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 1soo_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 0.000 174.819 174.900 -0.135 0.000 0.946 1 G CA 0.000 45.064 45.100 -0.060 0.000 0.502 2 N N 0.749 119.423 118.700 -0.044 0.000 2.251 2 N HA 0.042 4.781 4.740 -0.000 0.000 0.181 2 N C 0.097 175.699 175.510 0.153 0.000 1.019 2 N CA 0.696 53.741 53.050 -0.007 0.000 0.862 2 N CB -0.086 38.501 38.487 0.166 0.000 0.992 2 N HN 0.317 nan 8.380 nan 0.000 0.429 3 N N 1.121 119.915 118.700 0.157 0.000 2.527 3 N HA 0.217 4.957 4.740 -0.000 0.000 0.236 3 N C -1.045 174.555 175.510 0.150 0.000 0.999 3 N CA -0.081 53.116 53.050 0.246 0.000 0.935 3 N CB 1.955 40.601 38.487 0.264 0.000 1.132 3 N HN -0.166 nan 8.380 nan 0.000 0.511 4 V N 2.560 122.552 119.914 0.130 0.000 2.417 4 V HA 0.367 4.487 4.120 -0.000 0.000 0.291 4 V C 0.275 176.458 176.094 0.148 0.000 1.024 4 V CA -0.795 61.496 62.300 -0.015 0.000 0.861 4 V CB 2.002 33.535 31.823 -0.482 0.000 0.985 4 V HN 0.230 nan 8.190 nan 0.000 0.436 5 V N 5.531 125.522 119.914 0.129 0.000 2.539 5 V HA 0.491 4.611 4.120 -0.000 0.000 0.292 5 V C -0.149 176.030 176.094 0.141 0.000 1.045 5 V CA -0.497 61.899 62.300 0.159 0.000 0.945 5 V CB 1.955 33.794 31.823 0.026 0.000 0.993 5 V HN 0.577 nan 8.190 nan 0.000 0.464 6 V N 6.017 126.039 119.914 0.181 0.000 2.357 6 V HA 0.480 4.600 4.120 -0.000 0.000 0.281 6 V C -0.653 175.531 176.094 0.149 0.000 1.015 6 V CA -0.387 61.991 62.300 0.130 0.000 0.827 6 V CB 1.116 32.992 31.823 0.088 0.000 1.018 6 V HN 0.732 nan 8.190 nan 0.000 0.432 7 L N 2.884 124.185 121.223 0.131 0.000 2.309 7 L HA 1.053 5.392 4.340 -0.000 0.000 0.261 7 L C 0.443 177.369 176.870 0.093 0.000 1.021 7 L CA -0.824 54.094 54.840 0.130 0.000 0.823 7 L CB 1.091 43.246 42.059 0.159 0.000 1.366 7 L HN 0.444 nan 8.230 nan 0.000 0.423 8 G N -0.990 107.857 108.800 0.078 0.000 2.390 8 G HA2 0.443 4.403 3.960 -0.000 0.000 0.270 8 G HA3 0.443 4.403 3.960 -0.000 0.000 0.270 8 G C 0.677 175.593 174.900 0.026 0.000 1.211 8 G CA 0.241 45.374 45.100 0.055 0.000 0.842 8 G HN 0.987 nan 8.290 nan 0.000 0.519 9 T N -0.460 114.110 114.554 0.026 0.000 3.067 9 T HA 0.075 4.425 4.350 -0.000 0.000 0.257 9 T C 1.308 175.935 174.700 -0.122 0.000 1.105 9 T CA 0.845 62.947 62.100 0.004 0.000 1.104 9 T CB 0.081 69.013 68.868 0.106 0.000 0.925 9 T HN 0.518 nan 8.240 nan 0.000 0.498 10 Q N -0.493 119.219 119.800 -0.148 0.000 3.081 10 Q HA 0.367 4.707 4.340 -0.000 0.000 0.219 10 Q C 0.163 175.919 176.000 -0.408 0.000 1.169 10 Q CA -0.589 55.011 55.803 -0.337 0.000 0.309 10 Q CB 0.608 29.276 28.738 -0.116 0.000 5.821 10 Q HN 0.422 nan 8.270 nan 0.000 0.320 11 W N 1.337 122.575 121.300 -0.103 0.000 2.159 11 W HA 0.500 5.160 4.660 -0.000 0.000 0.375 11 W C -0.049 176.409 176.519 -0.102 0.000 0.794 11 W CA 0.315 57.584 57.345 -0.126 0.000 2.716 11 W CB 0.393 29.714 29.460 -0.231 0.000 1.583 11 W HN 0.753 nan 8.180 nan 0.000 0.702 12 G N 1.645 110.498 108.800 0.089 0.000 2.795 12 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.664 12 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.664 12 G C 0.070 174.990 174.900 0.033 0.000 1.381 12 G CA -0.303 44.830 45.100 0.053 0.000 0.853 12 G HN 0.251 nan 8.290 nan 0.000 0.545 13 D N -0.930 119.479 120.400 0.015 0.000 2.837 13 D HA -0.156 4.484 4.640 -0.000 0.000 0.230 13 D C 1.170 177.467 176.300 -0.005 0.000 1.152 13 D CA 1.711 55.711 54.000 -0.001 0.000 0.736 13 D CB -0.865 39.923 40.800 -0.020 0.000 1.084 13 D HN 0.753 nan 8.370 nan 0.000 0.429 14 E N -0.157 120.052 120.200 0.016 0.000 2.285 14 E HA 0.252 4.602 4.350 -0.000 0.000 0.194 14 E C 1.726 178.336 176.600 0.018 0.000 0.997 14 E CA 1.024 57.424 56.400 -0.001 0.000 0.845 14 E CB 0.179 29.889 29.700 0.016 0.000 0.782 14 E HN 0.497 nan 8.360 nan 0.000 0.491 15 G N 0.567 109.398 108.800 0.053 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 0.550 175.495 174.900 0.075 0.000 1.038 15 G CA 0.114 45.252 45.100 0.063 0.000 0.704 15 G HN 0.132 nan 8.290 nan 0.000 0.490 16 K N 0.119 120.583 120.400 0.106 0.000 2.002 16 K HA 0.035 4.355 4.320 -0.000 0.000 0.209 16 K C 2.821 179.417 176.600 -0.007 0.000 1.048 16 K CA 1.381 57.704 56.287 0.059 0.000 0.930 16 K CB -0.322 32.221 32.500 0.072 0.000 0.714 16 K HN 0.412 nan 8.250 nan 0.000 0.438 17 G N 2.531 111.338 108.800 0.012 0.000 2.631 17 G HA2 -0.392 3.568 3.960 -0.000 0.000 0.219 17 G HA3 -0.392 3.568 3.960 -0.000 0.000 0.219 17 G C 1.424 176.321 174.900 -0.005 0.000 1.214 17 G CA 1.555 46.620 45.100 -0.057 0.000 0.785 17 G HN 0.323 nan 8.290 nan 0.000 0.596 18 K N -0.057 120.363 120.400 0.034 0.000 2.077 18 K HA -0.181 4.138 4.320 -0.000 0.000 0.213 18 K C 2.432 179.044 176.600 0.021 0.000 1.051 18 K CA 1.821 58.125 56.287 0.028 0.000 0.929 18 K CB -0.274 32.247 32.500 0.035 0.000 0.715 18 K HN 0.275 nan 8.250 nan 0.000 0.451 19 I N 1.230 121.812 120.570 0.021 0.000 2.361 19 I HA -0.195 3.975 4.170 -0.000 0.000 0.251 19 I C 2.405 178.533 176.117 0.019 0.000 1.133 19 I CA 0.846 62.159 61.300 0.021 0.000 1.413 19 I CB -0.941 37.076 38.000 0.028 0.000 1.073 19 I HN 0.072 nan 8.210 nan 0.000 0.424 20 V N 1.235 121.153 119.914 0.006 0.000 2.283 20 V HA -0.263 3.857 4.120 -0.000 0.000 0.243 20 V C 2.390 178.501 176.094 0.028 0.000 1.039 20 V CA 2.096 64.404 62.300 0.014 0.000 1.016 20 V CB -0.794 31.015 31.823 -0.024 0.000 0.650 20 V HN 0.335 nan 8.190 nan 0.000 0.449 21 D N 0.126 120.534 120.400 0.013 0.000 2.158 21 D HA -0.231 4.409 4.640 -0.000 0.000 0.197 21 D C 1.953 178.271 176.300 0.031 0.000 0.995 21 D CA 1.717 55.728 54.000 0.019 0.000 0.846 21 D CB -0.157 40.651 40.800 0.014 0.000 0.941 21 D HN 0.303 nan 8.370 nan 0.000 0.456 22 L N 0.029 121.271 121.223 0.033 0.000 1.976 22 L HA -0.031 4.309 4.340 -0.000 0.000 0.209 22 L C 2.223 179.130 176.870 0.062 0.000 1.071 22 L CA 1.638 56.500 54.840 0.037 0.000 0.746 22 L CB -0.606 41.471 42.059 0.030 0.000 0.890 22 L HN 0.187 nan 8.230 nan 0.000 0.432 23 L N -0.582 120.692 121.223 0.085 0.000 2.376 23 L HA -0.104 4.235 4.340 -0.000 0.000 0.219 23 L C 2.267 179.284 176.870 0.245 0.000 1.133 23 L CA 1.158 56.098 54.840 0.167 0.000 0.816 23 L CB -1.081 41.059 42.059 0.136 0.000 0.933 23 L HN 0.515 nan 8.230 nan 0.000 0.449 24 T N -3.498 111.149 114.554 0.154 0.000 3.025 24 T HA -0.216 4.134 4.350 -0.000 0.000 0.270 24 T C 1.519 176.248 174.700 0.048 0.000 1.126 24 T CA 0.978 63.151 62.100 0.121 0.000 1.105 24 T CB -0.251 68.659 68.868 0.069 0.000 0.884 24 T HN 0.418 nan 8.240 nan 0.000 0.522 25 E N 1.587 121.816 120.200 0.048 0.000 2.187 25 E HA -0.249 4.101 4.350 -0.000 0.000 0.199 25 E C 2.104 178.679 176.600 -0.043 0.000 1.004 25 E CA 1.184 57.586 56.400 0.004 0.000 0.813 25 E CB -0.025 29.686 29.700 0.018 0.000 0.736 25 E HN 0.628 nan 8.360 nan 0.000 0.468 26 R N -0.422 120.046 120.500 -0.053 0.000 2.334 26 R HA 0.296 4.636 4.340 -0.000 0.000 0.212 26 R C 0.472 176.607 176.300 -0.275 0.000 0.897 26 R CA 0.150 56.144 56.100 -0.176 0.000 1.056 26 R CB 0.660 30.864 30.300 -0.160 0.000 1.046 26 R HN -0.005 nan 8.270 nan 0.000 0.513 27 A N 1.464 124.171 122.820 -0.187 0.000 2.304 27 A HA 0.181 4.501 4.320 -0.000 0.000 0.271 27 A C 0.703 178.195 177.584 -0.154 0.000 1.091 27 A CA -0.260 51.715 52.037 -0.104 0.000 0.812 27 A CB 0.891 19.938 19.000 0.079 0.000 1.056 27 A HN 0.145 nan 8.150 nan 0.000 0.489 28 K N -0.708 119.576 120.400 -0.195 0.000 2.313 28 K HA 0.176 4.496 4.320 -0.000 0.000 0.197 28 K C -0.967 175.271 176.600 -0.603 0.000 1.061 28 K CA 0.647 56.658 56.287 -0.459 0.000 0.980 28 K CB 0.120 32.262 32.500 -0.596 0.000 0.888 28 K HN 0.694 nan 8.250 nan 0.000 0.502 29 Y N -0.507 119.781 120.300 -0.021 0.000 2.545 29 Y HA 0.450 5.000 4.550 -0.000 0.000 0.348 29 Y C -0.865 174.993 175.900 -0.070 0.000 1.002 29 Y CA -1.260 56.810 58.100 -0.050 0.000 1.039 29 Y CB 2.177 40.592 38.460 -0.075 0.000 1.271 29 Y HN -0.389 nan 8.280 nan 0.000 0.467 30 V N 2.782 122.751 119.914 0.092 0.000 2.588 30 V HA 0.697 4.817 4.120 -0.000 0.000 0.304 30 V C -1.017 175.047 176.094 -0.051 0.000 1.042 30 V CA -0.920 61.380 62.300 0.000 0.000 0.877 30 V CB 1.824 33.661 31.823 0.024 0.000 0.996 30 V HN 0.533 nan 8.190 nan 0.000 0.425 31 V N 4.122 123.951 119.914 -0.143 0.000 2.531 31 V HA 0.579 4.698 4.120 -0.000 0.000 0.301 31 V C -0.182 175.979 176.094 0.110 0.000 1.034 31 V CA -0.892 61.357 62.300 -0.085 0.000 0.865 31 V CB 1.975 33.595 31.823 -0.337 0.000 0.995 31 V HN 0.729 nan 8.190 nan 0.000 0.424 32 R N 2.998 123.562 120.500 0.106 0.000 2.308 32 R HA 0.337 4.677 4.340 -0.000 0.000 0.305 32 R C -0.118 176.288 176.300 0.178 0.000 1.053 32 R CA -0.225 55.925 56.100 0.084 0.000 0.957 32 R CB 1.015 31.339 30.300 0.040 0.000 1.022 32 R HN 0.942 nan 8.270 nan 0.000 0.461 33 Y N -0.290 120.111 120.300 0.168 0.000 2.527 33 Y HA 0.278 4.828 4.550 -0.000 0.000 0.247 33 Y C -0.496 175.495 175.900 0.152 0.000 1.138 33 Y CA -0.679 57.525 58.100 0.173 0.000 1.228 33 Y CB 0.603 39.192 38.460 0.215 0.000 1.252 33 Y HN 0.415 nan 8.280 nan 0.000 0.531 34 Q N -0.475 119.280 119.800 -0.076 0.000 2.702 34 Q HA 0.628 4.968 4.340 -0.000 0.000 0.289 34 Q C -0.094 175.939 176.000 0.053 0.000 0.923 34 Q CA -0.859 54.984 55.803 0.066 0.000 0.787 34 Q CB 1.040 29.833 28.738 0.092 0.000 1.476 34 Q HN 0.838 nan 8.270 nan 0.000 0.402 35 G N -0.799 108.125 108.800 0.206 0.000 2.632 35 G HA2 0.353 4.313 3.960 -0.000 0.000 0.224 35 G HA3 0.353 4.313 3.960 -0.000 0.000 0.224 35 G C 0.047 175.041 174.900 0.155 0.000 1.341 35 G CA 0.122 45.332 45.100 0.184 0.000 0.880 35 G HN 1.725 nan 8.290 nan 0.000 0.566 36 G N -2.881 105.983 108.800 0.107 0.000 3.000 36 G HA2 0.621 4.581 3.960 -0.000 0.000 0.170 36 G HA3 0.621 4.581 3.960 -0.000 0.000 0.170 36 G C 0.611 175.605 174.900 0.157 0.000 1.160 36 G CA 0.880 46.057 45.100 0.128 0.000 0.945 36 G HN 1.754 nan 8.290 nan 0.000 0.593 37 H N 1.095 120.169 119.070 0.007 0.000 2.524 37 H HA 0.092 4.648 4.556 -0.000 0.000 0.280 37 H C 1.246 176.561 175.328 -0.021 0.000 1.018 37 H CA 0.701 56.750 56.048 0.002 0.000 1.165 37 H CB -0.429 29.284 29.762 -0.082 0.000 1.411 37 H HN 0.379 nan 8.280 nan 0.000 0.569 38 N N 1.398 119.974 118.700 -0.207 0.000 2.457 38 N HA -0.002 4.738 4.740 -0.000 0.000 0.180 38 N C 0.741 176.236 175.510 -0.026 0.000 1.050 38 N CA 0.575 53.527 53.050 -0.163 0.000 0.906 38 N CB -0.185 38.222 38.487 -0.133 0.000 0.968 38 N HN 0.363 nan 8.380 nan 0.000 0.445 39 A N -0.142 122.695 122.820 0.028 0.000 2.340 39 A HA 0.679 4.998 4.320 -0.000 0.000 0.268 39 A C 0.429 178.011 177.584 -0.003 0.000 1.100 39 A CA -0.064 51.945 52.037 -0.047 0.000 0.803 39 A CB 0.327 19.323 19.000 -0.005 0.000 1.043 39 A HN 0.340 nan 8.150 nan 0.000 0.488 40 G N 0.983 109.586 108.800 -0.330 0.000 2.805 40 G HA2 0.542 4.501 3.960 -0.000 0.000 0.283 40 G HA3 0.542 4.501 3.960 -0.000 0.000 0.283 40 G C -1.264 173.325 174.900 -0.518 0.000 1.508 40 G CA -0.387 44.475 45.100 -0.397 0.000 1.042 40 G HN 0.825 nan 8.290 nan 0.000 0.543 41 H N 1.287 120.262 119.070 -0.158 0.000 2.638 41 H HA 0.432 4.988 4.556 -0.000 0.000 0.303 41 H C 0.012 175.288 175.328 -0.087 0.000 1.034 41 H CA -0.405 55.594 56.048 -0.083 0.000 1.225 41 H CB 1.472 31.206 29.762 -0.046 0.000 1.394 41 H HN 0.338 nan 8.280 nan 0.000 0.477 42 T N 4.911 119.485 114.554 0.034 0.000 2.856 42 T HA 0.383 4.733 4.350 -0.000 0.000 0.292 42 T C 0.146 174.871 174.700 0.041 0.000 0.980 42 T CA -0.601 61.510 62.100 0.018 0.000 1.091 42 T CB 0.518 69.393 68.868 0.011 0.000 0.936 42 T HN 0.298 nan 8.240 nan 0.000 0.503 43 L N 2.563 123.805 121.223 0.031 0.000 2.354 43 L HA 0.777 5.117 4.340 -0.000 0.000 0.269 43 L C -0.780 176.109 176.870 0.031 0.000 1.005 43 L CA -1.241 53.619 54.840 0.032 0.000 0.819 43 L CB 2.088 44.163 42.059 0.027 0.000 1.311 43 L HN 0.319 nan 8.230 nan 0.000 0.423 44 V N 3.731 123.665 119.914 0.034 0.000 2.445 44 V HA 0.378 4.498 4.120 -0.000 0.000 0.283 44 V C -0.548 175.565 176.094 0.031 0.000 1.014 44 V CA -0.151 62.170 62.300 0.036 0.000 0.852 44 V CB 1.684 33.536 31.823 0.048 0.000 1.021 44 V HN 0.479 nan 8.190 nan 0.000 0.435 45 I N 4.412 124.997 120.570 0.027 0.000 2.359 45 I HA 0.463 4.633 4.170 -0.000 0.000 0.284 45 I C 0.465 176.596 176.117 0.023 0.000 1.018 45 I CA -0.166 61.147 61.300 0.022 0.000 1.173 45 I CB 0.995 39.005 38.000 0.017 0.000 1.326 45 I HN 0.630 nan 8.210 nan 0.000 0.462 46 N N 5.294 124.009 118.700 0.025 0.000 2.740 46 N HA -0.203 4.537 4.740 -0.000 0.000 0.248 46 N C 0.881 176.409 175.510 0.031 0.000 1.062 46 N CA 1.354 54.420 53.050 0.026 0.000 0.704 46 N CB -0.936 37.563 38.487 0.020 0.000 0.968 46 N HN 1.098 nan 8.380 nan 0.000 0.547 47 G N -1.772 107.050 108.800 0.038 0.000 2.317 47 G HA2 -0.328 3.631 3.960 -0.000 0.000 0.227 47 G HA3 -0.328 3.631 3.960 -0.000 0.000 0.227 47 G C -0.097 174.823 174.900 0.034 0.000 1.042 47 G CA 0.201 45.325 45.100 0.039 0.000 0.623 47 G HN 0.465 nan 8.290 nan 0.000 0.509 48 E N 1.266 121.483 120.200 0.028 0.000 2.324 48 E HA 0.505 4.855 4.350 -0.000 0.000 0.271 48 E C 0.239 176.855 176.600 0.027 0.000 1.028 48 E CA 0.095 56.510 56.400 0.025 0.000 0.890 48 E CB 1.028 30.740 29.700 0.020 0.000 1.004 48 E HN 0.429 nan 8.360 nan 0.000 0.431 49 K N 2.597 123.013 120.400 0.027 0.000 2.293 49 K HA 0.309 4.629 4.320 -0.000 0.000 0.267 49 K C -1.088 175.525 176.600 0.022 0.000 1.010 49 K CA -0.352 55.952 56.287 0.027 0.000 0.875 49 K CB 0.810 33.328 32.500 0.030 0.000 1.106 49 K HN 0.388 nan 8.250 nan 0.000 0.450 50 T N 3.061 117.626 114.554 0.020 0.000 2.807 50 T HA 0.325 4.675 4.350 -0.000 0.000 0.279 50 T C -0.891 173.812 174.700 0.004 0.000 0.993 50 T CA -0.628 61.481 62.100 0.015 0.000 0.970 50 T CB 1.494 70.372 68.868 0.016 0.000 0.950 50 T HN 0.282 nan 8.240 nan 0.000 0.441 51 V N 5.165 125.073 119.914 -0.011 0.000 2.357 51 V HA 0.511 4.631 4.120 -0.000 0.000 0.284 51 V C -0.234 175.801 176.094 -0.099 0.000 1.018 51 V CA -0.729 61.533 62.300 -0.064 0.000 0.841 51 V CB 0.956 32.736 31.823 -0.070 0.000 0.991 51 V HN 0.713 nan 8.190 nan 0.000 0.437 52 L N 3.876 125.026 121.223 -0.122 0.000 2.304 52 L HA 0.706 5.046 4.340 -0.000 0.000 0.268 52 L C 0.659 177.393 176.870 -0.226 0.000 1.010 52 L CA -0.665 54.132 54.840 -0.071 0.000 0.813 52 L CB 1.855 43.938 42.059 0.040 0.000 1.315 52 L HN 0.636 nan 8.230 nan 0.000 0.445 53 H N -0.338 118.796 119.070 0.107 0.000 1.985 53 H HA 0.152 4.707 4.556 -0.000 0.000 0.159 53 H C 1.045 176.453 175.328 0.133 0.000 1.010 53 H CA 0.176 56.286 56.048 0.103 0.000 1.075 53 H CB 0.551 30.373 29.762 0.101 0.000 0.963 53 H HN 0.364 nan 8.280 nan 0.000 0.330 54 L N 1.726 123.113 121.223 0.274 0.000 2.145 54 L HA 0.239 4.579 4.340 -0.000 0.000 0.201 54 L C 0.817 177.756 176.870 0.114 0.000 1.075 54 L CA 0.962 55.901 54.840 0.166 0.000 0.773 54 L CB -0.173 41.949 42.059 0.105 0.000 0.936 54 L HN 0.093 nan 8.230 nan 0.000 0.451 55 I N 1.765 122.395 120.570 0.100 0.000 2.618 55 I HA 0.057 4.227 4.170 -0.000 0.000 0.284 55 I C -1.830 174.323 176.117 0.060 0.000 1.146 55 I CA -1.405 59.935 61.300 0.066 0.000 1.425 55 I CB 0.238 38.270 38.000 0.053 0.000 