.430 101 Y N 5.150 125.371 120.300 -0.132 0.000 2.425 101 Y HA 0.553 5.103 4.550 0.000 0.000 0.344 101 Y C -0.701 174.786 175.900 -0.689 0.000 0.969 101 Y CA -0.645 57.227 58.100 -0.379 0.000 1.052 101 Y CB 1.908 40.102 38.460 -0.443 0.000 1.215 101 Y HN 0.761 nan 8.280 nan 0.000 0.451 102 Y N 3.224 123.090 120.300 -0.723 0.000 2.328 102 Y HA 0.461 5.011 4.550 0.000 0.000 0.337 102 Y C -0.914 174.360 175.900 -1.044 0.000 1.008 102 Y CA -1.289 56.166 58.100 -1.076 0.000 1.129 102 Y CB 0.448 38.487 38.460 -0.701 0.000 1.185 102 Y HN 0.578 nan 8.280 nan 0.000 0.476 103 F N 1.526 120.773 119.950 -1.172 0.000 2.479 103 F HA 0.251 4.778 4.527 0.000 0.000 0.280 103 F C 1.093 176.251 175.800 -1.070 0.000 0.982 103 F CA 0.796 58.227 58.000 -0.948 0.000 1.276 103 F CB -0.333 38.209 39.000 -0.764 0.000 1.137 103 F HN 0.501 nan 8.300 nan 0.000 0.660 104 T N -3.456 110.710 114.554 -0.646 0.000 2.812 104 T HA 0.292 4.642 4.350 0.001 0.000 0.294 104 T C 0.673 175.384 174.700 0.019 0.000 1.159 104 T CA -0.584 61.323 62.100 -0.320 0.000 1.008 104 T CB 1.899 70.786 68.868 0.031 0.000 1.289 104 T HN -0.141 nan 8.240 nan 0.000 0.514 105 E N 0.591 120.972 120.200 0.302 0.000 2.147 105 E HA -0.147 4.203 4.350 0.001 0.000 0.199 105 E C 0.773 177.641 176.600 0.447 0.000 1.005 105 E CA 1.554 58.202 56.400 0.412 0.000 0.810 105 E CB -0.215 29.651 29.700 0.277 0.000 0.736 105 E HN 0.619 nan 8.360 nan 0.000 0.460 106 D N -1.471 119.134 120.400 0.342 0.000 2.368 106 D HA 0.063 4.703 4.640 0.001 0.000 0.218 106 D C -0.582 175.996 176.300 0.464 0.000 1.112 106 D CA -0.049 54.158 54.000 0.345 0.000 0.834 106 D CB 0.231 41.165 40.800 0.223 0.000 0.953 106 D HN -0.030 nan 8.370 nan 0.000 0.505 107 F N 1.176 121.301 119.950 0.292 0.000 2.839 107 F HA 0.377 4.905 4.527 0.001 0.000 0.344 107 F C -2.158 173.774 175.800 0.220 0.000 1.242 107 F CA -1.373 56.788 58.000 0.268 0.000 1.091 107 F CB 0.178 39.279 39.000 0.169 0.000 1.374 107 F HN -0.360 nan 8.300 nan 0.000 0.553 108 F N 4.460 124.513 119.950 0.171 0.000 2.611 108 F HA 0.719 5.246 4.527 0.001 0.000 0.324 108 F C -0.338 175.449 175.800 -0.021 0.000 1.061 108 F CA -0.911 57.023 58.000 -0.111 0.000 0.954 108 F CB 2.161 41.173 39.000 0.021 0.000 1.301 108 F HN 0.483 nan 8.300 nan 0.000 0.482 109 R N 1.885 122.444 120.500 0.100 0.000 2.686 109 R HA 0.796 5.136 4.340 0.001 0.000 0.283 109 R C -2.207 174.227 176.300 0.224 0.000 0.978 109 R CA -0.568 55.652 56.100 0.201 0.000 0.897 109 R CB 1.544 31.945 30.300 0.168 0.000 1.192 109 R HN 0.758 nan 8.270 nan 0.000 0.457 110 L N 3.618 124.947 121.223 0.177 0.000 2.346 110 L HA 0.632 4.972 4.340 0.001 0.000 0.274 110 L C -0.846 176.100 176.870 0.126 0.000 1.007 110 L CA -1.294 53.621 54.840 0.125 0.000 0.818 110 L CB 2.215 44.319 42.059 0.075 0.000 1.284 110 L HN 0.330 nan 8.230 nan 0.000 0.424 111 V N 3.164 123.150 119.914 0.119 0.000 2.483 111 V HA 0.505 4.625 4.120 0.001 0.000 0.297 111 V C -0.034 176.071 176.094 0.020 0.000 1.027 111 V CA -0.653 61.703 62.300 0.092 0.000 0.855 111 V CB 1.998 33.925 31.823 0.175 0.000 0.995 111 V HN 0.559 nan 8.190 nan 0.000 0.424 112 V N 1.956 121.859 119.914 -0.019 0.000 3.103 112 V HA 0.697 4.817 4.120 0.001 0.000 0.318 112 V C 0.241 176.274 176.094 -0.102 0.000 1.114 112 V CA -1.102 61.156 62.300 -0.069 0.000 1.020 112 V CB 1.856 33.632 31.823 -0.080 0.000 1.085 112 V HN 0.708 nan 8.190 nan 0.000 0.446 113 N N 1.306 119.924 118.700 -0.137 0.000 2.267 113 N HA 0.038 4.779 4.740 0.001 0.000 0.226 113 N C 1.466 176.881 175.510 -0.159 0.000 1.314 113 N CA 0.751 53.712 53.050 -0.150 0.000 0.887 113 N CB 0.995 39.406 38.487 -0.128 0.000 1.120 113 N HN 1.020 nan 8.380 nan 0.000 0.440 114 S N -0.178 115.407 115.700 -0.191 0.000 2.371 114 S HA -0.011 4.460 4.470 0.001 0.000 0.221 114 S C 1.868 176.405 174.600 -0.105 0.000 1.036 114 S CA 0.638 58.752 58.200 -0.144 0.000 0.965 114 S CB -0.421 62.656 63.200 -0.205 0.000 0.845 114 S HN 0.630 nan 8.310 nan 0.000 0.475 115 A N 2.111 124.754 122.820 -0.294 0.000 1.972 115 A HA -0.016 4.305 4.320 0.001 0.000 0.219 115 A C 2.305 179.756 177.584 -0.223 0.000 1.169 115 A CA 1.905 53.663 52.037 -0.466 0.000 0.635 115 A CB -1.335 17.133 19.000 -0.887 0.000 0.810 115 A HN 0.782 nan 8.150 nan 0.000 0.446 116 T N -3.262 111.179 114.554 -0.189 0.000 3.163 116 T HA 0.176 4.527 4.350 0.001 0.000 0.252 116 T C 1.452 176.089 174.700 -0.106 0.000 1.056 116 T CA 0.314 62.309 62.100 -0.174 0.000 0.947 116 T CB -0.037 68.641 68.868 -0.317 0.000 1.016 116 T HN 0.524 nan 8.240 nan 0.000 0.554 117 R N 1.609 122.075 120.500 -0.056 0.000 2.094 117 R HA -0.156 4.184 4.340 0.001 0.000 0.239 117 R C 1.868 178.176 176.300 0.013 0.000 1.137 117 R CA 1.824 57.921 56.100 -0.006 0.000 0.943 117 R CB -0.164 30.166 30.300 0.050 0.000 0.850 117 R HN 0.290 nan 8.270 nan 0.000 0.433 118 E N 0.665 120.876 120.200 0.018 0.000 2.107 118 E HA -0.167 4.183 4.350 0.001 0.000 0.191 118 E C 1.852 178.478 176.600 0.044 0.000 0.982 118 E CA 0.930 57.351 56.400 0.035 0.000 0.809 118 E CB -0.195 29.523 29.700 0.030 0.000 0.756 118 E HN 0.394 nan 8.360 nan 0.000 0.459 119 K N 0.925 121.336 120.400 0.020 0.000 2.009 119 K HA -0.191 4.130 4.320 0.001 0.000 0.210 119 K C 1.532 178.175 176.600 0.072 0.000 1.049 119 K CA 1.849 58.155 56.287 0.031 0.000 0.929 119 K CB 0.038 32.520 32.500 -0.030 0.000 0.714 119 K HN -0.097 nan 8.250 nan 0.000 0.440 120 D N 0.754 121.165 120.400 0.017 0.000 2.097 120 D HA -0.139 4.501 4.640 0.001 0.000 0.195 120 D C 1.988 178.376 176.300 0.146 0.000 0.989 120 D CA 1.022 55.054 54.000 0.053 0.000 0.827 120 D CB -0.171 40.614 40.800 -0.025 0.000 0.966 120 D HN 0.208 nan 8.370 nan 0.000 0.456 121 L N 0.412 121.697 121.223 0.103 0.000 2.046 121 L HA -0.158 4.182 4.340 0.001 0.000 0.208 121 L C 2.425 179.375 176.870 0.132 0.000 1.077 121 L CA 0.959 55.863 54.840 0.107 0.000 0.747 121 L CB -0.338 41.765 42.059 0.074 0.000 0.896 121 L HN -0.030 nan 8.230 nan 0.000 0.432 122 S N -1.169 114.617 115.700 0.142 0.000 2.368 122 S HA -0.194 4.276 4.470 0.001 0.000 0.224 122 S C 1.595 176.326 174.600 0.217 0.000 1.029 122 S CA 0.942 59.229 58.200 0.145 0.000 0.988 122 S CB -0.375 62.908 63.200 0.139 0.000 0.838 122 S HN 0.517 nan 8.310 nan 0.000 0.462 123 W N 2.176 123.536 121.300 0.100 0.000 2.335 123 W HA -0.158 4.502 4.660 0.000 0.000 0.311 123 W C 1.699 178.397 176.519 0.299 0.000 1.213 123 W CA 1.245 58.708 57.345 0.198 0.000 1.274 123 W CB -0.418 29.107 29.460 0.107 0.000 1.148 123 W HN 0.268 nan 8.180 nan 0.000 0.498 124 I N 0.926 121.700 120.570 0.339 0.000 2.252 124 I HA -0.334 3.836 4.170 0.001 0.000 0.245 124 I C 2.601 178.818 176.117 0.167 0.000 1.102 124 I CA 2.092 63.572 61.300 0.300 0.000 1.385 124 I CB -0.877 37.281 38.000 0.263 0.000 1.064 124 I HN -0.035 nan 8.210 nan 0.000 0.414 125 T N -1.884 112.723 114.554 0.089 0.000 2.896 125 T HA -0.194 4.156 4.350 0.001 0.000 0.263 125 T C 1.815 176.484 174.700 -0.052 0.000 1.050 125 T CA 0.878 62.981 62.100 0.005 0.000 1.140 125 T CB -0.409 68.465 68.868 0.010 0.000 0.877 125 T HN 0.349 nan 8.240 nan 0.000 0.457 126 Q N 0.597 120.348 119.800 -0.082 0.000 2.062 126 Q HA -0.265 4.075 4.340 0.001 0.000 0.209 126 Q C 2.047 177.860 176.000 -0.312 0.000 0.996 126 Q CA 2.241 57.897 55.803 -0.245 0.000 0.859 126 Q CB -0.228 28.279 28.738 -0.384 0.000 0.920 126 Q HN 0.803 nan 8.270 nan 0.000 0.415 127 H N -1.534 117.473 119.070 -0.105 0.000 2.525 127 H HA 0.205 4.762 4.556 0.001 0.000 0.275 127 H C 1.526 176.992 175.328 0.230 0.000 0.984 127 H CA 0.743 56.838 56.048 0.079 0.000 1.264 127 H CB 0.278 30.063 29.762 0.037 0.000 1.432 127 H HN 0.378 nan 8.280 nan 0.000 0.549 128 A N 0.609 123.386 122.820 -0.072 0.000 1.970 128 A HA -0.126 4.194 4.320 0.001 0.000 0.216 128 A C 2.075 179.535 177.584 -0.206 0.000 1.170 128 A CA 1.136 52.732 52.037 -0.735 0.000 0.645 128 A CB -0.220 18.211 19.000 -0.948 0.000 0.816 128 A HN 0.469 nan 8.150 nan 0.000 0.447 129 E N 0.228 120.357 120.200 -0.119 0.000 2.086 129 E HA -0.203 4.148 4.350 0.001 0.000 0.205 129 E C -0.746 175.804 176.600 -0.084 0.000 1.027 129 E CA 1.899 58.243 56.400 -0.093 0.000 0.830 129 E CB -0.578 29.067 29.700 -0.093 0.000 0.751 129 E HN 0.500 nan 8.360 nan 0.000 0.456 130 P HA -0.098 nan 4.420 nan 0.000 0.234 130 P C 0.337 177.443 177.300 -0.322 0.000 1.167 130 P CA 0.966 63.926 63.100 -0.233 0.000 0.763 130 P CB -0.096 31.410 31.700 -0.323 0.000 0.835 131 F N -0.379 119.501 119.950 -0.117 0.000 2.727 131 F HA 0.365 4.892 4.527 0.001 0.000 0.302 131 F C 1.731 177.469 175.800 -0.104 0.000 1.097 131 F CA 0.575 58.518 58.000 -0.095 0.000 1.330 131 F CB -0.497 38.444 39.000 -0.099 0.000 1.084 131 F HN -0.017 nan 8.300 nan 0.000 0.578 132 G N 1.484 110.295 108.800 0.018 0.000 2.221 132 G HA2 -0.265 3.695 3.960 0.001 0.000 0.265 132 G HA3 -0.265 3.695 3.960 0.001 0.000 0.265 132 G C 0.082 174.976 174.900 -0.009 0.000 1.041 132 G CA -0.287 44.808 45.100 -0.008 0.000 0.807 132 G HN 0.122 nan 8.290 nan 0.000 0.502 133 I N 0.538 121.074 120.570 -0.057 0.000 2.496 133 I HA 0.217 4.387 4.170 0.001 0.000 0.285 133 I C 0.940 177.030 176.117 -0.045 0.000 1.080 133 I CA -0.778 60.482 61.300 -0.067 0.000 1.404 133 I CB 1.090 38.967 38.000 -0.206 0.000 1.403 133 I HN 0.346 nan 8.210 nan 0.000 0.539 134 E N 6.680 126.876 120.200 -0.006 0.000 2.166 134 E HA 0.262 4.612 4.350 0.001 0.000 0.279 134 E C -0.926 175.679 176.600 0.008 0.000 1.095 134 E CA -0.325 56.071 56.400 -0.007 0.000 0.888 134 E CB 0.453 30.148 29.700 -0.008 0.000 1.041 134 E HN 0.418 nan 8.360 nan 0.000 0.414 135 I N 4.200 124.770 120.570 -0.001 0.000 2.339 135 I HA 0.172 4.342 4.170 0.001 0.000 0.290 135 I C -0.256 175.877 176.117 0.027 0.000 0.994 135 I CA -0.393 60.921 61.300 0.024 0.000 1.191 135 I CB 1.910 39.916 38.000 0.011 0.000 1.343 135 I HN 0.342 nan 8.210 nan 0.000 0.458 136 T N 5.725 120.306 114.554 0.045 0.000 2.791 136 T HA 0.344 4.694 4.350 0.001 0.000 0.288 136 T C -0.092 174.634 174.700 0.042 0.000 0.999 136 T CA -0.487 61.631 62.100 0.029 0.000 0.952 136 T CB 1.335 70.207 68.868 0.006 0.000 0.938 136 T HN 0.148 nan 8.240 nan 0.000 0.444 137 V N 5.157 125.092 119.914 0.035 0.000 2.427 137 V HA 0.244 4.364 4.120 0.001 0.000 0.268 137 V C 0.919 177.030 176.094 0.027 0.000 1.046 137 V CA -0.520 61.803 62.300 0.039 0.000 0.970 137 V CB 0.289 32.138 31.823 0.043 0.000 1.001 137 V HN 0.665 nan 8.190 nan 0.000 0.476 138 R N 3.020 123.533 120.500 0.022 0.000 4.518 138 R HA 0.176 4.516 4.340 0.001 0.000 0.243 138 R C 0.362 176.668 176.300 0.011 0.000 1.720 138 R CA -0.241 55.862 56.100 0.006 0.000 1.526 138 R CB -0.234 30.057 30.300 -0.016 0.000 1.425 138 R HN 0.636 nan 8.270 nan 0.000 0.787 139 D N 0.868 121.284 120.400 0.027 0.000 2.384 139 D HA -0.142 4.498 4.640 0.001 0.000 0.222 139 D C 1.130 177.448 176.300 0.031 0.000 0.976 139 D CA 0.965 54.989 54.000 0.041 0.000 0.915 139 D CB 0.224 41.065 40.800 0.067 0.000 0.896 139 D HN 0.467 nan 8.370 nan 0.000 0.523 140 D N -0.128 120.281 120.400 0.015 0.000 2.363 140 D HA -0.099 4.542 4.640 0.001 0.000 0.220 140 D C 0.639 176.939 176.300 0.000 0.000 0.994 140 D CA 0.138 54.143 54.000 0.008 0.000 0.890 140 D CB 0.321 41.119 40.800 -0.003 0.000 0.906 140 D HN 0.209 nan 8.370 nan 0.000 0.530 141 L N 0.618 121.839 121.223 -0.004 0.000 2.334 141 L HA 0.330 4.670 4.340 0.001 0.000 0.276 141 L C 0.202 177.074 176.870 0.003 0.000 1.014 141 L CA -0.691 54.144 54.840 -0.010 0.000 0.815 141 L CB 2.111 44.154 42.059 -0.027 0.000 1.268 141 L HN -0.176 nan 8.230 nan 0.000 0.428 142 S N 2.321 118.028 115.700 0.012 0.000 2.745 142 S HA 0.761 5.232 4.470 0.001 0.000 0.292 142 S C -0.630 174.005 174.600 0.057 0.000 1.133 142 S CA -0.651 57.568 58.200 0.031 0.000 0.998 142 S CB 1.942 65.166 63.200 0.040 0.000 1.087 142 S HN 0.596 nan 8.310 nan 0.000 0.551 143 M N 1.776 121.438 119.600 0.104 0.000 2.365 143 M HA 0.544 5.025 4.480 0.001 0.000 0.287 143 M C -2.368 174.067 176.300 0.226 0.000 1.154 143 M CA -0.311 55.075 55.300 0.142 0.000 0.941 143 M CB 1.176 33.856 32.600 0.133 0.000 1.704 143 M HN 0.597 nan 8.290 nan 0.000 0.479 144 I N 3.460 124.188 120.570 0.264 0.000 2.436 144 I HA 0.622 4.792 4.170 0.001 0.000 0.289 144 I C -0.256 176.064 176.117 0.338 0.000 1.010 144 I CA -0.847 60.679 61.300 0.378 0.000 1.098 144 I CB 2.079 40.351 38.000 0.454 0.000 1.266 144 I HN 0.806 nan 8.210 nan 0.000 0.434 145 A N 6.681 129.734 122.820 0.388 0.000 2.274 145 A HA 0.709 5.029 4.320 0.001 0.000 0.309 145 A C -0.538 177.258 177.584 0.354 0.000 1.226 145 A CA -0.405 51.838 52.037 0.344 0.000 0.853 145 A CB 0.703 19.887 19.000 0.306 0.000 1.146 145 A HN 0.464 nan 8.150 nan 0.000 0.518 146 V N 4.361 124.431 119.914 0.261 0.000 2.378 146 V HA 0.446 4.566 4.120 0.001 0.000 0.288 146 V C -0.532 175.637 176.094 0.125 0.000 1.016 146 V CA -0.512 61.888 62.300 0.168 0.000 0.840 146 V CB 1.042 32.949 31.823 0.139 0.000 0.994 146 V HN 0.924 nan 8.190 nan 0.000 0.431 147 Q N 2.704 122.575 119.800 0.119 0.000 2.359 147 Q HA 0.827 5.168 4.340 0.001 0.000 0.274 147 Q C 0.055 176.069 176.000 0.022 0.000 1.074 147 Q CA -0.272 55.583 55.803 0.087 0.000 0.810 147 Q CB 2.999 31.847 28.738 0.183 0.000 1.342 147 Q HN 1.085 nan 8.270 nan 0.000 0.427 148 G N 1.757 110.541 108.800 -0.027 0.000 2.361 148 G HA2 -0.000 3.960 3.960 0.001 0.000 0.331 148 G HA3 -0.000 3.960 3.960 0.001 0.000 0.331 148 G C -2.604 172.249 174.900 -0.078 0.000 1.324 148 G CA -0.676 44.391 45.100 -0.055 0.000 0.984 148 G HN 0.326 nan 8.290 nan 0.000 0.586 149 P HA 0.033 nan 4.420 nan 0.000 0.229 149 P C 0.714 177.960 177.300 -0.091 0.000 1.160 149 P CA 0.836 63.888 63.100 -0.081 0.000 0.777 149 P CB 0.186 31.844 31.700 -0.070 0.000 0.814 150 N N -0.801 117.841 118.700 -0.096 0.000 2.187 150 N HA 0.165 4.906 4.740 0.001 0.000 0.212 150 N C 1.467 176.907 175.510 -0.118 0.000 1.152 150 N CA 0.126 53.115 53.050 -0.101 0.000 0.872 150 N CB 0.024 38.455 38.487 -0.093 0.000 1.025 150 N HN 0.014 nan 8.380 nan 0.000 0.514 151 A N 1.086 123.831 122.820 -0.125 0.000 1.877 151 A HA -0.174 4.146 4.320 0.001 0.000 0.216 151 A C 2.080 179.567 177.584 -0.161 0.000 1.186 151 A CA 1.235 53.198 52.037 -0.124 0.000 0.620 151 A CB -0.354 18.585 19.000 -0.102 0.000 0.822 151 A HN 0.268 nan 8.150 nan 0.000 0.443 152 Q N -0.599 119.035 119.800 -0.277 0.000 2.061 152 Q HA -0.151 4.189 4.340 0.001 0.000 0.204 152 Q C 2.460 178.385 176.000 -0.125 0.000 0.984 152 Q CA 1.502 57.079 55.803 -0.376 0.000 0.846 152 Q CB -0.437 27.976 28.738 -0.542 0.000 0.902 152 Q HN 0.677 nan 8.270 nan 0.000 0.421 153 A N 1.527 124.274 122.820 -0.122 0.000 1.908 153 A HA -0.231 4.090 4.320 0.001 0.000 0.218 153 A C 1.956 179.456 177.584 -0.139 0.000 1.181 153 A CA 1.654 53.628 52.037 -0.104 0.000 0.627 153 A CB -0.315 18.633 19.000 -0.087 0.000 0.818 153 A HN 0.196 nan 8.150 nan 0.000 0.445 154 K N -0.470 119.845 120.400 -0.141 0.000 2.025 154 K HA 0.023 4.343 4.320 0.001 0.000 0.207 154 K C 2.372 178.845 176.600 -0.213 0.000 1.049 154 K CA 0.980 57.170 56.287 -0.162 0.000 0.933 154 K CB -0.343 32.068 32.500 -0.150 0.000 0.714 154 K HN 0.415 nan 8.250 nan 0.000 0.438 155 A N 1.728 124.437 122.820 -0.184 0.000 1.917 155 A HA -0.185 4.135 4.320 0.001 0.000 0.219 155 A C 2.359 179.515 177.584 -0.714 0.000 1.182 155 A CA 2.055 53.948 52.037 -0.240 0.000 0.633 155 A CB -0.778 18.290 19.000 0.112 0.000 0.819 155 A HN 0.356 nan 8.150 nan 0.000 0.448 156 A N -0.316 122.055 122.820 -0.747 0.000 2.121 156 A HA -0.019 4.301 4.320 0.001 0.000 0.218 156 A C 2.243 179.525 177.584 -0.502 0.000 1.154 156 A CA 2.101 53.510 52.037 -1.047 0.000 0.679 156 A CB -1.335 17.432 19.000 -0.389 0.000 0.795 156 A HN 0.844 nan 8.150 nan 0.000 0.458 157 T N -1.600 112.758 114.554 -0.326 0.000 2.977 157 T HA -0.058 4.293 4.350 0.001 0.000 0.271 157 T C 1.475 176.079 174.700 -0.161 0.000 1.105 157 T CA 1.451 63.438 62.100 -0.188 0.000 1.116 157 T CB -0.501 68.273 68.868 -0.157 0.000 0.878 157 T HN 0.397 nan 8.240 nan 0.000 0.509 158 L N -1.083 120.003 121.223 -0.229 0.000 2.529 158 L HA 0.359 4.699 4.340 0.001 0.000 0.223 158 L C 0.223 177.227 176.870 0.222 0.000 1.113 158 L CA -0.379 54.420 54.840 -0.068 0.000 0.861 158 L CB -0.300 41.611 42.059 -0.247 0.000 1.012 158 L HN 0.151 nan 8.230 nan 0.000 0.461 159 F N 2.034 122.014 119.950 0.050 0.000 2.429 159 F HA 0.134 4.661 4.527 -0.000 0.000 0.348 159 F C 0.998 176.814 175.800 0.025 0.000 1.109 159 F CA -1.852 56.176 58.000 0.048 0.000 1.232 159 F CB -0.224 38.786 39.000 0.017 0.000 1.157 159 F HN 0.124 nan 8.300 nan 0.000 0.564 160 N N 0.836 119.660 118.700 0.207 0.000 2.322 160 N HA 0.033 4.774 4.740 0.001 0.000 0.270 160 N C 0.424 175.990 175.510 0.092 0.000 1.286 160 N CA -0.228 52.889 53.050 0.111 0.000 0.948 160 N CB 0.288 38.814 38.487 0.065 0.000 1.164 160 N HN 0.393 nan 8.380 nan 0.000 0.551 161 D N -0.798 119.634 120.400 0.054 0.000 2.117 161 D HA -0.070 4.571 4.640 0.001 0.000 0.198 161 D C 1.799 178.111 176.300 0.021 0.000 0.982 161 D CA 1.811 55.836 54.000 0.042 0.000 0.828 161 D CB -0.733 40.083 40.800 0.027 0.000 0.967 161 D HN 0.676 nan 8.370 nan 0.000 0.464 162 A N 0.916 123.737 122.820 0.000 0.000 1.908 162 A HA -0.271 4.050 4.320 0.001 0.000 0.218 162 A C 2.167 179.714 177.584 -0.061 0.000 1.181 162 A CA 1.744 53.765 52.037 -0.027 0.000 0.627 162 A CB -0.715 18.264 19.000 -0.035 0.000 0.818 162 A HN 0.217 nan 8.150 nan 0.000 0.445 163 Q N -0.907 118.842 119.800 -0.086 0.000 2.050 163 Q HA -0.151 4.189 4.340 0.001 0.000 0.202 163 Q C 2.409 178.324 176.000 -0.141 0.000 0.980 163 Q CA 1.629 57.297 55.803 -0.225 0.000 0.840 163 Q CB -0.173 28.354 28.738 -0.351 0.000 0.898 163 Q HN 0.621 nan 8.270 nan 0.000 0.424 164 R N 0.293 120.834 120.500 0.067 0.000 2.096 164 R HA -0.221 4.119 4.340 0.001 0.000 0.240 164 R C 2.378 178.714 176.300 0.060 0.000 1.139 164 R CA 1.714 57.907 56.100 0.156 0.000 0.952 164 R CB -0.269 30.125 30.300 0.158 0.000 0.854 164 R HN 0.359 nan 8.270 nan 0.000 0.436 165 Q N 0.189 119.999 119.800 0.017 0.000 2.119 165 Q HA -0.129 4.211 4.340 0.001 0.000 0.201 165 Q C 2.016 178.001 176.000 -0.024 0.000 0.972 165 Q CA 1.494 57.297 55.803 0.000 0.000 0.847 165 Q CB -0.032 28.702 28.738 -0.006 0.000 0.903 165 Q HN 0.383 nan 8.270 nan 0.000 0.433 166 A N 0.503 123.288 122.820 -0.058 0.000 1.940 166 A HA -0.144 4.176 4.320 0.001 