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 3gxo_1_B DATA FIRST_RESID 11 DATA SEQUENCE GTAARAAAEE TVNDILQGAW KARAIHVAVE LGVPELLQEG PRTATALAEA DATA SEQUENCE TGAHEQTLRR LLRLLATVGV FDDLGHDDLF AQNALSAVLL PDPASPVATD DATA SEQUENCE ARFQAAPWHW RAWEQLTHSV RTGEASFDVA NGTSFWQLTH EDPKARELFN DATA SEQUENCE RAXGSVSLTE AGQVAAAYDF SGAATAVDIG GGRGSLXAAV LDAFPGLRGT DATA SEQUENCE LLERPPVAEE ARELLTGRGL ADRCEILPGD FFETIPDGAD VYLIKHVLHD DATA SEQUENCE WDDDDVVRIL RRIATAXKPD SRLLVIDNLI DERPAASTLF VDLLLLVLVG DATA SEQUENCE GAERSESEFA ALLEKSGLRV ERSLPCGAGP VRIVEIRRA 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 11 G HA2 0.000 nan 3.960 nan 0.000 0.244 11 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 11 G C 0.000 174.900 174.900 0.000 0.000 0.946 11 G CA 0.000 45.100 45.100 0.000 0.000 0.502 12 T N 0.012 114.567 114.554 0.001 0.000 2.788 12 T HA 0.024 4.374 4.350 0.001 0.000 0.268 12 T C 2.317 177.018 174.700 0.001 0.000 1.044 12 T CA 2.547 64.648 62.100 0.001 0.000 1.139 12 T CB -0.077 68.792 68.868 0.001 0.000 0.867 12 T HN 0.790 nan 8.240 nan 0.000 0.454 13 A N -0.138 122.682 122.820 0.001 0.000 2.327 13 A HA 0.697 5.018 4.320 0.001 0.000 0.228 13 A C 2.289 179.873 177.584 0.000 0.000 1.275 13 A CA 0.903 52.941 52.037 0.001 0.000 0.875 13 A CB -0.693 18.308 19.000 0.001 0.000 0.925 13 A HN 0.586 nan 8.150 nan 0.000 0.493 14 A N 0.529 123.349 122.820 -0.000 0.000 1.972 14 A HA -0.148 4.172 4.320 0.001 0.000 0.219 14 A C 2.146 179.729 177.584 -0.001 0.000 1.169 14 A CA 1.544 53.581 52.037 -0.001 0.000 0.635 14 A CB -0.395 18.605 19.000 -0.001 0.000 0.810 14 A HN 0.575 nan 8.150 nan 0.000 0.446 15 R N -0.314 120.186 120.500 -0.001 0.000 2.092 15 R HA -0.046 4.294 4.340 0.001 0.000 0.231 15 R C 2.217 178.516 176.300 -0.002 0.000 1.119 15 R CA 1.300 57.399 56.100 -0.001 0.000 0.970 15 R CB -0.407 29.893 30.300 -0.000 0.000 0.864 15 R HN 0.412 nan 8.270 nan 0.000 0.440 16 A N 0.685 123.504 122.820 -0.001 0.000 1.940 16 A HA -0.163 4.158 4.320 0.001 0.000 0.219 16 A C 2.306 179.889 177.584 -0.003 0.000 1.176 16 A CA 1.834 53.870 52.037 -0.001 0.000 0.631 16 A CB -0.720 18.281 19.000 0.000 0.000 0.814 16 A HN 0.552 nan 8.150 nan 0.000 0.446 17 A N -0.407 122.411 122.820 -0.003 0.000 1.898 17 A HA 0.293 4.614 4.320 0.001 0.000 0.214 17 A C 2.508 180.088 177.584 -0.007 0.000 1.183 17 A CA 1.706 53.741 52.037 -0.005 0.000 0.622 17 A CB -1.046 17.952 19.000 -0.004 0.000 0.824 17 A HN 1.052 nan 8.150 nan 0.000 0.444 18 A N 0.194 123.011 122.820 -0.006 0.000 1.884 18 A HA -0.278 4.042 4.320 0.001 0.000 0.219 18 A C 1.910 179.488 177.584 -0.010 0.000 1.197 18 A CA 2.061 54.094 52.037 -0.007 0.000 0.637 18 A CB -0.759 18.238 19.000 -0.005 0.000 0.827 18 A HN 0.620 nan 8.150 nan 0.000 0.450 19 E N -0.982 119.213 120.200 -0.008 0.000 2.058 19 E HA -0.232 4.119 4.350 0.001 0.000 0.194 19 E C 2.104 178.695 176.600 -0.015 0.000 0.997 19 E CA 1.407 57.801 56.400 -0.010 0.000 0.801 19 E CB -0.148 29.549 29.700 -0.005 0.000 0.746 19 E HN 0.831 nan 8.360 nan 0.000 0.450 20 E N 0.126 120.318 120.200 -0.013 0.000 2.058 20 E HA -0.201 4.150 4.350 0.001 0.000 0.194 20 E C 1.885 178.470 176.600 -0.024 0.000 0.997 20 E CA 1.947 58.338 56.400 -0.016 0.000 0.801 20 E CB 0.011 29.705 29.700 -0.010 0.000 0.746 20 E HN 0.108 nan 8.360 nan 0.000 0.450 21 T N 0.240 114.782 114.554 -0.021 0.000 2.684 21 T HA -0.146 4.205 4.350 0.001 0.000 0.267 21 T C 1.887 176.566 174.700 -0.035 0.000 1.036 21 T CA 1.495 63.581 62.100 -0.025 0.000 1.148 21 T CB -0.227 68.631 68.868 -0.017 0.000 0.863 21 T HN 0.050 nan 8.240 nan 0.000 0.436 22 V N 1.881 121.775 119.914 -0.034 0.000 2.548 22 V HA -0.112 4.009 4.120 0.001 0.000 0.249 22 V C 2.410 178.464 176.094 -0.066 0.000 1.055 22 V CA 1.514 63.788 62.300 -0.043 0.000 1.065 22 V CB -0.731 31.074 31.823 -0.031 0.000 0.681 22 V HN 0.438 nan 8.190 nan 0.000 0.462 23 N N 0.703 119.366 118.700 -0.061 0.000 2.084 23 N HA -0.182 4.558 4.740 0.001 0.000 0.190 23 N C 1.500 176.934 175.510 -0.127 0.000 1.030 23 N CA 1.613 54.612 53.050 -0.085 0.000 0.849 23 N CB -0.206 38.250 38.487 -0.051 0.000 1.012 23 N HN 0.390 nan 8.380 nan 0.000 0.423 24 D N -0.059 120.285 120.400 -0.094 0.000 2.221 24 D HA -0.101 4.540 4.640 0.001 0.000 0.204 24 D C 1.875 178.094 176.300 -0.135 0.000 0.982 24 D CA 0.644 54.583 54.000 -0.103 0.000 0.857 24 D CB -0.109 40.653 40.800 -0.063 0.000 0.934 24 D HN 0.450 nan 8.370 nan 0.000 0.475 25 I N 0.385 120.882 120.570 -0.122 0.000 2.202 25 I HA -0.208 3.963 4.170 0.001 0.000 0.242 25 I C 2.391 178.388 176.117 -0.199 0.000 1.091 25 I CA 0.579 61.803 61.300 -0.126 0.000 1.368 25 I CB -0.167 37.787 38.000 -0.078 0.000 1.058 25 I HN -0.023 nan 8.210 nan 0.000 0.410 26 L N 0.172 121.253 121.223 -0.236 0.000 2.042 26 L HA -0.262 4.079 4.340 0.001 0.000 0.210 26 L C 2.520 178.989 176.870 -0.668 0.000 1.076 26 L CA 1.630 56.256 54.840 -0.355 0.000 0.749 26 L CB -0.739 41.137 42.059 -0.305 0.000 0.893 26 L HN 0.349 nan 8.230 nan 0.000 0.432 27 Q N -0.294 119.099 119.800 -0.678 0.000 2.369 27 Q HA -0.075 4.266 4.340 0.001 0.000 0.206 27 Q C 2.273 177.979 176.000 -0.491 0.000 0.963 27 Q CA 0.837 56.110 55.803 -0.882 0.000 0.894 27 Q CB -0.229 