1.383 55 I HN 0.070 nan 8.210 nan 0.000 0.562 56 P HA 0.033 nan 4.420 nan 0.000 0.269 56 P C 0.275 177.577 177.300 0.003 0.000 1.209 56 P CA 0.065 63.174 63.100 0.014 0.000 0.776 56 P CB 0.544 32.254 31.700 0.017 0.000 0.876 57 S N 1.471 117.150 115.700 -0.035 0.000 2.723 57 S HA -0.007 4.462 4.470 -0.000 0.000 0.231 57 S C 1.665 176.260 174.600 -0.008 0.000 0.967 57 S CA 0.969 59.150 58.200 -0.032 0.000 0.958 57 S CB -0.850 62.297 63.200 -0.088 0.000 0.778 57 S HN 0.722 nan 8.310 nan 0.000 0.537 58 G N 0.264 109.065 108.800 0.003 0.000 3.126 58 G HA2 0.096 4.056 3.960 -0.000 0.000 0.224 58 G HA3 0.096 4.056 3.960 -0.000 0.000 0.224 58 G C 1.009 175.914 174.900 0.008 0.000 1.142 58 G CA -0.297 44.809 45.100 0.010 0.000 0.759 58 G HN 0.455 nan 8.290 nan 0.000 0.550 59 I N 0.912 121.489 120.570 0.011 0.000 2.335 59 I HA -0.057 4.113 4.170 -0.000 0.000 0.251 59 I C 2.085 178.206 176.117 0.007 0.000 1.129 59 I CA 1.087 62.394 61.300 0.012 0.000 1.402 59 I CB 0.111 38.122 38.000 0.017 0.000 1.069 59 I HN 0.104 nan 8.210 nan 0.000 0.424 60 L N 0.702 121.929 121.223 0.007 0.000 2.645 60 L HA 0.072 4.412 4.340 -0.000 0.000 0.235 60 L C 0.498 177.368 176.870 0.000 0.000 1.150 60 L CA 0.104 54.947 54.840 0.005 0.000 0.911 60 L CB -0.638 41.426 42.059 0.008 0.000 1.077 60 L HN 0.047 nan 8.230 nan 0.000 0.438 61 R N 0.823 121.321 120.500 -0.004 0.000 2.494 61 R HA 0.312 4.651 4.340 -0.000 0.000 0.305 61 R C -0.245 176.042 176.300 -0.021 0.000 0.959 61 R CA -0.501 55.592 56.100 -0.012 0.000 0.864 61 R CB 2.154 32.446 30.300 -0.013 0.000 1.159 61 R HN 0.047 nan 8.270 nan 0.000 0.446 62 E N 2.213 122.397 120.200 -0.026 0.000 2.349 62 E HA 0.025 4.374 4.350 -0.000 0.000 0.265 62 E C -0.218 176.351 176.600 -0.051 0.000 1.064 62 E CA -0.200 56.181 56.400 -0.033 0.000 0.886 62 E CB 0.530 30.213 29.700 -0.028 0.000 1.036 62 E HN 0.526 nan 8.360 nan 0.000 0.413 63 N N 0.853 119.516 118.700 -0.061 0.000 2.901 63 N HA -0.142 4.598 4.740 -0.000 0.000 0.248 63 N C -1.534 173.900 175.510 -0.125 0.000 1.044 63 N CA 0.733 53.728 53.050 -0.092 0.000 0.847 63 N CB -0.965 37.466 38.487 -0.093 0.000 1.127 63 N HN 0.191 nan 8.380 nan 0.000 0.562 64 V N 1.221 121.075 119.914 -0.100 0.000 2.488 64 V HA 0.303 4.423 4.120 -0.000 0.000 0.293 64 V C 0.119 176.176 176.094 -0.062 0.000 1.027 64 V CA -0.491 61.743 62.300 -0.110 0.000 0.862 64 V CB 2.067 33.852 31.823 -0.064 0.000 1.008 64 V HN 0.081 nan 8.190 nan 0.000 0.428 65 T N 3.277 117.792 114.554 -0.065 0.000 2.817 65 T HA 0.357 4.707 4.350 -0.000 0.000 0.293 65 T C 0.279 175.058 174.700 0.132 0.000 0.964 65 T CA -0.163 61.978 62.100 0.069 0.000 1.085 65 T CB 1.075 70.054 68.868 0.185 0.000 0.921 65 T HN 0.571 nan 8.240 nan 0.000 0.502 66 S N 2.875 118.627 115.700 0.086 0.000 2.480 66 S HA 0.573 5.043 4.470 -0.000 0.000 0.286 66 S C -0.116 174.522 174.600 0.064 0.000 1.180 66 S CA -0.702 57.539 58.200 0.068 0.000 1.075 66 S CB 0.305 63.530 63.200 0.041 0.000 0.996 66 S HN 0.506 nan 8.310 nan 0.000 0.487 67 I N 3.189 123.787 120.570 0.047 0.000 2.509 67 I HA 0.452 4.621 4.170 -0.000 0.000 0.293 67 I C -0.748 175.390 176.117 0.035 0.000 1.020 67 I CA -0.619 60.697 61.300 0.028 0.000 1.088 67 I CB 1.778 39.769 38.000 -0.016 0.000 1.267 67 I HN 0.448 nan 8.210 nan 0.000 0.430 68 I N 5.001 125.596 120.570 0.041 0.000 2.337 68 I HA 0.295 4.464 4.170 -0.000 0.000 0.285 68 I C 0.951 177.109 176.117 0.070 0.000 1.041 68 I CA -0.273 61.060 61.300 0.054 0.000 1.199 68 I CB 1.098 39.123 38.000 0.041 0.000 1.370 68 I HN 0.673 nan 8.210 nan 0.000 0.470 69 G N 4.561 113.426 108.800 0.108 0.000 2.664 69 G HA2 -0.064 3.896 3.960 -0.000 0.000 0.242 69 G HA3 -0.064 3.896 3.960 -0.000 0.000 0.242 69 G C 1.088 176.060 174.900 0.120 0.000 1.225 69 G CA -0.491 44.690 45.100 0.133 0.000 0.849 69 G HN 0.809 nan 8.290 nan 0.000 0.581 70 N N 0.335 119.106 118.700 0.117 0.000 2.443 70 N HA -0.109 4.631 4.740 -0.000 0.000 0.184 70 N C 1.881 177.464 175.510 0.121 0.000 1.037 70 N CA 1.188 54.298 53.050 0.101 0.000 0.896 70 N CB -0.266 38.277 38.487 0.095 0.000 0.959 70 N HN 0.519 nan 8.380 nan 0.000 0.442 71 G N 0.896 109.798 108.800 0.169 0.000 2.448 71 G HA2 -0.007 3.953 3.960 -0.000 0.000 0.218 71 G HA3 -0.007 3.953 3.960 -0.000 0.000 0.218 71 G C 0.586 175.609 174.900 0.205 0.000 1.135 71 G CA 0.049 45.279 45.100 0.217 0.000 0.784 71 G HN 0.215 nan 8.290 nan 0.000 0.543 72 V N 1.860 121.853 119.914 0.132 0.000 2.572 72 V HA 0.249 4.369 4.120 -0.000 0.000 0.291 72 V C 0.590 176.672 176.094 -0.019 0.000 1.039 72 V CA -0.835 61.514 62.300 0.081 0.000 1.055 72 V CB 1.151 33.013 31.823 0.066 0.000 0.969 72 V HN 0.217 nan 8.190 nan 0.000 0.482 73 V N 4.569 124.413 119.914 -0.118 0.000 2.498 73 V HA 0.589 4.708 4.120 -0.000 0.000 0.279 73 V C -0.300 175.737 176.094 -0.096 0.000 1.048 73 V CA -0.577 61.572 62.300 -0.250 0.000 0.967 73 V CB 1.211 32.707 31.823 -0.545 0.000 0.988 73 V HN 0.732 nan 8.190 nan 0.000 0.473 74 L N 4.484 125.657 121.223 -0.083 0.000 2.305 74 L HA 0.645 4.985 4.340 -0.000 0.000 0.284 74 L C 0.292 177.113 176.870 -0.081 0.000 1.013 74 L CA -0.156 54.649 54.840 -0.057 0.000 0.819 74 L CB 1.857 43.889 42.059 -0.046 0.000 1.227 74 L HN 0.904 nan 8.230 nan 0.000 0.417 75 S N 5.799 121.416 115.700 -0.137 0.000 2.422 75 S HA 0.452 4.922 4.470 -0.000 0.000 0.298 75 S C -1.885 172.602 174.600 -0.189 0.000 1.118 75 S CA -1.387 56.690 58.200 -0.205 0.000 1.083 75 S CB 1.273 64.185 63.200 -0.480 0.000 0.971 75 S HN 0.561 nan 8.310 nan 0.000 0.478 76 P HA 0.058 nan 4.420 nan 0.000 0.219 76 P C 1.361 178.591 177.300 -0.116 0.000 1.150 76 P CA 0.928 63.961 63.100 -0.112 0.000 0.814 76 P CB 0.068 31.708 31.700 -0.099 0.000 0.787 77 A N 0.638 123.383 122.820 -0.125 0.000 1.851 77 A HA -0.156 4.164 4.320 -0.000 0.000 0.216 77 A C 2.378 179.878 177.584 -0.140 0.000 1.195 77 A CA 2.441 54.410 52.037 -0.113 0.000 0.622 77 A CB -1.713 17.225 19.000 -0.104 0.000 0.831 77 A HN 0.183 nan 8.150 nan 0.000 0.444 78 A N -0.719 121.958 122.820 -0.238 0.000 1.908 78 A HA -0.080 4.239 4.320 -0.000 0.000 0.218 78 A C 2.166 179.660 177.584 -0.151 0.000 1.181 78 A CA 1.888 53.767 52.037 -0.262 0.000 0.627 78 A CB -0.727 17.904 19.000 -0.615 0.000 0.818 78 A HN 0.802 nan 8.150 nan 0.000 0.445 79 L N -0.859 120.277 121.223 -0.145 0.000 2.042 79 L HA -0.202 4.137 4.340 -0.000 0.000 0.210 79 L C 2.382 179.221 176.870 -0.051 0.000 1.076 79 L CA 2.098 56.893 54.840 -0.075 0.000 0.749 79 L CB -0.512 41.503 42.059 -0.073 0.000 0.893 79 L HN 0.313 nan 8.230 nan 0.000 0.432 80 M N -0.213 119.350 119.600 -0.061 0.000 2.126 80 M HA -0.272 4.208 4.480 -0.000 0.000 0.259 80 M C 2.339 178.622 176.300 -0.029 0.000 1.073 80 M CA 2.070 57.344 55.300 -0.043 0.000 1.103 80 M CB -1.422 31.149 32.600 -0.048 0.000 1.284 80 M HN 0.321 nan 8.290 nan 0.000 0.420 81 K N 0.200 120.581 120.400 -0.033 0.000 2.107 81 K HA -0.257 4.063 4.320 -0.000 0.000 0.211 81 K C 1.916 178.518 176.600 0.004 0.000 1.049 81 K CA 2.179 58.456 56.287 -0.016 0.000 0.927 81 K CB -0.171 32.315 32.500 -0.023 0.000 0.714 81 K HN 0.386 nan 8.250 nan 0.000 0.452 82 E N -0.241 119.963 120.200 0.008 0.000 2.152 82 E HA -0.116 4.234 4.350 -0.000 0.000 0.192 82 E C 2.008 178.622 176.600 0.024 0.000 0.983 82 E CA 0.852 57.273 56.400 0.035 0.000 0.818 82 E CB 0.071 29.805 29.700 0.057 0.000 0.758 82 E HN 0.371 nan 8.360 nan 0.000 0.467 83 M N 0.215 119.819 119.600 0.008 0.000 2.123 83 M HA -0.119 4.361 4.480 -0.000 0.000 0.263 83 M C 2.433 178.736 176.300 0.006 0.000 1.069 83 M CA 1.193 56.497 55.300 0.006 0.000 1.133 83 M CB -0.094 32.504 32.600 -0.004 0.000 1.356 83 M HN -0.060 nan 8.290 nan 0.000 0.415 84 K N 0.797 121.198 120.400 0.002 0.000 2.057 84 K HA -0.193 4.126 4.320 -0.000 0.000 0.207 84 K C 1.621 178.226 176.600 0.008 0.000 1.049 84 K CA 1.648 57.936 56.287 0.003 0.000 0.931 84 K CB -0.032 32.468 32.500 -0.001 0.000 0.714 84 K HN 0.393 nan 8.250 nan 0.000 0.440 85 E N 0.581 120.789 120.200 0.014 0.000 2.070 85 E HA -0.221 4.129 4.350 -0.000 0.000 0.197 85 E C 2.159 178.769 176.600 0.017 0.000 1.004 85 E CA 1.528 57.939 56.400 0.018 0.000 0.805 85 E CB -0.155 29.562 29.700 0.028 0.000 0.744 85 E HN 0.285 nan 8.360 nan 0.000 0.451 86 L N 0.492 121.726 121.223 0.018 0.000 2.072 86 L HA -0.148 4.192 4.340 -0.000 0.000 0.205 86 L C 2.532 179.409 176.870 0.011 0.000 1.079 86 L CA 0.987 55.837 54.840 0.016 0.000 0.752 86 L CB -0.200 41.870 42.059 0.017 0.000 0.906 86 L HN 0.050 nan 8.230 nan 0.000 0.436 87 E N 0.287 120.492 120.200 0.009 0.000 2.118 87 E HA -0.232 4.118 4.350 -0.000 0.000 0.195 87 E C 1.668 178.272 176.600 0.005 0.000 0.992 87 E CA 1.335 57.739 56.400 0.006 0.000 0.804 87 E CB 0.076 29.778 29.700 0.003 0.000 0.741 87 E HN 0.364 nan 8.360 nan 0.000 0.458 88 D N -0.322 120.082 120.400 0.007 0.000 2.097 88 D HA -0.093 4.547 4.640 -0.000 0.000 0.197 88 D C 1.683 177.987 176.300 0.007 0.000 0.984 88 D CA 0.901 54.905 54.000 0.006 0.000 0.826 88 D CB -0.172 40.632 40.800 0.007 0.000 0.973 88 D HN 0.129 nan 8.370 nan 0.000 0.460 89 R N -0.385 120.121 120.500 0.009 0.000 2.341 89 R HA 0.057 4.396 4.340 -0.000 0.000 0.213 89 R C 1.281 177.585 176.300 0.007 0.000 1.082 89 R CA 0.824 56.929 56.100 0.009 0.000 1.017 89 R CB 0.022 30.328 30.300 0.011 0.000 0.860 89 R HN 0.268 nan 8.270 nan 0.000 0.473 90 G N 0.211 109.014 108.800 0.006 0.000 2.179 90 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.220 90 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.220 90 G C 0.051 174.954 174.900 0.004 0.000 0.990 90 G CA -0.491 44.611 45.100 0.004 0.000 0.646 90 G HN 0.101 nan 8.290 nan 0.000 0.517 91 I N 1.992 122.565 120.570 0.005 0.000 2.396 91 I HA 0.277 4.447 4.170 -0.000 0.000 0.289 91 I C -1.697 174.423 176.117 0.005 0.000 1.056 91 I CA -3.007 58.296 61.300 0.005 0.000 1.365 91 I CB 0.480 38.485 38.000 0.008 0.000 1.407 91 I HN -0.053 nan 8.210 nan 0.000 0.509 92 P HA 0.116 nan 4.420 nan 0.000 0.226 92 P C 1.121 178.424 177.300 0.005 0.000 1.783 92 P CA -0.091 63.010 63.100 0.003 0.000 0.980 92 P CB 0.445 32.145 31.700 0.000 0.000 1.967 93 V N 2.497 122.415 119.914 0.006 0.000 2.220 93 V HA -0.312 3.808 4.120 -0.000 0.000 0.250 93 V C 2.689 178.788 176.094 0.009 0.000 1.056 93 V CA 2.048 64.354 62.300 0.009 0.000 1.016 93 V CB -1.122 30.706 31.823 0.009 0.000 0.639 93 V HN 0.367 nan 8.190 nan 0.000 0.446 94 R N -0.534 119.970 120.500 0.006 0.000 2.204 94 R HA -0.263 4.077 4.340 -0.000 0.000 0.253 94 R C 2.290 178.596 176.300 0.009 0.000 1.172 94 R CA 1.920 58.024 56.100 0.006 0.000 0.994 94 R CB -0.283 30.019 30.300 0.002 0.000 0.874 94 R HN 0.685 nan 8.270 nan 0.000 0.462 95 E N 0.044 120.249 120.200 0.009 0.000 2.318 95 E HA -0.049 4.301 4.350 -0.000 0.000 0.193 95 E C 1.356 177.964 176.600 0.013 0.000 0.998 95 E CA 0.306 56.711 56.400 0.010 0.000 0.859 95 E CB 0.374 30.077 29.700 0.005 0.000 0.812 95 E HN 0.234 nan 8.360 nan 0.000 0.492 96 R N -0.371 120.138 120.500 0.015 0.000 2.365 96 R HA 0.196 4.536 4.340 -0.000 0.000 0.223 96 R C -0.075 176.245 176.300 0.033 0.000 0.899 96 R CA -0.327 55.785 56.100 0.020 0.000 1.059 96 R CB 0.644 30.951 30.300 0.011 0.000 1.086 96 R HN 0.016 nan 8.270 nan 0.000 0.522 97 L N 0.911 122.152 121.223 0.030 0.000 2.360 97 L HA 0.517 4.857 4.340 -0.000 0.000 0.271 97 L C -1.064 175.828 176.870 0.036 0.000 1.057 97 L CA -0.413 54.447 54.840 0.033 0.000 0.803 97 L CB 1.220 43.293 42.059 0.023 0.000 1.207 97 L HN -0.099 nan 8.230 nan 0.000 0.445 98 L N 4.472 125.717 121.223 0.038 0.000 2.472 98 L HA 0.521 4.861 4.340 -0.000 0.000 0.260 98 L C -1.140 175.747 176.870 0.029 0.000 0.963 98 L CA -0.534 54.327 54.840 0.035 0.000 0.829 98 L CB 2.075 44.157 42.059 0.038 0.000 1.348 98 L HN 0.515 nan 8.230 nan 0.000 0.408 99 L N 0.514 121.754 121.223 0.028 0.000 2.271 99 L HA 0.667 5.007 4.340 -0.000 0.000 0.265 99 L C -0.089 176.804 176.870 0.038 0.000 1.013 99 L CA -0.767 54.088 54.840 0.026 0.000 0.820 99 L CB 1.972 44.037 42.059 0.009 0.000 1.352 99 L HN 0.553 nan 8.230 nan 0.000 0.443 100 S N -0.648 115.077 115.700 0.041 0.000 2.478 100 S HA 0.156 4.626 4.470 -0.000 0.000 0.312 100 S C 0.532 175.166 174.600 0.056 0.000 1.094 100 S CA -0.693 57.541 58.200 0.056 0.000 1.081 100 S CB 1.159 64.396 63.200 0.061 0.000 1.007 100 S HN 0.749 nan 8.310 nan 0.000 0.475 101 E N 3.629 123.881 120.200 0.088 0.000 2.515 101 E HA 0.031 4.381 4.350 -0.000 0.000 0.201 101 E C 1.021 177.669 176.600 0.080 0.000 1.071 101 E CA 0.768 57.225 56.400 0.094 0.000 0.880 101 E CB -0.097 29.746 29.700 0.240 0.000 0.828 101 E HN 0.605 nan 8.360 nan 0.000 0.540 102 A N 0.369 123.232 122.820 0.072 0.000 2.348 102 A HA 0.176 4.496 4.320 -0.000 0.000 0.224 102 A C 0.722 178.338 177.584 0.052 0.000 1.227 102 A CA -0.416 51.662 52.037 0.069 0.000 0.885 102 A CB 0.045 19.089 19.000 0.074 0.000 0.933 102 A HN 0.392 nan 8.150 nan 0.000 0.506 103 C N 3.049 122.371 119.300 0.036 0.000 2.648 103 C HA 0.327 4.786 4.460 -0.000 0.000 0.415 103 C C -1.729 173.258 174.990 -0.005 0.000 1.366 103 C CA -1.012 58.014 59.018 0.013 0.000 1.756 103 C CB -0.163 27.578 27.740 0.002 0.000 2.549 103 C HN 0.444 nan 8.230 nan 0.000 0.597 104 P HA 0.265 nan 4.420 nan 0.000 0.274 104 P C -0.922 176.352 177.300 -0.043 0.000 1.260 104 P CA -0.028 63.051 63.100 -0.035 0.000 0.793 104 P CB 0.614 32.251 31.700 -0.106 0.000 1.048 105 L N 0.592 121.820 121.223 0.009 0.000 2.329 105 L HA 0.488 4.828 4.340 -0.000 0.000 0.279 105 L C 0.333 177.209 176.870 0.011 0.000 1.014 105 L CA -0.832 54.020 54.840 0.021 0.000 0.814 105 L CB 1.246 43.369 42.059 0.106 0.000 1.257 105 L HN 0.195 nan 8.230 nan 0.000 0.424 106 I N 4.236 124.788 120.570 -0.030 0.000 2.321 106 I HA 0.405 4.575 4.170 -0.000 0.000 0.291 106 I C -0.400 175.739 176.117 0.036 0.000 0.998 106 I CA -0.231 61.073 61.300 0.006 0.000 1.227 106 I CB 1.199 39.179 38.000 -0.034 0.000 1.368 106 I HN 0.377 nan 8.210 nan 0.000 0.466 107 L N 4.683 125.903 121.223 -0.004 0.000 2.301 107 L HA 0.432 4.772 4.340 -0.000 0.000 0.264 107 L C 0.733 177.378 176.870 -0.374 0.000 1.016 107 L CA -0.683 54.011 54.840 -0.243 0.000 0.821 107 L CB 1.595 43.498 42.059 -0.260 0.000 1.346 107 L HN 0.476 nan 8.230 nan 0.000 0.429 108 D N -0.182 120.122 120.400 -0.160 0.000 2.242 108 D HA -0.321 4.319 4.640 -0.000 0.000 0.190 108 D C 1.603 177.847 176.300 -0.093 0.000 1.012 108 D CA 2.706 56.666 54.000 -0.067 0.000 0.875 108 D CB -0.295 40.526 40.800 0.034 0.000 0.922 108 D HN 0.676 nan 8.370 nan 0.000 0.448 109 Y N -1.166 119.057 120.300 -0.128 0.000 2.483 109 Y HA -0.038 4.512 4.550 -0.000 0.000 0.291 109 Y C 1.824 177.577 175.900 -0.245 0.000 1.143 109 Y CA 1.071 59.058 58.100 -0.188 0.000 1.289 109 Y CB -1.156 37.183 38.460 -0.201 0.000 0.983 109 Y HN 0.224 nan 8.280 nan 0.000 0.556 110 H N -0.384 118.448 119.070 -0.397 0.000 2.372 110 H HA -0.031 4.525 4.556 -0.000 0.000 0.301 110 H C 2.185 177.423 175.328 -0.150 0.000 1.065 110 H CA 1.329 57.211 56.048 -0.276 0.000 1.364 110 H CB -0.034 29.545 29.762 -0.306 0.000 1.406 110 H HN 0.240 nan 8.280 nan 0.000 0.521 111 V N 0.972 