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 2gcq_1_A DATA FIRST_RESID 1 DATA SEQUENCE GNNVVVLGTQ WGDEGKGKIV DLLTERAKYV VRYQGGHNAG HTLVINGEKT DATA SEQUENCE VLHLIPSGIL RENVTSIIGN GVVLSPAALM KEMKELEDRG IPVRERLLLS DATA SEQUENCE EACPLILDYH VALDNAREKA RGAKAIGTTG RGIGPAYEDK VARRGLRVGD DATA SEQUENCE LFDKETFAEK LKEVMEYHNF QLVNYYKAEA VDYQKVLDDT MAVADILTSM DATA SEQUENCE VVDVSDLLDQ ARQRGDFVMF EGAQGTLLDI DHGTYPYVTS SNTTAGGVAT DATA SEQUENCE GSGLGPRYVD YVLGILKAYS TRVGAGPFPT ELFDETGEFL CKQGNEFGAT DATA SEQUENCE TGRRRRTGWL DTVAVRRAVQ LNSLSGFCLT KLDVLDGLKE VKLCVAYRMP DATA SEQUENCE DGREVTTTPL AADDWKGVEP IYETMPGWSE STFGVKDRSG LPQAALNYIK DATA SEQUENCE RIEELTGVPI DIISTGPDRT ETMILRDPFD A 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 G HA2 0.000 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 1 G C 0.000 174.857 174.900 -0.072 0.000 0.946 1 G CA 0.000 45.095 45.100 -0.009 0.000 0.502 2 N N -0.277 118.406 118.700 -0.028 0.000 2.354 2 N HA -0.010 4.730 4.740 -0.000 0.000 0.179 2 N C 0.338 175.937 175.510 0.149 0.000 1.021 2 N CA 0.615 53.636 53.050 -0.049 0.000 0.887 2 N CB 0.050 38.605 38.487 0.113 0.000 0.974 2 N HN 0.527 nan 8.380 nan 0.000 0.437 3 N N 0.486 119.288 118.700 0.170 0.000 2.501 3 N HA 0.322 5.062 4.740 -0.000 0.000 0.245 3 N C -1.336 174.291 175.510 0.194 0.000 0.974 3 N CA -0.299 52.910 53.050 0.264 0.000 0.941 3 N CB 2.041 40.715 38.487 0.311 0.000 1.122 3 N HN -0.223 nan 8.380 nan 0.000 0.507 4 V N 2.768 122.767 119.914 0.142 0.000 2.417 4 V HA 0.359 4.479 4.120 -0.000 0.000 0.291 4 V C 0.076 176.255 176.094 0.141 0.000 1.024 4 V CA -0.774 61.522 62.300 -0.007 0.000 0.861 4 V CB 1.797 33.325 31.823 -0.492 0.000 0.985 4 V HN 0.265 nan 8.190 nan 0.000 0.436 5 V N 5.529 125.532 119.914 0.149 0.000 2.427 5 V HA 0.472 4.592 4.120 -0.000 0.000 0.286 5 V C -0.150 176.025 176.094 0.134 0.000 1.034 5 V CA -0.538 61.866 62.300 0.173 0.000 0.893 5 V CB 1.878 33.727 31.823 0.043 0.000 0.982 5 V HN 0.600 nan 8.190 nan 0.000 0.452 6 V N 6.774 126.786 119.914 0.164 0.000 2.378 6 V HA 0.572 4.692 4.120 -0.000 0.000 0.288 6 V C -0.260 175.916 176.094 0.137 0.000 1.016 6 V CA -0.367 61.998 62.300 0.109 0.000 0.840 6 V CB 1.342 33.203 31.823 0.064 0.000 0.994 6 V HN 0.756 nan 8.190 nan 0.000 0.431 7 L N 2.774 124.060 121.223 0.105 0.000 2.409 7 L HA 0.977 5.317 4.340 -0.000 0.000 0.255 7 L C 0.039 176.945 176.870 0.060 0.000 1.027 7 L CA -0.736 54.168 54.840 0.106 0.000 0.834 7 L CB 2.375 44.527 42.059 0.154 0.000 1.426 7 L HN 0.629 nan 8.230 nan 0.000 0.411 8 G N -0.166 108.661 108.800 0.044 0.000 2.349 8 G HA2 0.375 4.335 3.960 -0.000 0.000 0.281 8 G HA3 0.375 4.335 3.960 -0.000 0.000 0.281 8 G C 0.859 175.760 174.900 0.001 0.000 1.182 8 G CA 0.306 45.418 45.100 0.020 0.000 0.899 8 G HN 0.924 nan 8.290 nan 0.000 0.455 9 T N -0.283 114.274 114.554 0.006 0.000 3.113 9 T HA 0.098 4.448 4.350 -0.000 0.000 0.256 9 T C 1.173 175.791 174.700 -0.138 0.000 1.131 9 T CA 0.786 62.880 62.100 -0.012 0.000 1.074 9 T CB 0.098 69.029 68.868 0.104 0.000 0.944 9 T HN 0.517 nan 8.240 nan 0.000 0.516 10 Q N -0.733 118.960 119.800 -0.178 0.000 3.079 10 Q HA 0.378 4.718 4.340 -0.000 0.000 0.210 10 Q C 0.179 175.901 176.000 -0.463 0.000 1.169 10 Q CA -0.712 54.855 55.803 -0.393 0.000 0.315 10 Q CB 0.688 29.318 28.738 -0.179 0.000 5.815 10 Q HN 0.413 nan 8.270 nan 0.000 0.311 11 W N 1.218 122.454 121.300 -0.106 0.000 2.570 11 W HA 0.482 5.142 4.660 -0.000 0.000 0.410 11 W C 0.033 176.504 176.519 -0.080 0.000 0.889 11 W CA 0.482 57.755 57.345 -0.121 0.000 2.386 11 W CB 0.544 29.867 29.460 -0.229 0.000 1.228 11 W HN 0.755 nan 8.180 nan 0.000 0.692 12 G N 1.593 110.454 108.800 0.101 0.000 2.756 12 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.678 12 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.678 12 G C 0.011 174.951 174.900 0.067 0.000 1.349 12 G CA -0.384 44.767 45.100 0.085 0.000 0.847 12 G HN 0.159 nan 8.290 nan 0.000 0.548 13 D N -0.884 119.560 120.400 0.072 0.000 2.751 13 D HA -0.152 4.488 4.640 -0.000 0.000 0.233 13 D C 1.177 177.483 176.300 0.010 0.000 1.149 13 D CA 1.714 55.748 54.000 0.056 0.000 0.682 13 D CB -0.800 40.034 40.800 0.057 0.000 1.068 13 D HN 0.754 nan 8.370 nan 0.000 0.429 14 E N -0.294 119.902 120.200 -0.006 0.000 2.371 14 E HA 0.283 4.633 4.350 -0.000 0.000 0.194 14 E C 1.711 178.293 176.600 -0.030 0.000 1.012 14 E CA 0.873 57.253 56.400 -0.034 0.000 0.860 14 E CB 0.299 29.984 29.700 -0.025 0.000 0.811 14 E HN 0.474 nan 8.360 nan 0.000 0.502 15 G N 0.731 109.513 108.800 -0.030 0.000 2.189 15 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.113 15 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.113 15 G C 0.606 175.463 174.900 -0.072 0.000 1.038 15 G CA 0.067 45.148 45.100 -0.031 0.000 0.704 15 G HN 0.114 nan 8.290 nan 0.000 0.490 16 K N 0.074 120.386 120.400 -0.147 0.000 2.026 16 K HA -0.030 4.290 4.320 -0.000 0.000 0.208 16 K C 2.781 179.238 176.600 -0.237 0.000 1.048 16 K CA 1.467 57.625 56.287 -0.215 0.000 0.929 16 K CB -0.266 32.024 32.500 -0.350 0.000 0.713 16 K HN 0.412 nan 8.250 nan 0.000 0.439 17 G N 2.357 110.966 108.800 -0.319 0.000 2.476 17 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.218 17 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.218 17 G C 1.460 176.337 174.900 -0.039 0.000 1.164 17 G CA 1.373 46.395 45.100 -0.130 0.000 0.768 17 G HN 0.315 nan 8.290 nan 0.000 0.560 18 K N 0.032 120.415 120.400 -0.028 0.000 1.985 18 K HA -0.077 4.243 4.320 -0.000 0.000 0.210 18 K C 2.412 179.008 176.600 -0.007 0.000 1.047 18 K CA 1.444 57.727 56.287 -0.006 0.000 0.932 18 K CB -0.273 32.227 32.500 -0.000 0.000 0.716 18 K HN 0.196 nan 8.250 nan 0.000 0.439 19 I N 1.609 122.169 120.570 -0.017 0.000 2.335 19 I HA -0.200 3.970 4.170 -0.000 0.000 0.251 19 I C 2.399 178.513 176.117 -0.004 0.000 1.129 19 I CA 0.902 62.196 61.300 -0.010 0.000 1.402 19 I CB -0.995 36.998 38.000 -0.011 0.000 1.069 19 I HN 0.092 nan 8.210 nan 0.000 0.424 20 V N 1.079 120.989 119.914 -0.007 0.000 2.323 20 V HA -0.258 3.862 4.120 -0.000 0.000 0.244 20 V C 2.457 178.574 176.094 0.038 0.000 1.041 20 V CA 2.108 64.419 62.300 0.018 0.000 1.025 20 V CB -0.638 31.197 31.823 0.019 0.000 0.656 20 V HN 0.452 nan 8.190 nan 0.000 0.451 21 D N -0.023 120.394 120.400 0.029 0.000 2.149 21 D HA -0.198 4.442 4.640 -0.000 0.000 0.198 21 D C 2.159 178.482 176.300 0.037 0.000 0.990 21 D CA 1.555 55.576 54.000 0.035 0.000 0.839 21 D CB 0.182 40.998 40.800 0.027 0.000 0.948 21 D HN 0.361 nan 8.370 nan 0.000 0.460 22 L N 0.768 122.008 121.223 0.029 0.000 2.005 22 L HA -0.094 4.246 4.340 -0.000 0.000 0.207 22 L C 2.353 179.255 176.870 0.053 0.000 1.072 22 L CA 1.451 56.309 54.840 0.030 0.000 0.744 22 L CB -0.587 41.481 42.059 0.015 0.000 0.895 22 L HN 0.056 nan 8.230 nan 0.000 0.433 23 L N -0.622 120.636 121.223 0.059 0.000 2.395 23 L HA -0.054 4.286 4.340 -0.000 0.000 0.218 23 L C 2.059 179.076 176.870 0.245 0.000 1.130 23 L CA 1.052 55.959 54.840 0.111 0.000 0.826 23 L CB -1.016 41.049 42.059 0.009 0.000 0.941 23 L HN 0.472 nan 8.230 nan 0.000 0.451 24 T N -3.824 110.838 114.554 0.179 0.000 3.160 24 T HA -0.136 4.214 4.350 -0.000 0.000 0.257 24 T C 1.464 176.232 174.700 0.114 0.000 1.147 24 T CA 0.521 62.736 62.100 0.190 0.000 1.064 24 T CB -0.123 68.817 68.868 0.120 0.000 0.949 24 T HN 0.389 nan 8.240 nan 0.000 0.526 25 E N 1.612 121.872 120.200 0.099 0.000 2.171 25 E HA -0.203 4.147 4.350 -0.000 0.000 0.197 25 E C 2.016 178.621 176.600 0.008 0.000 0.997 25 E CA 0.960 57.386 56.400 0.043 0.000 0.810 25 E CB 0.008 29.735 29.700 0.045 0.000 0.738 25 E HN 0.577 nan 8.360 nan 0.000 0.467 26 R N -0.357 120.166 120.500 0.038 0.000 2.362 26 R HA 0.303 4.643 4.340 -0.000 0.000 0.227 26 R C 0.229 176.406 176.300 -0.206 0.000 0.905 26 R CA 0.102 56.151 56.100 -0.084 0.000 1.067 26 R CB 0.868 31.175 30.300 0.011 0.000 1.078 26 R HN -0.006 nan 8.270 nan 0.000 0.516 27 A N 1.164 123.933 122.820 -0.085 0.000 2.322 27 A HA 0.198 4.518 4.320 -0.000 0.000 0.269 27 A C 0.745 178.255 177.584 -0.123 0.000 1.094 27 A CA -0.282 51.715 52.037 -0.066 0.000 0.807 27 A CB 0.775 19.868 19.000 0.154 0.000 1.047 27 A HN -0.074 nan 8.150 nan 0.000 0.487 28 K N -0.186 120.126 120.400 -0.147 0.000 2.244 28 K HA 0.140 4.460 4.320 -0.000 0.000 0.200 28 K C -0.884 175.384 176.600 -0.553 0.000 1.052 28 K CA 1.175 57.237 56.287 -0.376 0.000 0.980 28 K CB -0.004 32.256 32.500 -0.400 0.000 0.838 28 K HN 0.708 nan 8.250 nan 0.000 0.481 29 Y N -0.993 119.299 120.300 -0.014 0.000 2.512 29 Y HA 0.420 4.970 4.550 -0.000 0.000 0.348 29 Y C -0.547 175.327 175.900 -0.044 0.000 0.990 29 Y CA -1.111 56.968 58.100 -0.035 0.000 1.033 29 Y CB 2.145 40.566 38.460 -0.066 0.000 1.259 29 Y HN -0.435 nan 8.280 nan 0.000 0.461 30 V N 3.085 123.074 119.914 0.126 0.000 2.588 30 V HA 0.667 4.787 4.120 -0.000 0.000 0.304 30 V C -1.116 174.994 176.094 0.027 0.000 1.042 30 V CA -0.848 61.486 62.300 0.056 0.000 0.877 30 V CB 1.960 33.830 31.823 0.077 0.000 0.996 30 V HN 0.535 nan 8.190 nan 0.000 0.425 31 V N 4.899 124.795 119.914 -0.031 0.000 2.525 31 V HA 0.557 4.677 4.120 -0.000 0.000 0.299 31 V C -0.189 176.052 176.094 0.246 0.000 1.034 31 V CA -0.894 61.436 62.300 0.049 0.000 0.863 31 V CB 2.030 33.786 31.823 -0.112 0.000 0.999 31 V HN 0.717 nan 8.190 nan 0.000 0.423 32 R N 3.009 123.627 120.500 0.198 0.000 2.357 32 R HA 0.349 4.689 4.340 -0.000 0.000 0.296 32 R C -0.067 176.364 176.300 0.218 0.000 1.052 32 R CA -0.175 56.010 56.100 0.142 0.000 0.988 32 R CB 1.097 31.443 30.300 0.077 0.000 1.025 32 R HN 0.925 nan 8.270 nan 0.000 0.469 33 Y N -0.793 119.630 120.300 0.205 0.000 2.527 33 Y HA 0.270 4.820 4.550 -0.000 0.000 0.247 33 Y C -0.387 175.609 175.900 0.160 0.000 1.138 33 Y CA -0.657 57.556 58.100 0.188 0.000 1.228 33 Y CB 0.611 39.190 38.460 0.199 0.000 1.252 33 Y HN 0.413 nan 8.280 nan 0.000 0.531 34 Q N -0.237 119.504 119.800 -0.098 0.000 2.687 34 Q HA 0.669 5.009 4.340 -0.000 0.000 0.295 34 Q C -0.040 175.989 176.000 0.050 0.000 0.920 34 Q CA -0.858 54.979 55.803 0.057 0.000 0.766 34 Q CB 1.188 29.959 28.738 0.055 0.000 1.467 34 Q HN 0.743 nan 8.270 nan 0.000 0.415 35 G N -0.993 107.932 108.800 0.208 0.000 2.693 35 G HA2 0.328 4.288 3.960 -0.000 0.000 0.226 35 G HA3 0.328 4.288 3.960 -0.000 0.000 0.226 35 G C 0.032 175.012 174.900 0.135 0.000 1.354 35 G CA 0.214 45.421 45.100 0.178 0.000 0.873 35 G HN 1.599 nan 8.290 nan 0.000 0.562 36 G N -2.864 105.988 108.800 0.088 0.000 3.198 36 G HA2 0.623 4.583 3.960 -0.000 0.000 0.166 36 G HA3 0.623 4.583 3.960 -0.000 0.000 0.166 36 G C 0.654 175.629 174.900 0.125 0.000 1.134 36 G CA 0.853 46.015 45.100 0.104 0.000 0.941 36 G HN 1.775 nan 8.290 nan 0.000 0.639 37 H N 1.198 120.259 119.070 -0.015 0.000 2.555 37 H HA 0.092 4.648 4.556 0.000 0.000 0.283 37 H C 1.268 176.584 175.328 -0.019 0.000 1.037 37 H CA 0.683 56.728 56.048 -0.005 0.000 1.169 37 H CB -0.499 29.244 29.762 -0.031 0.000 1.375 37 H HN 0.390 nan 8.280 nan 0.000 0.582 38 N N 1.403 119.996 118.700 -0.178 0.000 2.331 38 N HA -0.025 4.715 4.740 -0.000 0.000 0.180 38 N C 0.824 176.314 175.510 -0.034 0.000 1.019 38 N CA 0.626 53.584 53.050 -0.153 0.000 0.881 38 N CB -0.347 38.075 38.487 -0.109 0.000 0.972 38 N HN 0.359 nan 8.380 nan 0.000 0.435 39 A N -0.072 122.731 122.820 -0.028 0.000 2.366 39 A HA 0.603 4.923 4.320 -0.000 0.000 0.249 39 A C 0.539 178.092 177.584 -0.052 0.000 1.084 39 A CA 0.147 52.125 52.037 -0.099 0.000 0.794 39 A CB 0.029 18.848 19.000 -0.301 0.000 1.034 39 A HN 0.403 nan 8.150 nan 0.000 0.491 40 G N 1.253 109.989 108.800 -0.106 0.000 2.845 40 G HA2 0.529 4.489 3.960 -0.000 0.000 0.282 40 G HA3 0.529 4.489 3.960 -0.000 0.000 0.282 40 G C -1.192 173.742 174.900 0.057 0.000 1.546 40 G CA -0.441 44.633 45.100 -0.043 0.000 1.089 40 G HN 0.692 nan 8.290 nan 0.000 0.558 41 H N 1.352 120.368 119.070 -0.091 0.000 2.541 41 H HA 0.479 5.035 4.556 -0.000 0.000 0.316 41 H C -0.143 175.148 175.328 -0.061 0.000 1.043 41 H CA -0.614 55.404 56.048 -0.049 0.000 1.232 41 H CB 1.506 31.249 29.762 -0.032 0.000 1.406 41 H HN 0.270 nan 8.280 nan 0.000 0.469 42 T N 5.211 119.822 114.554 0.097 0.000 2.744 42 T HA 0.360 4.710 4.350 -0.000 0.000 0.291 42 T C 0.243 174.969 174.700 0.043 0.000 0.957 42 T CA -0.663 61.467 62.100 0.051 0.000 1.002 42 T CB 0.442 69.344 68.868 0.056 0.000 0.919 42 T HN 0.115 nan 8.240 nan 0.000 0.468 43 L N 3.788 125.030 121.223 0.033 0.000 2.334 43 L HA 0.674 5.014 4.340 -0.000 0.000 0.276 43 L C -0.349 176.538 176.870 0.028 0.000 1.014 43 L CA -0.710 54.147 54.840 0.028 0.000 0.815 43 L CB 1.941 44.016 42.059 0.026 0.000 1.268 43 L HN 0.389 nan 8.230 nan 0.000 0.428 44 V N 4.472 124.403 119.914 0.028 0.000 2.447 44 V HA 0.485 4.605 4.120 -0.000 0.000 0.292 44 V C -0.764 175.345 176.094 0.025 0.000 1.021 44 V CA -0.359 61.960 62.300 0.031 0.000 0.850 44 V CB 1.741 33.590 31.823 0.042 0.000 1.005 44 V HN 0.446 nan 8.190 nan 0.000 0.426 45 I N 3.714 124.298 120.570 0.024 0.000 2.382 45 I HA 0.420 4.590 4.170 -0.000 0.000 0.286 45 I C 0.794 176.924 176.117 0.022 0.000 1.002 45 I CA -0.088 61.223 61.300 0.020 0.000 1.135 45 I CB 1.162 39.172 38.000 0.016 0.000 1.288 45 I HN 0.786 nan 8.210 nan 0.000 0.448 46 N N 5.008 123.721 118.700 0.023 0.000 2.716 46 N HA -0.262 4.478 4.740 -0.000 0.000 0.250 46 N C 1.103 176.632 175.510 0.031 0.000 1.033 46 N CA 0.588 53.653 53.050 0.026 0.000 0.727 46 N CB -0.442 38.057 38.487 0.020 0.000 0.950 46 N HN 1.202 nan 8.380 nan 0.000 0.541 47 G N -0.310 108.513 108.800 0.039 0.000 2.234 47 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.260 47 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.260 47 G C -0.201 174.721 174.900 0.037 0.000 0.987 47 G CA 0.642 45.769 45.100 0.045 0.000 0.625 47 G HN 0.690 nan 8.290 nan 0.000 0.532 48 E N 0.796 121.014 120.200 0.029 0.000 2.229 48 E HA 0.507 4.857 4.350 -0.000 0.000 0.283 48 E C 0.256 176.872 176.600 0.026 0.000 1.030 48 E CA -0.596 55.819 56.400 0.025 0.000 0.836 48 E CB 0.413 30.125 29.700 0.020 0.000 1.068 48 E HN 0.330 nan 8.360 nan 0.000 0.401 49 K N 2.533 122.949 120.400 0.026 0.000 2.143 49 K HA 0.305 4.625 4.320 -0.000 0.000 0.272 49 K C -1.309 175.303 176.600 0.020 0.000 1.001 49 K CA -0.235 56.068 56.287 0.027 0.000 0.915 49 K CB 1.539 34.058 32.500 0.031 0.000 1.047 49 K HN 0.367 nan 8.250 nan 0.000 0.458 50 T N 2.598 117.162 114.554 0.017 0.000 2.991 50 T HA 0.312 4.662 4.350 -0.000 0.000 0.303 50 T C -1.519 173.175 174.700 -0.010 0.000 1.015 50 T CA -0.693 61.411 62.100 0.007 0.000 1.007 50 T CB 1.439 70.312 68.868 0.008 0.000 1.034 50 T HN 0.285 nan 8.240 nan 0.000 0.446 51 V N 5.103 124.994 119.914 -0.038 0.000 2.357 51 V HA 0.502 4.622 4.120 -0.000 0.000 0.284 51 V C -0.208 175.731 176.094 -0.258 0.000 1.018 51 V CA -0.710 61.516 62.300 -0.124 0.000 0.841 51 V CB 1.048 32.810 31.823 -0.101 0.000 0.991 51 V HN 0.707 nan 8.190 nan 0.000 0.437 52 L N 4.375 125.432 121.223 -0.276 0.000 2.352 52 L HA 0.653 4.993 4.340 -0.000 0.000 0.269 52 L C 0.782 177.324 176.870 -0.547 0.000 1.034 52 L CA -0.609 54.071 54.840 -0.266 0.000 0.806 52 L CB 1.387 43.403 42.059 -0.072 0.000 1.244 52 L HN 0.660 nan 8.230 nan 0.000 0.447 53 H N 0.631 119.674 