28.247 28.738 -0.437 0.000 0.965 27 Q HN 0.610 nan 8.270 nan 0.000 0.475 28 G N 1.188 109.789 108.800 -0.331 0.000 2.450 28 G HA2 -0.286 3.675 3.960 0.001 0.000 0.220 28 G HA3 -0.286 3.675 3.960 0.001 0.000 0.220 28 G C 1.473 176.271 174.900 -0.171 0.000 1.130 28 G CA 0.879 45.858 45.100 -0.202 0.000 0.760 28 G HN 0.422 nan 8.290 nan 0.000 0.557 29 A N 0.638 123.321 122.820 -0.229 0.000 1.883 29 A HA -0.090 4.231 4.320 0.001 0.000 0.217 29 A C 2.195 179.909 177.584 0.216 0.000 1.186 29 A CA 1.776 53.812 52.037 -0.002 0.000 0.624 29 A CB -0.681 18.325 19.000 0.010 0.000 0.822 29 A HN 0.487 nan 8.150 nan 0.000 0.444 30 W N 0.093 121.415 121.300 0.037 0.000 2.402 30 W HA -0.019 4.642 4.660 0.001 0.000 0.286 30 W C 2.131 178.600 176.519 -0.083 0.000 1.221 30 W CA 0.843 58.175 57.345 -0.023 0.000 1.257 30 W CB -0.902 28.548 29.460 -0.017 0.000 1.120 30 W HN 0.435 nan 8.180 nan 0.000 0.551 31 K N 0.654 121.112 120.400 0.096 0.000 2.147 31 K HA -0.088 4.233 4.320 0.001 0.000 0.205 31 K C 2.126 178.667 176.600 -0.097 0.000 1.049 31 K CA 1.652 57.939 56.287 0.001 0.000 0.936 31 K CB -0.148 32.330 32.500 -0.036 0.000 0.722 31 K HN -0.025 nan 8.250 nan 0.000 0.446 32 A N 0.857 123.593 122.820 -0.140 0.000 1.898 32 A HA -0.076 4.244 4.320 0.001 0.000 0.214 32 A C 2.059 179.212 177.584 -0.718 0.000 1.183 32 A CA 1.017 52.841 52.037 -0.356 0.000 0.622 32 A CB -0.350 18.515 19.000 -0.225 0.000 0.824 32 A HN 0.217 nan 8.150 nan 0.000 0.444 33 R N 0.137 120.383 120.500 -0.424 0.000 2.120 33 R HA -0.011 4.330 4.340 0.001 0.000 0.234 33 R C 2.122 178.238 176.300 -0.307 0.000 1.123 33 R CA 1.549 57.361 56.100 -0.479 0.000 0.975 33 R CB -0.630 29.363 30.300 -0.510 0.000 0.866 33 R HN 0.438 nan 8.270 nan 0.000 0.446 34 A N 0.100 122.801 122.820 -0.198 0.000 1.933 34 A HA -0.115 4.206 4.320 0.001 0.000 0.218 34 A C 2.180 179.711 177.584 -0.088 0.000 1.175 34 A CA 1.433 53.403 52.037 -0.111 0.000 0.628 34 A CB -0.491 18.481 19.000 -0.047 0.000 0.814 34 A HN 0.339 nan 8.150 nan 0.000 0.444 35 I N -1.162 119.321 120.570 -0.144 0.000 2.202 35 I HA -0.263 3.907 4.170 0.001 0.000 0.242 35 I C 2.355 178.466 176.117 -0.010 0.000 1.091 35 I CA 1.511 62.766 61.300 -0.076 0.000 1.368 35 I CB -0.571 37.356 38.000 -0.120 0.000 1.058 35 I HN 0.488 nan 8.210 nan 0.000 0.410 36 H N -0.507 118.510 119.070 -0.088 0.000 2.357 36 H HA -0.193 4.363 4.556 0.001 0.000 0.296 36 H C 2.327 177.588 175.328 -0.112 0.000 1.108 36 H CA 1.466 57.441 56.048 -0.121 0.000 1.273 36 H CB -0.105 29.536 29.762 -0.201 0.000 1.367 36 H HN 0.153 nan 8.280 nan 0.000 0.498 37 V N 0.739 