0.000 0.219 166 A C 1.916 179.448 177.584 -0.087 0.000 1.176 166 A CA 1.734 53.718 52.037 -0.088 0.000 0.631 166 A CB -0.579 18.336 19.000 -0.142 0.000 0.814 166 A HN 0.428 nan 8.150 nan 0.000 0.446 167 V N -2.520 117.351 119.914 -0.073 0.000 3.596 167 V HA 0.240 4.360 4.120 0.001 0.000 0.289 167 V C 0.266 176.384 176.094 0.040 0.000 1.336 167 V CA -0.174 62.113 62.300 -0.023 0.000 1.137 167 V CB -0.763 31.063 31.823 0.005 0.000 0.966 167 V HN 0.427 nan 8.190 nan 0.000 0.428 168 E N 1.742 121.953 120.200 0.018 0.000 2.351 168 E HA 0.411 4.762 4.350 0.001 0.000 0.266 168 E C 1.289 177.884 176.600 -0.009 0.000 1.031 168 E CA 0.680 57.093 56.400 0.021 0.000 0.911 168 E CB 0.478 30.183 29.700 0.008 0.000 0.986 168 E HN 0.762 nan 8.360 nan 0.000 0.446 169 G N 4.142 112.942 108.800 -0.000 0.000 2.198 169 G HA2 -0.335 3.626 3.960 0.001 0.000 0.260 169 G HA3 -0.335 3.626 3.960 0.001 0.000 0.260 169 G C 0.197 175.055 174.900 -0.071 0.000 1.025 169 G CA 0.429 45.511 45.100 -0.029 0.000 0.769 169 G HN 0.547 nan 8.290 nan 0.000 0.507 170 M N 0.799 120.379 119.600 -0.033 0.000 2.184 170 M HA 0.428 4.908 4.480 0.001 0.000 0.351 170 M C 0.741 177.024 176.300 -0.029 0.000 1.395 170 M CA -0.145 55.101 55.300 -0.090 0.000 1.117 170 M CB 0.230 32.839 32.600 0.016 0.000 1.708 170 M HN 0.174 nan 8.290 nan 0.000 0.468 171 K N 5.315 125.644 120.400 -0.118 0.000 2.138 171 K HA 0.420 4.740 4.320 0.001 0.000 0.251 171 K C -2.478 174.307 176.600 0.308 0.000 1.015 171 K CA -1.533 54.802 56.287 0.080 0.000 0.917 171 K CB -0.095 32.455 32.500 0.084 0.000 1.021 171 K HN 0.430 nan 8.250 nan 0.000 0.485 172 P HA -0.076 nan 4.420 nan 0.000 0.266 172 P C -0.747 176.878 177.300 0.541 0.000 1.193 172 P CA 0.213 63.530 63.100 0.361 0.000 0.770 172 P CB 0.082 31.953 31.700 0.284 0.000 0.836 173 F N -0.774 119.294 119.950 0.197 0.000 2.891 173 F HA -0.199 4.328 4.527 0.000 0.000 0.272 173 F C -0.228 175.576 175.800 0.007 0.000 1.004 173 F CA 1.042 59.102 58.000 0.099 0.000 0.938 173 F CB -1.939 37.056 39.000 -0.007 0.000 0.939 173 F HN 0.145 nan 8.300 nan 0.000 0.833 174 F N -0.496 119.573 119.950 0.198 0.000 2.613 174 F HA 0.802 5.330 4.527 0.002 0.000 0.314 174 F C 0.552 176.452 175.800 0.166 0.000 1.075 174 F CA -0.634 57.476 58.000 0.183 0.000 0.945 174 F CB 2.270 41.348 39.000 0.130 0.000 1.310 174 F HN 0.032 nan 8.300 nan 0.000 0.467 175 G N 0.565 109.576 108.800 0.351 0.000 2.667 175 G HA2 0.609 4.570 3.960 0.001 0.000 0.298 175 G HA3 0.609 4.570 3.960 0.001 0.000 0.298 175 G C -2.408 172.545 174.900 0.089 0.000 1.377 175 G CA -0.920 44.178 45.100 -0.003 0.000 0.964 175 G HN 0.711 nan 8.290 nan 0.000 0.493 176 V N 0.860 120.627 119.914 -0.246 0.000 2.891 176 V HA 0.625 4.745 4.120 0.001 0.000 0.304 176 V C -1.264 174.726 176.094 -0.173 0.000 1.171 176 V CA -0.784 61.469 62.300 -0.078 0.000 0.943 176 V CB 2.167 33.949 31.823 -0.068 0.000 1.037 176 V HN 0.886 nan 8.190 nan 0.000 0.427 177 Q N 4.198 123.951 119.800 -0.079 0.000 2.294 177 Q HA 0.745 5.085 4.340 0.001 0.000 0.257 177 Q C -0.393 175.528 176.000 -0.131 0.000 0.955 177 Q CA 0.577 56.331 55.803 -0.082 0.000 0.936 177 Q CB 1.474 30.141 28.738 -0.119 0.000 1.188 177 Q HN 1.114 nan 8.270 nan 0.000 0.420 178 A N 4.181 126.900 122.820 -0.168 0.000 2.545 178 A HA 0.695 5.016 4.320 0.001 0.000 0.300 178 A C 0.504 177.996 177.584 -0.155 0.000 1.252 178 A CA 0.013 51.943 52.037 -0.178 0.000 0.753 178 A CB 0.121 18.962 19.000 -0.266 0.000 1.144 178 A HN 1.113 nan 8.150 nan 0.000 0.457 179 G N 1.896 110.631 108.800 -0.108 0.000 2.611 179 G HA2 -0.314 3.646 3.960 0.001 0.000 0.301 179 G HA3 -0.314 3.646 3.960 0.001 0.000 0.301 179 G C 0.491 175.338 174.900 -0.088 0.000 1.233 179 G CA 0.688 45.737 45.100 -0.085 0.000 0.993 179 G HN 0.598 nan 8.290 nan 0.000 0.553 180 D N 1.000 121.350 120.400 -0.083 0.000 2.336 180 D HA 0.184 4.824 4.640 0.001 0.000 0.229 180 D C 0.884 177.115 176.300 -0.115 0.000 1.061 180 D CA 0.461 54.411 54.000 -0.083 0.000 0.875 180 D CB -0.061 40.702 40.800 -0.063 0.000 0.904 180 D HN 0.306 nan 8.370 nan 0.000 0.525 181 L N 0.853 121.985 121.223 -0.151 0.000 2.305 181 L HA 0.312 4.652 4.340 0.001 0.000 0.284 181 L C -0.357 176.422 176.870 -0.151 0.000 1.013 181 L CA -1.013 53.706 54.840 -0.201 0.000 0.819 181 L CB 1.432 43.301 42.059 -0.317 0.000 1.227 181 L HN -0.182 nan 8.230 nan 0.000 0.417 182 F N 5.532 125.335 119.950 -0.244 0.000 2.404 182 F HA 0.550 5.078 4.527 0.001 0.000 0.358 182 F C -0.371 175.290 175.800 -0.232 0.000 1.120 182 F CA -0.408 57.449 58.000 -0.238 0.000 1.144 182 F CB 0.498 39.367 39.000 -0.219 0.000 1.133 182 F HN 0.227 nan 8.300 nan 0.000 0.495 183 I N 6.196 126.277 120.570 -0.816 0.000 2.406 183 I HA 0.653 4.823 4.170 0.001 0.000 0.290 183 I C -0.568 175.112 176.117 -0.729 0.000 0.999 183 I CA -0.717 60.169 61.300 -0.690 0.000 1.124 183 I CB 1.617 39.201 38.000 -0.694 0.000 1.289 183 I HN 0.748 nan 8.210 nan 0.000 0.441 184 A N 2.979 125.537 122.820 -0.438 0.000 2.449 184 A HA 0.657 4.977 4.320 0.001 0.000 0.302 184 A C -0.042 177.628 177.584 0.144 0.000 1.048 184 A CA -0.593 51.321 52.037 -0.205 0.000 0.708 184 A CB 1.266 20.113 19.000 -0.255 0.000 1.274 184 A HN 0.704 nan 8.150 nan 0.000 0.410 185 T N 0.252 114.930 114.554 0.208 0.000 3.783 185 T HA 0.481 4.832 4.350 0.001 0.000 0.262 185 T C 0.334 175.063 174.700 0.049 0.000 1.381 185 T CA 0.243 62.473 62.100 0.217 0.000 1.155 185 T CB -1.260 67.758 68.868 0.250 0.000 1.256 185 T HN 0.996 nan 8.240 nan 0.000 0.807 186 T N -1.645 112.899 114.554 -0.016 0.000 2.864 186 T HA 0.926 5.277 4.350 0.001 0.000 0.289 186 T C 0.018 174.693 174.700 -0.040 0.000 1.082 186 T CA -0.626 61.332 62.100 -0.237 0.000 1.009 186 T CB 2.134 70.769 68.868 -0.390 0.000 1.234 186 T HN 0.816 nan 8.240 nan 0.000 0.526 187 G N -0.939 107.845 108.800 -0.027 0.000 2.322 187 G HA2 0.420 4.380 3.960 0.001 0.000 0.295 187 G HA3 0.420 4.380 3.960 0.001 0.000 0.295 187 G C -1.997 172.994 174.900 0.151 0.000 1.369 187 G CA -0.608 44.535 45.100 0.071 0.000 0.821 187 G HN 0.821 nan 8.290 nan 0.000 0.536 188 Y N 0.473 120.739 120.300 -0.057 0.000 2.750 188 Y HA 0.391 4.941 4.550 0.000 0.000 0.247 188 Y C 1.555 177.395 175.900 -0.100 0.000 1.098 188 Y CA 0.494 58.550 58.100 -0.073 0.000 1.120 188 Y CB 0.476 38.878 38.460 -0.096 0.000 1.210 188 Y HN 0.830 nan 8.280 nan 0.000 0.601 189 T N -4.938 109.594 114.554 -0.036 0.000 2.969 189 T HA 0.364 4.714 4.350 0.001 0.000 0.258 189 T C 1.537 176.187 174.700 -0.083 0.000 0.962 189 T CA 0.456 62.488 62.100 -0.114 0.000 0.903 189 T CB 0.325 69.149 68.868 -0.074 0.000 1.177 189 T HN 0.598 nan 8.240 nan 0.000 0.511 190 G N 1.396 110.174 108.800 -0.037 0.000 2.159 190 G HA2 -0.176 3.785 3.960 0.001 0.000 0.256 190 G HA3 -0.176 3.785 3.960 0.001 0.000 0.256 190 G C -0.225 174.661 174.900 -0.023 0.000 0.977 190 G CA 0.230 45.313 45.100 -0.028 0.000 0.652 190 G HN 0.631 nan 8.290 nan 0.000 0.531 191 E N -0.298 119.892 120.200 -0.017 0.000 2.316 191 E HA 0.751 5.102 4.350 0.001 0.000 0.258 191 E C 0.727 177.322 176.600 -0.009 0.000 0.952 191 E CA -0.120 56.267 56.400 -0.022 0.000 0.818 191 E CB 1.423 31.103 29.700 -0.033 0.000 1.260 191 E HN 0.693 nan 8.360 nan 0.000 0.416 192 A N -0.044 122.758 122.820 -0.029 0.000 2.366 192 A HA 0.613 4.933 4.320 0.001 0.000 0.250 192 A C 0.622 178.156 177.584 -0.084 0.000 1.099 192 A CA 0.907 52.913 52.037 -0.051 0.000 0.794 192 A CB 0.038 18.991 19.000 -0.079 0.000 1.056 192 A HN 0.676 nan 8.150 nan 0.000 0.499 193 G N -1.620 107.083 108.800 -0.162 0.000 2.332 193 G HA2 0.425 4.385 3.960 0.001 0.000 0.265 193 G HA3 0.425 4.385 3.960 0.001 0.000 0.265 193 G C -1.699 173.057 174.900 -0.241 0.000 1.329 193 G CA -0.551 44.410 45.100 -0.231 0.000 0.949 193 G HN 0.980 nan 8.290 nan 0.000 0.476 194 Y N 0.384 120.734 120.300 0.083 0.000 2.524 194 Y HA 0.646 5.196 4.550 0.000 0.000 0.347 194 Y C -0.029 175.931 175.900 0.099 0.000 1.005 194 Y CA -1.062 57.090 58.100 0.086 0.000 1.025 194 Y CB 2.177 40.715 38.460 0.131 0.000 1.275 194 Y HN 0.557 nan 8.280 nan 0.000 0.460 195 E N 2.797 123.145 120.200 0.248 0.000 2.166 195 E HA 0.617 4.967 4.350 0.001 0.000 0.275 195 E C -1.183 175.490 176.600 0.123 0.000 0.941 195 E CA -0.491 56.027 56.400 0.197 0.000 0.784 195 E CB 1.907 31.715 29.700 0.180 0.000 1.115 195 E HN 0.429 nan 8.360 nan 0.000 0.399 196 I N 2.474 123.130 120.570 0.144 0.000 2.410 196 I HA 0.429 4.599 4.170 0.001 0.000 0.286 196 I C -0.507 175.647 176.117 0.062 0.000 1.009 196 I CA -0.635 60.695 61.300 0.050 0.000 1.111 196 I CB 1.670 39.711 38.000 0.067 0.000 1.262 196 I HN 0.478 nan 8.210 nan 0.000 0.443 197 A N 8.065 130.943 122.820 0.096 0.000 2.337 197 A HA 0.991 5.311 4.320 0.001 0.000 0.329 197 A C -0.754 176.821 177.584 -0.016 0.000 1.146 197 A CA -0.491 51.593 52.037 0.078 0.000 0.800 197 A CB 1.408 20.486 19.000 0.131 0.000 1.220 197 A HN 0.785 nan 8.150 nan 0.000 0.472 198 L N -0.522 120.668 121.223 -0.056 0.000 2.622 198 L HA 0.763 5.103 4.340 0.001 0.000 0.258 198 L C -3.174 173.665 176.870 -0.052 0.000 0.996 198 L CA -2.419 52.362 54.840 -0.099 0.000 0.858 198 L CB 1.928 43.853 42.059 -0.223 0.000 1.449 198 L HN 0.324 nan 