119.070 -0.045 0.000 2.010 53 H HA 0.122 4.678 4.556 -0.000 0.000 0.175 53 H C 1.119 176.409 175.328 -0.063 0.000 0.966 53 H CA 0.296 56.298 56.048 -0.076 0.000 1.080 53 H CB 0.572 30.344 29.762 0.017 0.000 1.072 53 H HN 0.440 nan 8.280 nan 0.000 0.373 54 L N 1.436 122.739 121.223 0.134 0.000 2.253 54 L HA 0.321 4.661 4.340 -0.000 0.000 0.205 54 L C 0.571 177.468 176.870 0.045 0.000 1.078 54 L CA 0.857 55.743 54.840 0.076 0.000 0.805 54 L CB -0.068 42.024 42.059 0.055 0.000 0.963 54 L HN 0.035 nan 8.230 nan 0.000 0.459 55 I N 2.360 122.954 120.570 0.040 0.000 2.533 55 I HA 0.132 4.302 4.170 -0.000 0.000 0.284 55 I C -1.841 174.304 176.117 0.048 0.000 1.109 55 I CA -1.701 59.622 61.300 0.038 0.000 1.412 55 I CB 0.326 38.344 38.000 0.029 0.000 1.396 55 I HN 0.080 nan 8.210 nan 0.000 0.543 56 P HA -0.007 nan 4.420 nan 0.000 0.268 56 P C 0.108 177.459 177.300 0.084 0.000 1.208 56 P CA 0.139 63.292 63.100 0.088 0.000 0.777 56 P CB 0.488 32.239 31.700 0.084 0.000 0.875 57 S N 1.033 116.796 115.700 0.104 0.000 2.786 57 S HA 0.058 4.528 4.470 -0.000 0.000 0.223 57 S C 1.589 176.225 174.600 0.060 0.000 0.956 57 S CA 0.646 58.895 58.200 0.082 0.000 0.961 57 S CB -0.723 62.528 63.200 0.085 0.000 0.784 57 S HN 0.714 nan 8.310 nan 0.000 0.519 58 G N 0.382 109.217 108.800 0.059 0.000 3.159 58 G HA2 0.114 4.074 3.960 -0.000 0.000 0.232 58 G HA3 0.114 4.074 3.960 -0.000 0.000 0.232 58 G C 0.953 175.874 174.900 0.034 0.000 1.116 58 G CA -0.284 44.844 45.100 0.048 0.000 0.767 58 G HN 0.457 nan 8.290 nan 0.000 0.547 59 I N 0.415 121.006 120.570 0.035 0.000 2.567 59 I HA -0.023 4.147 4.170 -0.000 0.000 0.257 59 I C 1.954 178.081 176.117 0.017 0.000 1.184 59 I CA 0.760 62.075 61.300 0.026 0.000 1.451 59 I CB 0.196 38.213 38.000 0.027 0.000 1.089 59 I HN 0.059 nan 8.210 nan 0.000 0.441 60 L N 0.485 121.719 121.223 0.018 0.000 2.554 60 L HA 0.089 4.429 4.340 -0.000 0.000 0.226 60 L C 0.859 177.733 176.870 0.007 0.000 1.137 60 L CA 0.744 55.591 54.840 0.012 0.000 0.863 60 L CB -0.667 41.401 42.059 0.015 0.000 0.985 60 L HN 0.088 nan 8.230 nan 0.000 0.451 61 R N -0.164 120.339 120.500 0.005 0.000 2.338 61 R HA 0.199 4.539 4.340 -0.000 0.000 0.317 61 R C 0.885 177.176 176.300 -0.015 0.000 0.968 61 R CA -0.254 55.843 56.100 -0.005 0.000 0.849 61 R CB 1.150 31.448 30.300 -0.002 0.000 1.128 61 R HN 0.010 nan 8.270 nan 0.000 0.448 62 E N 2.796 122.983 120.200 -0.022 0.000 2.285 62 E HA -0.177 4.173 4.350 -0.000 0.000 0.194 62 E C 0.937 177.509 176.600 -0.047 0.000 0.997 62 E CA 1.265 57.648 56.400 -0.028 0.000 0.845 62 E CB -0.002 29.683 29.700 -0.025 0.000 0.782 62 E HN 0.625 nan 8.360 nan 0.000 0.491 63 N N 1.050 119.715 118.700 -0.058 0.000 2.515 63 N HA -0.039 4.701 4.740 -0.000 0.000 0.185 63 N C -0.152 175.287 175.510 -0.119 0.000 1.109 63 N CA 0.326 53.323 53.050 -0.089 0.000 0.903 63 N CB 0.126 38.558 38.487 -0.092 0.000 0.969 63 N HN 0.081 nan 8.380 nan 0.000 0.450 64 V N 1.115 120.976 119.914 -0.088 0.000 2.472 64 V HA 0.247 4.367 4.120 -0.000 0.000 0.290 64 V C 0.074 176.122 176.094 -0.077 0.000 1.037 64 V CA -0.553 61.689 62.300 -0.098 0.000 0.908 64 V CB 1.643 33.444 31.823 -0.036 0.000 0.985 64 V HN 0.051 nan 8.190 nan 0.000 0.454 65 T N 3.470 117.961 114.554 -0.105 0.000 2.781 65 T HA 0.266 4.616 4.350 -0.000 0.000 0.305 65 T C 0.230 174.999 174.700 0.115 0.000 1.001 65 T CA -0.104 62.004 62.100 0.012 0.000 0.950 65 T CB 0.669 69.570 68.868 0.054 0.000 0.955 65 T HN 0.673 nan 8.240 nan 0.000 0.471 66 S N 3.575 119.325 115.700 0.083 0.000 2.565 66 S HA 0.510 4.980 4.470 -0.000 0.000 0.276 66 S C 0.078 174.738 174.600 0.100 0.000 1.326 66 S CA -0.516 57.736 58.200 0.088 0.000 1.045 66 S CB 0.275 63.512 63.200 0.062 0.000 0.918 66 S HN 0.537 nan 8.310 nan 0.000 0.505 67 I N 2.779 123.406 120.570 0.095 0.000 2.534 67 I HA 0.371 4.541 4.170 -0.000 0.000 0.288 67 I C -0.915 175.254 176.117 0.087 0.000 1.077 67 I CA -0.395 60.955 61.300 0.084 0.000 1.051 67 I CB 1.737 39.775 38.000 0.064 0.000 1.234 67 I HN 0.460 nan 8.210 nan 0.000 0.425 68 I N 5.416 126.035 120.570 0.081 0.000 2.291 68 I HA 0.294 4.464 4.170 -0.000 0.000 0.290 68 I C 1.010 177.186 176.117 0.099 0.000 1.050 68 I CA -0.107 61.245 61.300 0.086 0.000 1.245 68 I CB 1.009 39.047 38.000 0.064 0.000 1.405 68 I HN 0.657 nan 8.210 nan 0.000 0.478 69 G N 4.640 113.522 108.800 0.137 0.000 2.634 69 G HA2 -0.018 3.942 3.960 -0.000 0.000 0.255 69 G HA3 -0.018 3.942 3.960 -0.000 0.000 0.255 69 G C 1.090 176.073 174.900 0.138 0.000 1.205 69 G CA -0.522 44.671 45.100 0.155 0.000 0.884 69 G HN 0.793 nan 8.290 nan 0.000 0.549 70 N N 0.104 118.882 118.700 0.129 0.000 2.272 70 N HA -0.137 4.603 4.740 -0.000 0.000 0.185 70 N C 1.917 177.508 175.510 0.135 0.000 1.014 70 N CA 1.425 54.543 53.050 0.113 0.000 0.870 70 N CB -0.365 38.182 38.487 0.101 0.000 0.975 70 N HN 0.523 nan 8.380 nan 0.000 0.433 71 G N 0.817 109.724 108.800 0.178 0.000 2.559 71 G HA2 0.028 3.988 3.960 -0.000 0.000 0.216 71 G HA3 0.028 3.988 3.960 -0.000 0.000 0.216 71 G C 0.587 175.626 174.900 0.233 0.000 1.126 71 G CA 0.011 45.246 45.100 0.225 0.000 0.778 71 G HN 0.209 nan 8.290 nan 0.000 0.543 72 V N 1.377 121.381 119.914 0.152 0.000 2.583 72 V HA 0.281 4.401 4.120 -0.000 0.000 0.287 72 V C 0.453 176.543 176.094 -0.007 0.000 1.051 72 V CA -0.833 61.525 62.300 0.097 0.000 1.010 72 V CB 1.553 33.423 31.823 0.078 0.000 0.988 72 V HN 0.191 nan 8.190 nan 0.000 0.478 73 V N 4.672 124.521 119.914 -0.108 0.000 2.385 73 V HA 0.558 4.678 4.120 -0.000 0.000 0.269 73 V C -0.441 175.604 176.094 -0.082 0.000 1.043 73 V CA -0.644 61.514 62.300 -0.236 0.000 0.906 73 V CB 1.043 32.558 31.823 -0.513 0.000 0.995 73 V HN 0.632 nan 8.190 nan 0.000 0.467 74 L N 4.667 125.854 121.223 -0.059 0.000 2.280 74 L HA 0.655 4.995 4.340 -0.000 0.000 0.287 74 L C 0.294 177.132 176.870 -0.054 0.000 1.023 74 L CA -0.008 54.811 54.840 -0.034 0.000 0.819 74 L CB 1.391 43.441 42.059 -0.015 0.000 1.212 74 L HN 0.830 nan 8.230 nan 0.000 0.420 75 S N 6.633 122.266 115.700 -0.110 0.000 2.399 75 S HA 0.459 4.929 4.470 -0.000 0.000 0.301 75 S C -1.675 172.829 174.600 -0.161 0.000 1.093 75 S CA -1.140 56.959 58.200 -0.168 0.000 1.077 75 S CB 0.759 63.718 63.200 -0.403 0.000 0.980 75 S HN 0.668 nan 8.310 nan 0.000 0.494 76 P HA -0.125 nan 4.420 nan 0.000 0.216 76 P C 1.366 178.605 177.300 -0.101 0.000 1.150 76 P CA 1.506 64.553 63.100 -0.088 0.000 0.843 76 P CB 0.095 31.754 31.700 -0.068 0.000 0.787 77 A N 0.049 122.801 122.820 -0.114 0.000 1.845 77 A HA -0.128 4.192 4.320 -0.000 0.000 0.215 77 A C 2.360 179.862 177.584 -0.138 0.000 1.195 77 A CA 2.249 54.221 52.037 -0.109 0.000 0.616 77 A CB -1.681 17.260 19.000 -0.098 0.000 0.832 77 A HN 0.184 nan 8.150 nan 0.000 0.443 78 A N -0.550 122.125 122.820 -0.242 0.000 1.917 78 A HA -0.114 4.206 4.320 -0.000 0.000 0.219 78 A C 2.171 179.669 177.584 -0.142 0.000 1.182 78 A CA 1.943 53.818 52.037 -0.271 0.000 0.633 78 A CB -0.732 17.874 19.000 -0.657 0.000 0.819 78 A HN 0.770 nan 8.150 nan 0.000 0.448 79 L N -0.827 120.317 121.223 -0.131 0.000 1.989 79 L HA -0.181 4.159 4.340 -0.000 0.000 0.211 79 L C 2.393 179.235 176.870 -0.047 0.000 1.071 79 L CA 2.245 57.044 54.840 -0.068 0.000 0.749 79 L CB -0.503 41.519 42.059 -0.062 0.000 0.890 79 L HN 0.332 nan 8.230 nan 0.000 0.431 80 M N -0.502 119.065 119.600 -0.055 0.000 2.159 80 M HA -0.213 4.267 4.480 -0.000 0.000 0.263 80 M C 2.293 178.576 176.300 -0.029 0.000 1.063 80 M CA 1.644 56.919 55.300 -0.041 0.000 1.110 80 M CB -1.255 31.318 32.600 -0.046 0.000 1.374 80 M HN 0.357 nan 8.290 nan 0.000 0.411 81 K N 0.642 121.022 120.400 -0.035 0.000 2.026 81 K HA -0.176 4.144 4.320 -0.000 0.000 0.208 81 K C 1.803 178.404 176.600 0.002 0.000 1.048 81 K CA 1.562 57.838 56.287 -0.018 0.000 0.929 81 K CB 0.061 32.545 32.500 -0.026 0.000 0.713 81 K HN 0.371 nan 8.250 nan 0.000 0.439 82 E N 0.104 120.309 120.200 0.010 0.000 2.107 82 E HA -0.135 4.215 4.350 -0.000 0.000 0.191 82 E C 2.153 178.763 176.600 0.017 0.000 0.982 82 E CA 1.101 57.520 56.400 0.033 0.000 0.809 82 E CB -0.001 29.730 29.700 0.051 0.000 0.756 82 E HN 0.333 nan 8.360 nan 0.000 0.459 83 M N 0.657 120.259 119.600 0.004 0.000 2.065 83 M HA -0.225 4.255 4.480 -0.000 0.000 0.259 83 M C 2.374 178.674 176.300 0.001 0.000 1.069 83 M CA 1.452 56.753 55.300 0.000 0.000 1.110 83 M CB -0.195 32.400 32.600 -0.009 0.000 1.328 83 M HN -0.110 nan 8.290 nan 0.000 0.405 84 K N 0.758 121.157 120.400 -0.003 0.000 2.057 84 K HA -0.140 4.180 4.320 -0.000 0.000 0.207 84 K C 1.516 178.118 176.600 0.003 0.000 1.049 84 K CA 1.659 57.945 56.287 -0.002 0.000 0.931 84 K CB -0.196 32.300 32.500 -0.006 0.000 0.714 84 K HN 0.386 nan 8.250 nan 0.000 0.440 85 E N 0.014 120.219 120.200 0.009 0.000 2.077 85 E HA -0.163 4.187 4.350 -0.000 0.000 0.193 85 E C 2.010 178.618 176.600 0.013 0.000 0.989 85 E CA 1.409 57.818 56.400 0.014 0.000 0.800 85 E CB -0.140 29.575 29.700 0.025 0.000 0.746 85 E HN 0.262 nan 8.360 nan 0.000 0.452 86 L N 0.783 122.013 121.223 0.013 0.000 2.109 86 L HA -0.132 4.208 4.340 -0.000 0.000 0.207 86 L C 2.276 179.151 176.870 0.007 0.000 1.086 86 L CA 0.983 55.830 54.840 0.011 0.000 0.760 86 L CB -0.282 41.784 42.059 0.012 0.000 0.910 86 L HN 0.100 nan 8.230 nan 0.000 0.437 87 E N 0.084 120.287 120.200 0.005 0.000 2.110 87 E HA -0.213 4.137 4.350 -0.000 0.000 0.193 87 E C 1.403 178.004 176.600 0.002 0.000 0.988 87 E CA 1.078 57.480 56.400 0.002 0.000 0.804 87 E CB -0.043 29.657 29.700 -0.000 0.000 0.745 87 E HN 0.430 nan 8.360 nan 0.000 0.458 88 D N 0.255 120.657 120.400 0.003 0.000 2.348 88 D HA -0.064 4.576 4.640 -0.000 0.000 0.216 88 D C 1.054 177.357 176.300 0.004 0.000 0.970 88 D CA 0.702 54.704 54.000 0.002 0.000 0.889 88 D CB 0.040 40.842 40.800 0.003 0.000 0.912 88 D HN 0.085 nan 8.370 nan 0.000 0.524 89 R N -0.703 119.800 120.500 0.005 0.000 2.466 89 R HA 0.287 4.627 4.340 -0.000 0.000 0.279 89 R C 1.035 177.338 176.300 0.004 0.000 0.976 89 R CA 0.298 56.401 56.100 0.006 0.000 1.081 89 R CB 0.718 31.023 30.300 0.008 0.000 1.215 89 R HN 0.035 nan 8.270 nan 0.000 0.546 90 G N 1.273 110.074 108.800 0.003 0.000 2.157 90 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.248 90 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.248 90 G C -0.086 174.815 174.900 0.002 0.000 0.979 90 G CA -0.313 44.788 45.100 0.002 0.000 0.650 90 G HN 0.170 nan 8.290 nan 0.000 0.529 91 I N 2.618 123.190 120.570 0.003 0.000 2.306 91 I HA 0.342 4.512 4.170 -0.000 0.000 0.288 91 I C -1.637 174.482 176.117 0.003 0.000 1.036 91 I CA -2.920 58.382 61.300 0.004 0.000 1.221 91 I CB 1.459 39.463 38.000 0.006 0.000 1.385 91 I HN -0.098 nan 8.210 nan 0.000 0.472 92 P HA 0.068 nan 4.420 nan 0.000 0.230 92 P C 1.198 178.500 177.300 0.003 0.000 1.791 92 P CA 0.002 63.103 63.100 0.001 0.000 1.020 92 P CB 0.361 32.060 31.700 -0.001 0.000 1.977 93 V N 3.250 123.167 119.914 0.005 0.000 2.236 93 V HA -0.341 3.779 4.120 -0.000 0.000 0.255 93 V C 2.644 178.743 176.094 0.009 0.000 1.068 93 V CA 2.263 64.568 62.300 0.008 0.000 1.044 93 V CB -1.183 30.644 31.823 0.007 0.000 0.653 93 V HN 0.420 nan 8.190 nan 0.000 0.448 94 R N -0.079 120.424 120.500 0.005 0.000 2.170 94 R HA -0.212 4.128 4.340 -0.000 0.000 0.242 94 R C 2.051 178.357 176.300 0.009 0.000 1.145 94 R CA 1.740 57.843 56.100 0.005 0.000 0.984 94 R CB -0.383 29.916 30.300 -0.001 0.000 0.869 94 R HN 0.662 nan 8.270 nan 0.000 0.455 95 E N 0.348 120.552 120.200 0.007 0.000 2.385 95 E HA -0.057 4.293 4.350 -0.000 0.000 0.194 95 E C 1.250 177.856 176.600 0.010 0.000 1.013 95 E CA 0.443 56.848 56.400 0.007 0.000 0.866 95 E CB 0.348 30.049 29.700 0.002 0.000 0.832 95 E HN 0.438 nan 8.360 nan 0.000 0.500 96 R N -0.070 120.438 120.500 0.013 0.000 2.535 96 R HA 0.268 4.608 4.340 -0.000 0.000 0.323 96 R C -0.064 176.256 176.300 0.034 0.000 0.979 96 R CA -0.297 55.813 56.100 0.017 0.000 1.120 96 R CB 0.249 30.553 30.300 0.006 0.000 1.306 96 R HN -0.097 nan 8.270 nan 0.000 0.540 97 L N 1.623 122.867 121.223 0.035 0.000 2.322 97 L HA 0.564 4.904 4.340 -0.000 0.000 0.281 97 L C -1.306 175.594 176.870 0.050 0.000 1.014 97 L CA -0.882 53.985 54.840 0.045 0.000 0.815 97 L CB 1.720 43.799 42.059 0.034 0.000 1.247 97 L HN 0.056 nan 8.230 nan 0.000 0.421 98 L N 5.393 126.654 121.223 0.063 0.000 2.354 98 L HA 0.726 5.066 4.340 -0.000 0.000 0.264 98 L C -1.190 175.716 176.870 0.061 0.000 1.008 98 L CA -0.967 53.911 54.840 0.063 0.000 0.819 98 L CB 2.104 44.207 42.059 0.074 0.000 1.339 98 L HN 0.631 nan 8.230 nan 0.000 0.420 99 L N -1.054 120.205 121.223 0.060 0.000 2.409 99 L HA 0.708 5.048 4.340 -0.000 0.000 0.255 99 L C -0.374 176.538 176.870 0.070 0.000 1.027 99 L CA -0.569 54.308 54.840 0.062 0.000 0.834 99 L CB 1.826 43.916 42.059 0.053 0.000 1.426 99 L HN 0.407 nan 8.230 nan 0.000 0.411 100 S N -0.389 115.354 115.700 0.071 0.000 2.565 100 S HA 0.254 4.724 4.470 -0.000 0.000 0.274 100 S C 0.911 175.560 174.600 0.083 0.000 1.309 100 S CA 0.169 58.412 58.200 0.072 0.000 1.043 100 S CB 0.680 63.925 63.200 0.075 0.000 0.939 100 S HN 0.939 nan 8.310 nan 0.000 0.504 101 E N 3.652 123.902 120.200 0.082 0.000 2.347 101 E HA 0.012 4.362 4.350 -0.000 0.000 0.196 101 E C 1.370 178.023 176.600 0.088 0.000 1.008 101 E CA 0.845 57.310 56.400 0.107 0.000 0.852 101 E CB -0.172 29.562 29.700 0.057 0.000 0.783 101 E HN 0.620 nan 8.360 nan 0.000 0.505 102 A N 0.844 123.705 122.820 0.069 0.000 2.238 102 A HA 0.111 4.431 4.320 -0.000 0.000 0.208 102 A C 0.910 178.537 177.584 0.071 0.000 1.177 102 A CA -0.264 51.813 52.037 0.068 0.000 0.804 102 A CB -0.334 18.702 19.000 0.061 0.000 0.823 102 A HN 0.368 nan 8.150 nan 0.000 0.482 103 C N 1.647 120.989 119.300 0.069 0.000 2.634 103 C HA 0.307 4.767 4.460 -0.000 0.000 0.418 103 C C -2.118 172.896 174.990 0.039 0.000 1.373 103 C CA -0.700 58.349 59.018 0.051 0.000 1.756 103 C CB -0.013 27.755 27.740 0.046 0.000 2.589 103 C HN 0.372 nan 8.230 nan 0.000 0.602 104 P HA 0.301 nan 4.420 nan 0.000 0.275 104 P C -0.786 176.505 177.300 -0.014 0.000 1.228 104 P CA -0.048 63.046 63.100 -0.010 0.000 0.786 104 P CB 0.423 32.062 31.700 -0.102 0.000 0.927 105 L N 3.252 124.507 121.223 0.053 0.000 2.289 105 L HA 0.444 4.784 4.340 -0.000 0.000 0.285 105 L C 0.277 177.189 176.870 0.070 0.000 1.049 105 L CA -0.562 54.320 54.840 0.071 0.000 0.804 105 L CB 0.580 42.733 42.059 0.157 0.000 1.195 105 L HN 0.209 nan 8.230 nan 0.000 0.428 106 I N 4.641 125.222 120.570 0.019 0.000 2.315 106 I HA 0.385 4.555 4.170 -0.000 0.000 0.291 106 I C -0.216 175.953 176.117 0.086 0.000 1.006 106 I CA -0.232 61.108 61.300 0.066 0.000 1.265 106 I CB 1.150 39.160 38.000 0.016 0.000 1.387 106 I HN 0.427 nan 8.210 nan 0.000 0.475 107 L N 4.618 125.877 121.223 0.060 0.000 2.283 107 L HA 0.412 4.752 4.340 -0.000 0.000 0.259 107 L C 0.710 177.327 176.870 -0.423 0.000 1.027 107 L CA -0.670 53.993 54.840 -0.294 0.000 0.828 107 L CB 1.597 43.365 42.059 -0.486 0.000 1.380 107 L HN 0.415 nan 8.230 nan 0.000 0.425 108 D N -0.281 119.960 120.400 -0.265 0.000 2.157 108 D HA -0.281 4.359 4.640 -0.000 0.000 0.191 108 D C 1.727 177.939 176.300 -0.147 0.000 1.004 108 D CA 2.480 56.395 54.000 -0.142 0.000 0.854 108 D CB -0.140 40.639 40.800 -0.035 0.000 