120.882 119.914 -0.006 0.000 2.407 111 V HA -0.270 3.850 4.120 -0.000 0.000 0.248 111 V C 2.552 178.630 176.094 -0.027 0.000 1.055 111 V CA 1.631 63.923 62.300 -0.012 0.000 1.049 111 V CB -0.854 30.965 31.823 -0.006 0.000 0.662 111 V HN 0.555 nan 8.190 nan 0.000 0.455 112 A N -0.440 122.365 122.820 -0.025 0.000 1.898 112 A HA -0.111 4.209 4.320 -0.000 0.000 0.216 112 A C 2.249 179.794 177.584 -0.065 0.000 1.181 112 A CA 1.563 53.585 52.037 -0.025 0.000 0.620 112 A CB -0.478 18.530 19.000 0.013 0.000 0.819 112 A HN 0.466 nan 8.150 nan 0.000 0.442 113 L N -0.556 120.631 121.223 -0.060 0.000 2.046 113 L HA -0.185 4.155 4.340 -0.000 0.000 0.208 113 L C 2.459 179.232 176.870 -0.162 0.000 1.077 113 L CA 1.761 56.532 54.840 -0.114 0.000 0.747 113 L CB -0.489 41.555 42.059 -0.025 0.000 0.896 113 L HN 0.436 nan 8.230 nan 0.000 0.432 114 D N 0.170 120.520 120.400 -0.083 0.000 2.104 114 D HA -0.203 4.437 4.640 -0.000 0.000 0.194 114 D C 1.831 178.074 176.300 -0.095 0.000 0.994 114 D CA 1.359 55.316 54.000 -0.072 0.000 0.830 114 D CB -0.011 40.764 40.800 -0.043 0.000 0.959 114 D HN 0.198 nan 8.370 nan 0.000 0.452 115 N N 0.313 118.958 118.700 -0.091 0.000 2.142 115 N HA -0.078 4.662 4.740 -0.000 0.000 0.186 115 N C 1.768 177.202 175.510 -0.127 0.000 1.023 115 N CA 1.397 54.397 53.050 -0.084 0.000 0.852 115 N CB -0.638 37.813 38.487 -0.059 0.000 0.998 115 N HN 0.248 nan 8.380 nan 0.000 0.424 116 A N 1.805 124.500 122.820 -0.208 0.000 1.883 116 A HA -0.139 4.181 4.320 -0.000 0.000 0.217 116 A C 2.247 179.596 177.584 -0.390 0.000 1.186 116 A CA 1.386 53.222 52.037 -0.336 0.000 0.624 116 A CB -0.517 18.136 19.000 -0.579 0.000 0.822 116 A HN 0.262 nan 8.150 nan 0.000 0.444 117 R N -0.578 119.667 120.500 -0.425 0.000 2.096 117 R HA -0.089 4.250 4.340 -0.000 0.000 0.235 117 R C 2.075 178.333 176.300 -0.070 0.000 1.127 117 R CA 1.271 57.248 56.100 -0.206 0.000 0.968 117 R CB -0.229 30.003 30.300 -0.113 0.000 0.861 117 R HN 0.527 nan 8.270 nan 0.000 0.440 118 E N 0.987 121.141 120.200 -0.077 0.000 2.072 118 E HA -0.138 4.212 4.350 -0.000 0.000 0.190 118 E C 1.777 178.367 176.600 -0.017 0.000 0.982 118 E CA 1.124 57.503 56.400 -0.035 0.000 0.803 118 E CB 0.079 29.758 29.700 -0.035 0.000 0.755 118 E HN 0.338 nan 8.360 nan 0.000 0.453 119 K N 0.512 120.895 120.400 -0.029 0.000 2.148 119 K HA -0.037 4.283 4.320 -0.000 0.000 0.204 119 K C 2.062 178.670 176.600 0.015 0.000 1.050 119 K CA 1.007 57.289 56.287 -0.009 0.000 0.942 119 K CB -0.024 32.465 32.500 -0.017 0.000 0.724 119 K HN 0.002 nan 8.250 nan 0.000 0.446 120 A N 1.399 124.238 122.820 0.032 0.000 2.014 120 A HA -0.079 4.241 4.320 -0.000 0.000 0.218 120 A C 1.904 179.532 177.584 0.073 0.000 1.163 120 A CA 0.791 52.878 52.037 0.083 0.000 0.652 120 A CB -0.207 18.910 19.000 0.194 0.000 0.808 120 A HN 0.164 nan 8.150 nan 0.000 0.449 121 R N -0.804 119.727 120.500 0.053 0.000 2.237 121 R HA 0.079 4.418 4.340 -0.000 0.000 0.219 121 R C 1.744 178.069 176.300 0.042 0.000 1.080 121 R CA 0.482 56.609 56.100 0.045 0.000 0.995 121 R CB -0.444 29.872 30.300 0.027 0.000 0.875 121 R HN 0.633 nan 8.270 nan 0.000 0.462 122 G N 0.462 109.283 108.800 0.035 0.000 2.634 122 G HA2 -0.474 3.486 3.960 -0.000 0.000 0.318 122 G HA3 -0.474 3.486 3.960 -0.000 0.000 0.318 122 G C 0.928 175.846 174.900 0.031 0.000 1.207 122 G CA 0.651 45.768 45.100 0.029 0.000 0.987 122 G HN 0.428 nan 8.290 nan 0.000 0.547 123 A N -0.207 122.632 122.820 0.032 0.000 2.066 123 A HA 0.211 4.530 4.320 -0.000 0.000 0.218 123 A C 1.925 179.541 177.584 0.053 0.000 1.157 123 A CA 2.139 54.196 52.037 0.032 0.000 0.670 123 A CB -0.213 18.802 19.000 0.026 0.000 0.804 123 A HN 0.588 nan 8.150 nan 0.000 0.453 124 K N 0.431 120.874 120.400 0.071 0.000 2.577 124 K HA 0.418 4.738 4.320 -0.000 0.000 0.210 124 K C 0.299 176.979 176.600 0.134 0.000 1.048 124 K CA 0.059 56.419 56.287 0.122 0.000 1.188 124 K CB 0.220 32.781 32.500 0.102 0.000 0.910 124 K HN 0.405 nan 8.250 nan 0.000 0.483 125 A N 0.863 123.741 122.820 0.097 0.000 2.483 125 A HA 0.105 4.424 4.320 -0.000 0.000 0.238 125 A C 1.199 178.875 177.584 0.154 0.000 1.070 125 A CA -0.115 51.968 52.037 0.077 0.000 0.770 125 A CB 0.115 19.140 19.000 0.043 0.000 1.008 125 A HN 0.303 nan 8.150 nan 0.000 0.497 126 I N 0.942 121.574 120.570 0.103 0.000 2.333 126 I HA 0.071 4.241 4.170 -0.000 0.000 0.246 126 I C 1.719 177.917 176.117 0.134 0.000 1.106 126 I CA 1.490 62.886 61.300 0.158 0.000 1.411 126 I CB -0.223 37.770 38.000 -0.011 0.000 1.082 126 I HN 0.963 nan 8.210 nan 0.000 0.420 127 G N 1.243 110.075 108.800 0.053 0.000 2.151 127 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.156 127 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.156 127 G C 0.266 175.167 174.900 0.003 0.000 1.017 127 G CA -0.130 44.983 45.100 0.021 0.000 0.686 127 G HN 0.195 nan 8.290 nan 0.000 0.503 128 T N 1.085 115.636 114.554 -0.004 0.000 2.908 128 T HA 0.302 4.652 4.350 -0.000 0.000 0.325 128 T C 2.153 176.833 174.700 -0.034 0.000 1.092 128 T CA 1.163 63.250 62.100 -0.022 0.000 1.125 128 T CB 0.836 69.686 68.868 -0.030 0.000 1.016 128 T HN 0.938 nan 8.240 nan 0.000 0.550 129 T N -0.543 113.980 114.554 -0.051 0.000 3.072 129 T HA 0.164 4.514 4.350 -0.000 0.000 0.266 129 T C 1.749 176.403 174.700 -0.078 0.000 1.127 129 T CA 0.602 62.661 62.100 -0.069 0.000 1.107 129 T CB -0.437 68.368 68.868 -0.104 0.000 0.910 129 T HN 1.187 nan 8.240 nan 0.000 0.513 130 G N 2.216 110.974 108.800 -0.070 0.000 2.143 130 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.248 130 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.248 130 G C 0.815 175.672 174.900 -0.072 0.000 0.991 130 G CA 0.164 45.227 45.100 -0.061 0.000 0.689 130 G HN 0.566 nan 8.290 nan 0.000 0.522 131 R N 0.292 120.717 120.500 -0.125 0.000 2.388 131 R HA 0.371 4.711 4.340 -0.000 0.000 0.247 131 R C 1.691 177.942 176.300 -0.082 0.000 0.931 131 R CA 0.485 56.489 56.100 -0.160 0.000 1.082 131 R CB 0.019 29.982 30.300 -0.562 0.000 1.135 131 R HN 1.387 nan 8.270 nan 0.000 0.525 132 G N 2.025 110.790 108.800 -0.058 0.000 2.176 132 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.252 132 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.252 132 G C 0.849 175.699 174.900 -0.083 0.000 1.024 132 G CA 0.160 45.241 45.100 -0.032 0.000 0.755 132 G HN 0.254 nan 8.290 nan 0.000 0.507 133 I N 0.592 121.120 120.570 -0.070 0.000 2.163 133 I HA -0.045 4.124 4.170 -0.000 0.000 0.240 133 I C 2.941 179.103 176.117 0.074 0.000 1.081 133 I CA 2.054 63.339 61.300 -0.025 0.000 1.353 133 I CB -1.669 36.350 38.000 0.032 0.000 1.054 133 I HN 0.261 nan 8.210 nan 0.000 0.407 134 G N 2.078 110.924 108.800 0.076 0.000 2.421 134 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.216 134 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.216 134 G C -0.416 174.532 174.900 0.080 0.000 1.171 134 G CA 0.617 45.785 45.100 0.113 0.000 0.775 134 G HN 0.298 nan 8.290 nan 0.000 0.543 135 P HA -0.073 nan 4.420 nan 0.000 0.216 135 P C 2.211 179.439 177.300 -0.121 0.000 1.153 135 P CA 2.005 65.136 63.100 0.052 0.000 0.858 135 P CB -0.114 31.652 31.700 0.111 0.000 0.789 136 A N -1.672 120.854 122.820 -0.490 0.000 1.902 136 A HA -0.221 4.098 4.320 -0.000 0.000 0.217 136 A C 1.976 179.373 177.584 -0.311 0.000 1.181 136 A CA 1.484 53.066 52.037 -0.758 0.000 0.623 136 A CB -1.927 16.628 19.000 -0.741 0.000 0.818 136 A HN 0.141 nan 8.150 nan 0.000 0.443 137 Y N -0.255 119.982 120.300 -0.106 0.000 2.421 137 Y HA -0.079 4.471 4.550 -0.000 0.000 0.292 137 Y C 2.397 178.310 175.900 0.021 0.000 1.136 137 Y CA 1.354 59.440 58.100 -0.024 0.000 1.255 137 Y CB -0.091 38.363 38.460 -0.010 0.000 0.991 137 Y HN 0.508 nan 8.280 nan 0.000 0.552 138 E N -0.086 120.219 120.200 0.175 0.000 2.076 138 E HA -0.168 4.182 4.350 -0.000 0.000 0.190 138 E C 1.279 177.989 176.600 0.183 0.000 0.979 138 E CA 1.062 57.568 56.400 0.177 0.000 0.807 138 E CB 0.097 29.909 29.700 0.187 0.000 0.761 138 E HN 0.347 nan 8.360 nan 0.000 0.454 139 D N 0.690 121.215 120.400 0.209 0.000 2.144 139 D HA -0.172 4.468 4.640 -0.000 0.000 0.199 139 D C 1.783 178.174 176.300 0.151 0.000 0.984 139 D CA 0.973 55.121 54.000 0.247 0.000 0.834 139 D CB -0.128 40.908 40.800 0.393 0.000 0.955 139 D HN 0.137 nan 8.370 nan 0.000 0.465 140 K N 0.814 121.280 120.400 0.111 0.000 1.978 140 K HA -0.149 4.171 4.320 -0.000 0.000 0.214 140 K C 2.027 178.685 176.600 0.097 0.000 1.049 140 K CA 1.928 58.271 56.287 0.093 0.000 0.939 140 K CB -0.222 32.325 32.500 0.079 0.000 0.721 140 K HN 0.125 nan 8.250 nan 0.000 0.441 141 V N -1.222 118.759 119.914 0.113 0.000 3.026 141 V HA 0.023 4.143 4.120 -0.000 0.000 0.265 141 V C 1.813 177.948 176.094 0.068 0.000 1.121 141 V CA 1.644 63.997 62.300 0.089 0.000 1.142 141 V CB -0.664 31.212 31.823 0.088 0.000 0.730 141 V HN 0.376 nan 8.190 nan 0.000 0.503 142 A N -0.024 122.841 122.820 0.074 0.000 2.275 142 A HA 0.318 4.638 4.320 -0.000 0.000 0.212 142 A C 1.531 179.127 177.584 0.021 0.000 1.201 142 A CA 0.342 52.405 52.037 0.044 0.000 0.843 142 A CB -0.426 18.605 19.000 0.051 0.000 0.873 142 A HN 0.664 nan 8.150 nan 0.000 0.492 143 R N -1.643 118.881 120.500 0.040 0.000 3.953 143 R HA -0.253 4.087 4.340 -0.000 0.000 0.340 143 R C 1.284 177.598 176.300 0.022 0.000 1.195 143 R CA 1.440 57.558 56.100 0.031 0.000 0.929 143 R CB -1.929 28.381 30.300 0.016 0.000 1.402 143 R HN 0.798 nan 8.270 nan 0.000 0.540 144 R N 0.771 121.288 120.500 0.028 0.000 2.265 144 R HA 0.110 4.450 4.340 -0.000 0.000 0.194 144 R C 0.947 177.296 176.300 0.081 0.000 0.931 144 R CA 0.703 56.812 56.100 0.014 0.000 1.032 144 R CB 0.380 30.650 30.300 -0.050 0.000 0.980 144 R HN 0.112 nan 8.270 nan 0.000 0.497 145 G N 1.610 110.489 108.800 0.132 0.000 2.636 145 G HA2 0.342 4.302 3.960 -0.000 0.000 0.246 145 G HA3 0.342 4.302 3.960 -0.000 0.000 0.246 145 G C -0.429 174.561 174.900 0.150 0.000 1.216 145 G CA -0.648 44.562 45.100 0.183 0.000 0.854 145 G HN 0.089 nan 8.290 nan 0.000 0.572 146 L N 0.182 121.520 121.223 0.193 0.000 2.379 146 L HA 0.599 4.939 4.340 -0.000 0.000 0.269 146 L C 0.741 177.712 176.870 0.168 0.000 1.084 146 L CA -0.616 54.344 54.840 0.200 0.000 0.802 146 L CB 1.216 43.452 42.059 0.295 0.000 1.175 146 L HN 0.489 nan 8.230 nan 0.000 0.448 147 R N 0.834 121.423 120.500 0.148 0.000 2.867 147 R HA 0.362 4.702 4.340 -0.000 0.000 0.268 147 R C 0.654 176.981 176.300 0.045 0.000 1.014 147 R CA -0.972 55.178 56.100 0.084 0.000 0.946 147 R CB 1.719 32.064 30.300 0.075 0.000 1.208 147 R HN 0.267 nan 8.270 nan 0.000 0.477 148 V N 1.290 121.194 119.914 -0.017 0.000 2.317 148 V HA -0.267 3.853 4.120 -0.000 0.000 0.251 148 V C 2.288 178.255 176.094 -0.212 0.000 1.065 148 V CA 2.655 64.882 62.300 -0.122 0.000 1.049 148 V CB -0.826 30.922 31.823 -0.124 0.000 0.651 148 V HN 1.124 nan 8.190 nan 0.000 0.450 149 G N -0.551 108.204 108.800 -0.075 0.000 2.505 149 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.220 149 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.220 149 G C 1.237 176.155 174.900 0.029 0.000 1.145 149 G CA 1.120 46.233 45.100 0.023 0.000 0.761 149 G HN 0.513 nan 8.290 nan 0.000 0.571 150 D N 0.307 120.752 120.400 0.075 0.000 2.271 150 D HA -0.068 4.572 4.640 -0.000 0.000 0.207 150 D C 2.445 178.816 176.300 0.118 0.000 0.983 150 D CA 0.456 54.561 54.000 0.176 0.000 0.878 150 D CB -0.093 40.888 40.800 0.301 0.000 0.920 150 D HN 0.350 nan 8.370 nan 0.000 0.479 151 L N -0.564 120.557 121.223 -0.169 0.000 2.395 151 L HA -0.051 4.289 4.340 -0.000 0.000 0.218 151 L C 1.833 178.566 176.870 -0.227 0.000 1.130 151 L CA 0.058 54.690 54.840 -0.345 0.000 0.826 151 L CB -0.257 41.489 42.059 -0.521 0.000 0.941 151 L HN -0.079 nan 8.230 nan 0.000 0.451 152 F N -0.374 119.574 119.950 -0.005 0.000 2.333 152 F HA -0.149 4.378 4.527 -0.000 0.000 0.300 152 F C 1.302 177.115 175.800 0.022 0.000 1.083 152 F CA 0.896 58.898 58.000 0.005 0.000 1.395 152 F CB -0.211 38.799 39.000 0.015 0.000 1.056 152 F HN 0.040 nan 8.300 nan 0.000 0.529 153 D N 0.416 120.934 120.400 0.197 0.000 2.446 153 D HA 0.060 4.700 4.640 -0.000 0.000 0.251 153 D C 0.706 177.098 176.300 0.153 0.000 1.137 153 D CA -0.092 54.004 54.000 0.159 0.000 0.890 153 D CB 0.853 41.747 40.800 0.156 0.000 1.071 153 D HN -0.029 nan 8.370 nan 0.000 0.528 154 K N 2.478 122.945 120.400 0.112 0.000 2.074 154 K HA -0.192 4.128 4.320 -0.000 0.000 0.209 154 K C 1.639 178.341 176.600 0.171 0.000 1.048 154 K CA 1.187 57.545 56.287 0.118 0.000 0.926 154 K CB -0.080 32.460 32.500 0.067 0.000 0.713 154 K HN 0.552 nan 8.250 nan 0.000 0.444 155 E N 1.040 121.317 120.200 0.129 0.000 2.051 155 E HA -0.135 4.215 4.350 -0.000 0.000 0.192 155 E C 1.949 178.623 176.600 0.123 0.000 0.991 155 E CA 1.429 57.897 56.400 0.114 0.000 0.799 155 E CB -1.103 28.647 29.700 0.082 0.000 0.748 155 E HN 0.201 nan 8.360 nan 0.000 0.449 156 T N 1.232 115.864 114.554 0.129 0.000 2.777 156 T HA -0.094 4.256 4.350 -0.000 0.000 0.266 156 T C 1.445 176.221 174.700 0.127 0.000 1.040 156 T CA 1.177 63.344 62.100 0.112 0.000 1.141 156 T CB -0.583 68.353 68.868 0.112 0.000 0.868 156 T HN 0.174 nan 8.240 nan 0.000 0.444 157 F N 2.424 122.407 119.950 0.055 0.000 2.147 157 F HA -0.196 4.330 4.527 -0.000 0.000 0.301 157 F C 2.348 178.193 175.800 0.075 0.000 1.084 157 F CA 1.090 59.122 58.000 0.053 0.000 1.268 157 F CB -0.654 38.363 39.000 0.029 0.000 1.009 157 F HN 0.155 nan 8.300 nan 0.000 0.486 158 A N -0.049 122.834 122.820 0.104 0.000 1.858 158 A HA -0.195 4.125 4.320 -0.000 0.000 0.216 158 A C 2.159 179.776 177.584 0.055 0.000 1.190 158 A CA 1.754 53.846 52.037 0.091 0.000 0.617 158 A CB -0.995 18.107 19.000 0.171 0.000 0.827 158 A HN 0.522 nan 8.150 nan 0.000 0.443 159 E N 0.010 120.231 120.200 0.035 0.000 2.049 159 E HA -0.239 4.111 4.350 -0.000 0.000 0.198 159 E C 2.134 178.710 176.600 -0.040 0.000 1.007 159 E CA 1.684 58.085 56.400 0.002 0.000 0.809 159 E CB -0.208 29.497 29.700 0.007 0.000 0.749 159 E HN 0.587 nan 8.360 nan 0.000 0.450 160 K N 0.463 120.820 120.400 -0.073 0.000 2.026 160 K HA -0.161 4.159 4.320 -0.000 0.000 0.208 160 K C 2.324 178.840 176.600 -0.140 0.000 1.048 160 K CA 0.868 57.096 56.287 -0.099 0.000 0.929 160 K CB -0.358 32.087 32.500 -0.092 0.000 0.713 160 K HN 0.052 nan 8.250 nan 0.000 0.439 161 L N 2.350 123.417 121.223 -0.260 0.000 2.043 161 L HA -0.212 4.128 4.340 -0.000 0.000 0.212 161 L C 2.316 179.201 176.870 0.025 0.000 1.075 161 L CA 1.862 56.575 54.840 -0.212 0.000 0.752 161 L CB -0.404 41.417 42.059 -0.396 0.000 0.891 161 L HN 0.050 nan 8.230 nan 0.000 0.432 162 K N 0.147 120.604 120.400 0.094 0.000 2.026 162 K HA -0.202 4.118 4.320 -0.000 0.000 0.208 162 K C 1.948 178.477 176.600 -0.118 0.000 1.048 162 K CA 2.100 58.326 56.287 -0.101 0.000 0.929 162 K CB -0.197 32.127 32.500 -0.293 0.000 0.713 162 K HN 0.597 nan 8.250 nan 0.000 0.439 163 E N 0.112 120.253 120.200 -0.098 0.000 2.031 163 E HA -0.150 4.200 4.350 -0.000 0.000 0.193 163 E C 2.092 178.637 176.600 -0.092 0.000 0.994 163 E CA 1.461 57.805 56.400 -0.093 0.000 0.800 163 E CB -0.108 29.540 29.700 -0.088 0.000 0.752 163 E HN 0.040 