8.230 nan 0.000 0.411 199 P HA 0.142 nan 4.420 nan 0.000 0.268 199 P C -0.141 177.158 177.300 -0.002 0.000 1.208 199 P CA -0.075 63.013 63.100 -0.020 0.000 0.777 199 P CB 0.461 32.151 31.700 -0.017 0.000 0.875 200 N N 2.072 120.777 118.700 0.008 0.000 2.149 200 N HA -0.178 4.563 4.740 0.001 0.000 0.188 200 N C 1.351 176.877 175.510 0.026 0.000 1.019 200 N CA 1.255 54.317 53.050 0.020 0.000 0.857 200 N CB -0.384 38.118 38.487 0.025 0.000 0.997 200 N HN 0.608 nan 8.380 nan 0.000 0.426 201 E N 0.907 121.121 120.200 0.023 0.000 2.478 201 E HA -0.103 4.248 4.350 0.001 0.000 0.198 201 E C 0.625 177.249 176.600 0.041 0.000 1.046 201 E CA 0.825 57.243 56.400 0.029 0.000 0.870 201 E CB -0.091 29.622 29.700 0.022 0.000 0.818 201 E HN 0.349 nan 8.360 nan 0.000 0.527 202 K N 0.013 120.439 120.400 0.043 0.000 2.358 202 K HA 0.308 4.629 4.320 0.001 0.000 0.200 202 K C 1.776 178.446 176.600 0.116 0.000 1.030 202 K CA 0.445 56.775 56.287 0.071 0.000 1.097 202 K CB 0.736 33.265 32.500 0.047 0.000 0.862 202 K HN 0.101 nan 8.250 nan 0.000 0.534 203 A N 1.785 124.662 122.820 0.094 0.000 1.897 203 A HA -0.010 4.310 4.320 0.001 0.000 0.215 203 A C 2.400 180.101 177.584 0.195 0.000 1.181 203 A CA 1.583 53.704 52.037 0.140 0.000 0.620 203 A CB -0.472 18.579 19.000 0.085 0.000 0.821 203 A HN 0.250 nan 8.150 nan 0.000 0.443 204 A N 0.266 123.152 122.820 0.110 0.000 1.892 204 A HA -0.278 4.042 4.320 0.001 0.000 0.218 204 A C 1.791 179.480 177.584 0.176 0.000 1.188 204 A CA 2.322 54.418 52.037 0.097 0.000 0.631 204 A CB -0.869 18.152 19.000 0.037 0.000 0.822 204 A HN 0.453 nan 8.150 nan 0.000 0.447 205 D N -1.796 118.703 120.400 0.164 0.000 2.144 205 D HA -0.106 4.534 4.640 0.001 0.000 0.199 205 D C 1.540 177.959 176.300 0.198 0.000 0.984 205 D CA 1.126 55.220 54.000 0.157 0.000 0.834 205 D CB -0.251 40.635 40.800 0.142 0.000 0.955 205 D HN 0.467 nan 8.370 nan 0.000 0.465 206 F N -0.370 119.652 119.950 0.121 0.000 2.234 206 F HA -0.040 4.487 4.527 0.000 0.000 0.296 206 F C 2.078 177.969 175.800 0.152 0.000 1.089 206 F CA 0.827 58.900 58.000 0.121 0.000 1.343 206 F CB -0.082 38.995 39.000 0.129 0.000 1.040 206 F HN 0.093 nan 8.300 nan 0.000 0.498 207 W N 2.031 123.428 121.300 0.161 0.000 2.335 207 W HA -0.242 4.418 4.660 0.001 0.000 0.311 207 W C 2.492 178.987 176.519 -0.041 0.000 1.213 207 W CA 2.138 59.517 57.345 0.055 0.000 1.274 207 W CB -0.642 28.835 29.460 0.029 0.000 1.148 207 W HN 0.048 nan 8.180 nan 0.000 0.498 208 R N 0.940 121.568 120.500 0.213 0.000 2.083 208 R HA -0.183 4.157 4.340 0.001 0.000 0.237 208 R C 2.310 178.566 176.300 -0.075 0.000 1.137 208 R CA 2.222 58.367 56.100 0.074 0.000 0.951 208 R CB -0.953 29.399 30.300 0.088 0.000 0.851 208 R HN 0.098 nan 8.270 nan 0.000 0.434 209 A N 1.373 124.123 122.820 -0.117 0.000 1.940 209 A HA -0.143 4.177 4.320 0.001 0.000 0.219 209 A C 2.335 179.743 177.584 -0.293 0.000 1.176 209 A CA 1.394 53.304 52.037 -0.213 0.000 0.631 209 A CB -0.540 18.285 19.000 -0.291 0.000 0.814 209 A HN 0.378 nan 8.150 nan 0.000 0.446 210 L N -0.735 120.265 121.223 -0.371 0.000 2.046 210 L HA -0.157 4.183 4.340 0.001 0.000 0.208 210 L C 2.526 179.183 176.870 -0.355 0.000 1.077 210 L CA 1.025 55.634 54.840 -0.384 0.000 0.747 210 L CB -0.544 41.271 42.059 -0.407 0.000 0.896 210 L HN 0.242 nan 8.230 nan 0.000 0.432 211 V N -0.089 119.598 119.914 -0.378 0.000 2.332 211 V HA -0.299 3.821 4.120 0.001 0.000 0.248 211 V C 2.261 178.231 176.094 -0.205 0.000 1.055 211 V CA 1.918 64.031 62.300 -0.312 0.000 1.038 211 V CB -0.496 31.186 31.823 -0.235 0.000 0.651 211 V HN 0.481 nan 8.190 nan 0.000 0.450 212 E N -0.013 120.083 120.200 -0.173 0.000 2.347 212 E HA -0.022 4.329 4.350 0.001 0.000 0.196 212 E C 1.959 178.476 176.600 -0.138 0.000 1.008 212 E CA 0.859 57.181 56.400 -0.130 0.000 0.852 212 E CB -0.177 29.462 29.700 -0.102 0.000 0.783 212 E HN 0.602 nan 8.360 nan 0.000 0.505 213 A N 0.315 123.030 122.820 -0.176 0.000 2.251 213 A HA 0.305 4.625 4.320 0.001 0.000 0.209 213 A C 1.511 179.002 177.584 -0.155 0.000 1.187 213 A CA 0.627 52.564 52.037 -0.167 0.000 0.823 213 A CB -0.147 18.732 19.000 -0.202 0.000 0.846 213 A HN 0.274 nan 8.150 nan 0.000 0.486 214 G N -1.222 107.482 108.800 -0.159 0.000 2.142 214 G HA2 -0.155 3.805 3.960 0.001 0.000 0.225 214 G HA3 -0.155 3.805 3.960 0.001 0.000 0.225 214 G C -0.033 174.765 174.900 -0.171 0.000 1.015 214 G CA 0.013 45.026 45.100 -0.145 0.000 0.716 214 G HN 0.766 nan 8.290 nan 0.000 0.508 215 V N 0.867 120.647 119.914 -0.224 0.000 2.432 215 V HA 0.399 4.520 4.120 0.001 0.000 0.275 215 V C 0.910 176.816 176.094 -0.314 0.000 1.043 215 V CA -0.541 61.603 62.300 -0.261 0.000 0.925 215 V CB 1.654 33.300 31.823 -0.295 0.000 0.985 215 V HN 0.388 nan 8.190 nan 0.000 0.466 216 K N 6.416 126.649 120.400 -0.278 0.000 2.297 216 K HA 0.294 4.615 4.320 0.001 0.000 0.286 216 K C -2.511 173.826 176.600 -0.440 0.000 1.053 216 K CA -1.741 54.366 56.287 -0.299 0.000 0.940 216 K CB 0.943 33.321 32.500 -0.202 0.000 1.019 216 K HN 0.358 nan 8.250 nan 0.000 0.475 217 P HA -0.045 nan 4.420 nan 0.000 0.262 217 P C -1.048 175.868 177.300 -0.640 0.000 1.199 217 P CA -0.136 62.508 63.100 -0.759 0.000 0.763 217 P CB 0.397 31.366 31.700 -1.218 0.000 0.790 218 C N 3.737 122.759 119.300 -0.464 0.000 2.563 218 C HA 0.790 5.250 4.460 0.001 0.000 0.314 218 C C 1.016 176.023 174.990 0.028 0.000 1.199 218 C CA -0.309 58.524 59.018 -0.308 0.000 1.564 218 C CB 1.668 28.896 27.740 -0.852 0.000 2.173 218 C HN 0.650 nan 8.230 nan 0.000 0.485 219 G N 0.729 109.703 108.800 0.289 0.000 2.642 219 G HA2 0.531 4.491 3.960 0.001 0.000 0.291 219 G HA3 0.531 4.491 3.960 0.001 0.000 0.291 219 G C 0.699 175.783 174.900 0.308 0.000 1.345 219 G CA -0.647 44.612 45.100 0.264 0.000 1.043 219 G HN 0.748 nan 8.290 nan 0.000 0.528 220 L N 0.257 121.543 121.223 0.106 0.000 2.127 220 L HA -0.066 4.275 4.340 0.001 0.000 0.211 220 L C 3.046 179.962 176.870 0.077 0.000 1.089 220 L CA 1.351 56.202 54.840 0.018 0.000 0.757 220 L CB -0.586 41.330 42.059 -0.237 0.000 0.899 220 L HN 0.678 nan 8.230 nan 0.000 0.434 221 G N -0.219 108.647 108.800 0.111 0.000 2.433 221 G HA2 -0.257 3.703 3.960 0.001 0.000 0.216 221 G HA3 -0.257 3.703 3.960 0.001 0.000 0.216 221 G C 1.798 176.805 174.900 0.178 0.000 1.186 221 G CA 0.833 46.009 45.100 0.126 0.000 0.779 221 G HN 0.459 nan 8.290 nan 0.000 0.543 222 A N 0.714 123.688 122.820 0.256 0.000 1.908 222 A HA -0.100 4.221 4.320 0.001 0.000 0.218 222 A C 2.327 180.100 177.584 0.314 0.000 1.181 222 A CA 2.068 54.308 52.037 0.337 0.000 0.627 222 A CB -0.522 18.709 19.000 0.386 0.000 0.818 222 A HN 0.399 nan 8.150 nan 0.000 0.445 223 R N -0.455 120.243 120.500 0.330 0.000 2.091 223 R HA -0.220 4.121 4.340 0.001 0.000 0.238 223 R C 1.860 178.149 176.300 -0.019 0.000 1.136 223 R CA 2.076 58.190 56.100 0.023 0.000 0.959 223 R CB -0.405 29.890 30.300 -0.008 0.000 0.856 223 R HN 0.539 nan 8.270 nan 0.000 0.437 224 D N -0.815 119.619 120.400 0.056 0.000 2.097 224 D HA -0.128 4.512 4.640 0.001 0.000 0.197 224 D C 1.829 178.146 176.300 0.028 0.000 0.984 224 D CA 2.185 56.205 54.000 0.034 0.000 0.826 224 D CB -0.061 40.780 40.800 0.068 0.000 0.973 224 D HN 0.418 nan 8.370 nan 0.000 0.460 225 T N -1.287 113.334 114.554 0.111 0.000 2.788 225 T HA -0.130 4.221 4.350 0.001 0.000 0.268 225 T C 2.302 177.118 174.700 0.194 0.000 1.044 225 T CA 0.952 63.146 62.100 0.157 0.000 1.139 225 T CB -0.705 68.301 68.868 0.230 0.000 0.867 225 T HN 0.137 nan 8.240 nan 0.000 0.454 226 L N 1.465 122.752 121.223 0.108 0.000 1.994 226 L HA -0.076 4.264 4.340 0.001 0.000 0.208 226 L C 3.094 179.878 176.870 -0.142 0.000 1.071 226 L CA 1.909 56.684 54.840 -0.109 0.000 0.745 226 L CB -0.510 41.424 42.059 -0.209 0.000 0.892 226 L HN 0.339 nan 8.230 nan 0.000 0.431 227 R N 0.204 120.542 120.500 -0.270 0.000 2.115 227 R HA -0.155 4.185 4.340 0.001 0.000 0.230 227 R C 1.969 178.127 176.300 -0.237 0.000 1.111 227 R CA 1.405 57.217 56.100 -0.480 0.000 0.976 227 R CB -1.143 28.422 30.300 -1.226 0.000 0.870 227 R HN 0.203 nan 8.270 nan 0.000 0.445 228 L N 1.125 122.283 121.223 -0.109 0.000 2.072 228 L HA 0.059 4.400 4.340 0.001 0.000 0.205 228 L C 1.835 178.770 176.870 0.109 0.000 1.079 228 L CA 1.730 56.569 54.840 -0.001 0.000 0.752 228 L CB -0.616 41.433 42.059 -0.016 0.000 0.906 228 L HN 0.314 nan 8.230 nan 0.000 0.436 229 E N -0.163 120.084 120.200 0.078 0.000 2.097 229 E HA -0.262 4.088 4.350 0.001 0.000 0.196 229 E C 1.961 178.690 176.600 0.215 0.000 1.000 229 E CA 1.364 57.877 56.400 0.188 0.000 0.804 229 E CB -0.309 29.469 29.700 0.129 0.000 0.740 229 E HN 0.630 nan 8.360 nan 0.000 0.454 230 A N 0.180 123.039 122.820 0.064 0.000 2.209 230 A HA 0.141 4.462 4.320 0.001 0.000 0.212 230 A C 1.716 179.301 177.584 0.002 0.000 1.158 230 A CA 0.946 52.985 52.037 0.004 0.000 0.742 230 A CB -0.392 18.571 19.000 -0.060 0.000 0.790 230 A HN 0.363 nan 8.150 nan 0.000 0.472 231 G N -1.258 107.584 108.800 0.071 0.000 2.176 231 G HA2 -0.260 3.701 3.960 0.001 0.000 0.252 231 G HA3 -0.260 3.701 3.960 0.001 0.000 0.252 231 G C 0.044 174.971 174.900 0.046 0.000 1.024 231 G CA 0.506 45.644 45.100 0.064 0.000 0.755 231 G HN 0.455 nan 