0.936 108 D HN 0.623 nan 8.370 nan 0.000 0.446 109 Y N -1.402 118.839 120.300 -0.099 0.000 2.403 109 Y HA -0.067 4.483 4.550 -0.000 0.000 0.291 109 Y C 1.959 177.754 175.900 -0.175 0.000 1.143 109 Y CA 1.182 59.203 58.100 -0.133 0.000 1.257 109 Y CB -1.281 37.100 38.460 -0.131 0.000 0.984 109 Y HN 0.231 nan 8.280 nan 0.000 0.550 110 H N -0.277 118.641 119.070 -0.254 0.000 2.389 110 H HA -0.078 4.478 4.556 -0.000 0.000 0.299 110 H C 2.169 177.446 175.328 -0.084 0.000 1.081 110 H CA 1.441 57.401 56.048 -0.148 0.000 1.345 110 H CB 0.030 29.671 29.762 -0.201 0.000 1.393 110 H HN 0.275 nan 8.280 nan 0.000 0.520 111 V N 0.824 120.757 119.914 0.032 0.000 2.307 111 V HA -0.263 3.857 4.120 -0.000 0.000 0.245 111 V C 2.624 178.714 176.094 -0.007 0.000 1.045 111 V CA 1.578 63.884 62.300 0.011 0.000 1.024 111 V CB -0.905 30.921 31.823 0.004 0.000 0.651 111 V HN 0.556 nan 8.190 nan 0.000 0.449 112 A N -0.050 122.769 122.820 -0.002 0.000 1.883 112 A HA -0.202 4.118 4.320 -0.000 0.000 0.217 112 A C 2.238 179.790 177.584 -0.053 0.000 1.186 112 A CA 2.046 54.075 52.037 -0.012 0.000 0.624 112 A CB -0.619 18.397 19.000 0.027 0.000 0.822 112 A HN 0.499 nan 8.150 nan 0.000 0.444 113 L N -0.698 120.508 121.223 -0.028 0.000 2.017 113 L HA -0.208 4.132 4.340 -0.000 0.000 0.208 113 L C 2.527 179.344 176.870 -0.088 0.000 1.073 113 L CA 1.654 56.457 54.840 -0.062 0.000 0.745 113 L CB -0.669 41.394 42.059 0.007 0.000 0.894 113 L HN 0.416 nan 8.230 nan 0.000 0.432 114 D N 0.377 120.757 120.400 -0.034 0.000 2.106 114 D HA -0.218 4.422 4.640 -0.000 0.000 0.191 114 D C 1.862 178.122 176.300 -0.068 0.000 0.997 114 D CA 1.494 55.474 54.000 -0.034 0.000 0.834 114 D CB -0.106 40.683 40.800 -0.018 0.000 0.956 114 D HN 0.236 nan 8.370 nan 0.000 0.448 115 N N 0.514 119.170 118.700 -0.074 0.000 2.104 115 N HA -0.145 4.595 4.740 -0.000 0.000 0.190 115 N C 1.784 177.213 175.510 -0.134 0.000 1.024 115 N CA 1.421 54.422 53.050 -0.081 0.000 0.853 115 N CB -0.563 37.886 38.487 -0.064 0.000 1.008 115 N HN 0.262 nan 8.380 nan 0.000 0.424 116 A N 1.982 124.657 122.820 -0.242 0.000 1.858 116 A HA -0.124 4.196 4.320 -0.000 0.000 0.216 116 A C 2.261 179.614 177.584 -0.385 0.000 1.190 116 A CA 1.247 53.008 52.037 -0.460 0.000 0.617 116 A CB -0.495 17.915 19.000 -0.984 0.000 0.827 116 A HN 0.254 nan 8.150 nan 0.000 0.443 117 R N -0.501 119.823 120.500 -0.293 0.000 2.091 117 R HA -0.132 4.208 4.340 -0.000 0.000 0.238 117 R C 2.024 178.315 176.300 -0.015 0.000 1.136 117 R CA 1.388 57.451 56.100 -0.062 0.000 0.959 117 R CB -0.397 29.904 30.300 0.000 0.000 0.856 117 R HN 0.495 nan 8.270 nan 0.000 0.437 118 E N 0.880 121.057 120.200 -0.040 0.000 2.153 118 E HA -0.181 4.169 4.350 -0.000 0.000 0.194 118 E C 1.821 178.419 176.600 -0.004 0.000 0.988 118 E CA 0.952 57.343 56.400 -0.014 0.000 0.811 118 E CB -0.033 29.655 29.700 -0.020 0.000 0.746 118 E HN 0.308 nan 8.360 nan 0.000 0.466 119 K N 0.679 121.065 120.400 -0.023 0.000 2.025 119 K HA -0.071 4.249 4.320 -0.000 0.000 0.207 119 K C 2.102 178.720 176.600 0.030 0.000 1.049 119 K CA 1.173 57.457 56.287 -0.005 0.000 0.933 119 K CB -0.100 32.384 32.500 -0.026 0.000 0.714 119 K HN 0.030 nan 8.250 nan 0.000 0.438 120 A N 1.527 124.385 122.820 0.063 0.000 2.024 120 A HA -0.163 4.157 4.320 -0.000 0.000 0.220 120 A C 1.954 179.590 177.584 0.087 0.000 1.164 120 A CA 1.386 53.494 52.037 0.119 0.000 0.643 120 A CB -0.446 18.707 19.000 0.255 0.000 0.806 120 A HN 0.357 nan 8.150 nan 0.000 0.451 121 R N -1.105 119.435 120.500 0.066 0.000 2.276 121 R HA 0.165 4.505 4.340 -0.000 0.000 0.203 121 R C 1.704 178.035 176.300 0.051 0.000 1.017 121 R CA 0.386 56.520 56.100 0.056 0.000 1.010 121 R CB -0.431 29.894 30.300 0.042 0.000 0.900 121 R HN 0.620 nan 8.270 nan 0.000 0.469 122 G N 1.017 109.842 108.800 0.042 0.000 2.651 122 G HA2 -0.472 3.488 3.960 -0.000 0.000 0.315 122 G HA3 -0.472 3.488 3.960 -0.000 0.000 0.315 122 G C 0.943 175.864 174.900 0.036 0.000 1.258 122 G CA 0.671 45.791 45.100 0.034 0.000 1.002 122 G HN 0.400 nan 8.290 nan 0.000 0.551 123 A N -0.609 122.231 122.820 0.034 0.000 2.125 123 A HA 0.160 4.480 4.320 -0.000 0.000 0.219 123 A C 1.965 179.579 177.584 0.050 0.000 1.156 123 A CA 2.389 54.445 52.037 0.032 0.000 0.671 123 A CB -0.236 18.778 19.000 0.024 0.000 0.794 123 A HN 0.575 nan 8.150 nan 0.000 0.459 124 K N 0.393 120.837 120.400 0.073 0.000 2.577 124 K HA 0.435 4.755 4.320 -0.000 0.000 0.210 124 K C 0.333 177.031 176.600 0.163 0.000 1.048 124 K CA 0.340 56.706 56.287 0.132 0.000 1.188 124 K CB 0.206 32.783 32.500 0.128 0.000 0.910 124 K HN 0.409 nan 8.250 nan 0.000 0.483 125 A N 0.574 123.460 122.820 0.110 0.000 2.531 125 A HA 0.036 4.356 4.320 -0.000 0.000 0.236 125 A C 1.192 178.878 177.584 0.170 0.000 1.062 125 A CA 0.015 52.109 52.037 0.094 0.000 0.760 125 A CB -0.042 18.989 19.000 0.052 0.000 0.995 125 A HN 0.390 nan 8.150 nan 0.000 0.501 126 I N 1.485 122.123 120.570 0.114 0.000 2.394 126 I HA -0.044 4.126 4.170 -0.000 0.000 0.251 126 I C 1.717 177.914 176.117 0.133 0.000 1.136 126 I CA 1.415 62.809 61.300 0.155 0.000 1.425 126 I CB -0.416 37.575 38.000 -0.016 0.000 1.079 126 I HN 1.005 nan 8.210 nan 0.000 0.425 127 G N 2.445 111.283 108.800 0.062 0.000 2.248 127 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.252 127 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.252 127 G C 0.348 175.258 174.900 0.016 0.000 1.085 127 G CA 0.231 45.350 45.100 0.031 0.000 0.845 127 G HN 0.461 nan 8.290 nan 0.000 0.494 128 T N -2.677 111.880 114.554 0.006 0.000 2.766 128 T HA 0.498 4.848 4.350 -0.000 0.000 0.295 128 T C 1.828 176.516 174.700 -0.021 0.000 1.024 128 T CA 0.996 63.091 62.100 -0.008 0.000 1.018 128 T CB 1.181 70.040 68.868 -0.016 0.000 1.002 128 T HN 1.290 nan 8.240 nan 0.000 0.532 129 T N -2.656 111.875 114.554 -0.038 0.000 3.194 129 T HA 0.293 4.643 4.350 -0.000 0.000 0.251 129 T C 1.605 176.260 174.700 -0.075 0.000 1.132 129 T CA 0.200 62.266 62.100 -0.057 0.000 1.028 129 T CB -1.158 67.660 68.868 -0.085 0.000 0.976 129 T HN 1.719 nan 8.240 nan 0.000 0.535 130 G N 2.186 110.950 108.800 -0.060 0.000 2.390 130 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.299 130 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.299 130 G C 0.801 175.654 174.900 -0.077 0.000 1.002 130 G CA 0.133 45.199 45.100 -0.056 0.000 0.979 130 G HN 0.489 nan 8.290 nan 0.000 0.513 131 R N -0.402 120.019 120.500 -0.131 0.000 2.397 131 R HA 0.311 4.651 4.340 -0.000 0.000 0.241 131 R C 1.865 178.110 176.300 -0.092 0.000 0.914 131 R CA 0.649 56.624 56.100 -0.208 0.000 1.071 131 R CB 0.193 30.121 30.300 -0.620 0.000 1.116 131 R HN 1.411 nan 8.270 nan 0.000 0.524 132 G N 1.581 110.354 108.800 -0.046 0.000 2.148 132 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.254 132 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.254 132 G C 0.960 175.830 174.900 -0.050 0.000 0.981 132 G CA 0.243 45.342 45.100 -0.002 0.000 0.670 132 G HN 0.199 nan 8.290 nan 0.000 0.528 133 I N 1.209 121.748 120.570 -0.053 0.000 2.099 133 I HA -0.111 4.059 4.170 -0.000 0.000 0.239 133 I C 3.050 179.207 176.117 0.065 0.000 1.066 133 I CA 2.260 63.551 61.300 -0.015 0.000 1.324 133 I CB -1.776 36.249 38.000 0.041 0.000 1.037 133 I HN 0.270 nan 8.210 nan 0.000 0.401 134 G N 2.064 110.916 108.800 0.086 0.000 2.514 134 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.217 134 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.217 134 G C -0.423 174.538 174.900 0.102 0.000 1.198 134 G CA 0.868 46.040 45.100 0.122 0.000 0.780 134 G HN 0.305 nan 8.290 nan 0.000 0.565 135 P HA -0.040 nan 4.420 nan 0.000 0.216 135 P C 2.167 179.440 177.300 -0.046 0.000 1.150 135 P CA 1.916 65.062 63.100 0.077 0.000 0.837 135 P CB -0.137 31.641 31.700 0.129 0.000 0.786 136 A N -1.629 120.985 122.820 -0.343 0.000 1.902 136 A HA -0.217 4.103 4.320 -0.000 0.000 0.217 136 A C 1.960 179.394 177.584 -0.250 0.000 1.181 136 A CA 1.437 53.117 52.037 -0.595 0.000 0.623 136 A CB -1.890 16.702 19.000 -0.680 0.000 0.818 136 A HN 0.132 nan 8.150 nan 0.000 0.443 137 Y N -0.161 120.099 120.300 -0.065 0.000 2.352 137 Y HA -0.092 4.458 4.550 0.000 0.000 0.292 137 Y C 2.409 178.329 175.900 0.034 0.000 1.136 137 Y CA 1.337 59.435 58.100 -0.002 0.000 1.227 137 Y CB -0.181 38.284 38.460 0.009 0.000 0.991 137 Y HN 0.480 nan 8.280 nan 0.000 0.545 138 E N -0.007 120.307 120.200 0.190 0.000 2.046 138 E HA -0.190 4.160 4.350 -0.000 0.000 0.190 138 E C 1.413 178.117 176.600 0.174 0.000 0.982 138 E CA 1.275 57.782 56.400 0.177 0.000 0.800 138 E CB 0.050 29.862 29.700 0.187 0.000 0.756 138 E HN 0.376 nan 8.360 nan 0.000 0.449 139 D N 0.422 120.940 120.400 0.197 0.000 2.178 139 D HA -0.168 4.472 4.640 -0.000 0.000 0.201 139 D C 1.740 178.121 176.300 0.136 0.000 0.980 139 D CA 0.836 54.966 54.000 0.216 0.000 0.842 139 D CB -0.138 40.873 40.800 0.351 0.000 0.948 139 D HN 0.149 nan 8.370 nan 0.000 0.472 140 K N 0.793 121.260 120.400 0.112 0.000 1.973 140 K HA -0.112 4.208 4.320 -0.000 0.000 0.212 140 K C 2.039 178.697 176.600 0.097 0.000 1.047 140 K CA 1.014 57.359 56.287 0.097 0.000 0.937 140 K CB -0.473 32.086 32.500 0.097 0.000 0.721 140 K HN -0.049 nan 8.250 nan 0.000 0.440 141 V N 1.251 121.233 119.914 0.115 0.000 2.594 141 V HA -0.165 3.955 4.120 -0.000 0.000 0.253 141 V C 2.172 178.305 176.094 0.064 0.000 1.069 141 V CA 2.027 64.381 62.300 0.089 0.000 1.082 141 V CB -0.408 31.471 31.823 0.092 0.000 0.680 141 V HN 0.526 nan 8.190 nan 0.000 0.469 142 A N -0.678 122.182 122.820 0.068 0.000 2.066 142 A HA -0.020 4.300 4.320 -0.000 0.000 0.218 142 A C 1.534 179.124 177.584 0.011 0.000 1.157 142 A CA 0.999 53.058 52.037 0.036 0.000 0.670 142 A CB -0.276 18.748 19.000 0.039 0.000 0.804 142 A HN 0.666 nan 8.150 nan 0.000 0.453 143 R N -2.504 118.014 120.500 0.029 0.000 3.762 143 R HA -0.181 4.159 4.340 -0.000 0.000 0.328 143 R C 0.898 177.197 176.300 -0.002 0.000 1.164 143 R CA 1.168 57.279 56.100 0.019 0.000 0.861 143 R CB -1.927 28.377 30.300 0.007 0.000 1.408 143 R HN 0.820 nan 8.270 nan 0.000 0.502 144 R N -0.959 119.539 120.500 -0.004 0.000 2.419 144 R HA 0.215 4.555 4.340 -0.000 0.000 0.235 144 R C 0.903 177.230 176.300 0.046 0.000 0.899 144 R CA 0.327 56.404 56.100 -0.039 0.000 1.048 144 R CB 0.540 30.741 30.300 -0.164 0.000 1.182 144 R HN 0.084 nan 8.270 nan 0.000 0.544 145 G N 1.681 110.546 108.800 0.108 0.000 2.614 145 G HA2 0.329 4.289 3.960 -0.000 0.000 0.239 145 G HA3 0.329 4.289 3.960 -0.000 0.000 0.239 145 G C -0.456 174.544 174.900 0.167 0.000 1.240 145 G CA -0.526 44.685 45.100 0.185 0.000 0.842 145 G HN 0.057 nan 8.290 nan 0.000 0.584 146 L N 0.539 121.899 121.223 0.227 0.000 2.343 146 L HA 0.592 4.932 4.340 -0.000 0.000 0.275 146 L C 0.731 177.727 176.870 0.209 0.000 1.056 146 L CA -0.657 54.327 54.840 0.240 0.000 0.804 146 L CB 1.390 43.650 42.059 0.334 0.000 1.203 146 L HN 0.496 nan 8.230 nan 0.000 0.440 147 R N 1.140 121.760 120.500 0.200 0.000 2.888 147 R HA 0.376 4.716 4.340 -0.000 0.000 0.266 147 R C 0.677 177.070 176.300 0.154 0.000 1.020 147 R CA -0.972 55.217 56.100 0.148 0.000 0.963 147 R CB 1.698 32.069 30.300 0.119 0.000 1.197 147 R HN 0.280 nan 8.270 nan 0.000 0.481 148 V N 1.234 121.218 119.914 0.118 0.000 2.380 148 V HA -0.248 3.872 4.120 -0.000 0.000 0.251 148 V C 2.227 178.448 176.094 0.212 0.000 1.063 148 V CA 2.588 64.955 62.300 0.112 0.000 1.055 148 V CB -0.788 31.102 31.823 0.112 0.000 0.657 148 V HN 1.114 nan 8.190 nan 0.000 0.455 149 G N -0.581 108.359 108.800 0.233 0.000 2.450 149 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.220 149 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.220 149 G C 1.231 176.331 174.900 0.333 0.000 1.130 149 G CA 0.926 46.202 45.100 0.293 0.000 0.760 149 G HN 0.524 nan 8.290 nan 0.000 0.557 150 D N 0.600 121.149 120.400 0.247 0.000 2.218 150 D HA -0.068 4.572 4.640 -0.000 0.000 0.204 150 D C 2.510 178.937 176.300 0.210 0.000 0.976 150 D CA 0.422 54.590 54.000 0.280 0.000 0.853 150 D CB -0.083 40.951 40.800 0.390 0.000 0.939 150 D HN 0.321 nan 8.370 nan 0.000 0.481 151 L N -0.211 121.010 121.223 -0.002 0.000 2.353 151 L HA -0.118 4.222 4.340 -0.000 0.000 0.220 151 L C 1.919 178.646 176.870 -0.238 0.000 1.133 151 L CA 0.373 55.008 54.840 -0.341 0.000 0.798 151 L CB -0.408 41.372 42.059 -0.465 0.000 0.922 151 L HN -0.061 nan 8.230 nan 0.000 0.445 152 F N -0.611 119.310 119.950 -0.049 0.000 2.641 152 F HA -0.094 4.433 4.527 -0.000 0.000 0.298 152 F C 1.149 176.951 175.800 0.004 0.000 1.146 152 F CA 0.813 58.801 58.000 -0.021 0.000 1.464 152 F CB -0.062 38.936 39.000 -0.003 0.000 1.101 152 F HN 0.027 nan 8.300 nan 0.000 0.585 153 D N -0.075 120.417 120.400 0.153 0.000 2.408 153 D HA 0.103 4.743 4.640 -0.000 0.000 0.261 153 D C 0.717 177.095 176.300 0.130 0.000 1.190 153 D CA -0.084 53.995 54.000 0.131 0.000 0.910 153 D CB 0.742 41.630 40.800 0.147 0.000 1.097 153 D HN 0.082 nan 8.370 nan 0.000 0.522 154 K N 1.466 121.911 120.400 0.074 0.000 2.074 154 K HA -0.189 4.131 4.320 -0.000 0.000 0.209 154 K C 1.431 178.137 176.600 0.176 0.000 1.048 154 K CA 1.268 57.612 56.287 0.096 0.000 0.926 154 K CB 0.434 32.957 32.500 0.038 0.000 0.713 154 K HN 0.496 nan 8.250 nan 0.000 0.444 155 E N -0.005 120.274 120.200 0.131 0.000 1.998 155 E HA -0.177 4.173 4.350 -0.000 0.000 0.196 155 E C 2.178 178.864 176.600 0.142 0.000 1.003 155 E CA 2.015 58.489 56.400 0.122 0.000 0.829 155 E CB -0.279 29.473 29.700 0.086 0.000 0.777 155 E HN 0.439 nan 8.360 nan 0.000 0.460 156 T N -0.363 114.271 114.554 0.134 0.000 2.822 156 T HA -0.236 4.114 4.350 -0.000 0.000 0.270 156 T C 1.713 176.505 174.700 0.154 0.000 1.064 156 T CA 1.200 63.373 62.100 0.122 0.000 1.131 156 T CB -0.465 68.471 68.868 0.113 0.000 0.858 156 T HN 0.161 nan 8.240 nan 0.000 0.483 157 F N 2.686 122.679 119.950 0.072 0.000 2.113 157 F HA 0.207 4.734 4.527 -0.000 0.000 0.297 157 F C 2.640 178.505 175.800 0.109 0.000 1.103 157 F CA 0.788 58.838 58.000 0.083 0.000 1.248 157 F CB -0.947 38.094 39.000 0.068 0.000 0.999 157 F HN 0.252 nan 8.300 nan 0.000 0.475 158 A N 0.388 123.278 122.820 0.117 0.000 1.908 158 A HA -0.226 4.095 4.320 -0.000 0.000 0.218 158 A C 2.107 179.732 177.584 0.069 0.000 1.181 158 A CA 2.000 54.096 52.037 0.099 0.000 0.627 158 A CB -0.915 18.209 19.000 0.205 0.000 0.818 158 A HN 0.612 nan 8.150 nan 0.000 0.445 159 E N 0.055 120.273 120.200 0.029 0.000 2.031 159 E HA -0.209 4.141 4.350 -0.000 0.000 0.193 159 E C 2.057 178.611 176.600 -0.077 0.000 0.994 159 E CA 1.427 57.815 56.400 -0.019 0.000 0.800 159 E CB -0.270 29.430 29.700 0.000 0.000 0.752 159 E HN 0.619 nan 8.360 nan 0.000 0.447 160 K N 0.664 121.009 120.400 -0.090 0.000 2.063 160 K HA -0.162 4.158 4.320 -0.000 0.000 0.208 160 K C 2.277 178.778 176.600 -0.166 0.000 1.048 160 K CA 0.965 57.184 56.287 -0.113 0.000 0.928 160 K CB -0.234 32.218 32.500 -0.081 0.000 0.713 160 K HN 0.021 nan 8.250 nan 0.000 0.442 161 L N 2.013 123.070 121.223 -0.276 0.000 2.046 161 L HA -0.169 4.171 4.340 -0.000 0.000 0.208 161 L C 2.270 179.117 176.870 -0.038 0.000 1.077 161 L CA 1.787 56.507 54.840 -0.201 0.000 0.747 161 L CB -0.356 41.499 42.059 -0.341 0.000 0.896 161 L HN 0.044 nan 8.230 nan 0.000 0.432 162 K N -0.098 