nan 8.360 nan 0.000 0.447 164 V N 1.562 121.417 119.914 -0.099 0.000 2.287 164 V HA -0.308 3.812 4.120 -0.000 0.000 0.248 164 V C 2.385 178.377 176.094 -0.169 0.000 1.053 164 V CA 1.862 64.095 62.300 -0.112 0.000 1.027 164 V CB -0.477 31.327 31.823 -0.032 0.000 0.646 164 V HN 0.316 nan 8.190 nan 0.000 0.447 165 M N -0.410 119.055 119.600 -0.225 0.000 2.159 165 M HA -0.201 4.278 4.480 -0.000 0.000 0.263 165 M C 2.318 178.573 176.300 -0.075 0.000 1.063 165 M CA 2.046 57.202 55.300 -0.240 0.000 1.110 165 M CB -0.641 31.866 32.600 -0.157 0.000 1.374 165 M HN 0.525 nan 8.290 nan 0.000 0.411 166 E N 0.407 120.571 120.200 -0.059 0.000 2.049 166 E HA -0.292 4.058 4.350 -0.000 0.000 0.198 166 E C 1.961 178.587 176.600 0.044 0.000 1.007 166 E CA 1.848 58.238 56.400 -0.016 0.000 0.809 166 E CB -0.398 29.277 29.700 -0.042 0.000 0.749 166 E HN 0.556 nan 8.360 nan 0.000 0.450 167 Y N 1.074 121.292 120.300 -0.137 0.000 2.181 167 Y HA -0.243 4.306 4.550 -0.000 0.000 0.288 167 Y C 2.350 178.215 175.900 -0.059 0.000 1.146 167 Y CA 2.295 60.301 58.100 -0.156 0.000 1.164 167 Y CB -0.387 37.897 38.460 -0.293 0.000 0.982 167 Y HN 0.210 nan 8.280 nan 0.000 0.515 168 H N -0.307 118.752 119.070 -0.018 0.000 2.357 168 H HA -0.102 4.454 4.556 -0.000 0.000 0.301 168 H C 1.928 177.249 175.328 -0.011 0.000 1.082 168 H CA 1.456 57.471 56.048 -0.056 0.000 1.342 168 H CB -0.426 29.349 29.762 0.021 0.000 1.389 168 H HN 0.395 nan 8.280 nan 0.000 0.511 169 N N 0.664 119.438 118.700 0.123 0.000 2.223 169 N HA -0.138 4.602 4.740 -0.000 0.000 0.185 169 N C 1.895 177.453 175.510 0.080 0.000 1.016 169 N CA 0.519 53.626 53.050 0.095 0.000 0.863 169 N CB -0.610 37.918 38.487 0.067 0.000 0.983 169 N HN 0.226 nan 8.380 nan 0.000 0.429 170 F N 2.160 122.076 119.950 -0.057 0.000 2.134 170 F HA -0.170 4.357 4.527 -0.000 0.000 0.299 170 F C 2.465 178.218 175.800 -0.078 0.000 1.097 170 F CA 1.428 59.385 58.000 -0.072 0.000 1.264 170 F CB -0.158 38.781 39.000 -0.102 0.000 1.001 170 F HN 0.039 nan 8.300 nan 0.000 0.479 171 Q N 0.278 120.120 119.800 0.069 0.000 2.030 171 Q HA -0.216 4.124 4.340 -0.000 0.000 0.204 171 Q C 2.343 178.382 176.000 0.065 0.000 0.986 171 Q CA 2.263 58.069 55.803 0.004 0.000 0.843 171 Q CB -0.420 28.337 28.738 0.031 0.000 0.904 171 Q HN 0.476 nan 8.270 nan 0.000 0.420 172 L N -0.352 120.984 121.223 0.188 0.000 1.943 172 L HA -0.251 4.089 4.340 -0.000 0.000 0.215 172 L C 2.435 179.367 176.870 0.103 0.000 1.074 172 L CA 1.234 56.228 54.840 0.255 0.000 0.759 172 L CB -0.825 41.338 42.059 0.174 0.000 0.888 172 L HN 0.126 nan 8.230 nan 0.000 0.433 173 V N 0.190 120.103 119.914 -0.003 0.000 2.233 173 V HA -0.295 3.824 4.120 -0.000 0.000 0.247 173 V C 2.152 178.156 176.094 -0.150 0.000 1.050 173 V CA 2.331 64.590 62.300 -0.069 0.000 1.010 173 V CB -0.831 30.937 31.823 -0.092 0.000 0.637 173 V HN 0.486 nan 8.190 nan 0.000 0.444 174 N N -1.334 117.182 118.700 -0.305 0.000 2.250 174 N HA -0.096 4.644 4.740 -0.000 0.000 0.181 174 N C 1.623 177.002 175.510 -0.219 0.000 1.017 174 N CA 1.376 54.206 53.050 -0.368 0.000 0.866 174 N CB -0.314 37.692 38.487 -0.802 0.000 0.985 174 N HN 0.673 nan 8.380 nan 0.000 0.429 175 Y N -0.738 119.365 120.300 -0.330 0.000 2.353 175 Y HA 0.092 4.642 4.550 -0.000 0.000 0.294 175 Y C 0.866 176.572 175.900 -0.324 0.000 1.135 175 Y CA 0.801 58.686 58.100 -0.358 0.000 1.176 175 Y CB -0.030 38.131 38.460 -0.498 0.000 1.124 175 Y HN -0.076 nan 8.280 nan 0.000 0.537 176 Y N 1.230 121.555 120.300 0.041 0.000 2.471 176 Y HA 0.173 4.723 4.550 -0.000 0.000 0.286 176 Y C 0.465 176.322 175.900 -0.072 0.000 1.188 176 Y CA -0.381 57.702 58.100 -0.029 0.000 1.286 176 Y CB -0.155 38.349 38.460 0.074 0.000 1.072 176 Y HN -0.082 nan 8.280 nan 0.000 0.517 177 K N -0.879 119.521 120.400 0.001 0.000 2.975 177 K HA -0.215 4.105 4.320 -0.000 0.000 0.257 177 K C 0.124 176.736 176.600 0.019 0.000 1.005 177 K CA 0.881 57.154 56.287 -0.023 0.000 0.738 177 K CB -1.955 30.515 32.500 -0.051 0.000 1.236 177 K HN 0.371 nan 8.250 nan 0.000 0.483 178 A N 1.062 123.919 122.820 0.062 0.000 2.288 178 A HA 0.516 4.836 4.320 -0.000 0.000 0.328 178 A C 0.478 178.084 177.584 0.037 0.000 1.123 178 A CA -0.598 51.471 52.037 0.054 0.000 0.861 178 A CB 0.664 19.710 19.000 0.077 0.000 1.272 178 A HN 0.252 nan 8.150 nan 0.000 0.490 179 E N 0.955 121.173 120.200 0.029 0.000 2.414 179 E HA 0.346 4.696 4.350 -0.000 0.000 0.263 179 E C 0.126 176.749 176.600 0.039 0.000 1.000 179 E CA 0.350 56.766 56.400 0.026 0.000 0.914 179 E CB 0.478 30.191 29.700 0.022 0.000 0.948 179 E HN 0.751 nan 8.360 nan 0.000 0.444 180 A N 3.317 126.159 122.820 0.036 0.000 2.351 180 A HA 0.399 4.719 4.320 -0.000 0.000 0.257 180 A C -0.112 177.508 177.584 0.059 0.000 1.087 180 A CA -0.737 51.329 52.037 0.049 0.000 0.798 180 A CB 0.757 19.780 19.000 0.039 0.000 1.033 180 A HN 0.475 nan 8.150 nan 0.000 0.488 181 V N 2.070 122.030 119.914 0.077 0.000 2.439 181 V HA 0.169 4.288 4.120 -0.000 0.000 0.282 181 V C 0.035 176.185 176.094 0.092 0.000 1.039 181 V CA -0.467 61.886 62.300 0.089 0.000 0.913 181 V CB 1.336 33.238 31.823 0.131 0.000 0.983 181 V HN 0.959 nan 8.190 nan 0.000 0.460 182 D N 2.705 123.155 120.400 0.083 0.000 2.382 182 D HA 0.005 4.645 4.640 -0.000 0.000 0.259 182 D C 0.699 177.068 176.300 0.114 0.000 1.224 182 D CA 0.146 54.203 54.000 0.095 0.000 0.894 182 D CB 0.457 41.298 40.800 0.069 0.000 1.127 182 D HN 0.548 nan 8.370 nan 0.000 0.487 183 Y N 3.970 124.281 120.300 0.018 0.000 2.053 183 Y HA -0.323 4.227 4.550 -0.000 0.000 0.277 183 Y C 2.051 177.971 175.900 0.033 0.000 1.159 183 Y CA 2.256 60.362 58.100 0.010 0.000 1.125 183 Y CB -0.323 38.127 38.460 -0.015 0.000 0.969 183 Y HN 0.508 nan 8.280 nan 0.000 0.492 184 Q N 1.132 120.962 119.800 0.051 0.000 2.096 184 Q HA -0.238 4.102 4.340 -0.000 0.000 0.204 184 Q C 2.353 178.305 176.000 -0.079 0.000 0.982 184 Q CA 2.438 58.215 55.803 -0.043 0.000 0.850 184 Q CB -0.451 28.350 28.738 0.105 0.000 0.901 184 Q HN 0.611 nan 8.270 nan 0.000 0.422 185 K N -0.820 119.566 120.400 -0.024 0.000 1.991 185 K HA -0.146 4.174 4.320 -0.000 0.000 0.212 185 K C 1.852 178.432 176.600 -0.034 0.000 1.049 185 K CA 1.860 58.139 56.287 -0.013 0.000 0.932 185 K CB -0.308 32.200 32.500 0.013 0.000 0.717 185 K HN 0.165 nan 8.250 nan 0.000 0.441 186 V N 1.890 121.782 119.914 -0.036 0.000 2.332 186 V HA -0.262 3.858 4.120 -0.000 0.000 0.248 186 V C 2.449 178.524 176.094 -0.033 0.000 1.055 186 V CA 1.657 63.952 62.300 -0.008 0.000 1.038 186 V CB -0.612 31.246 31.823 0.059 0.000 0.651 186 V HN 0.391 nan 8.190 nan 0.000 0.450 187 L N 0.392 121.506 121.223 -0.181 0.000 2.046 187 L HA -0.164 4.176 4.340 -0.000 0.000 0.208 187 L C 2.118 178.968 176.870 -0.033 0.000 1.077 187 L CA 2.047 56.803 54.840 -0.141 0.000 0.747 187 L CB -1.036 40.777 42.059 -0.411 0.000 0.896 187 L HN 0.320 nan 8.230 nan 0.000 0.432 188 D N -0.438 119.930 120.400 -0.053 0.000 2.084 188 D HA -0.170 4.469 4.640 -0.000 0.000 0.196 188 D C 1.791 178.078 176.300 -0.022 0.000 0.985 188 D CA 1.425 55.410 54.000 -0.025 0.000 0.826 188 D CB -0.171 40.618 40.800 -0.019 0.000 0.978 188 D HN 0.391 nan 8.370 nan 0.000 0.456 189 D N 0.397 120.786 120.400 -0.020 0.000 2.106 189 D HA -0.126 4.514 4.640 -0.000 0.000 0.191 189 D C 2.050 178.329 176.300 -0.034 0.000 0.997 189 D CA 1.567 55.555 54.000 -0.021 0.000 0.834 189 D CB -0.415 40.377 40.800 -0.013 0.000 0.956 189 D HN 0.214 nan 8.370 nan 0.000 0.448 190 T N 0.901 115.441 114.554 -0.023 0.000 2.674 190 T HA -0.182 4.167 4.350 -0.000 0.000 0.265 190 T C 2.017 176.639 174.700 -0.130 0.000 1.039 190 T CA 1.134 63.195 62.100 -0.066 0.000 1.150 190 T CB -0.304 68.561 68.868 -0.005 0.000 0.864 190 T HN -0.004 nan 8.240 nan 0.000 0.427 191 M N 1.547 121.089 119.600 -0.096 0.000 2.260 191 M HA -0.018 4.462 4.480 -0.000 0.000 0.261 191 M C 2.183 178.431 176.300 -0.087 0.000 1.066 191 M CA 1.117 56.354 55.300 -0.105 0.000 1.082 191 M CB -0.502 32.077 32.600 -0.035 0.000 1.388 191 M HN 0.316 nan 8.290 nan 0.000 0.419 192 A N -1.323 121.457 122.820 -0.067 0.000 2.167 192 A HA 0.064 4.383 4.320 -0.000 0.000 0.214 192 A C 1.761 179.306 177.584 -0.064 0.000 1.151 192 A CA 1.315 53.320 52.037 -0.054 0.000 0.735 192 A CB -0.685 18.292 19.000 -0.038 0.000 0.802 192 A HN 0.530 nan 8.150 nan 0.000 0.467 193 V N -5.078 114.784 119.914 -0.088 0.000 3.556 193 V HA 0.490 4.610 4.120 -0.000 0.000 0.287 193 V C 1.979 177.999 176.094 -0.123 0.000 1.422 193 V CA 0.697 62.942 62.300 -0.091 0.000 1.038 193 V CB -0.577 31.193 31.823 -0.089 0.000 0.850 193 V HN 0.341 nan 8.190 nan 0.000 0.437 194 A N 1.459 124.183 122.820 -0.161 0.000 1.940 194 A HA -0.282 4.038 4.320 -0.000 0.000 0.221 194 A C 1.826 179.312 177.584 -0.164 0.000 1.190 194 A CA 2.638 54.545 52.037 -0.215 0.000 0.647 194 A CB -0.786 18.066 19.000 -0.247 0.000 0.821 194 A HN 0.628 nan 8.150 nan 0.000 0.457 195 D N -0.552 119.785 120.400 -0.104 0.000 2.317 195 D HA -0.017 4.623 4.640 -0.000 0.000 0.211 195 D C 1.701 177.971 176.300 -0.051 0.000 0.966 195 D CA 0.468 54.430 54.000 -0.063 0.000 0.876 195 D CB -0.081 40.698 40.800 -0.035 0.000 0.927 195 D HN 0.381 nan 8.370 nan 0.000 0.519 196 I N 0.852 121.384 120.570 -0.063 0.000 2.277 196 I HA -0.117 4.053 4.170 -0.000 0.000 0.243 196 I C 2.547 178.631 176.117 -0.054 0.000 1.094 196 I CA 0.572 61.844 61.300 -0.047 0.000 1.393 196 I CB -1.043 36.928 38.000 -0.049 0.000 1.078 196 I HN -0.011 nan 8.210 nan 0.000 0.417 197 L N 0.692 121.862 121.223 -0.088 0.000 1.943 197 L HA -0.243 4.097 4.340 -0.000 0.000 0.215 197 L C 2.741 179.549 176.870 -0.103 0.000 1.074 197 L CA 2.388 57.165 54.840 -0.104 0.000 0.759 197 L CB -1.568 40.399 42.059 -0.154 0.000 0.888 197 L HN 0.312 nan 8.230 nan 0.000 0.433 198 T N -2.638 111.816 114.554 -0.168 0.000 2.848 198 T HA -0.215 4.134 4.350 -0.000 0.000 0.269 198 T C 1.806 176.546 174.700 0.067 0.000 1.081 198 T CA 1.514 63.521 62.100 -0.156 0.000 1.125 198 T CB -0.706 68.019 68.868 -0.238 0.000 0.848 198 T HN 0.502 nan 8.240 nan 0.000 0.503 199 S N 0.686 116.405 115.700 0.032 0.000 2.527 199 S HA 0.203 4.673 4.470 -0.000 0.000 0.222 199 S C 1.733 176.362 174.600 0.047 0.000 0.985 199 S CA 0.019 58.252 58.200 0.054 0.000 0.921 199 S CB -0.526 62.690 63.200 0.028 0.000 0.772 199 S HN 0.578 nan 8.310 nan 0.000 0.529 200 M N 1.437 121.056 119.600 0.032 0.000 2.333 200 M HA 0.307 4.787 4.480 -0.000 0.000 0.257 200 M C -0.252 176.076 176.300 0.046 0.000 1.078 200 M CA -0.132 55.186 55.300 0.031 0.000 1.005 200 M CB 0.704 33.312 32.600 0.012 0.000 1.444 200 M HN 0.048 nan 8.290 nan 0.000 0.496 201 V N 1.299 121.258 119.914 0.075 0.000 2.843 201 V HA 0.177 4.297 4.120 -0.000 0.000 0.305 201 V C 0.054 176.203 176.094 0.093 0.000 1.065 201 V CA 0.040 62.405 62.300 0.107 0.000 1.116 201 V CB 1.586 33.546 31.823 0.228 0.000 0.968 201 V HN 0.151 nan 8.190 nan 0.000 0.487 202 V N 3.061 123.021 119.914 0.076 0.000 3.077 202 V HA 0.371 4.491 4.120 -0.000 0.000 0.299 202 V C -1.253 174.866 176.094 0.043 0.000 1.276 202 V CA -0.807 61.522 62.300 0.049 0.000 0.993 202 V CB 2.459 34.297 31.823 0.025 0.000 1.076 202 V HN 0.958 nan 8.190 nan 0.000 0.434 203 D N 3.954 124.372 120.400 0.029 0.000 2.435 203 D HA 0.222 4.862 4.640 -0.000 0.000 0.230 203 D C 1.060 177.365 176.300 0.009 0.000 1.215 203 D CA 0.339 54.356 54.000 0.027 0.000 0.947 203 D CB 1.087 41.900 40.800 0.021 0.000 1.048 203 D HN 0.297 nan 8.370 nan 0.000 0.512 204 V N 3.068 122.990 119.914 0.013 0.000 2.282 204 V HA -0.319 3.801 4.120 -0.000 0.000 0.249 204 V C 2.445 178.540 176.094 0.001 0.000 1.057 204 V CA 2.312 64.609 62.300 -0.006 0.000 1.032 204 V CB -0.789 31.047 31.823 0.022 0.000 0.645 204 V HN 0.628 nan 8.190 nan 0.000 0.447 205 S N 0.104 115.823 115.700 0.032 0.000 2.368 205 S HA -0.281 4.189 4.470 -0.000 0.000 0.225 205 S C 1.750 176.367 174.600 0.027 0.000 1.030 205 S CA 1.697 59.924 58.200 0.044 0.000 0.999 205 S CB -0.604 62.628 63.200 0.053 0.000 0.844 205 S HN 0.658 nan 8.310 nan 0.000 0.459 206 D N 1.352 121.761 120.400 0.015 0.000 2.117 206 D HA -0.078 4.561 4.640 -0.000 0.000 0.197 206 D C 1.863 178.155 176.300 -0.013 0.000 0.987 206 D CA 0.819 54.823 54.000 0.007 0.000 0.829 206 D CB -0.371 40.433 40.800 0.007 0.000 0.961 206 D HN 0.277 nan 8.370 nan 0.000 0.460 207 L N 0.345 121.544 121.223 -0.040 0.000 2.012 207 L HA -0.081 4.259 4.340 -0.000 0.000 0.210 207 L C 2.049 178.845 176.870 -0.122 0.000 1.073 207 L CA 1.624 56.407 54.840 -0.095 0.000 0.748 207 L CB -0.772 41.190 42.059 -0.163 0.000 0.891 207 L HN 0.191 nan 8.230 nan 0.000 0.431 208 L N -0.561 120.604 121.223 -0.096 0.000 2.131 208 L HA -0.188 4.152 4.340 -0.000 0.000 0.210 208 L C 2.266 179.140 176.870 0.007 0.000 1.092 208 L CA 1.526 56.342 54.840 -0.040 0.000 0.759 208 L CB -0.706 41.388 42.059 0.059 0.000 0.903 208 L HN 0.374 nan 8.230 nan 0.000 0.435 209 D N -0.437 119.968 120.400 0.008 0.000 2.149 209 D HA -0.176 4.464 4.640 -0.000 0.000 0.201 209 D C 2.253 178.539 176.300 -0.023 0.000 0.972 209 D CA 1.108 55.105 54.000 -0.005 0.000 0.835 209 D CB 0.185 40.996 40.800 0.018 0.000 0.966 209 D HN 0.260 nan 8.370 nan 0.000 0.476 210 Q N -0.151 119.643 119.800 -0.010 0.000 2.020 210 Q HA -0.099 4.241 4.340 -0.000 0.000 0.202 210 Q C 2.307 178.319 176.000 0.019 0.000 0.982 210 Q CA 1.416 57.220 55.803 0.002 0.000 0.838 210 Q CB -0.252 28.492 28.738 0.009 0.000 0.899 210 Q HN 0.339 nan 8.270 nan 0.000 0.423 211 A N 1.471 124.317 122.820 0.043 0.000 1.978 211 A HA -0.226 4.094 4.320 -0.000 0.000 0.220 211 A C 2.078 179.709 177.584 0.078 0.000 1.170 211 A CA 1.354 53.461 52.037 0.117 0.000 0.636 211 A CB -0.558 18.570 19.000 0.213 0.000 0.810 211 A HN 0.156 nan 8.150 nan 0.000 0.448 212 R N -0.067 120.444 120.500 0.018 0.000 2.096 212 R HA -0.143 4.197 4.340 -0.000 0.000 0.235 212 R C 2.034 178.297 176.300 -0.061 0.000 1.127 212 R CA 1.975 58.047 56.100 -0.048 0.000 0.968 212 R CB -0.387 29.796 30.300 -0.196 0.000 0.861 212 R HN 0.764 nan 8.270 nan 0.000 0.440 213 Q N -0.551 119.219 119.800 -0.049 0.000 2.230 213 Q HA -0.048 4.292 4.340 -0.000 0.000 0.202 213 Q C 1.892 177.888 176.000 -0.006 0.000 0.963 213 Q CA 1.030 56.812 55.803 -0.035 0.000 0.866 213 Q CB 0.084 28.805 28.738 -0.027 0.000 0.931 213 Q HN 0.286 nan 8.270 nan 0.000 0.452 214 R N -0.593 119.915 120.500 0.012 0.000 2.297 214 R HA 0.084 4.424 4.340 -0.000 0.000 0.197 214 R C 0.964 177.277 176.300 0.022 0.000 0.943 214 R CA 0.587 56.695 56.100 0.015 0.000 1.038 214 R CB 0.462 30.774 30.300 0.021 0.000 0.957 214 R HN 0.355 nan 8.270 nan 0.000 0.484 215 G N 1.632 110.461 108.800 0.048 0.000 2.159 215 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.256 215 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.256 215 G C -0.271 174.721 174.900 0.153 0.000 0.977 215 G CA 0.054 45.211 45.100 0.095 0.000 0.652 215 G HN 0.271 nan 8.290 nan 0.000 0.531 216 D N -0.320 120.153 120.400 0.121 0.000 2.406 216 D HA 0.250 4.890 4.640 -0.000 0.000 0.234 216 D C 0.502 177.023 176.300 0.369 0.000 1.196 216 D CA 0.425 54.504 54.000 0.132 0.000 0.881 216 D CB 