8.290 nan 0.000 0.507 232 M N 0.287 119.891 119.600 0.007 0.000 2.277 232 M HA 0.357 4.837 4.480 0.001 0.000 0.350 232 M C 0.282 176.648 176.300 0.110 0.000 1.180 232 M CA -0.860 54.464 55.300 0.039 0.000 1.103 232 M CB 0.791 33.363 32.600 -0.047 0.000 1.577 232 M HN 0.050 nan 8.290 nan 0.000 0.459 233 N N 2.025 120.868 118.700 0.237 0.000 2.525 233 N HA 0.372 5.112 4.740 0.001 0.000 0.271 233 N C -1.236 174.478 175.510 0.339 0.000 1.194 233 N CA -0.397 52.808 53.050 0.258 0.000 0.964 233 N CB 0.833 39.486 38.487 0.278 0.000 1.126 233 N HN 0.419 nan 8.380 nan 0.000 0.452 234 L N 2.960 124.344 121.223 0.267 0.000 2.298 234 L HA 0.333 4.673 4.340 0.001 0.000 0.284 234 L C -0.979 176.026 176.870 0.225 0.000 1.013 234 L CA -0.867 54.159 54.840 0.310 0.000 0.824 234 L CB 0.286 42.513 42.059 0.280 0.000 1.221 234 L HN 0.432 nan 8.230 nan 0.000 0.418 235 Y N 5.693 126.081 120.300 0.147 0.000 2.717 235 Y HA 0.370 4.920 4.550 0.000 0.000 0.330 235 Y C 1.415 177.362 175.900 0.077 0.000 1.217 235 Y CA 1.614 59.763 58.100 0.080 0.000 1.506 235 Y CB 0.716 39.191 38.460 0.025 0.000 1.268 235 Y HN 0.940 nan 8.280 nan 0.000 0.561 236 G N 3.568 111.954 108.800 -0.691 0.000 2.234 236 G HA2 -0.270 3.690 3.960 0.001 0.000 0.235 236 G HA3 -0.270 3.690 3.960 0.001 0.000 0.235 236 G C 0.743 175.558 174.900 -0.142 0.000 0.997 236 G CA 0.606 45.506 45.100 -0.334 0.000 0.623 236 G HN 0.610 nan 8.290 nan 0.000 0.514 237 Q N -0.812 118.940 119.800 -0.080 0.000 2.627 237 Q HA 0.253 4.594 4.340 0.001 0.000 0.201 237 Q C 2.125 178.116 176.000 -0.015 0.000 0.912 237 Q CA 0.660 56.459 55.803 -0.007 0.000 0.877 237 Q CB 0.083 28.859 28.738 0.063 0.000 1.125 237 Q HN 0.293 nan 8.270 nan 0.000 0.637 238 E N 0.402 120.609 120.200 0.011 0.000 2.150 238 E HA -0.072 4.279 4.350 0.001 0.000 0.193 238 E C 0.614 177.199 176.600 -0.026 0.000 0.985 238 E CA 0.996 57.411 56.400 0.026 0.000 0.814 238 E CB 0.265 30.016 29.700 0.084 0.000 0.752 238 E HN 0.250 nan 8.360 nan 0.000 0.466 239 M N -0.598 118.927 119.600 -0.125 0.000 2.644 239 M HA 0.541 5.021 4.480 0.001 0.000 0.273 239 M C -1.718 174.304 176.300 -0.463 0.000 1.253 239 M CA -0.881 54.305 55.300 -0.190 0.000 0.852 239 M CB 2.105 34.654 32.600 -0.086 0.000 1.708 239 M HN -0.075 nan 8.290 nan 0.000 0.471 240 D N -0.621 119.575 120.400 -0.339 0.000 2.946 240 D HA 0.270 4.911 4.640 0.001 0.000 0.337 240 D C -0.137 176.116 176.300 -0.078 0.000 1.332 240 D CA -0.408 53.358 54.000 -0.389 0.000 0.935 240 D CB 0.478 41.088 40.800 -0.318 0.000 1.440 240 D HN 0.677 nan 8.370 nan 0.000 0.540 241 E N -0.964 119.239 120.200 0.006 0.000 2.401 241 E HA -0.086 4.264 4.350 0.001 0.000 0.199 241 E C 1.002 177.587 176.600 -0.024 0.000 1.023 241 E CA 1.678 58.074 56.400 -0.008 0.000 0.859 241 E CB -0.204 29.484 29.700 -0.020 0.000 0.780 241 E HN 0.612 nan 8.360 nan 0.000 0.523 242 T N -1.757 112.782 114.554 -0.026 0.000 3.060 242 T HA 0.142 4.492 4.350 0.001 0.000 0.249 242 T C 0.662 175.355 174.700 -0.013 0.000 1.079 242 T CA -0.237 61.855 62.100 -0.014 0.000 1.013 242 T CB 0.268 69.130 68.868 -0.011 0.000 0.975 242 T HN -0.164 nan 8.240 nan 0.000 0.518 243 I N 2.280 122.836 120.570 -0.024 0.000 2.404 243 I HA 0.445 4.615 4.170 0.001 0.000 0.293 243 I C 0.405 176.516 176.117 -0.009 0.000 0.992 243 I CA -1.221 60.069 61.300 -0.016 0.000 1.149 243 I CB 1.413 39.393 38.000 -0.034 0.000 1.315 243 I HN 0.163 nan 8.210 nan 0.000 0.446 244 S N 8.270 123.975 115.700 0.008 0.000 2.564 244 S HA 0.266 4.736 4.470 0.001 0.000 0.278 244 S C -1.175 173.428 174.600 0.004 0.000 1.333 244 S CA -0.967 57.241 58.200 0.013 0.000 1.048 244 S CB 0.825 64.048 63.200 0.039 0.000 0.900 244 S HN 0.460 nan 8.310 nan 0.000 0.505 245 P HA -0.160 nan 4.420 nan 0.000 0.217 245 P C 1.410 178.710 177.300 0.000 0.000 1.148 245 P CA 1.375 64.451 63.100 -0.041 0.000 0.834 245 P CB -0.108 31.521 31.700 -0.119 0.000 0.783 246 L N -0.807 120.438 121.223 0.037 0.000 2.141 246 L HA -0.048 4.292 4.340 0.001 0.000 0.209 246 L C 2.396 179.307 176.870 0.068 0.000 1.094 246 L CA 1.305 56.190 54.840 0.075 0.000 0.763 246 L CB -1.159 40.968 42.059 0.114 0.000 0.908 246 L HN -0.083 nan 8.230 nan 0.000 0.437 247 A N -0.176 122.676 122.820 0.054 0.000 2.261 247 A HA 0.389 4.710 4.320 0.001 0.000 0.208 247 A C 1.515 179.130 177.584 0.051 0.000 1.223 247 A CA 0.899 52.966 52.037 0.051 0.000 0.833 247 A CB -0.436 18.589 19.000 0.042 0.000 0.830 247 A HN 0.351 nan 8.150 nan 0.000 0.483 248 A N -0.673 122.182 122.820 0.059 0.000 2.592 248 A HA 0.454 4.774 4.320 0.001 0.000 0.290 248 A C 0.542 178.194 177.584 0.113 0.000 0.998 248 A CA 0.273 52.353 52.037 0.072 0.000 0.983 248 A CB -0.352 18.679 19.000 0.051 0.000 1.240 248 A HN 0.592 nan 8.150 nan 0.000 0.535 249 N N -0.936 117.840 118.700 0.126 0.000 2.747 249 N HA -0.186 4.554 4.740 0.001 0.000 0.249 249 N C 0.289 175.975 175.510 0.294 0.000 1.107 249 N CA 1.735 54.904 53.050 0.200 0.000 0.707 249 N CB -1.664 36.938 38.487 0.192 0.000 1.054 249 N HN 0.593 nan 8.380 nan 0.000 0.555 250 M N -1.943 117.728 119.600 0.119 0.000 2.347 250 M HA 0.284 4.764 4.480 0.001 0.000 0.302 250 M C 1.907 178.065 176.300 -0.237 0.000 1.051 250 M CA 0.380 55.609 55.300 -0.120 0.000 0.988 250 M CB 0.469 32.974 32.600 -0.158 0.000 1.475 250 M HN 0.268 nan 8.290 nan 0.000 0.530 251 G N 1.671 110.475 108.800 0.006 0.000 2.469 251 G HA2 -0.235 3.726 3.960 0.001 0.000 0.220 251 G HA3 -0.235 3.726 3.960 0.001 0.000 0.220 251 G C 1.194 176.114 174.900 0.033 0.000 1.136 251 G CA 0.932 46.071 45.100 0.064 0.000 0.759 251 G HN 0.794 nan 8.290 nan 0.000 0.562 252 W N 1.954 123.268 121.300 0.024 0.000 2.468 252 W HA -0.029 4.631 4.660 0.001 0.000 0.262 252 W C 1.518 178.008 176.519 -0.049 0.000 1.241 252 W CA 1.590 58.939 57.345 0.005 0.000 1.232 252 W CB -1.283 28.179 29.460 0.005 0.000 1.124 252 W HN 0.313 nan 8.180 nan 0.000 0.597 253 T N -1.483 112.565 114.554 -0.844 0.000 3.081 253 T HA 0.157 4.508 4.350 0.001 0.000 0.250 253 T C 0.830 175.161 174.700 -0.616 0.000 1.100 253 T CA -0.099 61.458 62.100 -0.905 0.000 1.038 253 T CB -0.353 67.816 68.868 -1.164 0.000 0.962 253 T HN -0.132 nan 8.240 nan 0.000 0.516 254 I N 2.880 123.130 120.570 -0.533 0.000 2.363 254 I HA 0.423 4.593 4.170 0.001 0.000 0.292 254 I C 0.575 176.318 176.117 -0.624 0.000 1.075 254 I CA -1.149 59.726 61.300 -0.708 0.000 1.333 254 I CB -0.220 37.277 38.000 -0.838 0.000 1.415 254 I HN 0.257 nan 8.210 nan 0.000 0.502 255 A N 6.961 129.439 122.820 -0.571 0.000 2.798 255 A HA 0.247 4.568 4.320 0.001 0.000 0.316 255 A C 0.660 178.155 177.584 -0.148 0.000 1.506 255 A CA -0.604 51.258 52.037 -0.291 0.000 1.162 255 A CB -0.332 18.521 19.000 -0.246 0.000 1.138 255 A HN 0.816 nan 8.150 nan 0.000 0.532 256 W N 0.947 122.268 121.300 0.036 0.000 2.388 256 W HA -0.038 4.622 4.660 0.000 0.000 0.294 256 W C 0.654 177.214 176.519 0.069 0.000 1.212 256 W CA 0.521 57.920 57.345 0.090 0.000 1.271 256 W CB 0.299 29.793 29.460 0.056 0.000 1.126 256 W HN 0.437 nan 8.180 nan 0.000 0.535 257 E N 1.220 121.569 120.200 0.248 0.000 2.197 257 E HA 0.202 4.552 4.350 0.001 0.000 0.281 257 E C -2.018 174.633 176.600 0.085 0.000 0.995 257 E CA -2.269 54.219 56.400 0.147 0.000 0.808 257 E CB 0.334 30.101 29.700 0.113 0.000 1.093 257 E HN -0.110 nan 8.360 nan 0.000 0.394 258 P HA 0.158 nan 4.420 nan 0.000 0.279 258 P C 0.120 177.485 177.300 0.109 0.000 1.239 258 P CA -0.226 62.921 63.100 0.078 0.000 0.789 258 P CB 1.159 32.891 31.700 0.054 0.000 0.933 259 A N 2.861 125.743 122.820 0.102 0.000 2.067 259 A HA -0.163 4.157 4.320 0.001 0.000 0.219 259 A C 1.392 179.027 177.584 0.085 0.000 1.158 259 A CA 1.571 53.674 52.037 0.110 0.000 0.661 259 A CB -0.913 18.132 19.000 0.075 0.000 0.801 259 A HN 0.639 nan 8.150 nan 0.000 0.452 260 D N -0.957 119.484 120.400 0.069 0.000 2.328 260 D HA -0.039 4.602 4.640 0.001 0.000 0.226 260 D C 0.772 177.113 176.300 0.069 0.000 1.066 260 D CA -0.103 53.931 54.000 0.056 0.000 0.861 260 D CB -0.433 40.393 40.800 0.042 0.000 0.912 260 D HN 0.365 nan 8.370 nan 0.000 0.521 261 R N 1.039 121.596 120.500 0.095 0.000 2.205 261 R HA 0.158 4.498 4.340 0.001 0.000 0.342 261 R C -0.926 175.460 176.300 0.143 0.000 1.058 261 R CA -0.586 55.589 56.100 0.124 0.000 0.904 261 R CB 0.244 30.626 30.300 0.135 0.000 1.089 261 R HN -0.111 nan 8.270 nan 0.000 0.471 262 D N 4.269 124.740 120.400 0.119 0.000 2.302 262 D HA 0.174 4.814 4.640 0.001 0.000 0.248 262 D C -0.927 175.497 176.300 0.208 0.000 1.094 262 D CA 0.094 54.136 54.000 0.070 0.000 0.897 262 D CB 0.469 41.334 40.800 0.107 0.000 1.200 262 D HN 0.339 nan 8.370 nan 0.000 0.429 263 F N 0.939 120.902 119.950 0.021 0.000 2.626 263 F HA 0.532 5.059 4.527 0.001 0.000 0.311 263 F C -0.593 175.063 175.800 -0.240 0.000 1.088 263 F CA -1.450 56.456 58.000 -0.157 0.000 0.949 263 F CB 0.394 39.257 39.000 -0.228 0.000 1.322 263 F HN 0.110 nan 8.300 nan 0.000 0.461 264 I N 2.223 122.651 120.570 -0.237 0.000 2.683 264 I HA 0.327 4.497 4.170 0.001 0.000 0.286 264 I C 1.253 177.362 176.117 -0.013 0.000 1.175 264 I CA 1.305 62.486 61.300 -0.199 0.000 1.429 264 I CB 0.300 38.152 38.000 -0.247 0.000 1.371 264 I HN 1.118 nan 8.210 nan 0.000 