120.653 119.914 0.001 0.000 2.453 37 V HA -0.204 3.917 4.120 0.001 0.000 0.247 37 V C 2.641 178.726 176.094 -0.016 0.000 1.048 37 V CA 1.350 63.626 62.300 -0.040 0.000 1.049 37 V CB -0.733 31.041 31.823 -0.082 0.000 0.672 37 V HN 0.541 nan 8.190 nan 0.000 0.457 38 A N 0.609 123.437 122.820 0.014 0.000 1.902 38 A HA -0.161 4.160 4.320 0.001 0.000 0.217 38 A C 2.396 180.024 177.584 0.073 0.000 1.181 38 A CA 2.291 54.363 52.037 0.058 0.000 0.623 38 A CB -0.663 18.451 19.000 0.190 0.000 0.818 38 A HN 0.634 nan 8.150 nan 0.000 0.443 39 V N -2.002 117.953 119.914 0.068 0.000 2.649 39 V HA -0.105 4.016 4.120 0.001 0.000 0.248 39 V C 2.062 178.174 176.094 0.031 0.000 1.054 39 V CA 2.090 64.425 62.300 0.058 0.000 1.073 39 V CB -0.750 31.107 31.823 0.057 0.000 0.699 39 V HN 0.646 nan 8.190 nan 0.000 0.463 40 E N 0.706 120.913 120.200 0.012 0.000 2.085 40 E HA -0.214 4.137 4.350 0.001 0.000 0.194 40 E C 2.055 178.652 176.600 -0.006 0.000 0.994 40 E CA 2.088 58.484 56.400 -0.007 0.000 0.801 40 E CB -0.272 29.407 29.700 -0.034 0.000 0.743 40 E HN 0.723 nan 8.360 nan 0.000 0.453 41 L N -0.602 120.614 121.223 -0.011 0.000 2.395 41 L HA 0.102 4.443 4.340 0.001 0.000 0.218 41 L C 1.445 178.310 176.870 -0.009 0.000 1.130 41 L CA 0.466 55.294 54.840 -0.020 0.000 0.826 41 L CB -0.094 41.939 42.059 -0.043 0.000 0.941 41 L HN 0.448 nan 8.230 nan 0.000 0.451 42 G N -0.255 108.551 108.800 0.011 0.000 2.182 42 G HA2 -0.239 3.722 3.960 0.001 0.000 0.248 42 G HA3 -0.239 3.722 3.960 0.001 0.000 0.248 42 G C 0.684 175.599 174.900 0.024 0.000 1.042 42 G CA 0.272 45.386 45.100 0.023 0.000 0.775 42 G HN 0.099 nan 8.290 nan 0.000 0.501 43 V N 0.528 120.457 119.914 0.024 0.000 2.295 43 V HA -0.149 3.971 4.120 0.001 0.000 0.246 43 V C 0.856 177.005 176.094 0.091 0.000 1.049 43 V CA 2.653 64.951 62.300 -0.003 0.000 1.024 43 V CB -0.883 30.872 31.823 -0.112 0.000 0.648 43 V HN 0.441 nan 8.190 nan 0.000 0.447 44 P HA -0.157 nan 4.420 nan 0.000 0.218 44 P C 1.459 178.836 177.300 0.128 0.000 1.149 44 P CA 1.290 64.538 63.100 0.245 0.000 0.817 44 P CB -0.134 31.667 31.700 0.169 0.000 0.785 45 E N -0.067 120.181 120.200 0.080 0.000 2.427 45 E HA -0.052 4.298 4.350 0.001 0.000 0.196 45 E C 1.669 178.295 176.600 0.043 0.000 1.028 45 E CA 0.686 57.118 56.400 0.053 0.000 0.864 45 E CB -0.963 28.760 29.700 0.039 0.000 0.813 45 E HN 0.322 nan 8.360 nan 0.000 0.514 46 L N 0.372 121.618 121.223 0.038 0.000 2.492 46 L HA 0.086 4.427 4.340 0.001 0.000 0.223 46 L C 2.093 178.981 176.870 0.030 0.000 1.132 46 L CA 0.338 55.190 54.840 0.019 0.000 0.850 46 L CB -0.077 41.977 42.059 -0.008 0.000 0.966 46 L HN 0.059 nan 8.230 nan 0.000 0.454 47 L N -0.859 120.400 121.223 0.060 0.000 2.667 47 L HA 0.074 4.415 4.340 0.001 0.000 0.232 47 L C 1.867 178.779 176.870 0.070 0.000 1.138 47 L CA 0.064 54.949 54.840 0.076 0.000 0.921 47 L CB 0.066 42.208 42.059 0.138 0.000 1.180 47 L HN 0.300 nan 8.230 nan 0.000 0.487 48 Q N 0.101 119.933 119.800 0.054 0.000 2.311 48 Q HA -0.066 4.274 4.340 0.001 0.000 0.203 48 Q C 0.828 176.849 176.000 0.035 0.000 0.954 48 Q CA 0.771 56.600 55.803 0.044 0.000 0.885 48 Q CB 0.420 29.180 28.738 0.036 0.000 0.963 48 Q HN 0.353 nan 8.270 nan 0.000 0.471 49 E N 0.069 120.288 120.200 0.031 0.000 2.423 49 E HA 0.230 4.580 4.350 0.001 0.000 0.198 49 E C 0.155 176.771 176.600 0.027 0.000 1.038 49 E CA 0.113 56.528 56.400 0.025 0.000 1.011 49 E CB 0.816 30.528 29.700 0.020 0.000 1.118 49 E HN 0.339 nan 8.360 nan 0.000 0.451 50 G N 1.829 110.649 108.800 0.034 0.000 2.479 50 G HA2 -0.135 3.826 3.960 0.001 0.000 0.686 50 G HA3 -0.135 3.826 3.960 0.001 0.000 0.686 50 G C -2.929 171.994 174.900 0.039 0.000 1.295 50 G CA -1.265 43.856 45.100 0.034 0.000 0.922 50 G HN -0.069 nan 8.290 nan 0.000 0.582 51 P HA 0.419 nan 4.420 nan 0.000 0.268 51 P C -0.196 177.122 177.300 0.030 0.000 1.208 51 P CA 0.025 63.148 63.100 0.039 0.000 0.777 51 P CB 0.458 32.169 31.700 0.017 0.000 0.875 52 R N 0.142 120.665 120.500 0.039 0.000 2.740 52 R HA 0.427 4.768 4.340 0.001 0.000 0.273 52 R C -0.324 176.004 176.300 0.047 0.000 0.998 52 R CA -0.607 55.507 56.100 0.024 0.000 0.900 52 R CB 1.425 31.727 30.300 0.004 0.000 1.223 52 R HN 0.485 nan 8.270 nan 0.000 0.466 53 T N -1.569 113.000 114.554 0.026 0.000 2.898 53 T HA 0.250 4.600 4.350 0.001 0.000 0.301 53 T C 1.450 176.157 174.700 0.012 0.000 1.049 53 T CA 0.009 62.137 62.100 0.046 0.000 1.095 53 T CB 1.274 70.149 68.868 0.012 0.000 0.976 53 T HN 0.582 nan 8.240 nan 0.000 0.539 54 A N 2.221 125.057 122.820 0.027 0.000 2.024 54 A HA -0.032 4.289 4.320 0.001 0.000 0.220 54 A C 2.407 179.923 177.584 -0.113 0.000 1.164 54 A CA 1.933 53.889 52.037 -0.136 0.000 0.643 54 A CB -1.579 17.322 19.000 -0.166 0.000 0.806 54 A HN 0.943 nan 8.150 nan 0.000 0.451 55 T N 0.345 114.861 114.554 -0.064 0.000 2.674 55 T HA -0.018 4.333 4.350 0.001 0.000 0.265 55 T C 2.275 176.936 174.700 -0.065 0.000 1.039 55 T CA 1.599 63.658 62.100 -0.068 0.000 1.150 55 T CB -0.510 68.330 68.868 -0.046 0.000 0.864 55 T HN 0.602 nan 8.240 nan 0.000 0.427 56 A N 1.362 124.152 122.820 -0.049 0.000 1.902 56 A HA 0.010 4.331 4.320 0.001 0.000 0.217 56 A C 2.345 179.893 177.584 -0.061 0.000 1.181 56 A CA 