0.147 41.047 40.800 0.167 0.000 1.205 216 D HN -0.022 nan 8.370 nan 0.000 0.453 217 F N 0.841 120.767 119.950 -0.041 0.000 2.391 217 F HA 0.242 4.769 4.527 -0.000 0.000 0.359 217 F C 0.365 176.216 175.800 0.085 0.000 1.122 217 F CA -0.877 57.101 58.000 -0.037 0.000 1.120 217 F CB 0.673 39.410 39.000 -0.438 0.000 1.142 217 F HN -0.160 nan 8.300 nan 0.000 0.483 218 V N 5.698 125.837 119.914 0.375 0.000 2.513 218 V HA 0.456 4.576 4.120 -0.000 0.000 0.299 218 V C -0.255 175.997 176.094 0.263 0.000 1.035 218 V CA -0.812 61.639 62.300 0.252 0.000 0.889 218 V CB 1.897 33.822 31.823 0.170 0.000 0.988 218 V HN 0.633 nan 8.190 nan 0.000 0.440 219 M N 6.059 125.727 119.600 0.114 0.000 2.125 219 M HA 0.628 5.108 4.480 -0.000 0.000 0.321 219 M C -1.697 174.588 176.300 -0.024 0.000 0.983 219 M CA -0.104 55.285 55.300 0.149 0.000 0.934 219 M CB 0.867 33.589 32.600 0.204 0.000 1.542 219 M HN 0.376 nan 8.290 nan 0.000 0.424 220 F N 2.801 122.839 119.950 0.147 0.000 2.410 220 F HA 0.404 4.931 4.527 -0.000 0.000 0.349 220 F C 0.435 176.375 175.800 0.233 0.000 1.117 220 F CA -0.425 57.701 58.000 0.211 0.000 1.104 220 F CB 1.006 40.109 39.000 0.172 0.000 1.122 220 F HN 0.567 nan 8.300 nan 0.000 0.483 221 E N 2.711 123.096 120.200 0.308 0.000 2.081 221 E HA 0.497 4.847 4.350 -0.000 0.000 0.281 221 E C 0.070 176.689 176.600 0.033 0.000 0.986 221 E CA -0.501 55.977 56.400 0.129 0.000 0.796 221 E CB 0.764 30.456 29.700 -0.014 0.000 1.085 221 E HN 0.800 nan 8.360 nan 0.000 0.398 222 G N 2.730 111.564 108.800 0.058 0.000 2.504 222 G HA2 0.590 4.550 3.960 -0.000 0.000 0.288 222 G HA3 0.590 4.550 3.960 -0.000 0.000 0.288 222 G C -0.764 174.088 174.900 -0.079 0.000 1.182 222 G CA -0.137 44.861 45.100 -0.169 0.000 0.894 222 G HN 0.649 nan 8.290 nan 0.000 0.521 223 A N -0.308 122.464 122.820 -0.081 0.000 2.344 223 A HA 0.813 5.133 4.320 -0.000 0.000 0.307 223 A C 0.261 177.879 177.584 0.058 0.000 1.151 223 A CA -0.182 51.908 52.037 0.088 0.000 0.842 223 A CB 1.009 20.055 19.000 0.077 0.000 1.350 223 A HN 0.873 nan 8.150 nan 0.000 0.459 224 Q N -1.631 118.205 119.800 0.060 0.000 1.202 224 Q HA -0.050 4.290 4.340 -0.000 0.000 0.374 224 Q C 0.310 176.338 176.000 0.047 0.000 1.006 224 Q CA 2.375 58.202 55.803 0.039 0.000 0.589 224 Q CB -1.431 27.324 28.738 0.028 0.000 4.807 224 Q HN 2.083 nan 8.270 nan 0.000 0.528 225 G N -3.115 105.705 108.800 0.032 0.000 2.692 225 G HA2 0.484 4.444 3.960 -0.000 0.000 0.291 225 G HA3 0.484 4.444 3.960 -0.000 0.000 0.291 225 G C 0.135 175.017 174.900 -0.030 0.000 1.423 225 G CA 0.033 45.134 45.100 0.003 0.000 0.843 225 G HN 0.415 nan 8.290 nan 0.000 0.486 226 T N 0.795 115.314 114.554 -0.058 0.000 2.649 226 T HA -0.187 4.163 4.350 -0.000 0.000 0.268 226 T C 2.164 176.811 174.700 -0.088 0.000 1.036 226 T CA 1.601 63.666 62.100 -0.059 0.000 1.157 226 T CB -0.307 68.515 68.868 -0.077 0.000 0.861 226 T HN 0.269 nan 8.240 nan 0.000 0.445 227 L N 0.367 121.437 121.223 -0.255 0.000 2.627 227 L HA 0.219 4.559 4.340 -0.000 0.000 0.233 227 L C 1.259 178.124 176.870 -0.008 0.000 1.144 227 L CA 0.325 55.021 54.840 -0.240 0.000 0.892 227 L CB -0.224 41.409 42.059 -0.709 0.000 1.039 227 L HN 0.249 nan 8.230 nan 0.000 0.442 228 L N -1.512 119.728 121.223 0.028 0.000 2.857 228 L HA 0.179 4.519 4.340 -0.000 0.000 0.249 228 L C 0.635 177.536 176.870 0.052 0.000 1.172 228 L CA -0.154 54.735 54.840 0.082 0.000 0.980 228 L CB 0.192 42.301 42.059 0.084 0.000 1.299 228 L HN 0.129 nan 8.230 nan 0.000 0.535 229 D N 1.331 121.761 120.400 0.050 0.000 2.417 229 D HA -0.057 4.583 4.640 -0.000 0.000 0.250 229 D C 1.273 177.586 176.300 0.022 0.000 1.166 229 D CA -0.093 53.930 54.000 0.038 0.000 0.881 229 D CB 1.519 42.369 40.800 0.083 0.000 1.164 229 D HN 0.053 nan 8.370 nan 0.000 0.467 230 I N 4.217 124.779 120.570 -0.013 0.000 2.479 230 I HA -0.267 3.903 4.170 -0.000 0.000 0.258 230 I C 1.292 177.382 176.117 -0.046 0.000 1.165 230 I CA 1.620 62.925 61.300 0.008 0.000 1.422 230 I CB 0.014 37.986 38.000 -0.048 0.000 1.087 230 I HN 0.446 nan 8.210 nan 0.000 0.441 231 D N -1.259 119.039 120.400 -0.171 0.000 2.527 231 D HA 0.014 4.653 4.640 -0.000 0.000 0.249 231 D C 1.532 177.612 176.300 -0.367 0.000 1.029 231 D CA 0.715 54.488 54.000 -0.379 0.000 0.951 231 D CB -0.094 40.295 40.800 -0.684 0.000 1.093 231 D HN 0.443 nan 8.370 nan 0.000 0.464 232 H N 0.434 119.522 119.070 0.030 0.000 2.539 232 H HA 0.260 4.816 4.556 -0.000 0.000 0.269 232 H C 1.228 176.615 175.328 0.100 0.000 0.980 232 H CA 0.073 56.154 56.048 0.055 0.000 1.152 232 H CB 0.266 30.047 29.762 0.030 0.000 1.407 232 H HN 0.012 nan 8.280 nan 0.000 0.564 233 G N 0.736 109.630 108.800 0.158 0.000 2.508 233 G HA2 0.121 4.081 3.960 -0.000 0.000 0.278 233 G HA3 0.121 4.081 3.960 -0.000 0.000 0.278 233 G C 0.429 175.464 174.900 0.226 0.000 1.389 233 G CA -0.186 45.015 45.100 0.170 0.000 1.050 233 G HN 0.279 nan 8.290 nan 0.000 0.522 234 T N -1.963 112.699 114.554 0.180 0.000 3.843 234 T HA 0.180 4.530 4.350 -0.000 0.000 0.227 234 T C 0.152 174.959 174.700 0.179 0.000 1.043 234 T CA -0.519 61.658 62.100 0.129 0.000 1.012 234 T CB -0.859 67.931 68.868 -0.131 0.000 1.279 234 T HN 0.337 nan 8.240 nan 0.000 0.730 235 Y N 3.597 123.936 120.300 0.066 0.000 2.904 235 Y HA 0.093 4.642 4.550 -0.000 0.000 0.336 235 Y C -1.239 174.634 175.900 -0.045 0.000 1.263 235 Y CA -1.345 56.751 58.100 -0.007 0.000 1.547 235 Y CB 0.910 39.372 38.460 0.003 0.000 1.272 235 Y HN 0.252 nan 8.280 nan 0.000 0.596 236 P HA -0.034 nan 4.420 nan 0.000 0.255 236 P C -0.920 175.967 177.300 -0.689 0.000 1.248 236 P CA 0.521 63.017 63.100 -1.006 0.000 0.807 236 P CB -0.020 31.031 31.700 -1.082 0.000 1.150 237 Y N 0.537 120.748 120.300 -0.147 0.000 2.532 237 Y HA 0.321 4.871 4.550 -0.000 0.000 0.337 237 Y C 0.881 176.748 175.900 -0.055 0.000 1.274 237 Y CA 0.103 58.141 58.100 -0.103 0.000 1.817 237 Y CB -0.330 38.067 38.460 -0.105 0.000 1.769 237 Y HN -0.197 nan 8.280 nan 0.000 0.447 238 V N 0.589 120.492 119.914 -0.019 0.000 3.258 238 V HA 0.412 4.531 4.120 -0.000 0.000 0.299 238 V C -0.343 175.750 176.094 -0.002 0.000 1.376 238 V CA -0.818 61.500 62.300 0.030 0.000 1.063 238 V CB 2.820 34.682 31.823 0.064 0.000 1.103 238 V HN 0.450 nan 8.190 nan 0.000 0.451 239 T N 0.508 115.067 114.554 0.008 0.000 2.902 239 T HA 0.324 4.673 4.350 -0.000 0.000 0.280 239 T C 0.682 175.350 174.700 -0.053 0.000 0.992 239 T CA 0.219 62.310 62.100 -0.016 0.000 1.015 239 T CB 1.327 70.190 68.868 -0.008 0.000 1.044 239 T HN 0.724 nan 8.240 nan 0.000 0.520 240 S N 2.013 117.660 115.700 -0.088 0.000 2.763 240 S HA 0.233 4.703 4.470 -0.000 0.000 0.237 240 S C 0.350 174.634 174.600 -0.528 0.000 0.966 240 S CA -0.489 57.596 58.200 -0.191 0.000 1.017 240 S CB -0.531 62.621 63.200 -0.079 0.000 0.780 240 S HN 0.772 nan 8.310 nan 0.000 0.476 241 S N 0.508 115.952 115.700 -0.427 0.000 2.704 241 S HA 0.500 4.969 4.470 -0.000 0.000 0.296 241 S C -1.009 173.486 174.600 -0.175 0.000 1.138 241 S CA -1.131 56.777 58.200 -0.485 0.000 0.875 241 S CB 0.762 63.705 63.200 -0.428 0.000 1.151 241 S HN 0.201 nan 8.310 nan 0.000 0.500 242 N N 1.195 119.846 118.700 -0.082 0.000 2.406 242 N HA 0.296 5.036 4.740 -0.000 0.000 0.251 242 N C 1.043 176.606 175.510 0.089 0.000 1.069 242 N CA -0.033 53.023 53.050 0.011 0.000 0.947 242 N CB 1.264 39.771 38.487 0.033 0.000 1.111 242 N HN 0.796 nan 8.380 nan 0.000 0.497 243 T N -1.947 112.653 114.554 0.078 0.000 3.043 243 T HA -0.070 4.280 4.350 -0.000 0.000 0.263 243 T C 1.170 175.964 174.700 0.156 0.000 1.094 243 T CA 0.158 62.322 62.100 0.106 0.000 1.127 243 T CB -0.351 68.549 68.868 0.054 0.000 0.905 243 T HN 0.493 nan 8.240 nan 0.000 0.490 244 T N -0.156 114.474 114.554 0.127 0.000 2.748 244 T HA 0.558 4.907 4.350 -0.000 0.000 0.304 244 T C 1.760 176.505 174.700 0.075 0.000 1.041 244 T CA -0.165 61.992 62.100 0.095 0.000 1.033 244 T CB 0.725 69.651 68.868 0.097 0.000 0.995 244 T HN 0.248 nan 8.240 nan 0.000 0.536 245 A N 1.055 123.874 122.820 -0.001 0.000 2.032 245 A HA 0.079 4.399 4.320 -0.000 0.000 0.221 245 A C 2.491 179.980 177.584 -0.160 0.000 1.165 245 A CA 1.808 53.789 52.037 -0.093 0.000 0.645 245 A CB -1.682 17.248 19.000 -0.117 0.000 0.807 245 A HN 1.130 nan 8.150 nan 0.000 0.453 246 G N -0.469 108.280 108.800 -0.086 0.000 2.432 246 G HA2 0.005 3.964 3.960 -0.000 0.000 0.219 246 G HA3 0.005 3.964 3.960 -0.000 0.000 0.219 246 G C 1.419 176.257 174.900 -0.103 0.000 1.135 246 G CA 1.071 46.117 45.100 -0.091 0.000 0.767 246 G HN 0.742 nan 8.290 nan 0.000 0.550 247 G N 0.133 108.904 108.800 -0.047 0.000 2.535 247 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.218 247 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.218 247 G C 1.590 176.368 174.900 -0.203 0.000 1.122 247 G CA 0.874 45.989 45.100 0.025 0.000 0.769 247 G HN 0.334 nan 8.290 nan 0.000 0.549 248 V N 1.105 120.659 119.914 -0.601 0.000 2.307 248 V HA -0.101 4.019 4.120 -0.000 0.000 0.245 248 V C 3.240 179.082 176.094 -0.419 0.000 1.045 248 V CA 2.009 63.769 62.300 -0.899 0.000 1.024 248 V CB -0.633 30.580 31.823 -1.016 0.000 0.651 248 V HN 0.449 nan 8.190 nan 0.000 0.449 249 A N -0.761 121.881 122.820 -0.298 0.000 1.873 249 A HA -0.211 4.108 4.320 -0.000 0.000 0.215 249 A C 2.403 179.951 177.584 -0.061 0.000 1.186 249 A CA 2.446 54.385 52.037 -0.163 0.000 0.616 249 A CB -1.016 17.898 19.000 -0.144 0.000 0.823 249 A HN 0.458 nan 8.150 nan 0.000 0.442 250 T N -0.482 114.046 114.554 -0.043 0.000 2.720 250 T HA -0.053 4.297 4.350 -0.000 0.000 0.268 250 T C 1.724 176.467 174.700 0.072 0.000 1.037 250 T CA 1.660 63.771 62.100 0.018 0.000 1.144 250 T CB -0.387 68.496 68.868 0.025 0.000 0.864 250 T HN 0.563 nan 8.240 nan 0.000 0.444 251 G N -0.060 108.806 108.800 0.111 0.000 2.939 251 G HA2 0.079 4.039 3.960 -0.000 0.000 0.210 251 G HA3 0.079 4.039 3.960 -0.000 0.000 0.210 251 G C 1.536 176.563 174.900 0.211 0.000 1.160 251 G CA 0.847 46.067 45.100 0.200 0.000 0.770 251 G HN 0.602 nan 8.290 nan 0.000 0.543 252 S N -2.179 113.621 115.700 0.167 0.000 2.670 252 S HA 0.407 4.877 4.470 -0.000 0.000 0.241 252 S C 1.679 176.364 174.600 0.142 0.000 1.077 252 S CA 1.116 59.442 58.200 0.210 0.000 0.899 252 S CB 0.457 63.890 63.200 0.389 0.000 0.835 252 S HN 1.365 nan 8.310 nan 0.000 0.481 253 G N 1.053 109.907 108.800 0.090 0.000 2.159 253 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.227 253 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.227 253 G C -0.263 174.683 174.900 0.076 0.000 0.986 253 G CA 0.083 45.226 45.100 0.072 0.000 0.651 253 G HN 0.756 nan 8.290 nan 0.000 0.523 254 L N 2.336 123.605 121.223 0.075 0.000 2.305 254 L HA 0.727 5.066 4.340 -0.000 0.000 0.281 254 L C 1.136 178.034 176.870 0.046 0.000 1.085 254 L CA 0.253 55.155 54.840 0.104 0.000 0.813 254 L CB 0.812 42.929 42.059 0.097 0.000 1.157 254 L HN 0.457 nan 8.230 nan 0.000 0.436 255 G N 5.495 114.363 108.800 0.112 0.000 2.414 255 G HA2 0.175 4.134 3.960 -0.000 0.000 0.236 255 G HA3 0.175 4.134 3.960 -0.000 0.000 0.236 255 G C -1.685 173.094 174.900 -0.202 0.000 1.293 255 G CA -0.481 44.571 45.100 -0.080 0.000 0.869 255 G HN 0.739 nan 8.290 nan 0.000 0.556 256 P HA -0.110 nan 4.420 nan 0.000 0.220 256 P C 1.349 178.491 177.300 -0.264 0.000 1.148 256 P CA 0.749 63.720 63.100 -0.216 0.000 0.803 256 P CB 0.270 31.866 31.700 -0.172 0.000 0.782 257 R N -1.387 118.860 120.500 -0.422 0.000 2.339 257 R HA -0.049 4.291 4.340 -0.000 0.000 0.199 257 R C 1.008 177.083 176.300 -0.375 0.000 1.018 257 R CA 0.710 56.553 56.100 -0.428 0.000 1.036 257 R CB -0.372 29.634 30.300 -0.491 0.000 0.899 257 R HN 0.320 nan 8.270 nan 0.000 0.473 258 Y N -0.701 119.569 120.300 -0.050 0.000 2.458 258 Y HA 0.152 4.702 4.550 -0.000 0.000 0.256 258 Y C 0.532 176.407 175.900 -0.043 0.000 1.159 258 Y CA -0.951 57.132 58.100 -0.029 0.000 1.261 258 Y CB 0.387 38.846 38.460 -0.003 0.000 1.119 258 Y HN -0.298 nan 8.280 nan 0.000 0.524 259 V N 2.154 122.074 119.914 0.009 0.000 2.427 259 V HA 0.043 4.163 4.120 -0.000 0.000 0.268 259 V C 0.615 176.710 176.094 0.001 0.000 1.046 259 V CA -0.127 62.146 62.300 -0.045 0.000 0.970 259 V CB 1.081 32.815 31.823 -0.148 0.000 1.001 259 V HN 0.268 nan 8.190 nan 0.000 0.476 260 D N 2.651 123.078 120.400 0.044 0.000 2.262 260 D HA 0.045 4.685 4.640 -0.000 0.000 0.212 260 D C -0.077 176.271 176.300 0.079 0.000 0.964 260 D CA 1.289 55.323 54.000 0.057 0.000 0.875 260 D CB 0.595 41.435 40.800 0.067 0.000 0.996 260 D HN 0.550 nan 8.370 nan 0.000 0.497 261 Y N 0.296 120.539 120.300 -0.094 0.000 2.482 261 Y HA 0.348 4.898 4.550 -0.000 0.000 0.334 261 Y C -1.712 174.114 175.900 -0.124 0.000 1.091 261 Y CA -0.928 57.099 58.100 -0.121 0.000 1.027 261 Y CB 1.671 40.038 38.460 -0.155 0.000 1.306 261 Y HN -0.394 nan 8.280 nan 0.000 0.446 262 V N 7.269 127.067 119.914 -0.192 0.000 2.376 262 V HA 0.352 4.472 4.120 -0.000 0.000 0.287 262 V C -0.907 175.103 176.094 -0.141 0.000 1.015 262 V CA -0.705 61.533 62.300 -0.104 0.000 0.834 262 V CB 1.236 32.959 31.823 -0.166 0.000 1.001 262 V HN 0.633 nan 8.190 nan 0.000 0.428 263 L N 5.121 126.417 121.223 0.122 0.000 2.260 263 L HA 0.788 5.128 4.340 -0.000 0.000 0.289 263 L C 0.682 177.599 176.870 0.077 0.000 1.057 263 L CA 0.377 55.318 54.840 0.169 0.000 0.811 263 L CB 0.956 43.157 42.059 0.236 0.000 1.184 263 L HN 0.663 nan 8.230 nan 0.000 0.429 264 G N 6.627 115.458 108.800 0.052 0.000 2.347 264 G HA2 0.466 4.426 3.960 -0.000 0.000 0.314 264 G HA3 0.466 4.426 3.960 -0.000 0.000 0.314 264 G C -0.345 174.697 174.900 0.237 0.000 1.126 264 G CA -0.590 44.588 45.100 0.129 0.000 0.929 264 G HN 0.489 nan 8.290 nan 0.000 0.441 265 I N 2.516 123.178 120.570 0.153 0.000 2.496 265 I HA 0.211 4.381 4.170 -0.000 0.000 0.285 265 I C -0.158 176.014 176.117 0.092 0.000 1.080 265 I CA -0.811 60.560 61.300 0.119 0.000 1.404 265 I CB 1.117 39.165 38.000 0.080 0.000 1.403 265 I HN 0.218 nan 8.210 nan 0.000 0.539 266 L N 7.150 128.399 121.223 0.042 0.000 2.415 266 L HA 0.385 4.725 4.340 -0.000 0.000 0.268 266 L C -0.060 176.778 176.870 -0.054 0.000 0.984 266 L CA -0.397 54.403 54.840 -0.066 0.000 0.853 266 L CB 0.931 42.814 42.059 -0.292 0.000 1.215 266 L HN 0.540 nan 8.230 nan 0.000 0.419 267 K N 3.364 123.727 120.400 -0.062 0.000 2.350 267 K HA 0.334 4.653 4.320 -0.000 0.000 0.279 267 K C 1.121 177.691 176.600 -0.050 0.000 1.027 267 K CA 0.545 56.770 56.287 -0.104 0.000 0.969 267 K CB 1.546 33.899 32.500 -0.245 0.000 0.954 267 K HN 0.825 nan 8.250 nan 0.000 0.474 268 A N 4.193 127.054 122.820 0.068 0.000 2.186 268 A HA -0.107 4.212 4.320 -0.000 0.000 0.219 268 A C -0.093 177.759 177.584 0.448 0.000 1.159 268 A CA 1.186 53.414 52.037 0.318 0.000 0.680 268 A CB -0.675 18.598 19.000 0.454 0.000 0.787 268 A HN 0.748 nan 8.150 nan 0.000 0.467 269 Y N -4.713 115.726 120.300 0.232 0.000 2.670 269 Y HA 0.697 5.247 4.550 -0.000 0.000 0.334 269 Y C -0.325 175.707 175.900 0.220 0.000 1.185 269 Y CA -1.452 56.793 58.100 0.243 0.000 1.053 269 Y CB 0.273 38.819 38.460 0.144 0.000 1.298 269 Y HN -0.167 nan 8.280 nan 0.000 0.459 270 S N 0.945 116.861 115.700 0.360 0.000 2.616 270 S