0.569 265 G N 4.874 113.637 108.800 -0.062 0.000 2.217 265 G HA2 -0.320 3.640 3.960 0.001 0.000 0.246 265 G HA3 -0.320 3.640 3.960 0.001 0.000 0.246 265 G C 1.314 176.112 174.900 -0.170 0.000 0.990 265 G CA 0.491 45.563 45.100 -0.046 0.000 0.627 265 G HN 0.683 nan 8.290 nan 0.000 0.522 266 R N 0.847 121.010 120.500 -0.562 0.000 2.080 266 R HA -0.101 4.239 4.340 0.001 0.000 0.236 266 R C 2.288 178.432 176.300 -0.260 0.000 1.137 266 R CA 2.197 57.803 56.100 -0.822 0.000 0.943 266 R CB -0.428 28.987 30.300 -1.475 0.000 0.846 266 R HN 0.616 nan 8.270 nan 0.000 0.431 267 E N -0.370 119.718 120.200 -0.187 0.000 2.077 267 E HA -0.207 4.143 4.350 0.001 0.000 0.193 267 E C 1.759 178.346 176.600 -0.021 0.000 0.989 267 E CA 1.276 57.636 56.400 -0.068 0.000 0.800 267 E CB -0.128 29.544 29.700 -0.048 0.000 0.746 267 E HN 0.495 nan 8.360 nan 0.000 0.452 268 A N 0.756 123.568 122.820 -0.014 0.000 1.933 268 A HA -0.146 4.175 4.320 0.001 0.000 0.218 268 A C 2.081 179.691 177.584 0.043 0.000 1.175 268 A CA 1.011 53.059 52.037 0.018 0.000 0.628 268 A CB -0.490 18.523 19.000 0.022 0.000 0.814 268 A HN 0.349 nan 8.150 nan 0.000 0.444 269 L N -0.265 120.998 121.223 0.066 0.000 2.109 269 L HA -0.076 4.264 4.340 0.001 0.000 0.207 269 L C 2.309 179.322 176.870 0.239 0.000 1.086 269 L CA 2.399 57.340 54.840 0.168 0.000 0.760 269 L CB -0.618 41.560 42.059 0.198 0.000 0.910 269 L HN 0.541 nan 8.230 nan 0.000 0.437 270 E N -0.835 119.483 120.200 0.198 0.000 2.051 270 E HA -0.173 4.177 4.350 0.001 0.000 0.192 270 E C 2.124 178.684 176.600 -0.067 0.000 0.991 270 E CA 1.807 58.244 56.400 0.062 0.000 0.799 270 E CB -0.366 29.357 29.700 0.038 0.000 0.748 270 E HN 0.255 nan 8.360 nan 0.000 0.449 271 V N 0.620 120.496 119.914 -0.063 0.000 2.282 271 V HA -0.331 3.789 4.120 0.001 0.000 0.249 271 V C 2.523 178.482 176.094 -0.226 0.000 1.057 271 V CA 2.405 64.611 62.300 -0.156 0.000 1.032 271 V CB -0.710 31.080 31.823 -0.054 0.000 0.645 271 V HN 0.340 nan 8.190 nan 0.000 0.447 272 Q N -0.582 119.190 119.800 -0.046 0.000 2.124 272 Q HA -0.232 4.108 4.340 0.001 0.000 0.202 272 Q C 2.410 178.403 176.000 -0.013 0.000 0.977 272 Q CA 1.930 57.741 55.803 0.013 0.000 0.850 272 Q CB -0.255 28.528 28.738 0.076 0.000 0.901 272 Q HN 0.665 nan 8.270 nan 0.000 0.429 273 R N 0.650 121.135 120.500 -0.025 0.000 2.115 273 R HA -0.144 4.197 4.340 0.001 0.000 0.230 273 R C 1.493 177.722 176.300 -0.117 0.000 1.111 273 R CA 1.550 57.619 56.100 -0.052 0.000 0.976 273 R CB 0.006 30.231 30.300 -0.124 0.000 0.870 273 R HN 0.268 nan 8.270 nan 0.000 0.445 274 E N 0.013 120.091 120.200 -0.202 0.000 2.031 274 E HA -0.174 4.176 4.350 0.001 0.000 0.193 274 E C 1.382 177.887 176.600 -0.159 0.000 0.994 274 E CA 1.118 57.374 56.400 -0.239 0.000 0.800 274 E CB -0.151 29.343 29.700 -0.343 0.000 0.752 274 E HN 0.590 nan 8.360 nan 0.000 0.447 275 H N 0.155 119.220 119.070 -0.007 0.000 2.553 275 H HA 0.191 4.747 4.556 0.001 0.000 0.269 275 H C 1.034 176.363 175.328 0.003 0.000 1.011 275 H CA 0.706 56.754 56.048 -0.001 0.000 1.150 275 H CB -0.574 29.191 29.762 0.005 0.000 1.339 275 H HN 0.205 nan 8.280 nan 0.000 0.604 276 G N 1.308 110.155 108.800 0.077 0.000 2.955 276 G HA2 -0.214 3.746 3.960 0.001 0.000 0.604 276 G HA3 -0.214 3.746 3.960 0.001 0.000 0.604 276 G C 0.140 175.083 174.900 0.071 0.000 1.572 276 G CA 0.257 45.391 45.100 0.056 0.000 1.016 276 G HN 0.665 nan 8.290 nan 0.000 0.569 277 T N -1.877 112.710 114.554 0.056 0.000 2.864 277 T HA 0.690 5.040 4.350 0.001 0.000 0.299 277 T C 0.138 174.865 174.700 0.045 0.000 1.166 277 T CA -0.082 62.051 62.100 0.056 0.000 1.007 277 T CB 1.974 70.879 68.868 0.061 0.000 1.219 277 T HN 0.918 nan 8.240 nan 0.000 0.506 278 E N 1.104 121.331 120.200 0.044 0.000 2.521 278 E HA 0.106 4.456 4.350 0.001 0.000 0.269 278 E C -0.078 176.547 176.600 0.042 0.000 1.182 278 E CA 0.350 56.776 56.400 0.043 0.000 1.053 278 E CB 0.235 29.963 29.700 0.047 0.000 1.013 278 E HN 0.745 nan 8.360 nan 0.000 0.470 279 K N -0.329 120.095 120.400 0.039 0.000 2.482 279 K HA 0.581 4.901 4.320 0.001 0.000 0.257 279 K C -1.387 175.238 176.600 0.042 0.000 0.969 279 K CA -0.959 55.352 56.287 0.040 0.000 0.842 279 K CB 1.089 33.606 32.500 0.028 0.000 1.359 279 K HN 0.245 nan 8.250 nan 0.000 0.441 280 L N 2.403 123.657 121.223 0.051 0.000 2.275 280 L HA 0.488 4.828 4.340 0.001 0.000 0.288 280 L C -0.764 176.133 176.870 0.046 0.000 1.046 280 L CA -0.325 54.550 54.840 0.058 0.000 0.805 280 L CB 1.543 43.648 42.059 0.076 0.000 1.193 280 L HN 0.647 nan 8.230 nan 0.000 0.426 281 V N 1.907 121.848 119.914 0.046 0.000 3.113 281 V HA 0.960 5.081 4.120 0.001 0.000 0.316 281 V C 0.252 176.391 176.094 0.075 0.000 1.125 281 V CA -0.353 61.965 62.300 0.030 0.000 1.026 281 V CB 1.317 33.143 31.823 0.005 0.000 1.080 281 V HN 0.814 nan 8.190 nan 0.000 0.444 282 G N 1.139 109.972 108.800 0.055 0.000 2.420 282 G HA2 0.642 4.603 3.960 0.001 0.000 0.284 282 G HA3 0.642 4.603 3.960 0.001 0.000 0.284 282 G C -0.901 174.141 174.900 0.236 0.000 1.177 282 G CA -0.774 44.465 45.100 0.233 0.000 0.841 282 G HN 0.865 nan 8.290 nan 0.000 0.527 283 L N 0.938 122.353 121.223 0.320 0.000 2.362 283 L HA 0.634 4.974 4.340 0.001 0.000 0.271 283 L C -0.652 176.331 176.870 0.189 0.000 1.002 283 L CA -1.154 53.799 54.840 0.188 0.000 0.818 283 L CB 2.359 44.480 42.059 0.103 0.000 1.298 283 L HN 0.180 nan 8.230 nan 0.000 0.420 284 V N 3.147 123.144 119.914 0.138 0.000 2.588 284 V HA 0.460 4.580 4.120 0.001 0.000 0.304 284 V C -0.372 175.720 176.094 -0.004 0.000 1.042 284 V CA -0.356 62.003 62.300 0.099 0.000 0.877 284 V CB 2.107 34.016 31.823 0.143 0.000 0.996 284 V HN 0.804 nan 8.190 nan 0.000 0.425 285 M N 4.200 123.786 119.600 -0.023 0.000 1.987 285 M HA 0.225 4.705 4.480 0.001 0.000 0.298 285 M C 1.186 177.409 176.300 -0.127 0.000 0.892 285 M CA -0.404 54.866 55.300 -0.051 0.000 0.885 285 M CB 1.458 34.060 32.600 0.005 0.000 1.469 285 M HN 0.937 nan 8.290 nan 0.000 0.389 286 T N 0.218 114.594 114.554 -0.297 0.000 2.788 286 T HA -0.046 4.304 4.350 0.001 0.000 0.268 286 T C 0.401 175.024 174.700 -0.129 0.000 1.044 286 T CA 0.956 62.805 62.100 -0.418 0.000 1.139 286 T CB -0.440 68.172 68.868 -0.426 0.000 0.867 286 T HN 0.634 nan 8.240 nan 0.000 0.454 287 E N 1.715 121.874 120.200 -0.070 0.000 2.437 287 E HA 0.354 4.704 4.350 0.001 0.000 0.263 287 E C -0.095 176.528 176.600 0.038 0.000 1.030 287 E CA -0.209 56.185 56.400 -0.010 0.000 0.934 287 E CB 0.255 29.950 29.700 -0.007 0.000 0.943 287 E HN 0.301 nan 8.360 nan 0.000 0.444 288 K N 1.185 121.618 120.400 0.055 0.000 2.485 288 K HA 0.408 4.728 4.320 0.001 0.000 0.277 288 K C 0.296 176.942 176.600 0.077 0.000 0.990 288 K CA 1.216 57.554 56.287 0.084 0.000 0.994 288 K CB 0.427 32.964 32.500 0.062 0.000 0.906 288 K HN 0.712 nan 8.250 nan 0.000 0.488 289 G N -0.476 108.389 108.800 0.108 0.000 2.353 289 G HA2 0.172 4.132 3.960 0.001 0.000 0.424 289 G HA3 0.172 4.132 3.960 0.001 0.000 0.424 289 G C -1.815 173.171 174.900 0.143 0.000 1.320 289 G CA -0.941 44.214 45.100 0.092 0.000 0.995 289 G HN 0.442 nan 8.290 nan 0.000 0.580 290 V N 0.754 120.732 119.914 0.107 0.000 2.567 290 V HA 0.476 4.596 4.120 0.001 0.000 0.298 290 V C 0.517 176.655 176.094 0.073 0.000 1.047 290 V CA -0.672 61.702 62.300 0.122 0.000 0.880 290 V CB 1.435 33.329 31.823 0.119 0.000 1.009 290 V HN 0.785 nan 8.190 nan 0.000 0.429 291 L N 5.595 126.853 121.223 0.058 0.000 2.490 291 L HA 0.384 4.724 4.340 0.001 0.000 0.274 291 L C 0.387 177.280 176.870 0.039 0.000 1.201 291 L CA 0.112 54.975 54.840 0.039 0.000 0.869 291 L CB 0.209 42.280 42.059 0.020 0.000 1.123 291 L HN 0.548 nan 8.230 nan 0.000 0.484 292 R N 1.816 122.340 120.500 0.039 0.000 2.832 292 R HA 0.382 4.723 4.340 0.001 0.000 0.271 292 R C -0.593 175.732 176.300 0.041 0.000 0.996 292 R CA -1.359 54.765 56.100 0.040 0.000 0.977 292 R CB 0.731 31.055 30.300 0.039 0.000 1.168 292 R HN 0.440 nan 8.270 nan 0.000 0.482 293 N N 2.031 120.758 118.700 0.045 0.000 2.407 293 N HA -0.033 4.708 4.740 0.001 0.000 0.250 293 N C 0.153 175.689 175.510 0.043 0.000 1.236 293 N CA 0.605 53.683 53.050 0.047 0.000 0.879 293 N CB 0.221 38.740 38.487 0.053 0.000 1.088 293 N HN 0.557 nan 8.380 nan 0.000 0.450 294 E N -2.193 118.033 120.200 0.043 0.000 4.129 294 E HA -0.231 4.120 4.350 0.001 0.000 0.354 294 E C -0.666 175.958 176.600 0.039 0.000 0.673 294 E CA 0.321 56.745 56.400 0.040 0.000 1.347 294 E CB -1.011 28.710 29.700 0.037 0.000 1.722 294 E HN 0.244 nan 8.360 nan 0.000 0.410 295 L N 1.706 122.954 121.223 0.041 0.000 2.453 295 L HA 0.206 4.547 4.340 0.001 0.000 0.272 295 L C -1.931 174.968 176.870 0.047 0.000 1.182 295 L CA -1.103 53.762 54.840 0.041 0.000 0.858 295 L CB -0.349 41.734 42.059 0.041 0.000 1.120 295 L HN -0.194 nan 8.230 nan 0.000 0.474 296 P HA 0.070 nan 4.420 nan 0.000 0.268 296 P C -0.994 176.347 177.300 0.067 0.000 1.205 296 P CA -0.080 63.052 63.100 0.053 0.000 0.771 296 P CB 0.591 32.316 31.700 0.041 0.000 0.858 297 V N 5.293 125.262 119.914 0.092 0.000 2.334 297 V HA 0.359 4.480 4.120 0.001 0.000 0.281 297 V C 0.464 176.663 176.094 0.174 0.000 1.016 297 V CA -0.416 61.959 62.300 0.123 0.000 0.832 297 V CB 0.786 