120.255 120.400 -0.078 0.000 2.026 162 K HA -0.259 4.061 4.320 -0.000 0.000 0.208 162 K C 2.018 178.454 176.600 -0.272 0.000 1.048 162 K CA 1.923 57.958 56.287 -0.421 0.000 0.929 162 K CB -0.257 31.866 32.500 -0.628 0.000 0.713 162 K HN 0.717 nan 8.250 nan 0.000 0.439 163 E N 0.223 120.310 120.200 -0.189 0.000 2.150 163 E HA -0.139 4.211 4.350 -0.000 0.000 0.193 163 E C 1.967 178.488 176.600 -0.132 0.000 0.985 163 E CA 1.085 57.398 56.400 -0.145 0.000 0.814 163 E CB -0.291 29.336 29.700 -0.121 0.000 0.752 163 E HN 0.168 nan 8.360 nan 0.000 0.466 164 V N 0.687 120.510 119.914 -0.152 0.000 2.548 164 V HA -0.154 3.966 4.120 -0.000 0.000 0.249 164 V C 2.160 178.120 176.094 -0.223 0.000 1.055 164 V CA 1.581 63.770 62.300 -0.185 0.000 1.065 164 V CB -0.228 31.514 31.823 -0.136 0.000 0.681 164 V HN 0.357 nan 8.190 nan 0.000 0.462 165 M N -0.707 118.750 119.600 -0.238 0.000 2.254 165 M HA -0.108 4.372 4.480 -0.000 0.000 0.265 165 M C 2.026 178.269 176.300 -0.094 0.000 1.066 165 M CA 1.741 56.893 55.300 -0.248 0.000 1.123 165 M CB -0.308 32.208 32.600 -0.140 0.000 1.388 165 M HN 0.411 nan 8.290 nan 0.000 0.425 166 E N -0.338 119.814 120.200 -0.080 0.000 2.110 166 E HA -0.235 4.115 4.350 -0.000 0.000 0.193 166 E C 1.770 178.388 176.600 0.030 0.000 0.988 166 E CA 1.361 57.747 56.400 -0.023 0.000 0.804 166 E CB -0.272 29.399 29.700 -0.048 0.000 0.745 166 E HN 0.494 nan 8.360 nan 0.000 0.458 167 Y N 1.170 121.379 120.300 -0.151 0.000 2.114 167 Y HA -0.274 4.276 4.550 -0.000 0.000 0.284 167 Y C 2.038 177.876 175.900 -0.102 0.000 1.143 167 Y CA 2.190 60.174 58.100 -0.193 0.000 1.135 167 Y CB -0.425 37.826 38.460 -0.348 0.000 0.980 167 Y HN 0.092 nan 8.280 nan 0.000 0.499 168 H N -0.755 118.279 119.070 -0.059 0.000 2.357 168 H HA -0.126 4.430 4.556 -0.000 0.000 0.301 168 H C 2.014 177.332 175.328 -0.016 0.000 1.082 168 H CA 1.117 57.112 56.048 -0.089 0.000 1.342 168 H CB -0.065 29.668 29.762 -0.048 0.000 1.389 168 H HN 0.316 nan 8.280 nan 0.000 0.511 169 N N 0.528 119.299 118.700 0.117 0.000 2.166 169 N HA -0.170 4.570 4.740 -0.000 0.000 0.186 169 N C 1.686 177.256 175.510 0.100 0.000 1.019 169 N CA 0.830 53.940 53.050 0.101 0.000 0.856 169 N CB -0.428 38.098 38.487 0.065 0.000 0.993 169 N HN 0.245 nan 8.380 nan 0.000 0.426 170 F N 2.130 122.050 119.950 -0.051 0.000 2.120 170 F HA -0.233 4.294 4.527 -0.000 0.000 0.300 170 F C 2.618 178.396 175.800 -0.037 0.000 1.095 170 F CA 1.710 59.674 58.000 -0.061 0.000 1.249 170 F CB -0.323 38.607 39.000 -0.117 0.000 0.995 170 F HN 0.107 nan 8.300 nan 0.000 0.480 171 Q N 0.201 120.152 119.800 0.252 0.000 2.049 171 Q HA -0.158 4.182 4.340 -0.000 0.000 0.198 171 Q C 2.393 178.549 176.000 0.261 0.000 0.971 171 Q CA 1.724 57.653 55.803 0.210 0.000 0.833 171 Q CB -0.273 28.543 28.738 0.130 0.000 0.896 171 Q HN 0.544 nan 8.270 nan 0.000 0.434 172 L N 0.371 121.766 121.223 0.286 0.000 2.013 172 L HA -0.230 4.110 4.340 -0.000 0.000 0.212 172 L C 2.555 179.541 176.870 0.193 0.000 1.073 172 L CA 1.696 56.724 54.840 0.314 0.000 0.753 172 L CB -0.650 41.519 42.059 0.184 0.000 0.890 172 L HN 0.321 nan 8.230 nan 0.000 0.432 173 V N -3.552 116.399 119.914 0.063 0.000 2.374 173 V HA -0.034 4.086 4.120 -0.000 0.000 0.241 173 V C 2.077 178.125 176.094 -0.076 0.000 1.034 173 V CA 1.280 63.571 62.300 -0.016 0.000 1.037 173 V CB -0.743 31.040 31.823 -0.066 0.000 0.682 173 V HN 0.347 nan 8.190 nan 0.000 0.463 174 N N -0.358 118.232 118.700 -0.183 0.000 2.142 174 N HA -0.123 4.617 4.740 -0.000 0.000 0.186 174 N C 1.843 177.305 175.510 -0.080 0.000 1.023 174 N CA 2.233 55.147 53.050 -0.226 0.000 0.852 174 N CB -0.347 37.813 38.487 -0.545 0.000 0.998 174 N HN 0.722 nan 8.380 nan 0.000 0.424 175 Y N -0.094 120.106 120.300 -0.167 0.000 2.301 175 Y HA 0.014 4.564 4.550 -0.000 0.000 0.295 175 Y C 1.445 177.180 175.900 -0.274 0.000 1.126 175 Y CA 0.996 58.947 58.100 -0.249 0.000 1.154 175 Y CB -0.223 38.002 38.460 -0.393 0.000 1.075 175 Y HN -0.091 nan 8.280 nan 0.000 0.534 176 Y N 0.354 120.624 120.300 -0.050 0.000 2.503 176 Y HA 0.177 4.727 4.550 -0.000 0.000 0.278 176 Y C 0.529 176.368 175.900 -0.101 0.000 1.111 176 Y CA 0.148 58.178 58.100 -0.117 0.000 1.270 176 Y CB 0.187 38.663 38.460 0.026 0.000 1.063 176 Y HN -0.158 nan 8.280 nan 0.000 0.548 177 K N -0.712 119.720 120.400 0.053 0.000 3.161 177 K HA -0.146 4.174 4.320 -0.000 0.000 0.270 177 K C -0.263 176.360 176.600 0.037 0.000 1.115 177 K CA 0.846 57.139 56.287 0.010 0.000 0.789 177 K CB -2.047 30.439 32.500 -0.025 0.000 1.256 177 K HN 0.300 nan 8.250 nan 0.000 0.492 178 A N 0.243 123.105 122.820 0.069 0.000 2.346 178 A HA 0.621 4.941 4.320 -0.000 0.000 0.313 178 A C 0.279 177.886 177.584 0.037 0.000 1.140 178 A CA -0.734 51.333 52.037 0.049 0.000 0.826 178 A CB 0.874 19.906 19.000 0.052 0.000 1.332 178 A HN 0.183 nan 8.150 nan 0.000 0.457 179 E N 0.142 120.357 120.200 0.025 0.000 2.418 179 E HA 0.332 4.682 4.350 -0.000 0.000 0.261 179 E C 0.303 176.926 176.600 0.038 0.000 1.070 179 E CA 0.336 56.751 56.400 0.024 0.000 0.931 179 E CB 0.620 30.332 29.700 0.020 0.000 0.954 179 E HN 0.703 nan 8.360 nan 0.000 0.439 180 A N 1.777 124.620 122.820 0.037 0.000 2.264 180 A HA 0.421 4.741 4.320 -0.000 0.000 0.304 180 A C -0.301 177.322 177.584 0.064 0.000 1.100 180 A CA -0.667 51.402 52.037 0.052 0.000 0.839 180 A CB 0.901 19.925 19.000 0.041 0.000 1.121 180 A HN 0.324 nan 8.150 nan 0.000 0.496 181 V N 1.597 121.564 119.914 0.088 0.000 2.398 181 V HA 0.182 4.302 4.120 -0.000 0.000 0.286 181 V C -0.191 175.972 176.094 0.116 0.000 1.026 181 V CA -0.432 61.932 62.300 0.107 0.000 0.868 181 V CB 1.242 33.161 31.823 0.161 0.000 0.982 181 V HN 0.980 nan 8.190 nan 0.000 0.443 182 D N 2.832 123.290 120.400 0.096 0.000 2.412 182 D HA -0.012 4.628 4.640 -0.000 0.000 0.257 182 D C 0.746 177.124 176.300 0.130 0.000 1.217 182 D CA 0.183 54.244 54.000 0.103 0.000 0.897 182 D CB 0.471 41.309 40.800 0.064 0.000 1.132 182 D HN 0.548 nan 8.370 nan 0.000 0.493 183 Y N 3.965 124.289 120.300 0.040 0.000 2.053 183 Y HA -0.300 4.250 4.550 -0.000 0.000 0.277 183 Y C 2.026 177.953 175.900 0.045 0.000 1.159 183 Y CA 2.150 60.272 58.100 0.037 0.000 1.125 183 Y CB -0.562 37.904 38.460 0.011 0.000 0.969 183 Y HN 0.529 nan 8.280 nan 0.000 0.492 184 Q N 0.868 120.547 119.800 -0.201 0.000 2.077 184 Q HA -0.246 4.094 4.340 -0.000 0.000 0.206 184 Q C 2.276 178.165 176.000 -0.185 0.000 0.989 184 Q CA 2.483 58.114 55.803 -0.287 0.000 0.853 184 Q CB -0.458 28.245 28.738 -0.059 0.000 0.907 184 Q HN 0.458 nan 8.270 nan 0.000 0.418 185 K N -0.812 119.541 120.400 -0.077 0.000 2.032 185 K HA -0.102 4.218 4.320 -0.000 0.000 0.209 185 K C 1.813 178.387 176.600 -0.043 0.000 1.048 185 K CA 1.794 58.057 56.287 -0.040 0.000 0.927 185 K CB -0.673 31.825 32.500 -0.003 0.000 0.712 185 K HN 0.155 nan 8.250 nan 0.000 0.441 186 V N 0.986 120.881 119.914 -0.032 0.000 2.407 186 V HA -0.192 3.928 4.120 -0.000 0.000 0.248 186 V C 2.279 178.367 176.094 -0.010 0.000 1.055 186 V CA 1.658 63.963 62.300 0.009 0.000 1.049 186 V CB -0.547 31.334 31.823 0.096 0.000 0.662 186 V HN 0.371 nan 8.190 nan 0.000 0.455 187 L N 0.333 121.474 121.223 -0.137 0.000 2.056 187 L HA -0.136 4.204 4.340 -0.000 0.000 0.207 187 L C 2.089 178.936 176.870 -0.039 0.000 1.078 187 L CA 2.031 56.805 54.840 -0.111 0.000 0.749 187 L CB -0.882 40.940 42.059 -0.394 0.000 0.901 187 L HN 0.304 nan 8.230 nan 0.000 0.433 188 D N -0.339 120.019 120.400 -0.072 0.000 2.084 188 D HA -0.167 4.473 4.640 -0.000 0.000 0.196 188 D C 1.762 178.046 176.300 -0.027 0.000 0.985 188 D CA 1.427 55.402 54.000 -0.042 0.000 0.826 188 D CB -0.270 40.504 40.800 -0.044 0.000 0.978 188 D HN 0.360 nan 8.370 nan 0.000 0.456 189 D N 0.258 120.644 120.400 -0.024 0.000 2.133 189 D HA -0.122 4.518 4.640 -0.000 0.000 0.195 189 D C 2.015 178.301 176.300 -0.023 0.000 0.997 189 D CA 1.331 55.318 54.000 -0.022 0.000 0.840 189 D CB -0.546 40.243 40.800 -0.017 0.000 0.947 189 D HN 0.179 nan 8.370 nan 0.000 0.452 190 T N 0.687 115.240 114.554 -0.003 0.000 2.777 190 T HA -0.072 4.278 4.350 -0.000 0.000 0.266 190 T C 1.888 176.548 174.700 -0.067 0.000 1.040 190 T CA 0.757 62.847 62.100 -0.016 0.000 1.141 190 T CB -0.040 68.873 68.868 0.076 0.000 0.868 190 T HN 0.069 nan 8.240 nan 0.000 0.444 191 M N 1.248 120.823 119.600 -0.041 0.000 2.358 191 M HA 0.119 4.599 4.480 -0.000 0.000 0.264 191 M C 2.626 178.886 176.300 -0.067 0.000 1.064 191 M CA 0.727 55.988 55.300 -0.064 0.000 1.093 191 M CB -1.328 31.257 32.600 -0.024 0.000 1.401 191 M HN 0.297 nan 8.290 nan 0.000 0.440 192 A N 0.033 122.821 122.820 -0.053 0.000 2.121 192 A HA 0.042 4.362 4.320 -0.000 0.000 0.218 192 A C 1.845 179.393 177.584 -0.059 0.000 1.154 192 A CA 1.554 53.562 52.037 -0.048 0.000 0.679 192 A CB -0.479 18.498 19.000 -0.038 0.000 0.795 192 A HN 0.421 nan 8.150 nan 0.000 0.458 193 V N -5.316 114.552 119.914 -0.076 0.000 3.330 193 V HA 0.587 4.707 4.120 -0.000 0.000 0.309 193 V C 1.708 177.732 176.094 -0.116 0.000 1.481 193 V CA 0.430 62.680 62.300 -0.083 0.000 1.068 193 V CB -0.624 31.154 31.823 -0.074 0.000 0.935 193 V HN 0.341 nan 8.190 nan 0.000 0.453 194 A N 1.467 124.199 122.820 -0.147 0.000 1.892 194 A HA -0.215 4.105 4.320 -0.000 0.000 0.218 194 A C 1.889 179.346 177.584 -0.210 0.000 1.188 194 A CA 2.528 54.437 52.037 -0.213 0.000 0.631 194 A CB -0.715 18.138 19.000 -0.244 0.000 0.822 194 A HN 0.571 nan 8.150 nan 0.000 0.447 195 D N -0.018 120.286 120.400 -0.159 0.000 2.117 195 D HA -0.133 4.507 4.640 -0.000 0.000 0.197 195 D C 1.936 178.169 176.300 -0.112 0.000 0.987 195 D CA 1.092 55.009 54.000 -0.138 0.000 0.829 195 D CB -0.328 40.417 40.800 -0.093 0.000 0.961 195 D HN 0.343 nan 8.370 nan 0.000 0.460 196 I N 0.864 121.379 120.570 -0.092 0.000 2.113 196 I HA -0.196 3.974 4.170 -0.000 0.000 0.238 196 I C 2.536 178.610 176.117 -0.072 0.000 1.070 196 I CA 0.583 61.843 61.300 -0.067 0.000 1.332 196 I CB -1.099 36.868 38.000 -0.055 0.000 1.044 196 I HN 0.041 nan 8.210 nan 0.000 0.402 197 L N 1.154 122.321 121.223 -0.093 0.000 1.990 197 L HA -0.251 4.089 4.340 -0.000 0.000 0.213 197 L C 2.692 179.507 176.870 -0.092 0.000 1.072 197 L CA 2.846 57.633 54.840 -0.088 0.000 0.755 197 L CB -1.298 40.694 42.059 -0.112 0.000 0.889 197 L HN 0.485 nan 8.230 nan 0.000 0.432 198 T N -3.511 110.936 114.554 -0.177 0.000 3.007 198 T HA -0.107 4.243 4.350 -0.000 0.000 0.270 198 T C 1.836 176.510 174.700 -0.043 0.000 1.107 198 T CA 1.043 63.012 62.100 -0.219 0.000 1.118 198 T CB -0.928 67.543 68.868 -0.661 0.000 0.889 198 T HN 0.563 nan 8.240 nan 0.000 0.506 199 S N 0.823 116.498 115.700 -0.041 0.000 2.561 199 S HA 0.161 4.631 4.470 -0.000 0.000 0.225 199 S C 1.663 176.285 174.600 0.036 0.000 0.977 199 S CA 0.096 58.302 58.200 0.010 0.000 0.926 199 S CB -0.660 62.534 63.200 -0.009 0.000 0.769 199 S HN 0.560 nan 8.310 nan 0.000 0.533 200 M N 1.263 120.885 119.600 0.035 0.000 2.371 200 M HA 0.301 4.781 4.480 -0.000 0.000 0.246 200 M C -0.297 176.046 176.300 0.071 0.000 1.103 200 M CA -0.130 55.197 55.300 0.045 0.000 1.010 200 M CB 0.767 33.385 32.600 0.029 0.000 1.457 200 M HN 0.040 nan 8.290 nan 0.000 0.486 201 V N 1.162 121.142 119.914 0.111 0.000 2.655 201 V HA 0.197 4.317 4.120 -0.000 0.000 0.300 201 V C 0.016 176.168 176.094 0.096 0.000 1.044 201 V CA -0.012 62.372 62.300 0.140 0.000 1.095 201 V CB 1.412 33.407 31.823 0.287 0.000 0.952 201 V HN 0.111 nan 8.190 nan 0.000 0.485 202 V N 3.448 123.401 119.914 0.066 0.000 3.178 202 V HA 0.410 4.530 4.120 -0.000 0.000 0.302 202 V C -1.109 174.997 176.094 0.020 0.000 1.262 202 V CA -0.786 61.536 62.300 0.037 0.000 1.030 202 V CB 2.517 34.362 31.823 0.036 0.000 1.074 202 V HN 0.920 nan 8.190 nan 0.000 0.438 203 D N 2.964 123.366 120.400 0.003 0.000 2.435 203 D HA 0.185 4.825 4.640 -0.000 0.000 0.230 203 D C 1.026 177.324 176.300 -0.003 0.000 1.215 203 D CA 0.274 54.273 54.000 -0.002 0.000 0.947 203 D CB 1.227 42.021 40.800 -0.011 0.000 1.048 203 D HN 0.312 nan 8.370 nan 0.000 0.512 204 V N 3.107 123.026 119.914 0.009 0.000 2.332 204 V HA -0.249 3.871 4.120 -0.000 0.000 0.248 204 V C 2.464 178.560 176.094 0.003 0.000 1.055 204 V CA 1.606 63.907 62.300 0.001 0.000 1.038 204 V CB -0.500 31.345 31.823 0.037 0.000 0.651 204 V HN 0.466 nan 8.190 nan 0.000 0.450 205 S N -0.097 115.618 115.700 0.025 0.000 2.353 205 S HA -0.294 4.176 4.470 -0.000 0.000 0.222 205 S C 1.839 176.447 174.600 0.014 0.000 1.035 205 S CA 2.067 60.288 58.200 0.034 0.000 1.025 205 S CB -0.473 62.748 63.200 0.036 0.000 0.902 205 S HN 0.762 nan 8.310 nan 0.000 0.440 206 D N 1.002 121.402 120.400 0.001 0.000 2.097 206 D HA -0.057 4.583 4.640 -0.000 0.000 0.197 206 D C 1.949 178.229 176.300 -0.032 0.000 0.984 206 D CA 0.767 54.761 54.000 -0.009 0.000 0.826 206 D CB -0.273 40.522 40.800 -0.008 0.000 0.973 206 D HN 0.281 nan 8.370 nan 0.000 0.460 207 L N -0.013 121.177 121.223 -0.055 0.000 2.012 207 L HA -0.176 4.164 4.340 -0.000 0.000 0.210 207 L C 2.210 178.977 176.870 -0.173 0.000 1.073 207 L CA 1.234 56.007 54.840 -0.113 0.000 0.748 207 L CB -0.212 41.756 42.059 -0.152 0.000 0.891 207 L HN 0.180 nan 8.230 nan 0.000 0.431 208 L N -0.404 120.731 121.223 -0.146 0.000 2.141 208 L HA -0.209 4.131 4.340 -0.000 0.000 0.209 208 L C 2.185 179.023 176.870 -0.054 0.000 1.094 208 L CA 1.309 56.079 54.840 -0.117 0.000 0.763 208 L CB -0.671 41.392 42.059 0.007 0.000 0.908 208 L HN 0.389 nan 8.230 nan 0.000 0.437 209 D N -0.118 120.260 120.400 -0.036 0.000 2.117 209 D HA -0.196 4.444 4.640 -0.000 0.000 0.198 209 D C 2.237 178.497 176.300 -0.066 0.000 0.982 209 D CA 1.297 55.269 54.000 -0.047 0.000 0.828 209 D CB 0.140 40.933 40.800 -0.012 0.000 0.967 209 D HN 0.291 nan 8.370 nan 0.000 0.464 210 Q N -0.198 119.573 119.800 -0.047 0.000 2.119 210 Q HA -0.029 4.311 4.340 -0.000 0.000 0.201 210 Q C 2.281 178.271 176.000 -0.017 0.000 0.972 210 Q CA 1.270 57.055 55.803 -0.030 0.000 0.847 210 Q CB -0.161 28.568 28.738 -0.015 0.000 0.903 210 Q HN 0.339 nan 8.270 nan 0.000 0.433 211 A N 1.615 124.422 122.820 -0.022 0.000 1.933 211 A HA -0.213 4.107 4.320 -0.000 0.000 0.218 211 A C 2.075 179.677 177.584 0.030 0.000 1.175 211 A CA 1.476 53.539 52.037 0.043 0.000 0.628 211 A CB -0.505 18.503 19.000 0.013 0.000 0.814 211 A HN 0.255 nan 8.150 nan 0.000 0.444 212 R N -0.357 120.123 120.500 -0.034 0.000 2.075 212 R HA -0.149 4.191 4.340 -0.000 0.000 0.232 212 R C 2.157 178.401 176.300 -0.093 0.000 1.126 212 R CA 1.741 57.790 56.100 -0.085 0.000 0.963 212 R CB -0.360 29.786 30.300 -0.257 0.000 0.858 212 R HN 0.651 nan 8.270 nan 0.000 0.435 213 Q N -0.226 119.516 119.800 -0.096 0.000 2.226 213 Q HA -0.098 4.242 4.340 -0.000 0.000 0.204 213 Q C 1.819 177.804 176.000 -0.024 0.000 0.975 213 Q CA 1.207 56.969 55.803 -0.069 0.000 0.866 213 Q CB 0.113 28.816 28.738 -0.058 0.000 0.915 213 Q HN 0.354 nan 8.270 nan 0.000 0.440 214 R N -0.801 119.697 120.500 -0.003 0.000 2.297 214 R HA 0.074 4.414 4.340 -0.000 0.000 0.197 214 R C 0.901 177.217 176.300 0.027 0.000 0.943 214 R CA 0.546 56.653 56.100 0.012 0.000 1.038 214 R CB 0.491 30.805 30.300 0.023 0.000 0.957 214 R HN 0.315 nan 8.270 nan 0.000 0.484 215 G N 2.129 110.954 108.800 0.043 0.000 2.160 215 