HA 0.763 5.233 4.470 -0.000 0.000 0.277 270 S C -0.397 174.406 174.600 0.339 0.000 1.234 270 S CA -0.104 58.308 58.200 0.353 0.000 1.028 270 S CB 1.237 64.836 63.200 0.665 0.000 0.988 270 S HN 0.943 nan 8.310 nan 0.000 0.522 271 T N -0.046 114.565 114.554 0.095 0.000 2.843 271 T HA 0.724 5.073 4.350 -0.000 0.000 0.302 271 T C -1.151 173.370 174.700 -0.298 0.000 1.232 271 T CA -1.031 61.073 62.100 0.008 0.000 1.009 271 T CB 1.615 70.489 68.868 0.010 0.000 1.254 271 T HN 0.536 nan 8.240 nan 0.000 0.504 272 R N 1.001 121.323 120.500 -0.297 0.000 2.536 272 R HA 0.565 4.904 4.340 -0.000 0.000 0.269 272 R C -1.789 174.393 176.300 -0.197 0.000 1.113 272 R CA -0.676 55.171 56.100 -0.421 0.000 0.948 272 R CB 2.387 32.166 30.300 -0.868 0.000 1.237 272 R HN 0.752 nan 8.270 nan 0.000 0.441 273 V N 1.368 121.199 119.914 -0.138 0.000 2.384 273 V HA 0.907 5.027 4.120 -0.000 0.000 0.287 273 V C 0.562 176.610 176.094 -0.077 0.000 1.020 273 V CA -0.143 62.109 62.300 -0.080 0.000 0.850 273 V CB 0.897 32.693 31.823 -0.046 0.000 0.987 273 V HN 1.066 nan 8.190 nan 0.000 0.436 274 G N 2.989 111.749 108.800 -0.068 0.000 2.525 274 G HA2 0.430 4.390 3.960 -0.000 0.000 0.685 274 G HA3 0.430 4.390 3.960 -0.000 0.000 0.685 274 G C -0.208 174.632 174.900 -0.100 0.000 1.290 274 G CA -0.075 44.994 45.100 -0.052 0.000 0.915 274 G HN 1.686 nan 8.290 nan 0.000 0.548 275 A N -0.869 121.894 122.820 -0.096 0.000 2.296 275 A HA 1.115 5.435 4.320 -0.000 0.000 0.264 275 A C 1.240 178.559 177.584 -0.442 0.000 1.097 275 A CA 1.202 53.076 52.037 -0.272 0.000 0.811 275 A CB 0.647 19.466 19.000 -0.303 0.000 1.072 275 A HN 2.951 nan 8.150 nan 0.000 0.495 276 G N -0.436 107.931 108.800 -0.721 0.000 2.379 276 G HA2 0.323 4.283 3.960 -0.000 0.000 0.609 276 G HA3 0.323 4.283 3.960 -0.000 0.000 0.609 276 G C -3.246 171.402 174.900 -0.420 0.000 1.484 276 G CA -0.415 44.316 45.100 -0.615 0.000 0.921 276 G HN 0.765 nan 8.290 nan 0.000 0.658 277 P HA 0.413 nan 4.420 nan 0.000 0.266 277 P C -0.931 176.200 177.300 -0.282 0.000 1.195 277 P CA 0.056 63.004 63.100 -0.253 0.000 0.768 277 P CB 0.688 32.219 31.700 -0.283 0.000 0.838 278 F N 6.074 125.845 119.950 -0.297 0.000 3.167 278 F HA 0.250 4.777 4.527 -0.000 0.000 0.389 278 F C -1.961 173.791 175.800 -0.081 0.000 1.233 278 F CA -2.978 54.813 58.000 -0.347 0.000 1.238 278 F CB 0.887 39.608 39.000 -0.464 0.000 1.971 278 F HN 0.135 nan 8.300 nan 0.000 0.651 279 P HA -0.118 nan 4.420 nan 0.000 0.219 279 P C 1.033 178.395 177.300 0.102 0.000 1.146 279 P CA 1.298 64.489 63.100 0.150 0.000 0.808 279 P CB 0.320 32.043 31.700 0.037 0.000 0.779 280 T N -0.532 114.104 114.554 0.136 0.000 3.145 280 T HA 0.078 4.428 4.350 -0.000 0.000 0.255 280 T C 0.456 174.912 174.700 -0.407 0.000 1.039 280 T CA -0.264 61.907 62.100 0.118 0.000 0.928 280 T CB -0.403 68.738 68.868 0.456 0.000 1.029 280 T HN 0.194 nan 8.240 nan 0.000 0.554 281 E N 1.388 121.035 120.200 -0.921 0.000 2.384 281 E HA 0.193 4.543 4.350 -0.000 0.000 0.266 281 E C -0.750 175.332 176.600 -0.863 0.000 1.012 281 E CA -0.030 55.618 56.400 -1.254 0.000 0.901 281 E CB 0.472 29.432 29.700 -1.235 0.000 0.967 281 E HN 0.367 nan 8.360 nan 0.000 0.435 282 L N 4.968 125.660 121.223 -0.885 0.000 2.295 282 L HA 0.302 4.642 4.340 -0.000 0.000 0.285 282 L C -0.425 175.999 176.870 -0.744 0.000 1.035 282 L CA -0.528 53.929 54.840 -0.639 0.000 0.806 282 L CB 0.801 42.538 42.059 -0.537 0.000 1.214 282 L HN 0.688 nan 8.230 nan 0.000 0.426 283 F N 0.458 120.327 119.950 -0.135 0.000 2.850 283 F HA 0.177 4.704 4.527 -0.000 0.000 0.329 283 F C 0.273 176.026 175.800 -0.077 0.000 1.182 283 F CA -0.861 57.078 58.000 -0.100 0.000 1.270 283 F CB 0.179 39.132 39.000 -0.079 0.000 0.979 283 F HN 0.468 nan 8.300 nan 0.000 0.506 284 D N -1.709 118.703 120.400 0.021 0.000 2.784 284 D HA 0.232 4.872 4.640 -0.000 0.000 0.256 284 D C 1.094 177.378 176.300 -0.028 0.000 1.129 284 D CA -0.477 53.529 54.000 0.011 0.000 1.102 284 D CB 0.303 41.110 40.800 0.012 0.000 1.330 284 D HN -0.212 nan 8.370 nan 0.000 0.626 285 E N -0.557 119.628 120.200 -0.024 0.000 2.097 285 E HA -0.109 4.241 4.350 -0.000 0.000 0.196 285 E C 1.914 178.493 176.600 -0.035 0.000 1.000 285 E CA 2.312 58.696 56.400 -0.027 0.000 0.804 285 E CB -0.755 28.921 29.700 -0.040 0.000 0.740 285 E HN 0.584 nan 8.360 nan 0.000 0.454 286 T N -0.471 114.035 114.554 -0.081 0.000 2.746 286 T HA -0.123 4.227 4.350 -0.000 0.000 0.267 286 T C 1.959 176.536 174.700 -0.205 0.000 1.039 286 T CA 1.303 63.322 62.100 -0.135 0.000 1.142 286 T CB -0.773 67.964 68.868 -0.217 0.000 0.866 286 T HN 0.392 nan 8.240 nan 0.000 0.444 287 G N 1.078 109.735 108.800 -0.239 0.000 2.440 287 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.218 287 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.218 287 G C 1.399 176.182 174.900 -0.194 0.000 1.154 287 G CA 1.069 46.000 45.100 -0.282 0.000 0.767 287 G HN 0.611 nan 8.290 nan 0.000 0.552 288 E N -0.627 119.512 120.200 -0.101 0.000 2.072 288 E HA -0.130 4.220 4.350 -0.000 0.000 0.191 288 E C 2.086 178.656 176.600 -0.049 0.000 0.985 288 E CA 0.622 56.990 56.400 -0.053 0.000 0.801 288 E CB -0.266 29.433 29.700 -0.002 0.000 0.750 288 E HN 0.375 nan 8.360 nan 0.000 0.452 289 F N 1.346 121.189 119.950 -0.178 0.000 2.146 289 F HA -0.105 4.422 4.527 -0.000 0.000 0.298 289 F C 1.910 177.561 175.800 -0.248 0.000 1.096 289 F CA 1.220 59.109 58.000 -0.185 0.000 1.275 289 F CB -0.161 38.724 39.000 -0.191 0.000 1.008 289 F HN 0.001 nan 8.300 nan 0.000 0.480 290 L N -1.013 119.980 121.223 -0.382 0.000 2.093 290 L HA -0.243 4.097 4.340 -0.000 0.000 0.208 290 L C 2.810 179.377 176.870 -0.504 0.000 1.085 290 L CA 1.275 55.751 54.840 -0.606 0.000 0.755 290 L CB -0.963 40.701 42.059 -0.658 0.000 0.904 290 L HN 0.396 nan 8.230 nan 0.000 0.435 291 C N 0.515 119.598 119.300 -0.361 0.000 2.476 291 C HA -0.117 4.343 4.460 -0.000 0.000 0.278 291 C C 2.863 177.609 174.990 -0.407 0.000 1.274 291 C CA 0.744 59.550 59.018 -0.353 0.000 1.713 291 C CB -0.504 27.058 27.740 -0.296 0.000 2.039 291 C HN 0.405 nan 8.230 nan 0.000 0.484 292 K N -0.220 120.010 120.400 -0.284 0.000 2.057 292 K HA -0.141 4.178 4.320 -0.000 0.000 0.207 292 K C 2.271 178.729 176.600 -0.237 0.000 1.049 292 K CA 1.308 57.500 56.287 -0.158 0.000 0.931 292 K CB -0.276 32.188 32.500 -0.059 0.000 0.714 292 K HN 0.508 nan 8.250 nan 0.000 0.440 293 Q N -0.256 119.283 119.800 -0.436 0.000 2.172 293 Q HA -0.039 4.301 4.340 -0.000 0.000 0.200 293 Q C 2.241 178.084 176.000 -0.262 0.000 0.964 293 Q CA 1.429 56.969 55.803 -0.439 0.000 0.855 293 Q CB -0.249 28.003 28.738 -0.811 0.000 0.918 293 Q HN 0.474 nan 8.270 nan 0.000 0.444 294 G N 0.503 109.145 108.800 -0.264 0.000 2.464 294 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.217 294 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.217 294 G C 0.547 175.391 174.900 -0.093 0.000 1.138 294 G CA 0.474 45.523 45.100 -0.085 0.000 0.793 294 G HN 0.521 nan 8.290 nan 0.000 0.539 295 N N 0.109 118.680 118.700 -0.215 0.000 2.758 295 N HA -0.132 4.608 4.740 -0.000 0.000 0.248 295 N C -0.277 175.099 175.510 -0.224 0.000 1.076 295 N CA 0.542 53.483 53.050 -0.182 0.000 0.696 295 N CB -0.658 37.852 38.487 0.038 0.000 0.979 295 N HN 0.370 nan 8.380 nan 0.000 0.550 296 E N 0.241 120.196 120.200 -0.408 0.000 2.201 296 E HA 0.059 4.409 4.350 -0.000 0.000 0.272 296 E C 0.249 176.658 176.600 -0.319 0.000 1.228 296 E CA -0.161 56.094 56.400 -0.242 0.000 1.305 296 E CB -0.195 29.410 29.700 -0.157 0.000 1.381 296 E HN 0.451 nan 8.360 nan 0.000 0.475 297 F N 1.138 121.087 119.950 -0.002 0.000 2.335 297 F HA 0.154 4.681 4.527 -0.000 0.000 0.296 297 F C 1.654 177.451 175.800 -0.004 0.000 1.091 297 F CA 1.010 59.006 58.000 -0.006 0.000 1.399 297 F CB 0.199 39.193 39.000 -0.009 0.000 1.067 297 F HN 0.419 nan 8.300 nan 0.000 0.520 298 G N -0.465 108.430 108.800 0.158 0.000 2.592 298 G HA2 0.153 4.113 3.960 -0.000 0.000 0.684 298 G HA3 0.153 4.113 3.960 -0.000 0.000 0.684 298 G C 0.353 175.308 174.900 0.092 0.000 1.291 298 G CA -0.454 44.704 45.100 0.096 0.000 0.891 298 G HN 0.434 nan 8.290 nan 0.000 0.544 299 A N -1.128 121.731 122.820 0.065 0.000 2.115 299 A HA 0.703 5.023 4.320 -0.000 0.000 0.211 299 A C 1.424 179.033 177.584 0.041 0.000 1.169 299 A CA 2.534 54.605 52.037 0.057 0.000 0.787 299 A CB -0.004 19.033 19.000 0.062 0.000 0.858 299 A HN 2.592 nan 8.150 nan 0.000 0.474 300 T N -5.055 109.521 114.554 0.038 0.000 2.661 300 T HA 0.354 4.704 4.350 -0.000 0.000 0.305 300 T C -0.430 174.286 174.700 0.026 0.000 1.441 300 T CA -0.153 61.962 62.100 0.025 0.000 0.999 300 T CB 0.069 68.945 68.868 0.014 0.000 1.650 300 T HN -0.043 nan 8.240 nan 0.000 0.489 301 T N 1.494 116.058 114.554 0.016 0.000 2.819 301 T HA 0.368 4.718 4.350 -0.000 0.000 0.282 301 T C 1.642 176.351 174.700 0.015 0.000 1.013 301 T CA 1.629 63.738 62.100 0.015 0.000 1.159 301 T CB -0.582 68.290 68.868 0.006 0.000 1.007 301 T HN 1.963 nan 8.240 nan 0.000 0.514 302 G N 3.265 112.076 108.800 0.019 0.000 2.179 302 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.260 302 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.260 302 G C 0.917 175.824 174.900 0.011 0.000 0.977 302 G CA -0.205 44.902 45.100 0.012 0.000 0.641 302 G HN 0.599 nan 8.290 nan 0.000 0.533 303 R N -0.029 120.485 120.500 0.023 0.000 2.427 303 R HA 0.238 4.578 4.340 -0.000 0.000 0.262 303 R C 0.951 177.270 176.300 0.030 0.000 0.943 303 R CA -0.541 55.571 56.100 0.021 0.000 1.081 303 R CB 0.018 30.335 30.300 0.028 0.000 1.166 303 R HN 0.385 nan 8.270 nan 0.000 0.534 304 R N 1.978 122.503 120.500 0.042 0.000 2.291 304 R HA 0.135 4.475 4.340 -0.000 0.000 0.333 304 R C -0.505 175.787 176.300 -0.015 0.000 1.082 304 R CA -0.310 55.817 56.100 0.044 0.000 0.948 304 R CB 0.156 30.514 30.300 0.095 0.000 1.009 304 R HN -0.080 nan 8.270 nan 0.000 0.460 305 R N 2.975 123.445 120.500 -0.050 0.000 2.570 305 R HA 0.032 4.372 4.340 -0.000 0.000 0.277 305 R C 0.264 176.534 176.300 -0.050 0.000 1.039 305 R CA 0.431 56.498 56.100 -0.054 0.000 1.065 305 R CB 0.526 30.792 30.300 -0.056 0.000 0.964 305 R HN 0.480 nan 8.270 nan 0.000 0.428 306 R N 1.049 121.537 120.500 -0.020 0.000 2.615 306 R HA 0.230 4.570 4.340 -0.000 0.000 0.270 306 R C 0.010 176.371 176.300 0.102 0.000 1.081 306 R CA -0.109 55.999 56.100 0.013 0.000 1.154 306 R CB 1.046 31.392 30.300 0.077 0.000 1.063 306 R HN 0.702 nan 8.270 nan 0.000 0.519 307 T N -1.962 112.591 114.554 -0.002 0.000 2.901 307 T HA 0.824 5.174 4.350 -0.000 0.000 0.293 307 T C -0.011 174.574 174.700 -0.191 0.000 1.084 307 T CA -0.696 61.425 62.100 0.036 0.000 1.008 307 T CB 2.469 71.283 68.868 -0.091 0.000 1.170 307 T HN 0.751 nan 8.240 nan 0.000 0.509 308 G N -0.740 108.022 108.800 -0.063 0.000 2.441 308 G HA2 0.464 4.424 3.960 -0.000 0.000 0.294 308 G HA3 0.464 4.424 3.960 -0.000 0.000 0.294 308 G C -1.937 172.937 174.900 -0.044 0.000 1.393 308 G CA -1.250 43.667 45.100 -0.304 0.000 0.796 308 G HN 0.787 nan 8.290 nan 0.000 0.494 309 W N -0.267 121.134 121.300 0.169 0.000 2.150 309 W HA 0.494 5.154 4.660 -0.000 0.000 0.341 309 W C 0.995 177.749 176.519 0.392 0.000 1.276 309 W CA -0.476 57.031 57.345 0.271 0.000 1.238 309 W CB 0.793 30.406 29.460 0.255 0.000 1.128 309 W HN 0.470 nan 8.180 nan 0.000 0.581 310 L N 3.394 125.028 121.223 0.685 0.000 2.578 310 L HA -0.077 4.263 4.340 -0.000 0.000 0.279 310 L C 0.111 177.258 176.870 0.462 0.000 1.227 310 L CA 0.909 56.046 54.840 0.495 0.000 0.900 310 L CB 0.050 42.360 42.059 0.418 0.000 1.144 310 L HN 0.278 nan 8.230 nan 0.000 0.496 311 D N 3.146 123.793 120.400 0.411 0.000 2.454 311 D HA 0.153 4.792 4.640 -0.000 0.000 0.225 311 D C 0.677 177.105 176.300 0.212 0.000 1.081 311 D CA -0.178 54.054 54.000 0.387 0.000 0.864 311 D CB 1.536 42.674 40.800 0.564 0.000 1.040 311 D HN 0.652 nan 8.370 nan 0.000 0.517 312 T N 2.051 116.685 114.554 0.133 0.000 3.035 312 T HA -0.033 4.316 4.350 -0.000 0.000 0.268 312 T C 1.897 176.588 174.700 -0.016 0.000 1.109 312 T CA 0.572 62.694 62.100 0.038 0.000 1.119 312 T CB 0.365 69.244 68.868 0.018 0.000 0.900 312 T HN 0.272 nan 8.240 nan 0.000 0.503 313 V N 1.387 121.261 119.914 -0.067 0.000 2.323 313 V HA -0.040 4.080 4.120 -0.000 0.000 0.244 313 V C 2.843 178.869 176.094 -0.114 0.000 1.041 313 V CA 1.564 63.718 62.300 -0.244 0.000 1.025 313 V CB -1.058 30.293 31.823 -0.786 0.000 0.656 313 V HN 0.468 nan 8.190 nan 0.000 0.451 314 A N -0.227 122.625 122.820 0.054 0.000 1.930 314 A HA -0.103 4.217 4.320 -0.000 0.000 0.217 314 A C 2.370 179.957 177.584 0.005 0.000 1.175 314 A CA 1.749 53.858 52.037 0.121 0.000 0.627 314 A CB -0.547 18.596 19.000 0.238 0.000 0.815 314 A HN 0.317 nan 8.150 nan 0.000 0.443 315 V N -0.003 119.916 119.914 0.009 0.000 2.358 315 V HA -0.228 3.892 4.120 -0.000 0.000 0.246 315 V C 2.570 178.700 176.094 0.060 0.000 1.047 315 V CA 2.056 64.367 62.300 0.017 0.000 1.035 315 V CB -0.757 31.065 31.823 -0.001 0.000 0.658 315 V HN 0.521 nan 8.190 nan 0.000 0.452 316 R N -0.126 120.393 120.500 0.031 0.000 2.127 316 R HA -0.206 4.133 4.340 -0.000 0.000 0.238 316 R C 2.437 178.729 176.300 -0.014 0.000 1.134 316 R CA 1.568 57.678 56.100 0.016 0.000 0.975 316 R CB -0.334 29.952 30.300 -0.022 0.000 0.865 316 R HN 0.350 nan 8.270 nan 0.000 0.447 317 R N 0.961 121.449 120.500 -0.021 0.000 2.115 317 R HA 0.001 4.341 4.340 -0.000 0.000 0.226 317 R C 1.832 178.108 176.300 -0.040 0.000 1.100 317 R CA 1.611 57.693 56.100 -0.030 0.000 0.980 317 R CB -0.361 29.939 30.300 0.001 0.000 0.875 317 R HN 0.168 nan 8.270 nan 0.000 0.445 318 A N -0.105 122.699 122.820 -0.028 0.000 2.066 318 A HA 0.036 4.356 4.320 -0.000 0.000 0.218 318 A C 2.135 179.695 177.584 -0.040 0.000 1.157 318 A CA 1.192 53.209 52.037 -0.034 0.000 0.670 318 A CB -0.333 18.656 19.000 -0.018 0.000 0.804 318 A HN 0.176 nan 8.150 nan 0.000 0.453 319 V N 1.120 121.018 119.914 -0.027 0.000 2.270 319 V HA -0.335 3.785 4.120 -0.000 0.000 0.245 319 V C 2.855 178.879 176.094 -0.116 0.000 1.043 319 V CA 2.284 64.532 62.300 -0.086 0.000 1.014 319 V CB -0.984 30.802 31.823 -0.061 0.000 0.645 319 V HN 0.905 nan 8.190 nan 0.000 0.447 320 Q N 0.044 119.785 119.800 -0.099 0.000 2.123 320 Q HA -0.124 4.216 4.340 -0.000 0.000 0.199 320 Q C 2.158 178.077 176.000 -0.134 0.000 0.966 320 Q CA 1.688 57.424 55.803 -0.113 0.000 0.845 320 Q CB -0.474 28.204 28.738 -0.099 0.000 0.907 320 Q HN 0.547 nan 8.270 nan 0.000 0.439 321 L N 0.912 122.048 121.223 -0.145 0.000 2.265 321 L HA -0.094 4.246 4.340 -0.000 0.000 0.215 321 L C 1.386 178.166 176.870 -0.150 0.000 1.117 321 L CA 0.739 55.464 54.840 -0.192 0.000 0.782 321 L CB -0.241 41.687 42.059 -0.218 0.000 0.914 321 L HN 0.339 nan 8.230 nan 0.000 0.441 322 N N -1.048 117.577 118.700 -0.126 0.000 2.184 322 N HA 0.002 4.742 4.740 -0.000 0.000 0.206 322 N C 0.549 175.971 175.510 -0.146 0.000 1.151 322 N CA 0.879 53.858 53.050 -0.119 0.000 0.878 322 N CB 0.624 39.052 38.487 -0.097 0.000 1.014 322 N HN 0.215 nan 8.380 nan 0.000 0.512 323 S N 0.155 115.761 115.700 -0.156 0.000 3.631 323 S HA -0.210 4.260 4.470 -0.000 0.000 0.366 323 S C 0.322 