32.688 31.823 0.131 0.000 0.999 297 V HN 0.463 nan 8.190 nan 0.000 0.439 298 R N 4.716 125.308 120.500 0.154 0.000 2.664 298 R HA 0.863 5.203 4.340 0.001 0.000 0.286 298 R C -0.946 175.498 176.300 0.240 0.000 0.967 298 R CA -0.485 55.692 56.100 0.128 0.000 0.933 298 R CB 2.288 32.613 30.300 0.042 0.000 1.146 298 R HN 0.688 nan 8.270 nan 0.000 0.468 299 F N -2.406 117.573 119.950 0.048 0.000 2.779 299 F HA 0.550 5.077 4.527 0.001 0.000 0.316 299 F C -1.401 174.423 175.800 0.040 0.000 1.164 299 F CA -0.916 57.114 58.000 0.050 0.000 0.924 299 F CB 1.872 40.913 39.000 0.068 0.000 1.348 299 F HN 0.212 nan 8.300 nan 0.000 0.467 300 T N 1.625 116.248 114.554 0.114 0.000 2.881 300 T HA 0.382 4.732 4.350 0.001 0.000 0.291 300 T C -1.283 173.519 174.700 0.170 0.000 0.990 300 T CA -0.584 61.505 62.100 -0.019 0.000 0.976 300 T CB 1.085 69.949 68.868 -0.007 0.000 0.970 300 T HN 0.833 nan 8.240 nan 0.000 0.438 301 D N 2.200 122.685 120.400 0.143 0.000 2.360 301 D HA 0.407 5.047 4.640 0.001 0.000 0.242 301 D C 1.550 177.926 176.300 0.127 0.000 1.184 301 D CA -0.391 53.755 54.000 0.242 0.000 0.930 301 D CB 0.551 41.550 40.800 0.333 0.000 1.161 301 D HN 0.423 nan 8.370 nan 0.000 0.447 302 A N 0.959 123.851 122.820 0.120 0.000 1.896 302 A HA -0.334 3.986 4.320 0.001 0.000 0.220 302 A C 1.929 179.544 177.584 0.052 0.000 1.206 302 A CA 2.229 54.310 52.037 0.074 0.000 0.647 302 A CB -1.087 17.952 19.000 0.064 0.000 0.828 302 A HN 0.630 nan 8.150 nan 0.000 0.455 303 Q N -1.253 118.580 119.800 0.055 0.000 2.541 303 Q HA 0.301 4.641 4.340 0.001 0.000 0.215 303 Q C 1.293 177.300 176.000 0.011 0.000 0.977 303 Q CA 0.991 56.814 55.803 0.033 0.000 0.934 303 Q CB -0.415 28.346 28.738 0.039 0.000 0.988 303 Q HN 1.126 nan 8.270 nan 0.000 0.521 304 G N -0.673 108.129 108.800 0.005 0.000 2.175 304 G HA2 -0.255 3.706 3.960 0.001 0.000 0.244 304 G HA3 -0.255 3.706 3.960 0.001 0.000 0.244 304 G C -0.054 174.800 174.900 -0.076 0.000 0.982 304 G CA -0.175 44.910 45.100 -0.025 0.000 0.641 304 G HN 0.315 nan 8.290 nan 0.000 0.527 305 N N 0.825 119.462 118.700 -0.105 0.000 2.492 305 N HA 0.394 5.134 4.740 0.001 0.000 0.260 305 N C 0.322 175.548 175.510 -0.473 0.000 1.215 305 N CA 0.426 53.325 53.050 -0.251 0.000 0.923 305 N CB 0.649 38.991 38.487 -0.242 0.000 1.092 305 N HN 0.477 nan 8.380 nan 0.000 0.448 306 Q N 1.253 120.748 119.800 -0.509 0.000 2.241 306 Q HA 0.379 4.719 4.340 0.001 0.000 0.254 306 Q C -0.569 174.941 176.000 -0.816 0.000 0.917 306 Q CA -0.270 55.195 55.803 -0.562 0.000 0.919 306 Q CB 1.044 29.607 28.738 -0.292 0.000 1.237 306 Q HN 0.497 nan 8.270 nan 0.000 0.434 307 H N 0.551 119.291 119.070 -0.551 0.000 2.894 307 H HA 0.539 5.095 4.556 0.001 0.000 0.368 307 H C -1.031 174.043 175.328 -0.424 0.000 1.181 307 H CA -0.762 54.971 56.048 -0.526 0.000 1.146 307 H CB 2.057 31.399 29.762 -0.701 0.000 1.839 307 H HN 0.605 nan 8.280 nan 0.000 0.557 308 E N 0.076 120.269 120.200 -0.011 0.000 2.314 308 E HA 0.526 4.876 4.350 0.001 0.000 0.272 308 E C -0.839 175.853 176.600 0.153 0.000 0.884 308 E CA -0.755 55.685 56.400 0.068 0.000 0.753 308 E CB 2.647 32.365 29.700 0.029 0.000 1.213 308 E HN 0.805 nan 8.360 nan 0.000 0.432 309 G N 2.441 111.351 108.800 0.182 0.000 3.209 309 G HA2 0.734 4.694 3.960 0.001 0.000 0.236 309 G HA3 0.734 4.694 3.960 0.001 0.000 0.236 309 G C -1.252 173.710 174.900 0.103 0.000 1.329 309 G CA -0.608 44.579 45.100 0.144 0.000 1.015 309 G HN 0.532 nan 8.290 nan 0.000 0.571 310 I N -0.888 119.734 120.570 0.086 0.000 2.827 310 I HA 0.473 4.643 4.170 0.001 0.000 0.298 310 I C -0.944 175.213 176.117 0.066 0.000 1.235 310 I CA -1.176 60.165 61.300 0.068 0.000 1.021 310 I CB 2.221 40.254 38.000 0.054 0.000 1.259 310 I HN 0.350 nan 8.210 nan 0.000 0.427 311 I N 5.560 126.166 120.570 0.060 0.000 2.471 311 I HA 0.106 4.277 4.170 0.001 0.000 0.286 311 I C 1.302 177.451 176.117 0.054 0.000 1.079 311 I CA 0.138 61.473 61.300 0.059 0.000 1.398 311 I CB 1.487 39.519 38.000 0.053 0.000 1.403 311 I HN 0.766 nan 8.210 nan 0.000 0.530 312 T N 0.769 115.358 114.554 0.058 0.000 3.010 312 T HA 0.098 4.449 4.350 0.001 0.000 0.252 312 T C 0.680 175.415 174.700 0.058 0.000 1.047 312 T CA 0.104 62.235 62.100 0.052 0.000 1.140 312 T CB 0.250 69.148 68.868 0.052 0.000 0.885 312 T HN 0.483 nan 8.240 nan 0.000 0.464 313 S N -0.114 115.624 115.700 0.062 0.000 2.614 313 S HA 0.672 5.143 4.470 0.001 0.000 0.275 313 S C -0.421 174.201 174.600 0.038 0.000 1.161 313 S CA -0.882 57.352 58.200 0.058 0.000 0.969 313 S CB 1.927 65.167 63.200 0.068 0.000 1.059 313 S HN 0.770 nan 8.310 nan 0.000 0.482 314 G N 0.650 109.468 108.800 0.030 0.000 2.482 314 G HA2 0.780 4.740 3.960 0.001 0.000 0.317 314 G HA3 0.780 4.740 3.960 0.001 0.000 0.317 314 G C -0.809 174.092 174.900 0.003 0.000 1.241 314 G CA -0.524 44.580 45.100 0.008 0.000 0.967 314 G HN 0.664 nan 8.290 nan 0.000 0.482 315 T N -0.418 114.117 114.554 -0.030 0.000 2.661 315 T HA 0.545 4.895 4.350 0.001 0.000 0.305 315 T C -1.992 172.709 174.700 0.001 0.000 1.441 315 T CA -0.506 61.595 62.100 0.001 0.000 0.999 315 T CB 1.101 69.960 68.868 -0.016 0.000 1.650 315 T HN 0.480 nan 8.240 nan 0.000 0.489 316 F N 2.378 122.272 119.950 -0.093 0.000 2.404 316 F HA 0.644 5.171 4.527 0.001 0.000 0.354 316 F C 0.323 176.013 175.800 -0.182 0.000 1.122 316 F CA -0.521 57.411 58.000 -0.114 0.000 1.080 316 F CB 1.343 40.288 39.000 -0.092 0.000 1.131 316 F HN 0.355 nan 8.300 nan 0.000 0.471 317 S N 8.207 123.395 115.700 -0.854 0.000 2.422 317 S HA 0.309 4.779 4.470 0.001 0.000 0.283 317 S C -1.803 172.372 174.600 -0.708 0.000 1.163 317 S CA -1.355 56.446 58.200 -0.665 0.000 1.054 317 S CB 0.772 63.584 63.200 -0.648 0.000 0.967 317 S HN 0.529 nan 8.310 nan 0.000 0.499 318 P HA -0.012 nan 4.420 nan 0.000 0.220 318 P C 1.175 178.329 177.300 -0.243 0.000 1.148 318 P CA 0.968 63.920 63.100 -0.248 0.000 0.803 318 P CB 0.022 31.435 31.700 -0.480 0.000 0.782 319 T N -0.698 113.696 114.554 -0.267 0.000 2.896 319 T HA 0.052 4.403 4.350 0.001 0.000 0.263 319 T C 1.644 176.228 174.700 -0.193 0.000 1.050 319 T CA 0.928 62.973 62.100 -0.092 0.000 1.140 319 T CB -0.559 68.339 68.868 0.049 0.000 0.877 319 T HN 0.071 nan 8.240 nan 0.000 0.457 320 L N 0.077 121.056 121.223 -0.406 0.000 2.249 320 L HA 0.292 4.632 4.340 0.001 0.000 0.207 320 L C 1.962 178.409 176.870 -0.706 0.000 1.090 320 L CA 0.634 55.102 54.840 -0.621 0.000 0.802 320 L CB -0.454 40.986 42.059 -1.033 0.000 0.947 320 L HN 0.487 nan 8.230 nan 0.000 0.453 321 G N -0.137 108.235 108.800 -0.714 0.000 2.142 321 G HA2 -0.277 3.683 3.960 0.001 0.000 0.225 321 G HA3 -0.277 3.683 3.960 0.001 0.000 0.225 321 G C -0.188 174.468 174.900 -0.407 0.000 1.015 321 G CA 0.233 45.112 45.100 -0.368 0.000 0.716 321 G HN 0.443 nan 8.290 nan 0.000 0.508 322 Y N -2.636 117.209 120.300 -0.758 0.000 2.725 322 Y HA 0.816 5.366 4.550 0.001 0.000 0.333 322 Y C -0.054 175.434 175.900 -0.686 0.000 1.242 322 Y CA -1.360 56.410 58.100 -0.550 0.000 1.059 322 Y CB 0.408 38.751 38.460 -0.196 0.000 1.306 322 Y HN 0.536 nan 8.280 nan 0.000 0.454 323 S N 1.571 117.236 115.700 -0.059 0.000 2.584 323 S HA 0.762 5.232 4.470 0.001 0.000 0.273 323 S C -0.450 174.093 174.600 -0.095 0.000 1.311 323 S CA -0.377 57.755 58.200 -0.113 0.000 1.034 323 S CB -0.310 62.917 63.200 0.045 0.000 0.939 323 S HN 0.845 nan 8.310 nan 0.000 0.513 324 I N 0.579 120.990 120.570 -0.265 0.000 3.074 324 I HA 0.984 5.154 4.170 0.001 0.000 0.310 324 I C -0.697 175.228 176.117 -0.320 0.000 1.153 324 I CA -1.319 59.722 61.300 -0.433 0.000 0.993 324 I CB 1.842 39.177 38.000 -1.108 0.000 1.237 324 I HN 0.733 nan 8.210 nan 0.000 0.443 325 A N 3.694 126.372 122.820 -0.236 0.000 2.609 325 A HA 0.810 5.130 4.320 0.001 0.000 0.291 325 A C -1.578 176.078 177.584 0.120 0.000 1.096 325 A CA -0.727 51.281 52.037 -0.047 0.000 0.684 325 A CB 1.787 20.795 19.000 0.015 0.000 1.282 325 A HN 0.738 nan 8.150 nan 0.000 0.412 326 L N 0.596 121.894 121.223 0.126 0.000 2.325 326 L HA 0.785 5.125 4.340 0.001 0.000 0.278 326 L C 0.244 177.178 176.870 0.107 0.000 1.023 326 L CA -0.494 54.441 54.840 0.157 0.000 0.811 326 L CB 1.844 43.993 42.059 0.150 0.000 1.249 326 L HN 0.944 nan 8.230 nan 0.000 0.431 327 A N 3.210 126.090 122.820 0.100 0.000 2.488 327 A HA 0.587 4.907 4.320 0.001 0.000 0.298 327 A C -1.034 176.593 177.584 0.071 0.000 1.044 327 A CA -0.670 51.415 52.037 0.080 0.000 0.693 327 A CB 1.669 20.718 19.000 0.081 0.000 1.272 327 A HN 0.756 nan 8.150 nan 0.000 0.402 328 R N 1.676 122.215 120.500 0.066 0.000 2.207 328 R HA 0.607 4.947 4.340 0.001 0.000 0.334 328 R C -0.724 175.619 176.300 0.071 0.000 1.013 328 R CA -0.148 55.989 56.100 0.061 0.000 0.858 328 R CB 0.694 31.025 30.300 0.051 0.000 1.094 328 R HN 1.013 nan 8.270 nan 0.000 0.457 329 V N 1.680 121.635 119.914 0.068 0.000 3.078 329 V HA 0.661 4.782 4.120 0.001 0.000 0.311 329 V C -2.788 173.358 176.094 0.085 0.000 1.138 329 V CA -3.015 59.343 62.300 0.096 0.000 1.007 329 V CB 1.929 33.793 31.823 0.067 0.000 1.045 329 V HN 0.648 nan 8.190 nan 0.000 0.432 330 P HA 0.122 nan 4.420 nan 0.000 0.265 330 P C -0.252 177.067 177.300 0.031 0.000 1.187 330 P CA 0.293 63.453 63.100 0.100 