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.251 215 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.251 215 G C -0.426 174.563 174.900 0.149 0.000 1.008 215 G CA 0.118 45.271 45.100 0.089 0.000 0.724 215 G HN 0.263 nan 8.290 nan 0.000 0.514 216 D N -0.444 120.037 120.400 0.136 0.000 2.382 216 D HA 0.378 5.018 4.640 -0.000 0.000 0.240 216 D C 0.670 177.166 176.300 0.327 0.000 1.146 216 D CA 0.016 54.111 54.000 0.160 0.000 0.897 216 D CB 0.268 41.178 40.800 0.183 0.000 1.197 216 D HN -0.035 nan 8.370 nan 0.000 0.432 217 F N 0.882 120.775 119.950 -0.094 0.000 2.445 217 F HA 0.201 4.728 4.527 0.000 0.000 0.359 217 F C 0.475 176.287 175.800 0.020 0.000 1.101 217 F CA -0.701 57.195 58.000 -0.173 0.000 1.177 217 F CB 0.485 39.058 39.000 -0.712 0.000 1.110 217 F HN -0.154 nan 8.300 nan 0.000 0.522 218 V N 6.005 126.114 119.914 0.326 0.000 2.540 218 V HA 0.425 4.545 4.120 -0.000 0.000 0.302 218 V C -0.287 175.928 176.094 0.201 0.000 1.035 218 V CA -0.864 61.560 62.300 0.207 0.000 0.873 218 V CB 2.000 33.862 31.823 0.066 0.000 0.992 218 V HN 0.735 nan 8.190 nan 0.000 0.428 219 M N 5.314 124.972 119.600 0.096 0.000 2.243 219 M HA 0.643 5.123 4.480 -0.000 0.000 0.324 219 M C -1.812 174.443 176.300 -0.075 0.000 1.031 219 M CA -0.241 55.114 55.300 0.092 0.000 0.949 219 M CB 1.160 33.868 32.600 0.179 0.000 1.615 219 M HN 0.502 nan 8.290 nan 0.000 0.430 220 F N 3.105 123.150 119.950 0.158 0.000 2.410 220 F HA 0.356 4.883 4.527 0.000 0.000 0.349 220 F C 0.297 176.275 175.800 0.296 0.000 1.117 220 F CA -0.377 57.764 58.000 0.235 0.000 1.104 220 F CB 1.088 40.163 39.000 0.126 0.000 1.122 220 F HN 0.509 nan 8.300 nan 0.000 0.483 221 E N 3.036 123.500 120.200 0.440 0.000 2.113 221 E HA 0.530 4.880 4.350 -0.000 0.000 0.273 221 E C -0.086 176.609 176.600 0.158 0.000 0.924 221 E CA -0.629 55.931 56.400 0.266 0.000 0.764 221 E CB 1.102 30.894 29.700 0.152 0.000 1.104 221 E HN 0.779 nan 8.360 nan 0.000 0.406 222 G N 2.591 111.474 108.800 0.139 0.000 2.528 222 G HA2 0.594 4.554 3.960 -0.000 0.000 0.289 222 G HA3 0.594 4.554 3.960 -0.000 0.000 0.289 222 G C -0.830 174.061 174.900 -0.015 0.000 1.192 222 G CA -0.153 44.885 45.100 -0.104 0.000 0.921 222 G HN 0.654 nan 8.290 nan 0.000 0.512 223 A N -0.526 122.273 122.820 -0.035 0.000 2.386 223 A HA 0.803 5.123 4.320 -0.000 0.000 0.308 223 A C 0.162 177.797 177.584 0.084 0.000 1.128 223 A CA -0.207 51.901 52.037 0.119 0.000 0.789 223 A CB 1.175 20.208 19.000 0.055 0.000 1.325 223 A HN 0.889 nan 8.150 nan 0.000 0.437 224 Q N -1.485 118.388 119.800 0.122 0.000 1.202 224 Q HA -0.055 4.285 4.340 -0.000 0.000 0.374 224 Q C 0.343 176.384 176.000 0.069 0.000 1.006 224 Q CA 2.309 58.165 55.803 0.089 0.000 0.589 224 Q CB -1.481 27.296 28.738 0.064 0.000 4.807 224 Q HN 2.085 nan 8.270 nan 0.000 0.528 225 G N -3.031 105.798 108.800 0.049 0.000 2.684 225 G HA2 0.503 4.463 3.960 -0.000 0.000 0.290 225 G HA3 0.503 4.463 3.960 -0.000 0.000 0.290 225 G C 0.138 175.023 174.900 -0.025 0.000 1.425 225 G CA 0.046 45.150 45.100 0.006 0.000 0.822 225 G HN 0.407 nan 8.290 nan 0.000 0.482 226 T N 0.706 115.221 114.554 -0.065 0.000 2.624 226 T HA -0.154 4.196 4.350 -0.000 0.000 0.268 226 T C 2.250 176.904 174.700 -0.076 0.000 1.041 226 T CA 1.376 63.439 62.100 -0.061 0.000 1.159 226 T CB -0.353 68.465 68.868 -0.083 0.000 0.863 226 T HN 0.255 nan 8.240 nan 0.000 0.434 227 L N 0.544 121.625 121.223 -0.236 0.000 2.622 227 L HA 0.139 4.479 4.340 -0.000 0.000 0.233 227 L C 1.570 178.449 176.870 0.015 0.000 1.156 227 L CA 0.448 55.171 54.840 -0.195 0.000 0.866 227 L CB -0.342 41.342 42.059 -0.626 0.000 0.980 227 L HN 0.282 nan 8.230 nan 0.000 0.448 228 L N -1.378 119.869 121.223 0.041 0.000 2.640 228 L HA 0.124 4.464 4.340 -0.000 0.000 0.230 228 L C 0.838 177.752 176.870 0.072 0.000 1.123 228 L CA -0.153 54.744 54.840 0.096 0.000 0.900 228 L CB 0.094 42.213 42.059 0.100 0.000 1.146 228 L HN 0.159 nan 8.230 nan 0.000 0.484 229 D N 1.183 121.626 120.400 0.073 0.000 2.487 229 D HA -0.093 4.547 4.640 -0.000 0.000 0.243 229 D C 1.214 177.558 176.300 0.073 0.000 1.154 229 D CA 0.022 54.069 54.000 0.079 0.000 0.876 229 D CB 1.480 42.358 40.800 0.131 0.000 1.161 229 D HN 0.026 nan 8.370 nan 0.000 0.478 230 I N 4.113 124.702 120.570 0.030 0.000 2.335 230 I HA -0.249 3.921 4.170 -0.000 0.000 0.251 230 I C 1.434 177.556 176.117 0.008 0.000 1.129 230 I CA 1.611 62.935 61.300 0.040 0.000 1.402 230 I CB 0.015 37.997 38.000 -0.030 0.000 1.069 230 I HN 0.439 nan 8.210 nan 0.000 0.424 231 D N -1.260 119.081 120.400 -0.098 0.000 2.290 231 D HA -0.010 4.630 4.640 -0.000 0.000 0.224 231 D C 1.611 177.696 176.300 -0.358 0.000 0.967 231 D CA 0.879 54.693 54.000 -0.310 0.000 0.893 231 D CB -0.051 40.434 40.800 -0.524 0.000 1.037 231 D HN 0.487 nan 8.370 nan 0.000 0.477 232 H N 0.074 119.170 119.070 0.044 0.000 2.575 232 H HA 0.263 4.819 4.556 -0.000 0.000 0.267 232 H C 1.230 176.629 175.328 0.117 0.000 0.966 232 H CA 0.050 56.139 56.048 0.069 0.000 1.165 232 H CB 0.736 30.522 29.762 0.041 0.000 1.433 232 H HN -0.013 nan 8.280 nan 0.000 0.544 233 G N 0.913 109.829 108.800 0.193 0.000 2.563 233 G HA2 0.107 4.067 3.960 -0.000 0.000 0.283 233 G HA3 0.107 4.067 3.960 -0.000 0.000 0.283 233 G C 0.400 175.432 174.900 0.220 0.000 1.309 233 G CA -0.285 44.924 45.100 0.182 0.000 1.022 233 G HN 0.238 nan 8.290 nan 0.000 0.501 234 T N -1.650 112.993 114.554 0.149 0.000 4.578 234 T HA 0.084 4.434 4.350 -0.000 0.000 0.236 234 T C 0.164 174.963 174.700 0.165 0.000 1.038 234 T CA -0.431 61.717 62.100 0.080 0.000 1.067 234 T CB -1.000 67.731 68.868 -0.227 0.000 1.390 234 T HN 0.322 nan 8.240 nan 0.000 1.076 235 Y N 4.076 124.424 120.300 0.080 0.000 2.805 235 Y HA 0.151 4.701 4.550 -0.000 0.000 0.337 235 Y C -1.251 174.644 175.900 -0.009 0.000 1.252 235 Y CA -1.570 56.539 58.100 0.015 0.000 1.515 235 Y CB 0.967 39.436 38.460 0.014 0.000 1.305 235 Y HN 0.300 nan 8.280 nan 0.000 0.600 236 P HA -0.035 nan 4.420 nan 0.000 0.255 236 P C -0.906 175.927 177.300 -0.778 0.000 1.248 236 P CA 0.593 62.941 63.100 -1.253 0.000 0.807 236 P CB -0.080 30.871 31.700 -1.249 0.000 1.150 237 Y N 1.680 121.862 120.300 -0.197 0.000 2.724 237 Y HA 0.235 4.785 4.550 -0.000 0.000 0.354 237 Y C 1.263 177.126 175.900 -0.062 0.000 1.270 237 Y CA -0.366 57.662 58.100 -0.121 0.000 1.902 237 Y CB -0.542 37.850 38.460 -0.114 0.000 1.981 237 Y HN -0.111 nan 8.280 nan 0.000 0.428 238 V N -3.076 116.835 119.914 -0.005 0.000 3.181 238 V HA 0.657 4.777 4.120 -0.000 0.000 0.307 238 V C -0.227 175.875 176.094 0.014 0.000 1.310 238 V CA -1.002 61.324 62.300 0.044 0.000 1.067 238 V CB 1.791 33.657 31.823 0.071 0.000 1.081 238 V HN 0.141 nan 8.190 nan 0.000 0.453 239 T N -0.526 114.044 114.554 0.027 0.000 2.862 239 T HA 0.420 4.770 4.350 -0.000 0.000 0.276 239 T C 0.829 175.517 174.700 -0.020 0.000 0.974 239 T CA 0.358 62.465 62.100 0.011 0.000 0.966 239 T CB 1.405 70.285 68.868 0.021 0.000 1.072 239 T HN 0.932 nan 8.240 nan 0.000 0.538 240 S N 1.155 116.827 115.700 -0.047 0.000 2.634 240 S HA 0.220 4.690 4.470 -0.000 0.000 0.221 240 S C 0.459 174.784 174.600 -0.457 0.000 0.952 240 S CA -0.462 57.652 58.200 -0.143 0.000 0.930 240 S CB -0.258 62.930 63.200 -0.020 0.000 0.780 240 S HN 0.756 nan 8.310 nan 0.000 0.498 241 S N 0.833 116.302 115.700 -0.386 0.000 2.715 241 S HA 0.505 4.975 4.470 -0.000 0.000 0.307 241 S C -0.905 173.603 174.600 -0.152 0.000 1.119 241 S CA -1.092 56.838 58.200 -0.450 0.000 0.937 241 S CB 0.665 63.627 63.200 -0.395 0.000 1.150 241 S HN 0.176 nan 8.310 nan 0.000 0.521 242 N N 1.173 119.829 118.700 -0.074 0.000 2.415 242 N HA 0.287 5.027 4.740 -0.000 0.000 0.246 242 N C 0.935 176.500 175.510 0.091 0.000 1.078 242 N CA -0.094 52.974 53.050 0.029 0.000 0.942 242 N CB 1.175 39.694 38.487 0.053 0.000 1.140 242 N HN 0.796 nan 8.380 nan 0.000 0.501 243 T N -2.140 112.465 114.554 0.084 0.000 3.088 243 T HA -0.055 4.295 4.350 -0.000 0.000 0.259 243 T C 1.050 175.835 174.700 0.141 0.000 1.122 243 T CA 0.006 62.168 62.100 0.104 0.000 1.095 243 T CB -0.341 68.564 68.868 0.062 0.000 0.930 243 T HN 0.469 nan 8.240 nan 0.000 0.508 244 T N -0.447 114.175 114.554 0.112 0.000 2.868 244 T HA 0.643 4.993 4.350 -0.000 0.000 0.292 244 T C 1.798 176.529 174.700 0.052 0.000 1.028 244 T CA -0.250 61.888 62.100 0.063 0.000 1.059 244 T CB 1.075 69.956 68.868 0.022 0.000 0.991 244 T HN 0.191 nan 8.240 nan 0.000 0.531 245 A N 1.588 124.394 122.820 -0.022 0.000 2.009 245 A HA -0.043 4.277 4.320 -0.000 0.000 0.222 245 A C 2.489 179.976 177.584 -0.162 0.000 1.175 245 A CA 2.185 54.157 52.037 -0.108 0.000 0.651 245 A CB -1.791 17.130 19.000 -0.131 0.000 0.815 245 A HN 1.173 nan 8.150 nan 0.000 0.459 246 G N -0.927 107.815 108.800 -0.098 0.000 2.479 246 G HA2 0.032 3.992 3.960 -0.000 0.000 0.220 246 G HA3 0.032 3.992 3.960 -0.000 0.000 0.220 246 G C 1.377 176.224 174.900 -0.088 0.000 1.115 246 G CA 1.149 46.192 45.100 -0.094 0.000 0.757 246 G HN 0.789 nan 8.290 nan 0.000 0.560 247 G N 0.233 109.016 108.800 -0.028 0.000 2.509 247 G HA2 -0.034 3.926 3.960 -0.000 0.000 0.218 247 G HA3 -0.034 3.926 3.960 -0.000 0.000 0.218 247 G C 1.652 176.501 174.900 -0.085 0.000 1.124 247 G CA 0.880 46.020 45.100 0.066 0.000 0.776 247 G HN 0.317 nan 8.290 nan 0.000 0.547 248 V N 1.440 121.022 119.914 -0.553 0.000 2.287 248 V HA -0.184 3.936 4.120 -0.000 0.000 0.248 248 V C 3.281 179.086 176.094 -0.482 0.000 1.053 248 V CA 2.165 63.887 62.300 -0.964 0.000 1.027 248 V CB -0.853 30.299 31.823 -1.119 0.000 0.646 248 V HN 0.461 nan 8.190 nan 0.000 0.447 249 A N 0.738 123.359 122.820 -0.332 0.000 1.855 249 A HA -0.218 4.102 4.320 -0.000 0.000 0.215 249 A C 2.526 180.068 177.584 -0.069 0.000 1.191 249 A CA 2.596 54.520 52.037 -0.187 0.000 0.613 249 A CB -1.162 17.744 19.000 -0.156 0.000 0.829 249 A HN 0.632 nan 8.150 nan 0.000 0.442 250 T N -2.685 111.846 114.554 -0.038 0.000 2.788 250 T HA 0.012 4.362 4.350 -0.000 0.000 0.268 250 T C 1.647 176.392 174.700 0.075 0.000 1.044 250 T CA 1.611 63.725 62.100 0.023 0.000 1.139 250 T CB -0.689 68.200 68.868 0.034 0.000 0.867 250 T HN 0.459 nan 8.240 nan 0.000 0.454 251 G N 0.373 109.241 108.800 0.114 0.000 2.985 251 G HA2 0.273 4.233 3.960 -0.000 0.000 0.209 251 G HA3 0.273 4.233 3.960 -0.000 0.000 0.209 251 G C 1.387 176.416 174.900 0.215 0.000 1.165 251 G CA 0.570 45.792 45.100 0.203 0.000 0.776 251 G HN 0.727 nan 8.290 nan 0.000 0.541 252 S N -2.866 112.929 115.700 0.158 0.000 2.692 252 S HA 0.399 4.869 4.470 -0.000 0.000 0.269 252 S C 1.655 176.335 174.600 0.132 0.000 1.080 252 S CA 1.006 59.325 58.200 0.198 0.000 1.058 252 S CB 0.478 63.890 63.200 0.353 0.000 0.982 252 S HN 1.364 nan 8.310 nan 0.000 0.534 253 G N 1.203 110.052 108.800 0.083 0.000 2.176 253 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.232 253 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.232 253 G C -0.151 174.793 174.900 0.073 0.000 0.986 253 G CA 0.074 45.214 45.100 0.066 0.000 0.643 253 G HN 0.766 nan 8.290 nan 0.000 0.522 254 L N 2.442 123.716 121.223 0.085 0.000 2.416 254 L HA 0.666 5.006 4.340 -0.000 0.000 0.272 254 L C 1.185 178.101 176.870 0.076 0.000 1.161 254 L CA 0.395 55.310 54.840 0.126 0.000 0.845 254 L CB 0.687 42.842 42.059 0.159 0.000 1.119 254 L HN 0.494 nan 8.230 nan 0.000 0.464 255 G N 5.376 114.280 108.800 0.174 0.000 2.380 255 G HA2 0.222 4.182 3.960 -0.000 0.000 0.242 255 G HA3 0.222 4.182 3.960 -0.000 0.000 0.242 255 G C -1.638 173.168 174.900 -0.156 0.000 1.298 255 G CA -0.459 44.631 45.100 -0.018 0.000 0.878 255 G HN 0.750 nan 8.290 nan 0.000 0.542 256 P HA -0.178 nan 4.420 nan 0.000 0.217 256 P C 1.431 178.584 177.300 -0.246 0.000 1.148 256 P CA 0.934 63.911 63.100 -0.205 0.000 0.828 256 P CB 0.234 31.833 31.700 -0.169 0.000 0.783 257 R N -1.423 118.845 120.500 -0.385 0.000 2.285 257 R HA -0.082 4.258 4.340 -0.000 0.000 0.213 257 R C 1.033 177.141 176.300 -0.321 0.000 1.068 257 R CA 0.780 56.644 56.100 -0.393 0.000 1.004 257 R CB -0.476 29.529 30.300 -0.492 0.000 0.873 257 R HN 0.326 nan 8.270 nan 0.000 0.467 258 Y N -0.261 120.015 120.300 -0.040 0.000 2.596 258 Y HA 0.156 4.706 4.550 0.000 0.000 0.316 258 Y C 0.197 176.088 175.900 -0.015 0.000 1.156 258 Y CA -0.754 57.340 58.100 -0.011 0.000 1.300 258 Y CB 0.128 38.598 38.460 0.016 0.000 1.130 258 Y HN -0.286 nan 8.280 nan 0.000 0.518 259 V N 1.342 121.279 119.914 0.037 0.000 2.383 259 V HA 0.139 4.259 4.120 -0.000 0.000 0.275 259 V C 0.424 176.534 176.094 0.027 0.000 1.036 259 V CA -0.441 61.856 62.300 -0.006 0.000 0.889 259 V CB 1.544 33.300 31.823 -0.112 0.000 0.985 259 V HN 0.302 nan 8.190 nan 0.000 0.459 260 D N 2.643 123.086 120.400 0.073 0.000 2.323 260 D HA 0.063 4.703 4.640 -0.000 0.000 0.218 260 D C -0.194 176.165 176.300 0.099 0.000 0.973 260 D CA 1.168 55.215 54.000 0.078 0.000 0.890 260 D CB 0.766 41.623 40.800 0.094 0.000 1.011 260 D HN 0.511 nan 8.370 nan 0.000 0.499 261 Y N 0.721 120.982 120.300 -0.066 0.000 2.441 261 Y HA 0.347 4.897 4.550 0.000 0.000 0.334 261 Y C -1.679 174.157 175.900 -0.107 0.000 1.061 261 Y CA -0.950 57.090 58.100 -0.099 0.000 1.032 261 Y CB 1.621 40.006 38.460 -0.125 0.000 1.266 261 Y HN -0.391 nan 8.280 nan 0.000 0.441 262 V N 7.412 127.197 119.914 -0.214 0.000 2.334 262 V HA 0.318 4.438 4.120 -0.000 0.000 0.281 262 V C -0.638 175.366 176.094 -0.149 0.000 1.016 262 V CA -0.850 61.383 62.300 -0.112 0.000 0.832 262 V CB 1.439 33.155 31.823 -0.177 0.000 0.999 262 V HN 0.705 nan 8.190 nan 0.000 0.439 263 L N 5.223 126.525 121.223 0.132 0.000 2.255 263 L HA 0.639 4.979 4.340 -0.000 0.000 0.289 263 L C 0.622 177.533 176.870 0.068 0.000 1.046 263 L CA 0.158 55.104 54.840 0.177 0.000 0.816 263 L CB 0.901 43.106 42.059 0.242 0.000 1.197 263 L HN 0.765 nan 8.230 nan 0.000 0.427 264 G N 6.528 115.343 108.800 0.026 0.000 2.338 264 G HA2 0.362 4.322 3.960 -0.000 0.000 0.295 264 G HA3 0.362 4.322 3.960 -0.000 0.000 0.295 264 G C -0.023 175.013 174.900 0.226 0.000 1.132 264 G CA -0.588 44.581 45.100 0.116 0.000 0.922 264 G HN 0.513 nan 8.290 nan 0.000 0.427 265 I N 3.106 123.755 120.570 0.132 0.000 2.436 265 I HA 0.149 4.319 4.170 -0.000 0.000 0.289 265 I C -0.130 176.033 176.117 0.077 0.000 1.083 265 I CA -0.633 60.722 61.300 0.093 0.000 1.372 265 I CB 0.931 38.950 38.000 0.032 0.000 1.408 265 I HN 0.212 nan 8.210 nan 0.000 0.516 266 L N 7.878 129.130 121.223 0.049 0.000 2.316 266 L HA 0.405 4.745 4.340 -0.000 0.000 0.280 266 L C 0.024 176.853 176.870 -0.067 0.000 1.006 266 L CA -0.371 54.431 54.840 -0.064 0.000 0.836 266 L CB 0.967 42.855 42.059 -0.286 0.000 1.221 266 L HN 0.480 nan 8.230 nan 0.000 0.418 267 K N 3.520 123.871 120.400 -0.082 0.000 2.298 267 K HA 0.360 4.680 4.320 -0.000 0.000 0.280 267 K C 1.115 177.684 176.600 -0.052 0.000 1.032 267 K CA 0.494 56.705 56.287 -0.126 0.000 0.958 267 K CB 1.530 33.858 32.500 -0.288 0.000 0.978 267 K HN 0.843 nan 8.250 nan 0.000 0.472 268 A N 4.215 127.079 122.820 0.073 0.000 2.186 268 A HA -0.106 4.214 4.320 -0.000 0.000 0.219 268 A C -0.005 177.862 177.584 0.471 0.000 1.159 268 A CA 1.198 53.437 52.037 0.337 0.000 0.680 268 A CB -0.634 18.657 19.000 0.485 0.000 0.787 268 A HN 0.747 nan 8.150 nan 0.000 0.467 269 Y N -4.580 115.866 120.300 0.244 0.000 2.728 