174.787 174.600 -0.226 0.000 0.993 323 S CA 0.196 58.291 58.200 -0.174 0.000 1.167 323 S CB -2.605 60.503 63.200 -0.154 0.000 0.909 323 S HN 0.326 nan 8.310 nan 0.000 0.478 324 L N 0.994 122.062 121.223 -0.258 0.000 2.516 324 L HA 0.132 4.471 4.340 -0.000 0.000 0.288 324 L C 1.579 178.185 176.870 -0.440 0.000 1.246 324 L CA 0.794 55.420 54.840 -0.357 0.000 0.844 324 L CB 0.278 42.067 42.059 -0.451 0.000 1.106 324 L HN 0.780 nan 8.230 nan 0.000 0.509 325 S N -0.868 114.470 115.700 -0.603 0.000 2.733 325 S HA 0.403 4.873 4.470 -0.000 0.000 0.247 325 S C 0.254 174.439 174.600 -0.692 0.000 1.043 325 S CA 0.048 57.837 58.200 -0.685 0.000 1.066 325 S CB 1.127 63.810 63.200 -0.861 0.000 1.045 325 S HN 0.870 nan 8.310 nan 0.000 0.586 326 G N 0.586 109.024 108.800 -0.604 0.000 2.616 326 G HA2 0.551 4.511 3.960 -0.000 0.000 0.294 326 G HA3 0.551 4.511 3.960 -0.000 0.000 0.294 326 G C -1.722 173.058 174.900 -0.199 0.000 1.489 326 G CA -0.641 44.296 45.100 -0.271 0.000 0.836 326 G HN 0.052 nan 8.290 nan 0.000 0.527 327 F N -0.180 119.772 119.950 0.004 0.000 2.497 327 F HA 0.749 5.276 4.527 -0.000 0.000 0.331 327 F C 0.472 176.290 175.800 0.031 0.000 1.060 327 F CA -1.356 56.648 58.000 0.007 0.000 0.989 327 F CB 2.305 41.298 39.000 -0.011 0.000 1.245 327 F HN 0.562 nan 8.300 nan 0.000 0.486 328 C N 4.603 124.060 119.300 0.262 0.000 2.407 328 C HA 0.673 5.133 4.460 -0.000 0.000 0.328 328 C C -1.118 173.928 174.990 0.094 0.000 1.137 328 C CA -0.850 58.252 59.018 0.140 0.000 1.390 328 C CB -0.610 27.194 27.740 0.106 0.000 1.989 328 C HN 0.705 nan 8.230 nan 0.000 0.432 329 L N 7.136 128.399 121.223 0.067 0.000 2.319 329 L HA 0.658 4.998 4.340 -0.000 0.000 0.280 329 L C 0.700 177.605 176.870 0.060 0.000 1.099 329 L CA 1.087 55.953 54.840 0.042 0.000 0.828 329 L CB 1.284 43.369 42.059 0.044 0.000 1.150 329 L HN 0.903 nan 8.230 nan 0.000 0.442 330 T N 0.748 115.336 114.554 0.058 0.000 2.942 330 T HA 0.495 4.845 4.350 -0.000 0.000 0.289 330 T C 0.172 174.932 174.700 0.099 0.000 1.044 330 T CA -0.733 61.406 62.100 0.064 0.000 1.023 330 T CB 1.369 70.262 68.868 0.041 0.000 1.123 330 T HN 0.597 nan 8.240 nan 0.000 0.512 331 K N -0.100 120.374 120.400 0.123 0.000 3.069 331 K HA -0.165 4.155 4.320 -0.000 0.000 0.267 331 K C 0.811 177.577 176.600 0.277 0.000 1.082 331 K CA 0.469 56.875 56.287 0.199 0.000 0.782 331 K CB -1.430 31.204 32.500 0.224 0.000 1.230 331 K HN 0.519 nan 8.250 nan 0.000 0.488 332 L N 2.001 123.375 121.223 0.251 0.000 2.079 332 L HA -0.200 4.140 4.340 -0.000 0.000 0.210 332 L C 2.178 179.273 176.870 0.375 0.000 1.081 332 L CA 2.551 57.587 54.840 0.328 0.000 0.752 332 L CB -0.372 41.834 42.059 0.246 0.000 0.896 332 L HN 0.421 nan 8.230 nan 0.000 0.433 333 D N -1.381 119.202 120.400 0.305 0.000 2.263 333 D HA -0.166 4.474 4.640 -0.000 0.000 0.208 333 D C 1.798 178.249 176.300 0.252 0.000 0.971 333 D CA 1.395 55.588 54.000 0.322 0.000 0.867 333 D CB -0.462 40.541 40.800 0.338 0.000 0.929 333 D HN 0.359 nan 8.370 nan 0.000 0.492 334 V N 1.219 121.254 119.914 0.203 0.000 2.720 334 V HA -0.183 3.937 4.120 -0.000 0.000 0.256 334 V C 2.538 178.634 176.094 0.002 0.000 1.082 334 V CA 0.941 63.262 62.300 0.035 0.000 1.101 334 V CB -0.514 31.305 31.823 -0.007 0.000 0.693 334 V HN 0.279 nan 8.190 nan 0.000 0.479 335 L N -0.937 120.350 121.223 0.106 0.000 2.509 335 L HA 0.116 4.456 4.340 -0.000 0.000 0.222 335 L C 0.446 177.231 176.870 -0.142 0.000 1.123 335 L CA -0.066 54.770 54.840 -0.007 0.000 0.856 335 L CB -0.520 41.494 42.059 -0.075 0.000 0.985 335 L HN 0.277 nan 8.230 nan 0.000 0.456 336 D N 1.182 121.617 120.400 0.058 0.000 2.571 336 D HA 0.154 4.794 4.640 -0.000 0.000 0.231 336 D C 1.348 177.615 176.300 -0.054 0.000 1.133 336 D CA 1.547 55.559 54.000 0.020 0.000 0.862 336 D CB 0.777 41.715 40.800 0.231 0.000 1.179 336 D HN 0.293 nan 8.370 nan 0.000 0.474 337 G N 1.300 110.005 108.800 -0.159 0.000 2.320 337 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.242 337 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.242 337 G C 0.525 175.265 174.900 -0.267 0.000 1.033 337 G CA 0.103 45.114 45.100 -0.147 0.000 0.620 337 G HN 0.496 nan 8.290 nan 0.000 0.517 338 L N 0.949 121.964 121.223 -0.348 0.000 2.506 338 L HA 0.171 4.511 4.340 -0.000 0.000 0.281 338 L C 1.984 178.679 176.870 -0.292 0.000 1.228 338 L CA 0.754 55.383 54.840 -0.350 0.000 0.850 338 L CB 0.703 42.595 42.059 -0.277 0.000 1.110 338 L HN 0.373 nan 8.230 nan 0.000 0.496 339 K N 2.307 122.577 120.400 -0.218 0.000 2.025 339 K HA -0.075 4.245 4.320 -0.000 0.000 0.207 339 K C 0.161 176.669 176.600 -0.154 0.000 1.049 339 K CA 1.167 57.359 56.287 -0.159 0.000 0.933 339 K CB 0.306 32.732 32.500 -0.123 0.000 0.714 339 K HN 0.767 nan 8.250 nan 0.000 0.438 340 E N -0.250 119.852 120.200 -0.164 0.000 2.356 340 E HA 0.371 4.721 4.350 -0.000 0.000 0.275 340 E C -1.315 175.134 176.600 -0.252 0.000 0.904 340 E CA -1.121 55.170 56.400 -0.182 0.000 0.757 340 E CB 2.199 31.808 29.700 -0.152 0.000 1.232 340 E HN -0.127 nan 8.360 nan 0.000 0.442 341 V N 1.704 121.425 119.914 -0.322 0.000 2.881 341 V HA 0.546 4.666 4.120 -0.000 0.000 0.316 341 V C -0.417 175.271 176.094 -0.675 0.000 1.070 341 V CA -0.701 61.317 62.300 -0.470 0.000 0.976 341 V CB 1.865 33.470 31.823 -0.364 0.000 1.038 341 V HN 0.653 nan 8.190 nan 0.000 0.446 342 K N 3.063 122.757 120.400 -1.176 0.000 2.469 342 K HA 0.824 5.144 4.320 -0.000 0.000 0.254 342 K C -1.923 174.521 176.600 -0.260 0.000 0.939 342 K CA -0.755 54.997 56.287 -0.890 0.000 0.812 342 K CB 2.434 33.955 32.500 -1.632 0.000 1.301 342 K HN 0.500 nan 8.250 nan 0.000 0.433 343 L N -1.361 119.922 121.223 0.099 0.000 2.464 343 L HA 0.530 4.870 4.340 -0.000 0.000 0.266 343 L C -0.548 176.513 176.870 0.319 0.000 0.965 343 L CA -0.904 54.122 54.840 0.310 0.000 0.833 343 L CB 1.299 43.504 42.059 0.243 0.000 1.296 343 L HN 0.671 nan 8.230 nan 0.000 0.405 344 C N 2.998 122.481 119.300 0.305 0.000 2.648 344 C HA 0.481 4.940 4.460 -0.000 0.000 0.415 344 C C 1.718 176.729 174.990 0.034 0.000 1.366 344 C CA 0.462 59.506 59.018 0.043 0.000 1.756 344 C CB -0.197 27.600 27.740 0.094 0.000 2.549 344 C HN 0.822 nan 8.230 nan 0.000 0.597 345 V N 3.341 123.243 119.914 -0.020 0.000 3.556 345 V HA 0.630 4.750 4.120 -0.000 0.000 0.287 345 V C 0.578 176.617 176.094 -0.091 0.000 1.422 345 V CA 0.721 62.998 62.300 -0.038 0.000 1.038 345 V CB -1.033 30.784 31.823 -0.011 0.000 0.850 345 V HN 1.214 nan 8.190 nan 0.000 0.437 346 A N -0.817 121.946 122.820 -0.095 0.000 2.586 346 A HA 0.818 5.138 4.320 -0.000 0.000 0.290 346 A C -2.144 175.465 177.584 0.040 0.000 1.086 346 A CA -0.481 51.490 52.037 -0.110 0.000 0.665 346 A CB 1.208 20.179 19.000 -0.048 0.000 1.279 346 A HN 0.150 nan 8.150 nan 0.000 0.423 347 Y N 0.151 120.421 120.300 -0.050 0.000 2.409 347 Y HA 0.663 5.212 4.550 -0.000 0.000 0.343 347 Y C 0.472 176.348 175.900 -0.040 0.000 0.973 347 Y CA -1.075 56.996 58.100 -0.048 0.000 1.064 347 Y CB 1.813 40.236 38.460 -0.061 0.000 1.207 347 Y HN 0.774 nan 8.280 nan 0.000 0.452 348 R N 4.123 124.695 120.500 0.121 0.000 2.207 348 R HA 0.423 4.763 4.340 -0.000 0.000 0.334 348 R C -0.617 175.709 176.300 0.044 0.000 1.013 348 R CA -0.626 55.511 56.100 0.062 0.000 0.858 348 R CB 0.410 30.735 30.300 0.042 0.000 1.094 348 R HN 0.530 nan 8.270 nan 0.000 0.457 349 M N 5.917 125.539 119.600 0.037 0.000 2.240 349 M HA 0.162 4.642 4.480 -0.000 0.000 0.333 349 M C -1.564 174.747 176.300 0.018 0.000 1.110 349 M CA -2.512 52.801 55.300 0.021 0.000 1.173 349 M CB 0.335 32.945 32.600 0.016 0.000 1.458 349 M HN 0.427 nan 8.290 nan 0.000 0.458 350 P HA -0.200 nan 4.420 nan 0.000 0.216 350 P C -0.055 177.255 177.300 0.017 0.000 1.154 350 P CA 1.542 64.653 63.100 0.018 0.000 0.865 350 P CB -0.154 31.558 31.700 0.020 0.000 0.789 351 D N -2.085 118.324 120.400 0.015 0.000 2.504 351 D HA 0.210 4.850 4.640 -0.000 0.000 0.243 351 D C 1.304 177.612 176.300 0.013 0.000 1.203 351 D CA 0.267 54.275 54.000 0.013 0.000 0.847 351 D CB -1.172 39.635 40.800 0.012 0.000 0.973 351 D HN 0.184 nan 8.370 nan 0.000 0.490 352 G N 0.866 109.675 108.800 0.015 0.000 2.270 352 G HA2 -0.453 3.506 3.960 -0.000 0.000 0.268 352 G HA3 -0.453 3.506 3.960 -0.000 0.000 0.268 352 G C 0.583 175.492 174.900 0.015 0.000 0.982 352 G CA 0.194 45.303 45.100 0.015 0.000 0.628 352 G HN 0.601 nan 8.290 nan 0.000 0.544 353 R N 1.532 122.040 120.500 0.013 0.000 2.421 353 R HA 0.302 4.642 4.340 -0.000 0.000 0.305 353 R C -0.258 176.052 176.300 0.017 0.000 1.039 353 R CA 0.115 56.222 56.100 0.011 0.000 1.003 353 R CB 0.084 30.389 30.300 0.008 0.000 0.959 353 R HN 0.459 nan 8.270 nan 0.000 0.427 354 E N 4.626 124.834 120.200 0.013 0.000 2.014 354 E HA 0.085 4.435 4.350 -0.000 0.000 0.275 354 E C -0.136 176.465 176.600 0.002 0.000 0.997 354 E CA -0.477 55.933 56.400 0.016 0.000 0.804 354 E CB 1.176 30.883 29.700 0.011 0.000 1.090 354 E HN 0.439 nan 8.360 nan 0.000 0.401 355 V N 0.823 120.741 119.914 0.006 0.000 2.973 355 V HA 0.463 4.583 4.120 -0.000 0.000 0.314 355 V C 0.683 176.725 176.094 -0.086 0.000 1.066 355 V CA -0.362 61.921 62.300 -0.029 0.000 1.021 355 V CB 1.749 33.559 31.823 -0.022 0.000 1.076 355 V HN 0.620 nan 8.190 nan 0.000 0.462 356 T N -1.138 113.347 114.554 -0.116 0.000 3.084 356 T HA 0.289 4.639 4.350 -0.000 0.000 0.270 356 T C 0.502 175.078 174.700 -0.208 0.000 1.008 356 T CA 0.484 62.481 62.100 -0.172 0.000 0.900 356 T CB -0.664 68.135 68.868 -0.115 0.000 1.084 356 T HN 1.181 nan 8.240 nan 0.000 0.538 357 T N 0.559 115.003 114.554 -0.184 0.000 2.887 357 T HA 0.632 4.982 4.350 -0.000 0.000 0.288 357 T C 0.011 174.601 174.700 -0.183 0.000 1.021 357 T CA -0.672 61.331 62.100 -0.160 0.000 1.000 357 T CB 1.791 70.601 68.868 -0.096 0.000 1.034 357 T HN 0.227 nan 8.240 nan 0.000 0.467 358 T N 0.693 115.150 114.554 -0.162 0.000 2.904 358 T HA 0.597 4.947 4.350 -0.000 0.000 0.290 358 T C -2.489 172.048 174.700 -0.271 0.000 1.018 358 T CA -1.399 60.581 62.100 -0.200 0.000 1.075 358 T CB 0.134 68.969 68.868 -0.056 0.000 0.986 358 T HN 0.448 nan 8.240 nan 0.000 0.523 359 P HA 0.337 nan 4.420 nan 0.000 0.275 359 P C 0.471 177.721 177.300 -0.082 0.000 1.266 359 P CA -0.692 62.136 63.100 -0.452 0.000 0.793 359 P CB 0.617 31.808 31.700 -0.847 0.000 1.074 360 L N -0.431 120.881 121.223 0.148 0.000 2.639 360 L HA 0.310 4.650 4.340 -0.000 0.000 0.183 360 L C 1.088 178.271 176.870 0.520 0.000 1.308 360 L CA 0.021 55.064 54.840 0.337 0.000 0.875 360 L CB -1.091 41.081 42.059 0.190 0.000 1.189 360 L HN 0.302 nan 8.230 nan 0.000 0.523 361 A N 0.074 123.112 122.820 0.364 0.000 2.498 361 A HA 0.322 4.642 4.320 -0.000 0.000 0.239 361 A C 1.290 179.184 177.584 0.517 0.000 1.068 361 A CA 0.555 52.816 52.037 0.373 0.000 0.766 361 A CB 0.491 19.648 19.000 0.262 0.000 1.003 361 A HN 0.482 nan 8.150 nan 0.000 0.497 362 A N 1.380 124.433 122.820 0.387 0.000 1.948 362 A HA -0.199 4.121 4.320 -0.000 0.000 0.220 362 A C 1.564 179.379 177.584 0.385 0.000 1.177 362 A CA 2.087 54.314 52.037 0.316 0.000 0.636 362 A CB -0.536 18.649 19.000 0.307 0.000 0.815 362 A HN 0.849 nan 8.150 nan 0.000 0.449 363 D N 0.224 120.813 120.400 0.316 0.000 2.219 363 D HA -0.112 4.528 4.640 -0.000 0.000 0.205 363 D C 0.714 177.164 176.300 0.251 0.000 0.970 363 D CA 1.255 55.402 54.000 0.244 0.000 0.851 363 D CB -0.347 40.563 40.800 0.182 0.000 0.943 363 D HN 0.486 nan 8.370 nan 0.000 0.488 364 D N -0.481 120.101 120.400 0.303 0.000 2.348 364 D HA -0.101 4.539 4.640 -0.000 0.000 0.216 364 D C 1.496 177.890 176.300 0.157 0.000 0.970 364 D CA 0.361 54.473 54.000 0.187 0.000 0.889 364 D CB -0.281 40.594 40.800 0.124 0.000 0.912 364 D HN 0.408 nan 8.370 nan 0.000 0.524 365 W N 1.129 122.480 121.300 0.086 0.000 2.812 365 W HA 0.199 4.859 4.660 -0.000 0.000 0.263 365 W C 2.228 178.761 176.519 0.023 0.000 1.284 365 W CA -0.435 56.943 57.345 0.055 0.000 1.430 365 W CB -0.131 29.378 29.460 0.082 0.000 1.088 365 W HN -0.156 nan 8.180 nan 0.000 0.623 366 K N -0.028 120.529 120.400 0.262 0.000 2.227 366 K HA -0.214 4.105 4.320 -0.000 0.000 0.208 366 K C 1.777 178.436 176.600 0.099 0.000 1.045 366 K CA 1.879 58.257 56.287 0.152 0.000 0.931 366 K CB -0.589 31.985 32.500 0.122 0.000 0.721 366 K HN 0.244 nan 8.250 nan 0.000 0.469 367 G N -0.436 108.412 108.800 0.079 0.000 3.596 367 G HA2 0.181 4.141 3.960 -0.000 0.000 0.274 367 G HA3 0.181 4.141 3.960 -0.000 0.000 0.274 367 G C -0.207 174.706 174.900 0.020 0.000 1.007 367 G CA 0.091 45.218 45.100 0.046 0.000 0.825 367 G HN 0.191 nan 8.290 nan 0.000 0.508 368 V N -1.297 118.615 119.914 -0.003 0.000 2.811 368 V HA 0.622 4.742 4.120 -0.000 0.000 0.302 368 V C -0.687 175.367 176.094 -0.066 0.000 1.063 368 V CA -0.733 61.522 62.300 -0.075 0.000 1.088 368 V CB 1.416 33.086 31.823 -0.254 0.000 0.982 368 V HN 0.229 nan 8.190 nan 0.000 0.485 369 E N 5.493 125.664 120.200 -0.049 0.000 2.248 369 E HA 0.513 4.863 4.350 -0.000 0.000 0.267 369 E C -2.744 173.845 176.600 -0.019 0.000 0.877 369 E CA -2.103 54.290 56.400 -0.012 0.000 0.759 369 E CB 2.430 32.145 29.700 0.026 0.000 1.182 369 E HN 0.718 nan 8.360 nan 0.000 0.418 370 P HA 0.214 nan 4.420 nan 0.000 0.274 370 P C -0.571 176.606 177.300 -0.206 0.000 1.237 370 P CA -0.153 62.873 63.100 -0.123 0.000 0.793 370 P CB 1.108 32.602 31.700 -0.343 0.000 0.977 371 I N 2.100 122.550 120.570 -0.200 0.000 2.420 371 I HA 0.261 4.431 4.170 -0.000 0.000 0.282 371 I C -0.066 175.944 176.117 -0.179 0.000 1.019 371 I CA -0.769 60.462 61.300 -0.116 0.000 1.130 371 I CB 0.705 38.696 38.000 -0.016 0.000 1.262 371 I HN 0.258 nan 8.210 nan 0.000 0.454 372 Y N 3.920 124.247 120.300 0.045 0.000 2.408 372 Y HA 0.461 5.011 4.550 -0.000 0.000 0.324 372 Y C 0.438 176.324 175.900 -0.023 0.000 1.302 372 Y CA -0.555 57.544 58.100 -0.000 0.000 1.384 372 Y CB 0.757 39.170 38.460 -0.079 0.000 1.367 372 Y HN 0.404 nan 8.280 nan 0.000 0.525 373 E N 0.057 120.353 120.200 0.160 0.000 2.224 373 E HA 0.354 4.704 4.350 -0.000 0.000 0.265 373 E C -1.418 175.186 176.600 0.007 0.000 0.878 373 E CA -0.597 55.843 56.400 0.067 0.000 0.759 373 E CB 1.604 31.339 29.700 0.059 0.000 1.164 373 E HN 0.545 nan 8.360 nan 0.000 0.414 374 T N 4.377 118.911 114.554 -0.033 0.000 2.824 374 T HA 0.590 4.939 4.350 -0.000 0.000 0.280 374 T C -0.044 174.621 174.700 -0.058 0.000 0.995 374 T CA -0.540 61.493 62.100 -0.112 0.000 1.009 374 T CB 0.619 69.410 68.868 -0.127 0.000 0.955 374 T HN 0.439 nan 8.240 nan 0.000 0.452 375 M N 1.583 121.143 119.600 -0.067 0.000 2.618 375 M HA 0.647 5.127 4.480 -0.000 0.000 0.281 375 M C -3.067 173.222 176.300 -0.019 0.000 1.267 375 M CA -2.663 52.638 55.300 0.002 0.000 0.845 375 M CB 2.138 34.789 32.600 0.084 0.000 1.732 375 M HN 0.147 nan 8.290 nan 0.000 0.461 376 P HA 0.153 nan 4.420 nan 0.000 0.267 376 P C -0.163 177.160 177.300 0.039 0.000 1.205 376 P CA 0.332 63.444 63.100 0.020 0.000 0.765 376 P CB 0.767 32.502 31.700 0.058 0.000 0.828 377 G N 2.618 111.346 108.800 -0.120 0.000 2.485 377 G HA2 0.460 4.420 3.960 -0.000 0.000 0.260 377 G HA3 0.460 4.420 3.960 -0.000 0.000 0.260 377 G C -1.211 173.646 174.900 -0.072 