0.000 0.766 330 P CB 0.221 32.026 31.700 0.175 0.000 0.820 331 E N 1.697 121.903 120.200 0.010 0.000 2.481 331 E HA 0.097 4.448 4.350 0.001 0.000 0.263 331 E C 1.523 178.111 176.600 -0.020 0.000 0.992 331 E CA 1.625 58.016 56.400 -0.015 0.000 0.938 331 E CB -0.087 29.610 29.700 -0.004 0.000 0.933 331 E HN 0.819 nan 8.360 nan 0.000 0.453 332 G N 2.673 111.446 108.800 -0.046 0.000 2.218 332 G HA2 -0.262 3.699 3.960 0.001 0.000 0.216 332 G HA3 -0.262 3.699 3.960 0.001 0.000 0.216 332 G C 0.464 175.297 174.900 -0.111 0.000 0.994 332 G CA -0.052 45.038 45.100 -0.017 0.000 0.637 332 G HN 0.531 nan 8.290 nan 0.000 0.505 333 I N 2.037 122.379 120.570 -0.379 0.000 2.813 333 I HA 0.466 4.637 4.170 0.001 0.000 0.287 333 I C 1.366 177.204 176.117 -0.465 0.000 1.196 333 I CA 0.867 61.587 61.300 -0.965 0.000 1.421 333 I CB 0.756 38.216 38.000 -0.900 0.000 1.365 333 I HN 0.237 nan 8.210 nan 0.000 0.591 334 G N 4.511 113.062 108.800 -0.416 0.000 2.849 334 G HA2 0.217 4.177 3.960 0.001 0.000 0.174 334 G HA3 0.217 4.177 3.960 0.001 0.000 0.174 334 G C 0.343 175.155 174.900 -0.146 0.000 1.370 334 G CA -0.203 44.792 45.100 -0.175 0.000 1.040 334 G HN 0.691 nan 8.290 nan 0.000 0.582 335 E N -0.380 119.774 120.200 -0.076 0.000 2.435 335 E HA 0.075 4.426 4.350 0.001 0.000 0.195 335 E C 0.643 177.220 176.600 -0.039 0.000 1.029 335 E CA 0.877 57.245 56.400 -0.054 0.000 0.865 335 E CB 0.235 29.916 29.700 -0.032 0.000 0.833 335 E HN 0.447 nan 8.360 nan 0.000 0.510 336 T N -2.179 112.355 114.554 -0.032 0.000 2.843 336 T HA 0.760 5.110 4.350 0.001 0.000 0.302 336 T C -0.757 173.956 174.700 0.021 0.000 1.232 336 T CA -0.638 61.460 62.100 -0.002 0.000 1.009 336 T CB 2.460 71.336 68.868 0.013 0.000 1.254 336 T HN 0.037 nan 8.240 nan 0.000 0.504 337 A N 1.007 123.856 122.820 0.048 0.000 2.557 337 A HA 0.877 5.198 4.320 0.001 0.000 0.292 337 A C -1.359 176.276 177.584 0.085 0.000 1.139 337 A CA -1.028 51.071 52.037 0.104 0.000 0.665 337 A CB 1.076 20.148 19.000 0.120 0.000 1.285 337 A HN 1.637 nan 8.150 nan 0.000 0.433 338 I N -1.769 118.861 120.570 0.100 0.000 2.608 338 I HA 0.833 5.003 4.170 0.001 0.000 0.295 338 I C -1.369 174.788 176.117 0.067 0.000 1.049 338 I CA -1.131 60.209 61.300 0.068 0.000 1.063 338 I CB 1.969 40.001 38.000 0.053 0.000 1.248 338 I HN 0.251 nan 8.210 nan 0.000 0.424 339 V N 4.505 124.450 119.914 0.052 0.000 2.444 339 V HA 0.292 4.413 4.120 0.001 0.000 0.294 339 V C -0.069 176.047 176.094 0.037 0.000 1.022 339 V CA -0.459 61.870 62.300 0.048 0.000 0.850 339 V CB 1.510 33.361 31.823 0.047 0.000 0.992 339 V HN 0.897 nan 8.190 nan 0.000 0.426 340 Q N 5.261 125.082 119.800 0.034 0.000 2.296 340 Q HA 0.472 4.812 4.340 0.001 0.000 0.263 340 Q C -1.000 175.016 176.000 0.027 0.000 1.026 340 Q CA 0.209 56.028 55.803 0.027 0.000 0.912 340 Q CB 0.586 29.338 28.738 0.023 0.000 1.198 340 Q HN 0.740 nan 8.270 nan 0.000 0.407 341 I N 5.140 125.725 120.570 0.025 0.000 2.420 341 I HA 0.327 4.497 4.170 0.001 0.000 0.282 341 I C -0.062 176.067 176.117 0.020 0.000 1.019 341 I CA -0.894 60.421 61.300 0.025 0.000 1.130 341 I CB 1.209 39.226 38.000 0.028 0.000 1.262 341 I HN 0.828 nan 8.210 nan 0.000 0.454 342 R N 4.980 125.491 120.500 0.018 0.000 3.416 342 R HA -0.247 4.094 4.340 0.001 0.000 0.263 342 R C 0.414 176.722 176.300 0.013 0.000 1.053 342 R CA 0.528 56.637 56.100 0.015 0.000 0.705 342 R CB -1.319 28.989 30.300 0.014 0.000 1.124 342 R HN 0.932 nan 8.270 nan 0.000 0.444 343 N N -2.339 116.369 118.700 0.013 0.000 2.825 343 N HA -0.207 4.533 4.740 0.001 0.000 0.206 343 N C -0.078 175.439 175.510 0.012 0.000 1.057 343 N CA 1.942 54.999 53.050 0.012 0.000 1.343 343 N CB -0.733 37.759 38.487 0.009 0.000 0.942 343 N HN 0.433 nan 8.380 nan 0.000 0.562 344 R N 2.388 122.896 120.500 0.013 0.000 2.502 344 R HA 0.021 4.361 4.340 0.001 0.000 0.292 344 R C 0.144 176.454 176.300 0.016 0.000 0.998 344 R CA 0.458 56.566 56.100 0.013 0.000 1.056 344 R CB 0.248 30.556 30.300 0.014 0.000 0.939 344 R HN 0.102 nan 8.270 nan 0.000 0.411 345 E N 4.637 124.845 120.200 0.015 0.000 1.865 345 E HA 0.036 4.387 4.350 0.001 0.000 0.269 345 E C -0.124 176.488 176.600 0.019 0.000 1.177 345 E CA 0.036 56.447 56.400 0.018 0.000 0.932 345 E CB 0.527 30.236 29.700 0.016 0.000 1.066 345 E HN 0.290 nan 8.360 nan 0.000 0.405 346 M N 4.488 124.102 119.600 0.023 0.000 2.146 346 M HA 0.280 4.760 4.480 0.001 0.000 0.357 346 M C -2.191 174.122 176.300 0.022 0.000 1.261 346 M CA -2.778 52.535 55.300 0.021 0.000 1.106 346 M CB 0.412 33.025 32.600 0.023 0.000 1.612 346 M HN -0.034 nan 8.290 nan 0.000 0.470 347 P HA 0.386 nan 4.420 nan 0.000 0.279 347 P C -0.865 176.441 177.300 0.009 0.000 1.239 347 P CA -0.407 62.702 63.100 0.016 0.000 0.789 347 P CB 0.967 32.671 31.700 0.007 0.000 0.933 348 V N -0.454 119.470 119.914 0.016 0.000 2.876 348 V HA 0.577 4.698 4.120 0.001 0.000 0.312 348 V C -0.341 175.759 176.094 0.010 0.000 1.085 348 V CA -1.299 61.008 62.300 0.011 0.000 0.945 348 V CB 2.129 33.970 31.823 0.029 0.000 1.017 348 V HN 0.454 nan 8.190 nan 0.000 0.428 349 K N 2.337 122.739 120.400 0.003 0.000 2.205 349 K HA 0.637 4.957 4.320 0.001 0.000 0.279 349 K C -0.939 175.676 176.600 0.025 0.000 1.027 349 K CA -0.535 55.754 56.287 0.004 0.000 0.932 349 K CB 1.676 34.172 32.500 -0.007 0.000 1.032 349 K HN 0.721 nan 8.250 nan 0.000 0.466 350 V N 4.455 124.371 119.914 0.003 0.000 2.461 350 V HA 0.207 4.327 4.120 0.001 0.000 0.275 350 V C 0.426 176.516 176.094 -0.006 0.000 1.047 350 V CA -0.320 61.978 62.300 -0.003 0.000 0.955 350 V CB 0.790 32.579 31.823 -0.056 0.000 0.988 350 V HN 1.054 nan 8.190 nan 0.000 0.471 351 T N 1.978 116.536 114.554 0.007 0.000 2.831 351 T HA 0.543 4.893 4.350 0.001 0.000 0.287 351 T C -0.352 174.295 174.700 -0.089 0.000 1.070 351 T CA -1.072 61.005 62.100 -0.037 0.000 1.010 351 T CB 1.842 70.692 68.868 -0.030 0.000 1.264 351 T HN 0.646 nan 8.240 nan 0.000 0.532 352 K N 0.536 120.855 120.400 -0.135 0.000 2.380 352 K HA 0.150 4.470 4.320 0.001 0.000 0.267 352 K C -2.395 174.037 176.600 -0.281 0.000 0.990 352 K CA -1.195 54.993 56.287 -0.166 0.000 0.946 352 K CB -0.431 31.969 32.500 -0.167 0.000 0.937 352 K HN 0.397 nan 8.250 nan 0.000 0.491 353 P HA 0.083 nan 4.420 nan 0.000 0.225 353 P C -0.735 176.341 177.300 -0.374 0.000 1.768 353 P CA -0.161 62.796 63.100 -0.239 0.000 0.943 353 P CB 0.183 31.853 31.700 -0.050 0.000 1.936 354 V N 0.585 120.065 119.914 -0.725 0.000 3.077 354 V HA 0.446 4.566 4.120 0.001 0.000 0.299 354 V C -0.660 174.883 176.094 -0.919 0.000 1.276 354 V CA -0.529 61.403 62.300 -0.614 0.000 0.993 354 V CB 1.793 33.442 31.823 -0.291 0.000 1.076 354 V HN -0.022 nan 8.190 nan 0.000 0.434 355 F N 3.582 123.512 119.950 -0.032 0.000 2.421 355 F HA 0.569 5.096 4.527 0.001 0.000 0.270 355 F C 0.299 176.079 175.800 -0.033 0.000 0.894 355 F CA 0.078 58.061 58.000 -0.027 0.000 1.128 355 F CB 0.561 39.541 39.000 -0.034 0.000 1.011 355 F HN 0.301 nan 8.300 nan 0.000 0.788 356 V N 1.828 121.827 119.914 0.142 0.000 2.760 356 V HA 0.630 4.750 4.120 0.001 0.000 0.309 356 V C -0.860 175.245 176.094 0.019 0.000 1.077 356 V CA -0.848 61.492 62.300 0.066 0.000 0.910 356 V CB 2.261 34.131 31.823 0.079 0.000 1.008 356 V HN 0.069 nan 8.190 nan 0.000 0.424 357 R N 2.795 123.291 120.500 -0.007 0.000 2.651 357 R HA 0.462 4.802 4.340 0.001 0.000 0.278 357 R C -0.286 176.000 176.300 -0.024 0.000 1.010 357 R CA -0.802 55.283 56.100 -0.025 0.000 0.896 357 R CB 1.679 31.953 30.300 -0.043 0.000 1.211 357 R HN 0.853 nan 8.270 nan 0.000 0.456 358 N N 0.937 119.620 118.700 -0.029 0.000 2.710 358 N HA -0.248 4.493 4.740 0.001 0.000 0.249 358 N C 0.757 176.250 175.510 -0.028 0.000 1.059 358 N CA 1.644 54.676 53.050 -0.030 0.000 0.720 358 N CB -0.660 37.810 38.487 -0.028 0.000 0.983 358 N HN 1.096 nan 8.380 nan 0.000 0.544 359 G N -1.509 107.277 108.800 -0.025 0.000 2.234 359 G HA2 -0.293 3.667 3.960 0.001 0.000 0.235 359 G HA3 -0.293 3.667 3.960 0.001 0.000 0.235 359 G C -0.080 174.820 174.900 -0.000 0.000 0.997 359 G CA 0.609 45.698 45.100 -0.019 0.000 0.623 359 G HN 0.466 nan 8.290 nan 0.000 0.514 360 K N 0.446 120.846 120.400 -0.000 0.000 2.371 360 K HA 0.729 5.050 4.320 0.001 0.000 0.251 360 K C 0.178 176.784 176.600 0.010 0.000 0.934 360 K CA -0.292 55.998 56.287 0.005 0.000 0.798 360 K CB 2.365 34.864 32.500 -0.003 0.000 1.204 360 K HN 0.617 nan 8.250 nan 0.000 0.427 361 A N 1.692 124.523 122.820 0.018 0.000 2.540 361 A HA 0.113 4.433 4.320 0.001 0.000 0.239 361 A C 0.261 177.854 177.584 0.014 0.000 1.061 361 A CA -0.259 51.796 52.037 0.030 0.000 0.758 361 A CB -0.005 19.021 19.000 0.044 0.000 0.991 361 A HN 0.450 nan 8.150 nan 0.000 0.502 362 V N 3.904 123.821 119.914 0.004 0.000 2.287 362 V HA 0.322 4.442 4.120 0.001 0.000 0.246 362 V C 1.183 177.265 176.094 -0.019 0.000 1.165 362 V CA 0.222 62.506 62.300 -0.028 0.000 1.088 362 V CB -1.043 30.739 31.823 -0.068 0.000 1.242 362 V HN 1.066 nan 8.190 nan 0.000 0.497 363 A N 0.000 122.817 122.820 -0.006 0.000 2.254 363 A HA 0.000 4.320 4.320 0.001 0.000 0.244 363 A CA 0.000 52.039 52.037 0.003 0.000 0.836 363 A CB 0.000 19.004 19.000 0.007 0.000 0.831 363 A HN 0.000 nan 8.150 nan 0.000 0.486