269 Y HA 0.747 5.297 4.550 -0.000 0.000 0.330 269 Y C -0.305 175.739 175.900 0.240 0.000 1.234 269 Y CA -1.502 56.752 58.100 0.258 0.000 1.070 269 Y CB 0.349 38.905 38.460 0.160 0.000 1.300 269 Y HN -0.181 nan 8.280 nan 0.000 0.467 270 S N 0.504 116.443 115.700 0.399 0.000 2.537 270 S HA 0.793 5.263 4.470 -0.000 0.000 0.301 270 S C -0.750 174.074 174.600 0.373 0.000 1.092 270 S CA -0.381 58.039 58.200 0.367 0.000 1.048 270 S CB 1.524 65.109 63.200 0.643 0.000 1.053 270 S HN 0.917 nan 8.310 nan 0.000 0.501 271 T N -0.217 114.429 114.554 0.154 0.000 2.900 271 T HA 0.771 5.121 4.350 -0.000 0.000 0.303 271 T C -0.959 173.636 174.700 -0.174 0.000 1.142 271 T CA -1.023 61.122 62.100 0.075 0.000 1.007 271 T CB 1.808 70.702 68.868 0.043 0.000 1.156 271 T HN 0.664 nan 8.240 nan 0.000 0.490 272 R N 0.879 121.239 120.500 -0.233 0.000 2.548 272 R HA 0.680 5.020 4.340 -0.000 0.000 0.280 272 R C -2.149 174.036 176.300 -0.191 0.000 1.061 272 R CA -0.825 55.036 56.100 -0.397 0.000 0.915 272 R CB 2.261 31.954 30.300 -1.011 0.000 1.210 272 R HN 0.692 nan 8.270 nan 0.000 0.442 273 V N 4.908 124.746 119.914 -0.127 0.000 2.407 273 V HA 0.933 5.053 4.120 -0.000 0.000 0.291 273 V C -0.394 175.659 176.094 -0.067 0.000 1.018 273 V CA 0.854 63.108 62.300 -0.076 0.000 0.842 273 V CB 0.955 32.759 31.823 -0.031 0.000 0.996 273 V HN 1.107 nan 8.190 nan 0.000 0.426 274 G N 4.638 113.397 108.800 -0.069 0.000 2.459 274 G HA2 0.496 4.456 3.960 -0.000 0.000 0.685 274 G HA3 0.496 4.456 3.960 -0.000 0.000 0.685 274 G C -0.287 174.557 174.900 -0.093 0.000 1.303 274 G CA -0.192 44.880 45.100 -0.046 0.000 0.907 274 G HN 1.866 nan 8.290 nan 0.000 0.632 275 A N -0.592 122.184 122.820 -0.074 0.000 2.346 275 A HA 1.122 5.442 4.320 -0.000 0.000 0.252 275 A C 1.264 178.623 177.584 -0.374 0.000 1.089 275 A CA 1.287 53.191 52.037 -0.221 0.000 0.797 275 A CB 0.618 19.477 19.000 -0.235 0.000 1.047 275 A HN 2.944 nan 8.150 nan 0.000 0.494 276 G N -0.392 108.050 108.800 -0.596 0.000 2.334 276 G HA2 0.329 4.289 3.960 -0.000 0.000 0.566 276 G HA3 0.329 4.289 3.960 -0.000 0.000 0.566 276 G C -3.312 171.363 174.900 -0.375 0.000 1.413 276 G CA -0.400 44.363 45.100 -0.561 0.000 0.993 276 G HN 0.809 nan 8.290 nan 0.000 0.642 277 P HA 0.445 nan 4.420 nan 0.000 0.268 277 P C -1.056 176.124 177.300 -0.200 0.000 1.204 277 P CA 0.097 63.065 63.100 -0.221 0.000 0.768 277 P CB 0.698 32.201 31.700 -0.328 0.000 0.842 278 F N 5.611 125.429 119.950 -0.221 0.000 3.167 278 F HA 0.315 4.842 4.527 -0.000 0.000 0.389 278 F C -2.162 173.630 175.800 -0.014 0.000 1.233 278 F CA -2.995 54.843 58.000 -0.270 0.000 1.238 278 F CB 0.516 39.237 39.000 -0.465 0.000 1.971 278 F HN 0.100 nan 8.300 nan 0.000 0.651 279 P HA -0.179 nan 4.420 nan 0.000 0.215 279 P C 1.421 178.848 177.300 0.213 0.000 1.163 279 P CA 2.417 65.664 63.100 0.245 0.000 0.894 279 P CB 0.114 31.912 31.700 0.164 0.000 0.791 280 T N -3.744 111.018 114.554 0.346 0.000 3.235 280 T HA 0.087 4.437 4.350 -0.000 0.000 0.251 280 T C 0.446 175.074 174.700 -0.119 0.000 1.060 280 T CA -0.403 61.908 62.100 0.353 0.000 0.949 280 T CB -0.879 68.380 68.868 0.651 0.000 1.020 280 T HN 0.144 nan 8.240 nan 0.000 0.564 281 E N 1.410 121.195 120.200 -0.691 0.000 2.415 281 E HA 0.215 4.565 4.350 -0.000 0.000 0.263 281 E C -0.746 175.414 176.600 -0.733 0.000 0.995 281 E CA -0.261 55.368 56.400 -1.284 0.000 0.915 281 E CB 0.336 29.197 29.700 -1.399 0.000 0.951 281 E HN 0.493 nan 8.360 nan 0.000 0.449 282 L N 5.383 126.138 121.223 -0.779 0.000 2.307 282 L HA 0.288 4.628 4.340 -0.000 0.000 0.284 282 L C -0.216 176.281 176.870 -0.622 0.000 1.023 282 L CA -0.613 53.919 54.840 -0.513 0.000 0.810 282 L CB 0.836 42.606 42.059 -0.481 0.000 1.231 282 L HN 0.730 nan 8.230 nan 0.000 0.423 283 F N -0.555 119.298 119.950 -0.161 0.000 2.661 283 F HA 0.101 4.628 4.527 -0.000 0.000 0.306 283 F C 0.894 176.635 175.800 -0.098 0.000 1.094 283 F CA -0.910 57.015 58.000 -0.126 0.000 1.254 283 F CB 0.057 38.997 39.000 -0.100 0.000 1.040 283 F HN 0.491 nan 8.300 nan 0.000 0.562 284 D N -0.596 119.825 120.400 0.035 0.000 2.496 284 D HA 0.067 4.707 4.640 -0.000 0.000 0.283 284 D C 1.362 177.639 176.300 -0.038 0.000 1.214 284 D CA -0.254 53.750 54.000 0.007 0.000 1.089 284 D CB 0.149 40.951 40.800 0.003 0.000 1.141 284 D HN -0.110 nan 8.370 nan 0.000 0.580 285 E N -0.507 119.671 120.200 -0.037 0.000 2.077 285 E HA -0.124 4.226 4.350 -0.000 0.000 0.193 285 E C 2.073 178.641 176.600 -0.052 0.000 0.989 285 E CA 1.454 57.831 56.400 -0.038 0.000 0.800 285 E CB -1.148 28.527 29.700 -0.043 0.000 0.746 285 E HN 0.559 nan 8.360 nan 0.000 0.452 286 T N 1.059 115.547 114.554 -0.109 0.000 2.720 286 T HA -0.114 4.236 4.350 -0.000 0.000 0.268 286 T C 1.975 176.548 174.700 -0.211 0.000 1.037 286 T CA 1.584 63.579 62.100 -0.177 0.000 1.144 286 T CB -0.668 68.034 68.868 -0.277 0.000 0.864 286 T HN 0.429 nan 8.240 nan 0.000 0.444 287 G N 1.505 110.148 108.800 -0.261 0.000 2.446 287 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.217 287 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.217 287 G C 1.475 176.251 174.900 -0.207 0.000 1.168 287 G CA 1.347 46.267 45.100 -0.301 0.000 0.771 287 G HN 0.556 nan 8.290 nan 0.000 0.551 288 E N 0.277 120.402 120.200 -0.125 0.000 2.118 288 E HA -0.173 4.177 4.350 -0.000 0.000 0.195 288 E C 2.000 178.560 176.600 -0.066 0.000 0.992 288 E CA 1.094 57.445 56.400 -0.081 0.000 0.804 288 E CB -0.674 29.006 29.700 -0.032 0.000 0.741 288 E HN 0.365 nan 8.360 nan 0.000 0.458 289 F N 0.768 120.606 119.950 -0.187 0.000 2.095 289 F HA -0.118 4.409 4.527 0.000 0.000 0.298 289 F C 1.916 177.572 175.800 -0.240 0.000 1.104 289 F CA 1.742 59.629 58.000 -0.189 0.000 1.232 289 F CB -0.384 38.493 39.000 -0.206 0.000 0.987 289 F HN 0.073 nan 8.300 nan 0.000 0.475 290 L N -0.603 120.419 121.223 -0.334 0.000 2.012 290 L HA -0.301 4.039 4.340 -0.000 0.000 0.210 290 L C 2.897 179.504 176.870 -0.439 0.000 1.073 290 L CA 1.554 56.051 54.840 -0.572 0.000 0.748 290 L CB -1.198 40.505 42.059 -0.594 0.000 0.891 290 L HN 0.448 nan 8.230 nan 0.000 0.431 291 C N 0.409 119.534 119.300 -0.291 0.000 2.393 291 C HA -0.243 4.217 4.460 -0.000 0.000 0.276 291 C C 3.033 177.918 174.990 -0.175 0.000 1.215 291 C CA 1.676 60.554 59.018 -0.233 0.000 1.743 291 C CB -0.611 26.983 27.740 -0.244 0.000 2.044 291 C HN 0.483 nan 8.230 nan 0.000 0.464 292 K N -0.492 119.804 120.400 -0.173 0.000 1.985 292 K HA -0.172 4.148 4.320 -0.000 0.000 0.210 292 K C 2.325 178.815 176.600 -0.183 0.000 1.047 292 K CA 1.661 57.884 56.287 -0.108 0.000 0.932 292 K CB -0.375 32.059 32.500 -0.110 0.000 0.716 292 K HN 0.445 nan 8.250 nan 0.000 0.439 293 Q N -0.360 119.187 119.800 -0.421 0.000 2.135 293 Q HA -0.096 4.244 4.340 -0.000 0.000 0.204 293 Q C 1.958 177.833 176.000 -0.209 0.000 0.981 293 Q CA 1.764 57.314 55.803 -0.422 0.000 0.856 293 Q CB -0.342 27.898 28.738 -0.830 0.000 0.902 293 Q HN 0.545 nan 8.270 nan 0.000 0.425 294 G N 0.538 109.228 108.800 -0.183 0.000 3.088 294 G HA2 -0.097 3.863 3.960 -0.000 0.000 0.212 294 G HA3 -0.097 3.863 3.960 -0.000 0.000 0.212 294 G C 0.336 175.289 174.900 0.087 0.000 1.173 294 G CA 0.028 45.144 45.100 0.027 0.000 0.779 294 G HN 0.612 nan 8.290 nan 0.000 0.540 295 N N 0.530 119.274 118.700 0.075 0.000 2.705 295 N HA -0.155 4.585 4.740 -0.000 0.000 0.255 295 N C -0.745 174.910 175.510 0.241 0.000 1.008 295 N CA -0.015 53.157 53.050 0.203 0.000 0.742 295 N CB -0.271 38.311 38.487 0.159 0.000 0.906 295 N HN 0.193 nan 8.380 nan 0.000 0.541 296 E N 1.272 121.495 120.200 0.038 0.000 1.865 296 E HA 0.130 4.480 4.350 -0.000 0.000 0.269 296 E C -0.890 175.404 176.600 -0.510 0.000 1.177 296 E CA 0.463 56.784 56.400 -0.131 0.000 0.932 296 E CB -0.197 29.416 29.700 -0.145 0.000 1.066 296 E HN 0.272 nan 8.360 nan 0.000 0.405 297 F N -0.413 119.557 119.950 0.033 0.000 2.573 297 F HA 0.287 4.814 4.527 0.000 0.000 0.316 297 F C 1.031 176.853 175.800 0.036 0.000 1.148 297 F CA -1.168 56.848 58.000 0.026 0.000 0.940 297 F CB 1.626 40.637 39.000 0.018 0.000 1.214 297 F HN 0.274 nan 8.300 nan 0.000 0.448 298 G N 1.514 110.408 108.800 0.157 0.000 2.093 298 G HA2 0.195 4.155 3.960 -0.000 0.000 0.257 298 G HA3 0.195 4.155 3.960 -0.000 0.000 0.257 298 G C 0.896 175.882 174.900 0.142 0.000 1.004 298 G CA 0.320 45.492 45.100 0.120 0.000 0.949 298 G HN 1.057 nan 8.290 nan 0.000 0.400 299 A N 2.730 125.632 122.820 0.137 0.000 2.259 299 A HA 0.085 4.405 4.320 -0.000 0.000 0.212 299 A C 2.159 179.865 177.584 0.204 0.000 1.178 299 A CA 1.963 54.086 52.037 0.144 0.000 0.734 299 A CB -0.001 19.068 19.000 0.116 0.000 0.774 299 A HN 0.597 nan 8.150 nan 0.000 0.481 300 T N -1.944 112.716 114.554 0.177 0.000 3.056 300 T HA 0.020 4.370 4.350 -0.000 0.000 0.243 300 T C 1.932 176.663 174.700 0.052 0.000 0.995 300 T CA 1.309 63.504 62.100 0.159 0.000 1.091 300 T CB 0.098 69.025 68.868 0.100 0.000 0.990 300 T HN 0.669 nan 8.240 nan 0.000 0.464 301 T N -1.249 113.338 114.554 0.055 0.000 3.001 301 T HA 0.426 4.776 4.350 -0.000 0.000 0.251 301 T C 1.885 176.623 174.700 0.065 0.000 1.040 301 T CA 0.896 63.018 62.100 0.036 0.000 0.985 301 T CB 0.158 69.040 68.868 0.023 0.000 1.011 301 T HN 0.483 nan 8.240 nan 0.000 0.509 302 G N 2.169 111.032 108.800 0.104 0.000 2.189 302 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.267 302 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.267 302 G C 0.220 175.249 174.900 0.215 0.000 0.975 302 G CA 0.132 45.318 45.100 0.142 0.000 0.644 302 G HN 0.694 nan 8.290 nan 0.000 0.537 303 R N 0.249 120.843 120.500 0.155 0.000 2.590 303 R HA 0.302 4.642 4.340 -0.000 0.000 0.274 303 R C 1.077 177.464 176.300 0.145 0.000 1.061 303 R CA -0.388 55.795 56.100 0.139 0.000 1.081 303 R CB 0.476 30.811 30.300 0.059 0.000 0.984 303 R HN 0.392 nan 8.270 nan 0.000 0.448 304 R N 2.880 123.449 120.500 0.115 0.000 2.522 304 R HA -0.008 4.332 4.340 -0.000 0.000 0.284 304 R C -0.448 175.711 176.300 -0.235 0.000 1.032 304 R CA 0.202 56.162 56.100 -0.233 0.000 1.049 304 R CB 0.511 30.731 30.300 -0.133 0.000 0.956 304 R HN 0.475 nan 8.270 nan 0.000 0.422 305 R N 3.515 123.807 120.500 -0.346 0.000 2.410 305 R HA 0.193 4.533 4.340 -0.000 0.000 0.288 305 R C -0.107 176.093 176.300 -0.166 0.000 1.051 305 R CA -0.503 55.483 56.100 -0.190 0.000 1.021 305 R CB 0.990 31.205 30.300 -0.143 0.000 1.032 305 R HN 0.549 nan 8.270 nan 0.000 0.481 306 R N 0.723 121.170 120.500 -0.089 0.000 2.490 306 R HA 0.136 4.476 4.340 -0.000 0.000 0.280 306 R C 0.157 176.489 176.300 0.054 0.000 1.077 306 R CA 0.017 56.074 56.100 -0.072 0.000 1.065 306 R CB 0.728 31.029 30.300 0.003 0.000 1.003 306 R HN 0.666 nan 8.270 nan 0.000 0.470 307 T N -1.308 113.174 114.554 -0.120 0.000 2.930 307 T HA 0.861 5.211 4.350 -0.000 0.000 0.290 307 T C 0.153 174.675 174.700 -0.295 0.000 1.052 307 T CA -0.717 61.359 62.100 -0.040 0.000 1.017 307 T CB 2.349 71.144 68.868 -0.120 0.000 1.137 307 T HN 0.710 nan 8.240 nan 0.000 0.511 308 G N -0.755 108.005 108.800 -0.066 0.000 2.441 308 G HA2 0.471 4.431 3.960 -0.000 0.000 0.294 308 G HA3 0.471 4.431 3.960 -0.000 0.000 0.294 308 G C -1.845 173.094 174.900 0.066 0.000 1.393 308 G CA -1.264 43.695 45.100 -0.234 0.000 0.796 308 G HN 0.767 nan 8.290 nan 0.000 0.494 309 W N -0.626 120.807 121.300 0.223 0.000 2.093 309 W HA 0.509 5.169 4.660 0.000 0.000 0.352 309 W C 0.751 177.511 176.519 0.402 0.000 1.294 309 W CA -0.507 57.011 57.345 0.287 0.000 1.290 309 W CB 0.672 30.270 29.460 0.230 0.000 1.149 309 W HN 0.419 nan 8.180 nan 0.000 0.606 310 L N 2.924 124.551 121.223 0.673 0.000 2.455 310 L HA 0.047 4.387 4.340 -0.000 0.000 0.272 310 L C -0.182 176.953 176.870 0.441 0.000 1.174 310 L CA 0.543 55.663 54.840 0.468 0.000 0.869 310 L CB -0.010 42.269 42.059 0.367 0.000 1.130 310 L HN 0.252 nan 8.230 nan 0.000 0.474 311 D N 3.033 123.662 120.400 0.381 0.000 2.473 311 D HA 0.179 4.819 4.640 -0.000 0.000 0.226 311 D C 0.692 177.099 176.300 0.179 0.000 1.089 311 D CA -0.134 54.081 54.000 0.357 0.000 0.883 311 D CB 1.249 42.352 40.800 0.505 0.000 1.029 311 D HN 0.723 nan 8.370 nan 0.000 0.517 312 T N 1.947 116.570 114.554 0.114 0.000 2.915 312 T HA -0.065 4.285 4.350 -0.000 0.000 0.269 312 T C 1.968 176.650 174.700 -0.030 0.000 1.071 312 T CA 0.640 62.752 62.100 0.021 0.000 1.132 312 T CB 0.321 69.191 68.868 0.005 0.000 0.878 312 T HN 0.266 nan 8.240 nan 0.000 0.479 313 V N 1.612 121.476 119.914 -0.083 0.000 2.270 313 V HA -0.123 3.997 4.120 -0.000 0.000 0.245 313 V C 2.884 178.894 176.094 -0.140 0.000 1.043 313 V CA 1.726 63.868 62.300 -0.263 0.000 1.014 313 V CB -1.179 30.163 31.823 -0.802 0.000 0.645 313 V HN 0.495 nan 8.190 nan 0.000 0.447 314 A N -0.314 122.518 122.820 0.020 0.000 1.933 314 A HA -0.160 4.160 4.320 -0.000 0.000 0.218 314 A C 2.367 179.945 177.584 -0.009 0.000 1.175 314 A CA 2.037 54.133 52.037 0.099 0.000 0.628 314 A CB -0.693 18.427 19.000 0.200 0.000 0.814 314 A HN 0.335 nan 8.150 nan 0.000 0.444 315 V N -0.304 119.603 119.914 -0.012 0.000 2.515 315 V HA -0.222 3.898 4.120 -0.000 0.000 0.250 315 V C 2.585 178.706 176.094 0.045 0.000 1.058 315 V CA 2.090 64.388 62.300 -0.003 0.000 1.064 315 V CB -0.756 31.050 31.823 -0.028 0.000 0.675 315 V HN 0.521 nan 8.190 nan 0.000 0.461 316 R N -0.307 120.200 120.500 0.013 0.000 2.120 316 R HA -0.171 4.169 4.340 -0.000 0.000 0.234 316 R C 2.478 178.765 176.300 -0.021 0.000 1.123 316 R CA 1.398 57.501 56.100 0.005 0.000 0.975 316 R CB -0.256 30.023 30.300 -0.035 0.000 0.866 316 R HN 0.325 nan 8.270 nan 0.000 0.446 317 R N 0.831 121.314 120.500 -0.029 0.000 2.096 317 R HA -0.049 4.291 4.340 -0.000 0.000 0.235 317 R C 1.860 178.135 176.300 -0.042 0.000 1.127 317 R CA 1.801 57.883 56.100 -0.031 0.000 0.968 317 R CB -0.512 29.791 30.300 0.005 0.000 0.861 317 R HN 0.197 nan 8.270 nan 0.000 0.440 318 A N -0.194 122.609 122.820 -0.029 0.000 1.969 318 A HA -0.048 4.272 4.320 -0.000 0.000 0.218 318 A C 2.272 179.828 177.584 -0.047 0.000 1.169 318 A CA 1.503 53.519 52.037 -0.036 0.000 0.635 318 A CB -0.565 18.428 19.000 -0.013 0.000 0.810 318 A HN 0.189 nan 8.150 nan 0.000 0.445 319 V N 1.153 121.050 119.914 -0.028 0.000 2.255 319 V HA -0.373 3.747 4.120 -0.000 0.000 0.247 319 V C 2.893 178.914 176.094 -0.121 0.000 1.051 319 V CA 2.460 64.705 62.300 -0.092 0.000 1.018 319 V CB -1.027 30.761 31.823 -0.059 0.000 0.641 319 V HN 0.921 nan 8.190 nan 0.000 0.445 320 Q N -0.177 119.563 119.800 -0.099 0.000 2.083 320 Q HA -0.136 4.204 4.340 -0.000 0.000 0.198 320 Q C 2.201 178.121 176.000 -0.133 0.000 0.969 320 Q CA 1.748 57.485 55.803 -0.111 0.000 0.838 320 Q CB -0.512 28.170 28.738 -0.093 0.000 0.900 320 Q HN 0.536 nan 8.270 nan 0.000 0.436 321 L N 0.991 122.127 121.223 -0.146 0.000 2.083 321 L HA -0.122 4.218 4.340 -0.000 0.000 0.209 321 L C 1.610 178.378 176.870 -0.170 0.000 1.083 321 L CA 0.968 55.688 54.840 -0.201 0.000 0.752 321 L CB -0.359 41.558 42.059 -0.236 0.000 0.899 321 L HN 0.377 nan 8.230 nan 0.000 0.433 322 N N -0.504 118.111 118.700 -0.141 0.000 2.236 322 N HA -0.008 4.732 4.740 -0.000 0.000 0.196 322 N C 0.440 175.854 175.510 -0.159 0.000 1.114 322 N CA 0.842 53.811 53.050 -0.134 0.000 0.859 322 N CB 0.432 38.855 38.487 -0.108 0.000 0.982 322 N HN 0.262 