0.000 1.459 377 G CA -0.686 44.173 45.100 -0.401 0.000 1.060 377 G HN 0.683 nan 8.290 nan 0.000 0.546 378 W N -2.444 118.847 121.300 -0.015 0.000 3.372 378 W HA 0.555 5.214 4.660 -0.000 0.000 0.315 378 W C 0.578 177.103 176.519 0.010 0.000 1.223 378 W CA -0.295 57.051 57.345 0.002 0.000 1.202 378 W CB 0.899 30.368 29.460 0.015 0.000 1.367 378 W HN 0.573 nan 8.180 nan 0.000 0.531 379 S N -0.250 115.548 115.700 0.165 0.000 2.421 379 S HA -0.064 4.406 4.470 -0.000 0.000 0.224 379 S C 0.534 175.226 174.600 0.154 0.000 1.035 379 S CA 0.529 58.785 58.200 0.094 0.000 0.953 379 S CB -0.601 62.632 63.200 0.056 0.000 0.810 379 S HN 0.599 nan 8.310 nan 0.000 0.497 380 E N 2.302 122.623 120.200 0.202 0.000 2.398 380 E HA 0.220 4.570 4.350 -0.000 0.000 0.263 380 E C -0.412 176.332 176.600 0.240 0.000 1.046 380 E CA -0.181 56.326 56.400 0.179 0.000 0.908 380 E CB 0.419 30.199 29.700 0.134 0.000 0.963 380 E HN 0.127 nan 8.360 nan 0.000 0.431 381 S N 0.512 116.323 115.700 0.186 0.000 2.549 381 S HA 0.113 4.583 4.470 -0.000 0.000 0.279 381 S C 0.803 175.524 174.600 0.200 0.000 1.321 381 S CA 0.153 58.481 58.200 0.213 0.000 1.054 381 S CB 0.230 63.540 63.200 0.184 0.000 0.899 381 S HN 0.605 nan 8.310 nan 0.000 0.497 382 T N 2.479 117.177 114.554 0.239 0.000 3.003 382 T HA 0.231 4.581 4.350 -0.000 0.000 0.261 382 T C 0.344 175.138 174.700 0.157 0.000 1.003 382 T CA -0.381 61.811 62.100 0.153 0.000 0.917 382 T CB -0.339 68.607 68.868 0.130 0.000 1.084 382 T HN 0.500 nan 8.240 nan 0.000 0.522 383 F N 3.356 123.366 119.950 0.099 0.000 2.608 383 F HA 0.409 4.936 4.527 -0.000 0.000 0.380 383 F C 1.537 177.372 175.800 0.059 0.000 1.083 383 F CA 1.119 59.167 58.000 0.079 0.000 1.266 383 F CB -0.038 39.006 39.000 0.074 0.000 1.076 383 F HN 0.403 nan 8.300 nan 0.000 0.574 384 G N 3.594 111.915 108.800 -0.798 0.000 2.220 384 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.269 384 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.269 384 G C 0.095 174.892 174.900 -0.172 0.000 0.977 384 G CA 0.152 44.955 45.100 -0.496 0.000 0.634 384 G HN 0.799 nan 8.290 nan 0.000 0.539 385 V N 1.659 121.516 119.914 -0.094 0.000 2.599 385 V HA 0.198 4.318 4.120 -0.000 0.000 0.300 385 V C 1.425 177.486 176.094 -0.055 0.000 1.034 385 V CA 1.044 63.319 62.300 -0.043 0.000 1.115 385 V CB 1.313 33.125 31.823 -0.019 0.000 0.934 385 V HN 0.356 nan 8.190 nan 0.000 0.485 386 K N 2.331 122.709 120.400 -0.037 0.000 2.370 386 K HA 0.199 4.518 4.320 -0.000 0.000 0.194 386 K C 0.200 176.788 176.600 -0.019 0.000 1.070 386 K CA -0.002 56.266 56.287 -0.031 0.000 0.998 386 K CB 0.414 32.899 32.500 -0.024 0.000 0.911 386 K HN 0.738 nan 8.250 nan 0.000 0.533 387 D N 0.923 121.313 120.400 -0.016 0.000 2.192 387 D HA 0.144 4.783 4.640 -0.000 0.000 0.246 387 D C 1.037 177.327 176.300 -0.017 0.000 1.042 387 D CA -0.439 53.553 54.000 -0.012 0.000 0.847 387 D CB 1.719 42.515 40.800 -0.007 0.000 1.186 387 D HN -0.150 nan 8.370 nan 0.000 0.461 388 R N 1.796 122.286 120.500 -0.016 0.000 2.073 388 R HA -0.111 4.229 4.340 -0.000 0.000 0.234 388 R C 1.455 177.739 176.300 -0.026 0.000 1.134 388 R CA 1.486 57.572 56.100 -0.022 0.000 0.952 388 R CB -0.170 30.120 30.300 -0.016 0.000 0.850 388 R HN 0.460 nan 8.270 nan 0.000 0.433 389 S N -0.357 115.333 115.700 -0.017 0.000 2.462 389 S HA -0.115 4.354 4.470 -0.000 0.000 0.243 389 S C 1.538 176.129 174.600 -0.016 0.000 1.003 389 S CA 1.124 59.315 58.200 -0.015 0.000 0.970 389 S CB -0.098 63.097 63.200 -0.007 0.000 0.762 389 S HN 0.657 nan 8.310 nan 0.000 0.510 390 G N 0.231 109.020 108.800 -0.017 0.000 2.985 390 G HA2 0.310 4.270 3.960 -0.000 0.000 0.209 390 G HA3 0.310 4.270 3.960 -0.000 0.000 0.209 390 G C 0.203 175.086 174.900 -0.028 0.000 1.165 390 G CA -0.274 44.818 45.100 -0.013 0.000 0.776 390 G HN 0.335 nan 8.290 nan 0.000 0.541 391 L N 1.873 123.064 121.223 -0.053 0.000 2.334 391 L HA 0.336 4.676 4.340 -0.000 0.000 0.277 391 L C -1.802 174.999 176.870 -0.114 0.000 1.075 391 L CA -2.003 52.775 54.840 -0.103 0.000 0.804 391 L CB 1.680 43.661 42.059 -0.130 0.000 1.174 391 L HN -0.038 nan 8.230 nan 0.000 0.438 392 P HA 0.033 nan 4.420 nan 0.000 0.276 392 P C -0.082 177.135 177.300 -0.138 0.000 1.230 392 P CA -0.346 62.687 63.100 -0.112 0.000 0.776 392 P CB 1.364 33.025 31.700 -0.066 0.000 0.888 393 Q N 4.501 124.270 119.800 -0.051 0.000 2.065 393 Q HA -0.287 4.053 4.340 -0.000 0.000 0.213 393 Q C 2.091 178.073 176.000 -0.031 0.000 1.012 393 Q CA 3.173 58.957 55.803 -0.030 0.000 0.876 393 Q CB -1.427 27.317 28.738 0.010 0.000 0.954 393 Q HN 0.590 nan 8.270 nan 0.000 0.413 394 A N -0.154 122.685 122.820 0.031 0.000 1.948 394 A HA -0.140 4.180 4.320 -0.000 0.000 0.220 394 A C 2.262 179.827 177.584 -0.033 0.000 1.177 394 A CA 2.392 54.518 52.037 0.149 0.000 0.636 394 A CB -1.213 18.025 19.000 0.396 0.000 0.815 394 A HN 0.600 nan 8.150 nan 0.000 0.449 395 A N -0.424 122.035 122.820 -0.600 0.000 1.873 395 A HA 0.027 4.347 4.320 -0.000 0.000 0.215 395 A C 2.145 179.497 177.584 -0.387 0.000 1.186 395 A CA 1.364 52.677 52.037 -1.206 0.000 0.616 395 A CB -0.578 17.580 19.000 -1.404 0.000 0.823 395 A HN 0.462 nan 8.150 nan 0.000 0.442 396 L N -0.165 120.917 121.223 -0.235 0.000 2.131 396 L HA -0.198 4.141 4.340 -0.000 0.000 0.210 396 L C 2.148 179.005 176.870 -0.022 0.000 1.092 396 L CA 1.103 55.885 54.840 -0.098 0.000 0.759 396 L CB -0.578 41.438 42.059 -0.073 0.000 0.903 396 L HN 0.367 nan 8.230 nan 0.000 0.435 397 N N -0.840 117.868 118.700 0.013 0.000 2.216 397 N HA -0.207 4.533 4.740 -0.000 0.000 0.183 397 N C 1.675 177.265 175.510 0.133 0.000 1.017 397 N CA 0.923 54.015 53.050 0.070 0.000 0.861 397 N CB -0.325 38.218 38.487 0.093 0.000 0.986 397 N HN 0.296 nan 8.380 nan 0.000 0.428 398 Y N 1.712 122.034 120.300 0.037 0.000 2.145 398 Y HA -0.067 4.483 4.550 -0.000 0.000 0.286 398 Y C 2.055 177.987 175.900 0.053 0.000 1.145 398 Y CA 1.267 59.431 58.100 0.106 0.000 1.148 398 Y CB -0.421 38.177 38.460 0.231 0.000 0.981 398 Y HN -0.025 nan 8.280 nan 0.000 0.507 399 I N 0.367 120.950 120.570 0.022 0.000 2.099 399 I HA -0.362 3.808 4.170 -0.000 0.000 0.239 399 I C 2.579 178.655 176.117 -0.068 0.000 1.066 399 I CA 2.067 63.326 61.300 -0.069 0.000 1.324 399 I CB -0.586 37.404 38.000 -0.016 0.000 1.037 399 I HN 0.154 nan 8.210 nan 0.000 0.401 400 K N 0.986 121.372 120.400 -0.023 0.000 2.103 400 K HA -0.266 4.054 4.320 -0.000 0.000 0.207 400 K C 2.322 178.909 176.600 -0.022 0.000 1.048 400 K CA 1.580 57.860 56.287 -0.012 0.000 0.930 400 K CB -0.049 32.452 32.500 0.003 0.000 0.716 400 K HN -0.014 nan 8.250 nan 0.000 0.444 401 R N 1.166 121.647 120.500 -0.031 0.000 2.115 401 R HA 0.020 4.360 4.340 -0.000 0.000 0.230 401 R C 1.922 178.181 176.300 -0.069 0.000 1.111 401 R CA 1.265 57.345 56.100 -0.032 0.000 0.976 401 R CB -0.366 29.931 30.300 -0.006 0.000 0.870 401 R HN 0.325 nan 8.270 nan 0.000 0.445 402 I N 0.342 120.826 120.570 -0.142 0.000 2.315 402 I HA -0.221 3.949 4.170 -0.000 0.000 0.248 402 I C 1.749 177.843 176.117 -0.038 0.000 1.117 402 I CA 1.509 62.716 61.300 -0.156 0.000 1.404 402 I CB -0.308 37.520 38.000 -0.287 0.000 1.071 402 I HN 0.273 nan 8.210 nan 0.000 0.419 403 E N 0.721 120.916 120.200 -0.008 0.000 2.204 403 E HA -0.199 4.151 4.350 -0.000 0.000 0.194 403 E C 1.929 178.547 176.600 0.030 0.000 0.989 403 E CA 0.960 57.389 56.400 0.048 0.000 0.824 403 E CB -0.030 29.693 29.700 0.038 0.000 0.756 403 E HN 0.580 nan 8.360 nan 0.000 0.477 404 E N 0.636 120.841 120.200 0.008 0.000 2.122 404 E HA -0.066 4.284 4.350 -0.000 0.000 0.190 404 E C 2.180 178.782 176.600 0.003 0.000 0.977 404 E CA 0.437 56.840 56.400 0.004 0.000 0.820 404 E CB 0.066 29.766 29.700 0.000 0.000 0.770 404 E HN 0.200 nan 8.360 nan 0.000 0.462 405 L N 0.871 122.095 121.223 0.001 0.000 2.056 405 L HA -0.125 4.214 4.340 -0.000 0.000 0.207 405 L C 2.811 179.689 176.870 0.012 0.000 1.078 405 L CA 1.634 56.473 54.840 -0.001 0.000 0.749 405 L CB -0.540 41.512 42.059 -0.011 0.000 0.901 405 L HN 0.284 nan 8.230 nan 0.000 0.433 406 T N -4.328 110.255 114.554 0.048 0.000 3.044 406 T HA 0.178 4.528 4.350 -0.000 0.000 0.255 406 T C 1.573 176.301 174.700 0.046 0.000 1.073 406 T CA 0.583 62.737 62.100 0.091 0.000 1.125 406 T CB 0.461 69.490 68.868 0.268 0.000 0.908 406 T HN 0.439 nan 8.240 nan 0.000 0.480 407 G N 0.646 109.465 108.800 0.033 0.000 2.179 407 G HA2 -0.209 3.750 3.960 -0.000 0.000 0.260 407 G HA3 -0.209 3.750 3.960 -0.000 0.000 0.260 407 G C 0.040 174.920 174.900 -0.033 0.000 0.977 407 G CA 0.114 45.210 45.100 -0.008 0.000 0.641 407 G HN 0.773 nan 8.290 nan 0.000 0.533 408 V N 2.705 122.612 119.914 -0.012 0.000 2.513 408 V HA 0.610 4.730 4.120 -0.000 0.000 0.299 408 V C -1.536 174.565 176.094 0.013 0.000 1.035 408 V CA -1.574 60.654 62.300 -0.119 0.000 0.889 408 V CB 2.105 33.641 31.823 -0.478 0.000 0.988 408 V HN 0.196 nan 8.190 nan 0.000 0.440 409 P HA 0.325 nan 4.420 nan 0.000 0.278 409 P C -0.715 176.656 177.300 0.119 0.000 1.238 409 P CA -0.219 62.909 63.100 0.046 0.000 0.794 409 P CB 1.308 33.016 31.700 0.013 0.000 0.955 410 I N 3.033 123.686 120.570 0.139 0.000 2.287 410 I HA 0.080 4.250 4.170 -0.000 0.000 0.290 410 I C 0.901 177.081 176.117 0.105 0.000 1.069 410 I CA -0.054 61.344 61.300 0.164 0.000 1.237 410 I CB 0.657 38.727 38.000 0.116 0.000 1.418 410 I HN 0.210 nan 8.210 nan 0.000 0.481 411 D N 6.098 126.568 120.400 0.116 0.000 2.271 411 D HA 0.238 4.878 4.640 -0.000 0.000 0.206 411 D C 0.491 176.827 176.300 0.060 0.000 0.967 411 D CA 1.147 55.199 54.000 0.086 0.000 0.867 411 D CB 0.851 41.719 40.800 0.113 0.000 0.960 411 D HN 0.343 nan 8.370 nan 0.000 0.509 412 I N 0.712 121.324 120.570 0.069 0.000 2.647 412 I HA 0.351 4.521 4.170 -0.000 0.000 0.295 412 I C -0.767 175.379 176.117 0.049 0.000 1.078 412 I CA -0.729 60.598 61.300 0.045 0.000 1.048 412 I CB 3.010 41.032 38.000 0.037 0.000 1.239 412 I HN -0.356 nan 8.210 nan 0.000 0.421 413 I N 3.462 124.051 120.570 0.031 0.000 2.478 413 I HA 0.258 4.428 4.170 -0.000 0.000 0.287 413 I C -0.324 175.803 176.117 0.016 0.000 1.042 413 I CA -0.389 60.929 61.300 0.029 0.000 1.067 413 I CB 2.089 40.101 38.000 0.019 0.000 1.233 413 I HN 0.433 nan 8.210 nan 0.000 0.431 414 S N 2.879 118.594 115.700 0.024 0.000 2.457 414 S HA 0.385 4.855 4.470 -0.000 0.000 0.289 414 S C 0.685 175.284 174.600 -0.001 0.000 1.163 414 S CA -0.392 57.812 58.200 0.006 0.000 1.078 414 S CB 0.581 63.794 63.200 0.021 0.000 0.987 414 S HN 0.765 nan 8.310 nan 0.000 0.482 415 T N 0.912 115.430 114.554 -0.060 0.000 3.182 415 T HA 0.585 4.935 4.350 -0.000 0.000 0.277 415 T C 0.429 174.960 174.700 -0.281 0.000 1.013 415 T CA -0.015 62.023 62.100 -0.102 0.000 0.900 415 T CB 0.132 68.931 68.868 -0.116 0.000 1.098 415 T HN 0.816 nan 8.240 nan 0.000 0.543 416 G N 1.733 110.402 108.800 -0.217 0.000 2.411 416 G HA2 0.480 4.440 3.960 -0.000 0.000 0.295 416 G HA3 0.480 4.440 3.960 -0.000 0.000 0.295 416 G C -2.737 172.126 174.900 -0.062 0.000 1.542 416 G CA -0.947 43.976 45.100 -0.295 0.000 0.814 416 G HN -0.218 nan 8.290 nan 0.000 0.557 417 P HA 0.001 nan 4.420 nan 0.000 0.230 417 P C 0.122 177.447 177.300 0.042 0.000 1.158 417 P CA 0.687 63.830 63.100 0.071 0.000 0.769 417 P CB 0.352 32.125 31.700 0.120 0.000 0.807 418 D N 0.204 120.614 120.400 0.017 0.000 2.304 418 D HA 0.021 4.660 4.640 -0.000 0.000 0.247 418 D C 1.368 177.666 176.300 -0.003 0.000 1.089 418 D CA -0.338 53.670 54.000 0.013 0.000 0.910 418 D CB 1.456 42.263 40.800 0.013 0.000 1.199 418 D HN -0.154 nan 8.370 nan 0.000 0.426 419 R N 1.078 121.583 120.500 0.008 0.000 2.127 419 R HA -0.156 4.184 4.340 -0.000 0.000 0.238 419 R C 1.714 178.012 176.300 -0.003 0.000 1.134 419 R CA 2.251 58.355 56.100 0.006 0.000 0.975 419 R CB -0.221 30.086 30.300 0.012 0.000 0.865 419 R HN 0.491 nan 8.270 nan 0.000 0.447 420 T N -2.667 111.882 114.554 -0.008 0.000 3.065 420 T HA 0.090 4.440 4.350 -0.000 0.000 0.252 420 T C 0.333 175.012 174.700 -0.036 0.000 1.099 420 T CA 0.088 62.179 62.100 -0.014 0.000 1.063 420 T CB 0.130 68.993 68.868 -0.007 0.000 0.948 420 T HN 0.320 nan 8.240 nan 0.000 0.506 421 E N 2.232 122.396 120.200 -0.061 0.000 2.110 421 E HA 0.314 4.664 4.350 -0.000 0.000 0.300 421 E C -0.744 175.801 176.600 -0.091 0.000 1.278 421 E CA -0.281 56.050 56.400 -0.116 0.000 1.365 421 E CB 0.020 29.589 29.700 -0.218 0.000 1.283 421 E HN 0.384 nan 8.360 nan 0.000 0.490 422 T N 0.723 115.244 114.554 -0.055 0.000 2.889 422 T HA 0.411 4.761 4.350 -0.000 0.000 0.315 422 T C -0.416 174.271 174.700 -0.021 0.000 1.291 422 T CA -0.813 61.268 62.100 -0.032 0.000 1.028 422 T CB 1.394 70.254 68.868 -0.014 0.000 1.235 422 T HN 0.129 nan 8.240 nan 0.000 0.491 423 M N 2.459 122.052 119.600 -0.012 0.000 2.078 423 M HA 0.488 4.968 4.480 -0.000 0.000 0.320 423 M C -0.821 175.481 176.300 0.003 0.000 0.969 423 M CA -0.507 54.789 55.300 -0.006 0.000 0.929 423 M CB 1.302 33.897 32.600 -0.007 0.000 1.504 423 M HN 0.404 nan 8.290 nan 0.000 0.419 424 I N 4.807 125.380 120.570 0.004 0.000 2.282 424 I HA 0.111 4.281 4.170 -0.000 0.000 0.290 424 I C 0.992 177.114 176.117 0.008 0.000 1.090 424 I CA -0.161 61.143 61.300 0.007 0.000 1.231 424 I CB 0.740 38.745 38.000 0.007 0.000 1.434 424 I HN 0.824 nan 8.210 nan 0.000 0.487 425 L N 4.887 126.117 121.223 0.012 0.000 2.044 425 L HA 0.031 4.370 4.340 -0.000 0.000 0.205 425 L C 1.287 178.165 176.870 0.012 0.000 1.075 425 L CA 1.188 56.036 54.840 0.014 0.000 0.747 425 L CB -0.268 41.803 42.059 0.020 0.000 0.903 425 L HN 0.541 nan 8.230 nan 0.000 0.435 426 R N 0.274 120.780 120.500 0.010 0.000 2.538 426 R HA 0.168 4.508 4.340 -0.000 0.000 0.292 426 R C -1.303 174.971 176.300 -0.045 0.000 1.008 426 R CA -0.581 55.518 56.100 -0.001 0.000 0.896 426 R CB 1.662 31.974 30.300 0.021 0.000 1.187 426 R HN -0.107 nan 8.270 nan 0.000 0.440 427 D N 4.656 125.022 120.400 -0.057 0.000 2.304 427 D HA 0.151 4.790 4.640 -0.000 0.000 0.250 427 D C -1.767 174.371 176.300 -0.270 0.000 1.107 427 D CA -2.118 51.819 54.000 -0.105 0.000 0.885 427 D CB 2.012 42.811 40.800 -0.002 0.000 1.192 427 D HN 0.300 nan 8.370 nan 0.000 0.436 428 P HA -0.043 nan 4.420 nan 0.000 0.218 428 P C 0.856 177.726 177.300 -0.716 0.000 1.149 428 P CA 0.787 63.238 63.100 -1.081 0.000 0.817 428 P CB 0.061 31.000 31.700 -1.269 0.000 0.785 429 F N -0.791 118.940 119.950 -0.365 0.000 2.748 429 F HA -0.014 4.513 4.527 -0.000 0.000 0.299 429 F C 1.533 177.186 175.800 -0.246 0.000 1.154 429 F CA 0.967 58.730 58.000 -0.394 0.000 1.446 429 F CB -0.558 38.219 39.000 -0.371 0.000 1.112 429 F HN -0.077 nan 8.300 nan 0.000 0.584 430 D N -0.555 119.835 120.400 -0.016 0.000 2.392 430 D HA 0.212 4.852 4.640 -0.000 0.000 0.206 430 D C 1.291 177.587 176.300 -0.006 0.000 1.046 430 D CA 0.352 54.361 54.000 0.016 0.000 0.865 430 D CB 0.093 40.908 40.800 0.025 0.000 0.969 430 D HN 0.104 nan 8.370 nan 0.000 0.509 431 A N 0.000 122.790 122.820 -0.050 0.000 2.254 431 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 431 A CA 0.000 52.046 52.037 0.014 0.000 0.836 431 A CB 0.000 19.051 19.000 0.085 0.000 0.831 431 A HN 0.000 nan 8.150 nan 0.000 0.486