nan 8.380 nan 0.000 0.493 323 S N 0.228 115.829 115.700 -0.165 0.000 3.524 323 S HA -0.213 4.257 4.470 -0.000 0.000 0.377 323 S C 0.234 174.693 174.600 -0.233 0.000 0.949 323 S CA 0.173 58.265 58.200 -0.180 0.000 1.264 323 S CB -2.554 60.550 63.200 -0.160 0.000 0.918 323 S HN 0.318 nan 8.310 nan 0.000 0.517 324 L N 0.988 122.049 121.223 -0.271 0.000 2.485 324 L HA 0.138 4.478 4.340 -0.000 0.000 0.275 324 L C 1.590 178.185 176.870 -0.459 0.000 1.207 324 L CA 0.145 54.759 54.840 -0.377 0.000 0.855 324 L CB 0.510 42.284 42.059 -0.476 0.000 1.114 324 L HN 0.549 nan 8.230 nan 0.000 0.485 325 S N 0.796 116.120 115.700 -0.627 0.000 2.483 325 S HA 0.269 4.739 4.470 -0.000 0.000 0.221 325 S C 0.483 174.688 174.600 -0.659 0.000 1.030 325 S CA 0.417 58.151 58.200 -0.777 0.000 0.925 325 S CB 0.806 63.123 63.200 -1.473 0.000 0.795 325 S HN 0.901 nan 8.310 nan 0.000 0.511 326 G N 0.132 108.575 108.800 -0.595 0.000 2.523 326 G HA2 0.558 4.518 3.960 -0.000 0.000 0.291 326 G HA3 0.558 4.518 3.960 -0.000 0.000 0.291 326 G C -1.870 172.867 174.900 -0.271 0.000 1.450 326 G CA -0.746 44.171 45.100 -0.304 0.000 0.790 326 G HN 0.068 nan 8.290 nan 0.000 0.496 327 F N -0.658 119.301 119.950 0.016 0.000 2.541 327 F HA 0.702 5.229 4.527 -0.000 0.000 0.331 327 F C 0.416 176.234 175.800 0.031 0.000 1.057 327 F CA -1.060 56.948 58.000 0.013 0.000 0.975 327 F CB 2.334 41.330 39.000 -0.007 0.000 1.246 327 F HN 0.547 nan 8.300 nan 0.000 0.484 328 C N 4.350 123.810 119.300 0.266 0.000 2.356 328 C HA 0.664 5.124 4.460 -0.000 0.000 0.324 328 C C -0.997 174.054 174.990 0.101 0.000 1.167 328 C CA -0.864 58.237 59.018 0.139 0.000 1.420 328 C CB -0.795 26.999 27.740 0.090 0.000 2.036 328 C HN 0.693 nan 8.230 nan 0.000 0.435 329 L N 7.420 128.689 121.223 0.076 0.000 2.315 329 L HA 0.550 4.890 4.340 -0.000 0.000 0.283 329 L C 0.718 177.625 176.870 0.062 0.000 1.089 329 L CA 1.052 55.919 54.840 0.045 0.000 0.833 329 L CB 0.958 43.045 42.059 0.047 0.000 1.170 329 L HN 0.882 nan 8.230 nan 0.000 0.442 330 T N 1.120 115.704 114.554 0.051 0.000 2.918 330 T HA 0.495 4.845 4.350 -0.000 0.000 0.286 330 T C 0.094 174.853 174.700 0.097 0.000 1.026 330 T CA -0.718 61.416 62.100 0.056 0.000 1.031 330 T CB 1.197 70.079 68.868 0.022 0.000 1.046 330 T HN 0.625 nan 8.240 nan 0.000 0.479 331 K N 0.213 120.688 120.400 0.124 0.000 3.071 331 K HA -0.163 4.157 4.320 -0.000 0.000 0.265 331 K C 0.679 177.458 176.600 0.299 0.000 1.060 331 K CA 0.522 56.936 56.287 0.211 0.000 0.767 331 K CB -1.804 30.842 32.500 0.243 0.000 1.241 331 K HN 0.556 nan 8.250 nan 0.000 0.486 332 L N 1.727 123.109 121.223 0.266 0.000 2.141 332 L HA -0.157 4.183 4.340 -0.000 0.000 0.209 332 L C 2.170 179.274 176.870 0.390 0.000 1.094 332 L CA 2.351 57.402 54.840 0.352 0.000 0.763 332 L CB -0.204 42.023 42.059 0.280 0.000 0.908 332 L HN 0.381 nan 8.230 nan 0.000 0.437 333 D N -1.221 119.363 120.400 0.307 0.000 2.263 333 D HA -0.162 4.478 4.640 -0.000 0.000 0.208 333 D C 1.848 178.323 176.300 0.291 0.000 0.971 333 D CA 1.270 55.469 54.000 0.331 0.000 0.867 333 D CB -0.512 40.489 40.800 0.334 0.000 0.929 333 D HN 0.360 nan 8.370 nan 0.000 0.492 334 V N 0.933 120.993 119.914 0.245 0.000 2.970 334 V HA -0.118 4.002 4.120 -0.000 0.000 0.260 334 V C 2.414 178.533 176.094 0.041 0.000 1.100 334 V CA 0.783 63.141 62.300 0.097 0.000 1.122 334 V CB -0.429 31.448 31.823 0.089 0.000 0.721 334 V HN 0.240 nan 8.190 nan 0.000 0.483 335 L N -0.913 120.383 121.223 0.121 0.000 2.558 335 L HA 0.149 4.489 4.340 -0.000 0.000 0.225 335 L C 0.257 177.008 176.870 -0.197 0.000 1.128 335 L CA -0.100 54.722 54.840 -0.031 0.000 0.868 335 L CB -0.331 41.632 42.059 -0.159 0.000 1.006 335 L HN 0.266 nan 8.230 nan 0.000 0.454 336 D N 1.391 121.815 120.400 0.039 0.000 2.493 336 D HA 0.230 4.870 4.640 -0.000 0.000 0.240 336 D C 1.271 177.564 176.300 -0.012 0.000 1.142 336 D CA 1.404 55.422 54.000 0.030 0.000 0.872 336 D CB 1.068 42.024 40.800 0.260 0.000 1.173 336 D HN 0.289 nan 8.370 nan 0.000 0.467 337 G N 1.650 110.366 108.800 -0.141 0.000 2.194 337 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.236 337 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.236 337 G C 0.302 175.032 174.900 -0.283 0.000 0.987 337 G CA -0.384 44.642 45.100 -0.123 0.000 0.635 337 G HN 0.465 nan 8.290 nan 0.000 0.520 338 L N 0.394 121.379 121.223 -0.397 0.000 2.349 338 L HA 0.409 4.749 4.340 -0.000 0.000 0.275 338 L C 1.783 178.462 176.870 -0.319 0.000 1.115 338 L CA -0.537 54.050 54.840 -0.423 0.000 0.820 338 L CB 1.223 43.050 42.059 -0.386 0.000 1.135 338 L HN 0.051 nan 8.230 nan 0.000 0.445 339 K N 1.915 122.171 120.400 -0.239 0.000 2.057 339 K HA -0.102 4.218 4.320 -0.000 0.000 0.207 339 K C -0.007 176.503 176.600 -0.149 0.000 1.049 339 K CA 1.310 57.500 56.287 -0.160 0.000 0.931 339 K CB 0.250 32.675 32.500 -0.125 0.000 0.714 339 K HN 0.742 nan 8.250 nan 0.000 0.440 340 E N -1.463 118.639 120.200 -0.163 0.000 2.413 340 E HA 0.449 4.799 4.350 -0.000 0.000 0.277 340 E C -1.272 175.200 176.600 -0.214 0.000 0.958 340 E CA -1.186 55.111 56.400 -0.171 0.000 0.779 340 E CB 1.881 31.494 29.700 -0.144 0.000 1.278 340 E HN -0.110 nan 8.360 nan 0.000 0.456 341 V N -1.583 118.151 119.914 -0.300 0.000 2.823 341 V HA 0.726 4.846 4.120 -0.000 0.000 0.312 341 V C -0.962 174.736 176.094 -0.660 0.000 1.072 341 V CA -0.929 61.108 62.300 -0.439 0.000 0.937 341 V CB 1.683 33.291 31.823 -0.359 0.000 1.013 341 V HN 0.715 nan 8.190 nan 0.000 0.430 342 K N 3.912 123.523 120.400 -1.315 0.000 2.385 342 K HA 0.847 5.167 4.320 -0.000 0.000 0.248 342 K C -1.329 175.076 176.600 -0.326 0.000 0.955 342 K CA -0.810 54.893 56.287 -0.974 0.000 0.816 342 K CB 2.596 34.067 32.500 -1.715 0.000 1.250 342 K HN 0.901 nan 8.250 nan 0.000 0.434 343 L N -1.068 120.179 121.223 0.040 0.000 2.438 343 L HA 0.548 4.888 4.340 -0.000 0.000 0.270 343 L C -0.465 176.593 176.870 0.312 0.000 0.972 343 L CA -1.087 53.908 54.840 0.258 0.000 0.831 343 L CB 1.508 43.683 42.059 0.194 0.000 1.273 343 L HN 0.692 nan 8.230 nan 0.000 0.405 344 C N 3.813 123.339 119.300 0.375 0.000 2.648 344 C HA 0.379 4.839 4.460 -0.000 0.000 0.419 344 C C 1.703 176.747 174.990 0.089 0.000 1.352 344 C CA 0.488 59.604 59.018 0.164 0.000 1.816 344 C CB 0.243 28.093 27.740 0.184 0.000 2.598 344 C HN 0.794 nan 8.230 nan 0.000 0.598 345 V N 3.375 123.304 119.914 0.026 0.000 3.556 345 V HA 0.651 4.771 4.120 -0.000 0.000 0.287 345 V C 0.523 176.584 176.094 -0.055 0.000 1.422 345 V CA 0.774 63.069 62.300 -0.008 0.000 1.038 345 V CB -0.863 30.964 31.823 0.007 0.000 0.850 345 V HN 1.356 nan 8.190 nan 0.000 0.437 346 A N -0.821 121.969 122.820 -0.050 0.000 2.601 346 A HA 0.808 5.128 4.320 -0.000 0.000 0.291 346 A C -2.075 175.566 177.584 0.096 0.000 1.075 346 A CA -0.484 51.516 52.037 -0.062 0.000 0.671 346 A CB 1.201 20.185 19.000 -0.026 0.000 1.277 346 A HN 0.165 nan 8.150 nan 0.000 0.417 347 Y N -0.053 120.214 120.300 -0.056 0.000 2.429 347 Y HA 0.747 5.297 4.550 -0.000 0.000 0.342 347 Y C 0.372 176.243 175.900 -0.047 0.000 1.004 347 Y CA -1.249 56.817 58.100 -0.056 0.000 1.075 347 Y CB 1.898 40.316 38.460 -0.070 0.000 1.214 347 Y HN 0.741 nan 8.280 nan 0.000 0.455 348 R N 3.401 123.965 120.500 0.107 0.000 2.215 348 R HA 0.403 4.743 4.340 -0.000 0.000 0.337 348 R C -0.780 175.537 176.300 0.028 0.000 1.010 348 R CA -0.449 55.680 56.100 0.048 0.000 0.871 348 R CB 0.052 30.367 30.300 0.025 0.000 1.134 348 R HN 0.477 nan 8.270 nan 0.000 0.477 349 M N 5.881 125.499 119.600 0.030 0.000 2.232 349 M HA 0.203 4.683 4.480 -0.000 0.000 0.321 349 M C -1.380 174.925 176.300 0.009 0.000 1.101 349 M CA -2.465 52.843 55.300 0.013 0.000 1.181 349 M CB 0.202 32.809 32.600 0.012 0.000 1.432 349 M HN 0.362 nan 8.290 nan 0.000 0.457 350 P HA -0.143 nan 4.420 nan 0.000 0.221 350 P C 0.509 177.816 177.300 0.012 0.000 1.145 350 P CA 1.216 64.323 63.100 0.012 0.000 0.795 350 P CB 0.023 31.733 31.700 0.017 0.000 0.775 351 D N -2.105 118.302 120.400 0.011 0.000 2.339 351 D HA 0.080 4.720 4.640 -0.000 0.000 0.217 351 D C 1.411 177.717 176.300 0.009 0.000 1.050 351 D CA 0.607 54.613 54.000 0.010 0.000 0.856 351 D CB -0.542 40.264 40.800 0.010 0.000 0.922 351 D HN 0.215 nan 8.370 nan 0.000 0.518 352 G N 0.555 109.362 108.800 0.010 0.000 2.213 352 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.226 352 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.226 352 G C 0.350 175.256 174.900 0.011 0.000 0.992 352 G CA -0.172 44.934 45.100 0.011 0.000 0.632 352 G HN 0.433 nan 8.290 nan 0.000 0.511 353 R N 1.087 121.593 120.500 0.010 0.000 2.594 353 R HA 0.454 4.794 4.340 -0.000 0.000 0.272 353 R C 0.264 176.572 176.300 0.014 0.000 1.074 353 R CA 0.129 56.234 56.100 0.009 0.000 1.105 353 R CB 0.671 30.974 30.300 0.005 0.000 1.008 353 R HN 0.470 nan 8.270 nan 0.000 0.472 354 E N 2.747 122.953 120.200 0.010 0.000 2.134 354 E HA 0.324 4.673 4.350 -0.000 0.000 0.278 354 E C -1.019 175.582 176.600 0.002 0.000 0.959 354 E CA -0.777 55.631 56.400 0.013 0.000 0.783 354 E CB 1.197 30.901 29.700 0.007 0.000 1.095 354 E HN 0.401 nan 8.360 nan 0.000 0.399 355 V N 1.410 121.327 119.914 0.004 0.000 3.040 355 V HA 0.583 4.702 4.120 -0.000 0.000 0.312 355 V C 0.200 176.242 176.094 -0.087 0.000 1.115 355 V CA -0.190 62.091 62.300 -0.032 0.000 0.998 355 V CB 1.643 33.450 31.823 -0.027 0.000 1.042 355 V HN 0.752 nan 8.190 nan 0.000 0.433 356 T N -1.965 112.518 114.554 -0.119 0.000 3.174 356 T HA 0.331 4.681 4.350 -0.000 0.000 0.269 356 T C 0.448 175.017 174.700 -0.218 0.000 1.017 356 T CA 0.344 62.338 62.100 -0.177 0.000 0.899 356 T CB -0.226 68.573 68.868 -0.115 0.000 1.077 356 T HN 0.915 nan 8.240 nan 0.000 0.552 357 T N 2.687 117.117 114.554 -0.207 0.000 2.908 357 T HA 0.605 4.955 4.350 -0.000 0.000 0.290 357 T C -0.218 174.345 174.700 -0.228 0.000 1.034 357 T CA -0.388 61.601 62.100 -0.186 0.000 1.010 357 T CB 1.710 70.513 68.868 -0.108 0.000 1.068 357 T HN 0.472 nan 8.240 nan 0.000 0.481 358 T N 2.520 116.953 114.554 -0.202 0.000 2.922 358 T HA 0.681 5.031 4.350 -0.000 0.000 0.285 358 T C -2.636 171.889 174.700 -0.291 0.000 1.005 358 T CA -1.610 60.339 62.100 -0.253 0.000 1.061 358 T CB 0.824 69.607 68.868 -0.141 0.000 1.007 358 T HN 0.300 nan 8.240 nan 0.000 0.502 359 P HA 0.293 nan 4.420 nan 0.000 0.276 359 P C 0.495 177.720 177.300 -0.124 0.000 1.252 359 P CA -0.823 61.986 63.100 -0.484 0.000 0.802 359 P CB 0.622 31.803 31.700 -0.864 0.000 1.035 360 L N 0.495 121.809 121.223 0.152 0.000 2.140 360 L HA 0.245 4.585 4.340 -0.000 0.000 0.201 360 L C 1.122 178.339 176.870 0.578 0.000 1.191 360 L CA 0.808 55.858 54.840 0.351 0.000 0.825 360 L CB -1.775 40.402 42.059 0.196 0.000 0.970 360 L HN 0.361 nan 8.230 nan 0.000 0.477 361 A N -0.520 122.539 122.820 0.399 0.000 2.483 361 A HA 0.349 4.669 4.320 -0.000 0.000 0.238 361 A C 1.437 179.325 177.584 0.507 0.000 1.070 361 A CA 0.550 52.826 52.037 0.398 0.000 0.770 361 A CB 0.243 19.418 19.000 0.291 0.000 1.008 361 A HN 0.547 nan 8.150 nan 0.000 0.497 362 A N 1.735 124.767 122.820 0.354 0.000 1.896 362 A HA -0.265 4.055 4.320 -0.000 0.000 0.220 362 A C 1.671 179.467 177.584 0.354 0.000 1.206 362 A CA 2.472 54.667 52.037 0.264 0.000 0.647 362 A CB -0.924 18.266 19.000 0.317 0.000 0.828 362 A HN 0.843 nan 8.150 nan 0.000 0.455 363 D N 0.259 120.837 120.400 0.296 0.000 2.149 363 D HA -0.153 4.487 4.640 -0.000 0.000 0.194 363 D C 1.280 177.731 176.300 0.251 0.000 1.001 363 D CA 1.574 55.716 54.000 0.236 0.000 0.849 363 D CB -0.487 40.425 40.800 0.186 0.000 0.939 363 D HN 0.503 nan 8.370 nan 0.000 0.449 364 D N -0.983 119.597 120.400 0.299 0.000 2.350 364 D HA -0.111 4.529 4.640 -0.000 0.000 0.216 364 D C 1.336 177.765 176.300 0.215 0.000 0.968 364 D CA 0.330 54.462 54.000 0.220 0.000 0.894 364 D CB -0.209 40.689 40.800 0.164 0.000 0.909 364 D HN 0.432 nan 8.370 nan 0.000 0.520 365 W N 1.655 123.009 121.300 0.090 0.000 3.256 365 W HA 0.139 4.799 4.660 0.000 0.000 0.269 365 W C 1.062 177.597 176.519 0.026 0.000 1.310 365 W CA -0.551 56.831 57.345 0.063 0.000 1.673 365 W CB -0.111 29.403 29.460 0.091 0.000 1.115 365 W HN -0.268 nan 8.180 nan 0.000 0.686 366 K N 0.607 121.149 120.400 0.236 0.000 2.451 366 K HA 0.272 4.592 4.320 -0.000 0.000 0.280 366 K C 1.398 178.049 176.600 0.084 0.000 1.020 366 K CA 1.178 57.547 56.287 0.138 0.000 1.008 366 K CB 0.258 32.825 32.500 0.112 0.000 0.917 366 K HN 0.199 nan 8.250 nan 0.000 0.478 367 G N 2.062 110.898 108.800 0.060 0.000 2.184 367 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.264 367 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.264 367 G C 0.064 174.971 174.900 0.012 0.000 0.975 367 G CA 0.248 45.368 45.100 0.033 0.000 0.642 367 G HN 0.525 nan 8.290 nan 0.000 0.536 368 V N 1.565 121.481 119.914 0.002 0.000 2.572 368 V HA 0.406 4.526 4.120 -0.000 0.000 0.291 368 V C 0.366 176.397 176.094 -0.104 0.000 1.039 368 V CA 0.075 62.326 62.300 -0.082 0.000 1.055 368 V CB 1.486 33.196 31.823 -0.187 0.000 0.969 368 V HN 0.319 nan 8.190 nan 0.000 0.482 369 E N 6.427 126.568 120.200 -0.098 0.000 2.195 369 E HA 0.451 4.801 4.350 -0.000 0.000 0.271 369 E C -2.583 173.962 176.600 -0.091 0.000 0.923 369 E CA -2.087 54.274 56.400 -0.066 0.000 0.790 369 E CB 2.304 31.996 29.700 -0.012 0.000 1.155 369 E HN 0.403 nan 8.360 nan 0.000 0.402 370 P HA 0.361 nan 4.420 nan 0.000 0.284 370 P C -0.285 176.826 177.300 -0.315 0.000 1.253 370 P CA -0.312 62.670 63.100 -0.197 0.000 0.800 370 P CB 1.046 32.528 31.700 -0.364 0.000 0.961 371 I N 3.810 124.242 120.570 -0.229 0.000 2.355 371 I HA 0.275 4.445 4.170 -0.000 0.000 0.288 371 I C -0.095 175.907 176.117 -0.192 0.000 0.999 371 I CA -0.845 60.364 61.300 -0.151 0.000 1.163 371 I CB 0.633 38.617 38.000 -0.026 0.000 1.316 371 I HN 0.273 nan 8.210 nan 0.000 0.454 372 Y N 4.196 124.520 120.300 0.041 0.000 2.376 372 Y HA 0.425 4.975 4.550 -0.000 0.000 0.325 372 Y C 0.366 176.246 175.900 -0.034 0.000 1.199 372 Y CA -0.701 57.391 58.100 -0.012 0.000 1.206 372 Y CB 1.028 39.437 38.460 -0.085 0.000 1.229 372 Y HN 0.453 nan 8.280 nan 0.000 0.480 373 E N 0.581 120.869 120.200 0.148 0.000 2.176 373 E HA 0.392 4.742 4.350 -0.000 0.000 0.267 373 E C -1.329 175.269 176.600 -0.002 0.000 0.893 373 E CA -0.614 55.822 56.400 0.060 0.000 0.761 373 E CB 1.236 30.968 29.700 0.053 0.000 1.133 373 E HN 0.615 nan 8.360 nan 0.000 0.409 374 T N 4.599 119.130 114.554 -0.038 0.000 2.771 374 T HA 0.477 4.827 4.350 -0.000 0.000 0.281 374 T C -0.126 174.539 174.700 -0.058 0.000 0.982 374 T CA -0.426 61.605 62.100 -0.116 0.000 0.978 374 T CB 0.666 69.453 68.868 -0.134 0.000 0.930 374 T HN 0.360 nan 8.240 nan 0.000 0.447 375 M N 4.196 123.761 119.600 -0.059 0.000 2.602 375 M HA 0.450 4.930 4.480 -0.000 0.000 0.312 375 M C -2.431 173.862 176.300 -0.011 0.000 1.181 375 M CA -2.602 52.708 55.300 0.016 0.000 0.910 375 M CB 2.390 35.065 32.600 0.125 0.000 1.723 375 M HN 0.265 nan 8.290 nan 0.000 0.459 376 P HA 0.109 nan 4.420 nan 0.000 0.271 376 P C -0.386 176.947 177.300 0.055 0.000 1.216 376 P CA 0.085 63.202 63.100 0.028 0.000 0.771 376 P CB 0.680 32.417 31.700 0.062 0.000 0.864 377 G N 2.184 110.946 108.800 -0.063 0.000 2.582 377 G HA2 0.536 4.496 3.960 -0.000 0.000 0.232 377 G HA3 0.536 4.496 3.960 -0.000 0.000 0.232 377 G C -1.270 173.667 174.900 0.062 0.000 1.458 377 G CA -0.676 44.276 45.100 -0.247 0.000 1.062 377 G HN 0.697 nan 8.290 nan 0.000 0.566 378 W N -2.451 118.834 121.300 -0.025 0.000 3.479 378 W HA 0.539 5.199 4.660 -0.000 0.000 0.304 378 W C 0.423 176.945 176.519 0.005 0.000 1.243 378 W CA -0.284 57.059 57.345 -0.004 0.000 1.202 378 W CB 0.749 30.215 29.460 0.009 0.000 1.346 378 W HN 0.571 nan 8.180 nan 0.000 0.539 379 S N -0.573 115.245 115.700 0.197 0.000 2.486 379 S HA 0.090 4.560 4.470 -0.000 0.000 0.220 379 S C 0.166 174.880 174.600 0.191 0.000 1.011 379 S CA 0.195 58.467 58.200 0.119 0.000 0.921 379 S CB -0.230 63.011 63.200 0.068 0.000 0.785 379 S HN 0.544 nan 8.310 nan 0.000 0.517 380 E N 2.508 122.863 120.200 0.258 0.000 2.415 380 E HA 0.318 4.668 4.350 -0.000 0.000 0.262 380 E C -0.184 176.575 176.600 0.265 0.000 1.038 380 E CA 0.035 56.560 56.400 0.209 0.000 0.921 380 E CB 0.441 30.229 29.700 0.146 0.000 0.950 380 E HN 0.223 nan 8.360 nan 0.000 0.438 381 S N 0.725 116.537 115.700 0.187 0.000 2.523 381 S HA 0.170 4.640 4.470 -0.000 0.000 0.275 381 S C 0.604 175.322 174.600 0.196 0.000 1.281 381 S CA -0.073 58.251 58.200 0.206 0.000 1.050 381 S CB 0.309 63.605 63.200 0.161 0.000 0.937 381 S HN 0.631 nan 8.310 nan 0.000 0.492 382 T N 2.517 117.217 114.554 0.243 0.000 3.040 382 T HA 0.261 4.611 4.350 -0.000 0.000 0.266 382 T C 0.224 175.032 174.700 0.180 0.000 1.005 382 T CA -0.395 61.803 62.100 0.164 0.000 0.906 382 T CB -0.429 68.519 68.868 0.134 0.000 1.082 382 T HN 0.490 nan 8.240 nan 0.000 0.531 383 F N 3.243 123.252 119.950 0.098 0.000 2.590 383 F HA 0.418 4.945 4.527 -0.000 0.000 0.389 383 F C 1.525 177.360 175.800 0.059 0.000 1.049 383 F CA 1.200 59.248 58.000 0.081 0.000 1.199 383 F CB -0.107 38.938 39.000 0.074 0.000 1.058 383 F HN 0.420 nan 8.300 nan 0.000 0.556 384 G N 3.621 112.099 108.800 -0.537 0.000 2.184 384 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.264 384 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.264 384 G C 0.072 174.903 174.900 -0.115 0.000 0.975 384 G CA 0.089 44.979 45.100 -0.349 0.000 0.642 384 G HN 0.773 nan 8.290 nan 0.000 0.536 385 V N 0.654 120.535 119.914 -0.055 0.000 2.617 385 V HA 0.194 4.314 4.120 -0.000 0.000 0.304 385 V C 1.336 177.409 176.094 -0.036 0.000 1.040 385 V CA 1.534 63.821 62.300 -0.021 0.000 1.149 385 V CB 1.235 33.055 31.823 -0.006 0.000 0.914 385 V HN 0.456 nan 8.190 nan 0.000 0.487 386 K N 2.235 122.621 120.400 -0.023 0.000 2.414 386 K HA 0.337 4.657 4.320 -0.000 0.000 0.204 386 K C -0.622 175.970 176.600 -0.013 0.000 1.026 386 K CA -0.148 56.126 56.287 -0.022 0.000 1.108 386 K CB 0.589 33.078 32.500 -0.018 0.000 0.855 386 K HN 0.659 nan 8.250 nan 0.000 0.517 387 D N 0.139 120.532 120.400 -0.012 0.000 2.964 387 D HA 0.155 4.795 4.640 -0.000 0.000 0.234 387 D C 0.293 176.583 176.300 -0.016 0.000 1.223 387 D CA -0.543 53.450 54.000 -0.010 0.000 0.889 387 D CB 1.746 42.542 40.800 -0.006 0.000 1.609 387 D HN -0.131 nan 8.370 nan 0.000 0.523 388 R N 1.623 122.114 120.500 -0.016 0.000 2.159 388 R HA -0.137 4.203 4.340 -0.000 0.000 0.237 388 R C 1.629 177.911 176.300 -0.030 0.000 1.131 388 R CA 1.522 57.607 56.100 -0.025 0.000 0.982 388 R CB 0.041 30.331 30.300 -0.017 0.000 0.868 388 R HN 0.330 nan 8.270 nan 0.000 0.453 389 S N -0.747 114.941 115.700 -0.020 0.000 2.399 389 S HA -0.074 4.396 4.470 -0.000 0.000 0.231 389 S C 1.589 176.175 174.600 -0.022 0.000 1.022 389 S CA 1.298 59.487 58.200 -0.018 0.000 0.983 389 S CB -0.227 62.967 63.200 -0.009 0.000 0.803 389 S HN 0.634 nan 8.310 nan 0.000 0.480 390 G N 0.690 109.477 108.800 -0.021 0.000 3.124 390 G HA2 0.298 4.258 3.960 -0.000 0.000 0.212 390 G HA3 0.298 4.258 3.960 -0.000 0.000 0.212 390 G C 0.094 174.971 174.900 -0.039 0.000 1.181 390 G CA -0.228 44.861 45.100 -0.019 0.000 0.803 390 G HN 0.436 nan 8.290 nan 0.000 0.529 391 L N 1.413 122.595 121.223 -0.068 0.000 2.322 391 L HA 0.401 4.741 4.340 -0.000 0.000 0.279 391 L C -1.840 174.935 176.870 -0.158 0.000 1.036 391 L CA -2.248 52.511 54.840 -0.134 0.000 0.807 391 L CB 1.917 43.881 42.059 -0.158 0.000 1.226 391 L HN -0.076 nan 8.230 nan 0.000 0.433 392 P HA 0.006 nan 4.420 nan 0.000 0.272 392 P C -0.220 176.965 177.300 -0.192 0.000 1.223 392 P CA -0.332 62.656 63.100 -0.186 0.000 0.784 392 P CB 1.165 32.744 31.700 -0.202 0.000 0.923 393 Q N 2.813 122.562 119.800 -0.085 0.000 2.135 393 Q HA -0.174 4.166 4.340 -0.000 0.000 0.204 393 Q C 2.106 178.081 176.000 -0.042 0.000 0.981 393 Q CA 2.483 58.255 55.803 -0.052 0.000 0.856 393 Q CB -1.282 27.452 28.738 -0.008 0.000 0.902 393 Q HN 0.574 nan 8.270 nan 0.000 0.425 394 A N 0.083 122.901 122.820 -0.002 0.000 1.940 394 A HA -0.103 4.217 4.320 -0.000 0.000 0.219 394 A C 2.256 179.849 177.584 0.015 0.000 1.176 394 A CA 1.966 54.077 52.037 0.123 0.000 0.631 394 A CB -1.080 18.126 19.000 0.345 0.000 0.814 394 A HN 0.523 nan 8.150 nan 0.000 0.446 395 A N -0.366 122.152 122.820 -0.503 0.000 1.897 395 A HA 0.059 4.379 4.320 -0.000 0.000 0.215 395 A C 2.132 179.587 177.584 -0.215 0.000 1.181 395 A CA 1.288 52.811 52.037 -0.855 0.000 0.620 395 A CB -0.518 17.675 19.000 -1.343 0.000 0.821 395 A HN 0.463 nan 8.150 nan 0.000 0.443 396 L N -0.357 120.771 121.223 -0.158 0.000 2.083 396 L HA -0.220 4.120 4.340 -0.000 0.000 0.209 396 L C 2.296 179.174 176.870 0.013 0.000 1.083 396 L CA 1.654 56.461 54.840 -0.056 0.000 0.752 396 L CB -0.760 41.267 42.059 -0.053 0.000 0.899 396 L HN 0.517 nan 8.230 nan 0.000 0.433 397 N N -0.906 117.820 118.700 0.044 0.000 2.142 397 N HA -0.248 4.492 4.740 -0.000 0.000 0.186 397 N C 1.926 177.522 175.510 0.143 0.000 1.023 397 N CA 1.038 54.138 53.050 0.085 0.000 0.852 397 N CB -0.196 38.351 38.487 0.100 0.000 0.998 397 N HN 0.208 nan 8.380 nan 0.000 0.424 398 Y N 2.029 122.375 120.300 0.076 0.000 2.165 398 Y HA -0.140 4.410 4.550 -0.000 0.000 0.286 398 Y C 1.961 177.910 175.900 0.082 0.000 1.155 398 Y CA 1.256 59.434 58.100 0.130 0.000 1.164 398 Y CB -0.297 38.332 38.460 0.282 0.000 0.978 398 Y HN 0.034 nan 8.280 nan 0.000 0.513 399 I N -0.138 120.470 120.570 0.063 0.000 2.202 399 I HA -0.288 3.882 4.170 -0.000 0.000 0.242 399 I C 2.603 178.688 176.117 -0.053 0.000 1.091 399 I CA 1.398 62.676 61.300 -0.037 0.000 1.368 399 I CB -0.434 37.576 38.000 0.017 0.000 1.058 399 I HN 0.071 nan 8.210 nan 0.000 0.410 400 K N 0.978 121.371 120.400 -0.012 0.000 2.057 400 K HA -0.214 4.106 4.320 -0.000 0.000 0.207 400 K C 2.235 178.823 176.600 -0.020 0.000 1.049 400 K CA 1.440 57.723 56.287 -0.006 0.000 0.931 400 K CB -0.224 32.281 32.500 0.009 0.000 0.714 400 K HN 0.031 nan 8.250 nan 0.000 0.440 401 R N 1.182 121.665 120.500 -0.029 0.000 2.073 401 R HA 0.011 4.351 4.340 -0.000 0.000 0.234 401 R C 2.295 178.550 176.300 -0.076 0.000 1.134 401 R CA 1.330 57.409 56.100 -0.035 0.000 0.952 401 R CB -0.690 29.602 30.300 -0.013 0.000 0.850 401 R HN 0.230 nan 8.270 nan 0.000 0.433 402 I N 0.487 120.960 120.570 -0.162 0.000 2.163 402 I HA -0.312 3.858 4.170 -0.000 0.000 0.243 402 I C 2.051 178.126 176.117 -0.069 0.000 1.085 402 I CA 1.857 63.046 61.300 -0.184 0.000 1.347 402 I CB -0.358 37.455 38.000 -0.312 0.000 1.044 402 I HN 0.334 nan 8.210 nan 0.000 0.408 403 E N 0.590 120.774 120.200 -0.026 0.000 2.051 403 E HA -0.242 4.108 4.350 -0.000 0.000 0.192 403 E C 2.096 178.714 176.600 0.031 0.000 0.991 403 E CA 1.325 57.752 56.400 0.044 0.000 0.799 403 E CB -0.136 29.588 29.700 0.040 0.000 0.748 403 E HN 0.550 nan 8.360 nan 0.000 0.449 404 E N 0.739 120.942 120.200 0.006 0.000 2.077 404 E HA -0.174 4.176 4.350 -0.000 0.000 0.193 404 E C 2.231 178.832 176.600 0.002 0.000 0.989 404 E CA 0.782 57.184 56.400 0.003 0.000 0.800 404 E CB -0.096 29.604 29.700 -0.001 0.000 0.746 404 E HN 0.237 nan 8.360 nan 0.000 0.452 405 L N 0.697 121.917 121.223 -0.005 0.000 2.093 405 L HA -0.129 4.211 4.340 -0.000 0.000 0.208 405 L C 2.742 179.617 176.870 0.008 0.000 1.085 405 L CA 1.568 56.403 54.840 -0.007 0.000 0.755 405 L CB -0.433 41.614 42.059 -0.020 0.000 0.904 405 L HN 0.308 nan 8.230 nan 0.000 0.435 406 T N -4.638 109.942 114.554 0.042 0.000 3.051 406 T HA 0.178 4.528 4.350 -0.000 0.000 0.255 406 T C 1.508 176.246 174.700 0.063 0.000 1.085 406 T CA 0.493 62.650 62.100 0.095 0.000 1.109 406 T CB 0.434 69.464 68.868 0.270 0.000 0.921 406 T HN 0.401 nan 8.240 nan 0.000 0.488 407 G N 0.690 109.516 108.800 0.044 0.000 2.143 407 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.248 407 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.248 407 G C -0.032 174.861 174.900 -0.013 0.000 0.991 407 G CA 0.098 45.202 45.100 0.006 0.000 0.689 407 G HN 0.792 nan 8.290 nan 0.000 0.522 408 V N 1.832 121.765 119.914 0.031 0.000 2.656 408 V HA 0.640 4.760 4.120 -0.000 0.000 0.307 408 V C -1.833 174.299 176.094 0.063 0.000 1.051 408 V CA -1.564 60.703 62.300 -0.056 0.000 0.893 408 V CB 2.562 34.190 31.823 -0.324 0.000 0.999 408 V HN 0.175 nan 8.190 nan 0.000 0.426 409 P HA 0.361 nan 4.420 nan 0.000 0.278 409 P C -0.720 176.666 177.300 0.143 0.000 1.238 409 P CA -0.223 62.919 63.100 0.069 0.000 0.794 409 P CB 1.372 33.089 31.700 0.029 0.000 0.955 410 I N 2.963 123.626 120.570 0.155 0.000 2.282 410 I HA 0.079 4.249 4.170 -0.000 0.000 0.290 410 I C 0.833 177.018 176.117 0.113 0.000 1.090 410 I CA -0.077 61.329 61.300 0.177 0.000 1.231 410 I CB 0.455 38.527 38.000 0.120 0.000 1.434 410 I HN 0.175 nan 8.210 nan 0.000 0.487 411 D N 6.118 126.590 120.400 0.120 0.000 2.323 411 D HA 0.205 4.845 4.640 -0.000 0.000 0.209 411 D C 0.401 176.735 176.300 0.056 0.000 0.973 411 D CA 1.175 55.225 54.000 0.084 0.000 0.874 411 D CB 0.567 41.430 40.800 0.105 0.000 0.930 411 D HN 0.355 nan 8.370 nan 0.000 0.521 412 I N 0.370 120.980 120.570 0.066 0.000 2.722 412 I HA 0.338 4.508 4.170 -0.000 0.000 0.295 412 I C -0.934 175.213 176.117 0.049 0.000 1.161 412 I CA -0.750 60.575 61.300 0.042 0.000 1.032 412 I CB 2.982 40.999 38.000 0.029 0.000 1.244 412 I HN -0.368 nan 8.210 nan 0.000 0.421 413 I N 3.307 123.896 120.570 0.033 0.000 2.478 413 I HA 0.295 4.465 4.170 -0.000 0.000 0.287 413 I C -0.326 175.804 176.117 0.021 0.000 1.042 413 I CA -0.411 60.910 61.300 0.036 0.000 1.067 413 I CB 2.116 40.135 38.000 0.031 0.000 1.233 413 I HN 0.459 nan 8.210 nan 0.000 0.431 414 S N 2.905 118.622 115.700 0.029 0.000 2.462 414 S HA 0.460 4.930 4.470 -0.000 0.000 0.294 414 S C 0.597 175.203 174.600 0.010 0.000 1.144 414 S CA -0.344 57.861 58.200 0.008 0.000 1.088 414 S CB 0.775 63.983 63.200 0.013 0.000 1.009 414 S HN 0.760 nan 8.310 nan 0.000 0.484 415 T N 0.880 115.404 114.554 -0.049 0.000 3.200 415 T HA 0.586 4.936 4.350 -0.000 0.000 0.284 415 T C 0.446 174.995 174.700 -0.251 0.000 1.009 415 T CA 0.024 62.080 62.100 -0.075 0.000 0.907 415 T CB 0.100 68.917 68.868 -0.086 0.000 1.120 415 T HN 0.910 nan 8.240 nan 0.000 0.534 416 G N 1.758 110.426 108.800 -0.219 0.000 2.387 416 G HA2 0.495 4.455 3.960 -0.000 0.000 0.294 416 G HA3 0.495 4.455 3.960 -0.000 0.000 0.294 416 G C -2.700 172.145 174.900 -0.092 0.000 1.509 416 G CA -0.929 43.986 45.100 -0.308 0.000 0.806 416 G HN -0.223 nan 8.290 nan 0.000 0.546 417 P HA -0.024 nan 4.420 nan 0.000 0.222 417 P C 0.195 177.505 177.300 0.017 0.000 1.147 417 P CA 0.714 63.841 63.100 0.045 0.000 0.790 417 P CB 0.316 32.075 31.700 0.098 0.000 0.780 418 D N 0.249 120.643 120.400 -0.009 0.000 2.341 418 D HA -0.008 4.632 4.640 -0.000 0.000 0.245 418 D C 1.385 177.672 176.300 -0.021 0.000 1.106 418 D CA -0.289 53.707 54.000 -0.007 0.000 0.905 418 D CB 1.170 41.966 40.800 -0.007 0.000 1.202 418 D HN -0.135 nan 8.370 nan 0.000 0.426 419 R N 1.338 121.835 120.500 -0.005 0.000 2.117 419 R HA -0.193 4.147 4.340 -0.000 0.000 0.243 419 R C 1.817 178.109 176.300 -0.013 0.000 1.143 419 R CA 2.282 58.380 56.100 -0.004 0.000 0.968 419 R CB -0.316 29.988 30.300 0.006 0.000 0.863 419 R HN 0.580 nan 8.270 nan 0.000 0.444 420 T N -2.469 112.074 114.554 -0.019 0.000 3.067 420 T HA 0.038 4.388 4.350 -0.000 0.000 0.257 420 T C 0.520 175.192 174.700 -0.048 0.000 1.105 420 T CA 0.238 62.324 62.100 -0.023 0.000 1.104 420 T CB 0.059 68.918 68.868 -0.014 0.000 0.925 420 T HN 0.317 nan 8.240 nan 0.000 0.498 421 E N 2.344 122.495 120.200 -0.082 0.000 2.222 421 E HA 0.270 4.620 4.350 -0.000 0.000 0.312 421 E C -0.658 175.880 176.600 -0.103 0.000 1.263 421 E CA -0.195 56.120 56.400 -0.142 0.000 1.356 421 E CB -0.277 29.258 29.700 -0.275 0.000 1.180 421 E HN 0.455 nan 8.360 nan 0.000 0.494 422 T N 1.054 115.571 114.554 -0.062 0.000 2.840 422 T HA 0.456 4.806 4.350 -0.000 0.000 0.317 422 T C -0.621 174.066 174.700 -0.022 0.000 1.401 422 T CA -1.002 61.076 62.100 -0.036 0.000 1.028 422 T CB 1.312 70.167 68.868 -0.022 0.000 1.317 422 T HN 0.292 nan 8.240 nan 0.000 0.495 423 M N 1.319 120.912 119.600 -0.011 0.000 2.124 423 M HA 0.619 5.099 4.480 -0.000 0.000 0.280 423 M C -1.687 174.614 176.300 0.002 0.000 0.954 423 M CA -0.749 54.548 55.300 -0.005 0.000 0.958 423 M CB 0.961 33.557 32.600 -0.006 0.000 1.611 423 M HN 0.433 nan 8.290 nan 0.000 0.449 424 I N 4.841 125.412 120.570 0.002 0.000 2.301 424 I HA 0.172 4.342 4.170 -0.000 0.000 0.292 424 I C 0.676 176.796 176.117 0.005 0.000 1.046 424 I CA -0.382 60.919 61.300 0.002 0.000 1.282 424 I CB 1.231 39.230 38.000 -0.000 0.000 1.409 424 I HN 0.899 nan 8.210 nan 0.000 0.484 425 L N 5.489 126.717 121.223 0.009 0.000 2.307 425 L HA 0.211 4.551 4.340 -0.000 0.000 0.211 425 L C 1.086 177.962 176.870 0.011 0.000 1.099 425 L CA 0.505 55.352 54.840 0.012 0.000 0.816 425 L CB -0.127 41.944 42.059 0.020 0.000 0.952 425 L HN 0.560 nan 8.230 nan 0.000 0.455 426 R N 0.544 121.046 120.500 0.003 0.000 2.518 426 R HA 0.117 4.457 4.340 -0.000 0.000 0.287 426 R C -1.623 174.642 176.300 -0.057 0.000 1.135 426 R CA -0.500 55.596 56.100 -0.008 0.000 0.967 426 R CB 1.567 31.877 30.300 0.016 0.000 1.212 426 R HN -0.144 nan 8.270 nan 0.000 0.422 427 D N 5.499 125.860 120.400 -0.065 0.000 2.312 427 D HA 0.149 4.789 4.640 -0.000 0.000 0.252 427 D C -1.724 174.419 176.300 -0.262 0.000 1.150 427 D CA -1.948 51.983 54.000 -0.115 0.000 0.870 427 D CB 1.998 42.793 40.800 -0.008 0.000 1.153 427 D HN 0.293 nan 8.370 nan 0.000 0.457 428 P HA -0.095 nan 4.420 nan 0.000 0.218 428 P C 1.099 178.019 177.300 -0.635 0.000 1.148 428 P CA 0.799 63.284 63.100 -1.025 0.000 0.822 428 P CB 0.055 30.984 31.700 -1.284 0.000 0.784 429 F N 0.373 120.097 119.950 -0.378 0.000 2.293 429 F HA -0.102 4.425 4.527 0.000 0.000 0.300 429 F C 1.273 176.876 175.800 -0.329 0.000 1.086 429 F CA 1.405 59.132 58.000 -0.455 0.000 1.375 429 F CB -0.970 37.766 39.000 -0.441 0.000 1.045 429 F HN 0.106 nan 8.300 nan 0.000 0.516 430 D N -1.971 118.437 120.400 0.014 0.000 2.503 430 D HA 0.373 5.013 4.640 -0.000 0.000 0.218 430 D C 0.533 176.839 176.300 0.010 0.000 1.183 430 D CA 0.056 54.082 54.000 0.043 0.000 0.827 430 D CB -0.152 40.703 40.800 0.092 0.000 1.034 430 D HN 0.040 nan 8.370 nan 0.000 0.510 431 A N 0.000 122.797 122.820 -0.039 0.000 2.254 431 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 431 A CA 0.000 52.038 52.037 0.002 0.000 0.836 431 A CB 0.000 18.988 19.000 -0.020 0.000 0.831 431 A HN 0.000 nan 8.150 nan 0.000 0.486