1.189 53.200 52.037 -0.044 0.000 0.623 56 A CB -0.920 18.063 19.000 -0.029 0.000 0.818 56 A HN 0.471 nan 8.150 nan 0.000 0.443 57 L N -0.970 120.202 121.223 -0.085 0.000 2.083 57 L HA -0.210 4.131 4.340 0.001 0.000 0.209 57 L C 3.087 179.889 176.870 -0.112 0.000 1.083 57 L CA 1.116 55.887 54.840 -0.114 0.000 0.752 57 L CB -0.605 41.343 42.059 -0.186 0.000 0.899 57 L HN 0.470 nan 8.230 nan 0.000 0.433 58 A N -0.135 122.615 122.820 -0.116 0.000 1.897 58 A HA -0.236 4.085 4.320 0.001 0.000 0.215 58 A C 2.249 179.788 177.584 -0.075 0.000 1.181 58 A CA 1.633 53.606 52.037 -0.106 0.000 0.620 58 A CB -0.451 18.474 19.000 -0.123 0.000 0.821 58 A HN 0.452 nan 8.150 nan 0.000 0.443 59 E N -0.002 120.158 120.200 -0.067 0.000 2.058 59 E HA -0.144 4.207 4.350 0.001 0.000 0.194 59 E C 2.009 178.585 176.600 -0.040 0.000 0.997 59 E CA 1.221 57.592 56.400 -0.048 0.000 0.801 59 E CB -0.273 29.401 29.700 -0.043 0.000 0.746 59 E HN 0.512 nan 8.360 nan 0.000 0.450 60 A N 0.028 122.823 122.820 -0.042 0.000 2.066 60 A HA -0.101 4.219 4.320 0.001 0.000 0.218 60 A C 2.201 179.765 177.584 -0.033 0.000 1.157 60 A CA 1.773 53.791 52.037 -0.033 0.000 0.670 60 A CB -0.480 18.501 19.000 -0.032 0.000 0.804 60 A HN 0.481 nan 8.150 nan 0.000 0.453 61 T N -5.309 109.219 114.554 -0.043 0.000 3.023 61 T HA 0.419 4.769 4.350 0.001 0.000 0.253 61 T C 1.246 175.926 174.700 -0.033 0.000 1.038 61 T CA 0.999 63.075 62.100 -0.040 0.000 0.962 61 T CB 0.190 69.024 68.868 -0.055 0.000 1.018 61 T HN 1.623 nan 8.240 nan 0.000 0.521 62 G N 1.336 110.117 108.800 -0.032 0.000 2.198 62 G HA2 0.061 4.022 3.960 0.001 0.000 0.257 62 G HA3 0.061 4.022 3.960 0.001 0.000 0.257 62 G C 0.133 175.019 174.900 -0.022 0.000 1.042 62 G CA -0.130 44.956 45.100 -0.024 0.000 0.791 62 G HN 1.172 nan 8.290 nan 0.000 0.502 63 A N -0.115 122.685 122.820 -0.034 0.000 2.312 63 A HA 0.702 5.023 4.320 0.001 0.000 0.328 63 A C 0.388 177.967 177.584 -0.008 0.000 1.158 63 A CA -0.418 51.604 52.037 -0.025 0.000 0.821 63 A CB 0.595 19.561 19.000 -0.058 0.000 1.170 63 A HN 0.783 nan 8.150 nan 0.000 0.490 64 H N 1.407 120.437 119.070 -0.066 0.000 3.046 64 H HA -0.009 4.548 4.556 0.002 0.000 0.303 64 H C 1.026 176.312 175.328 -0.069 0.000 1.002 64 H CA 1.082 57.094 56.048 -0.060 0.000 1.460 64 H CB 0.720 30.448 29.762 -0.057 0.000 1.493 64 H HN 0.991 nan 8.280 nan 0.000 0.559 65 E N 3.365 123.264 120.200 -0.502 0.000 2.038 65 E HA -0.294 4.057 4.350 0.001 0.000 0.195 65 E C 1.690 178.128 176.600 -0.270 0.000 1.000 65 E CA 1.412 57.618 56.400 -0.324 0.000 0.803 65 E CB 0.161 29.696 29.700 -0.275 0.000 0.750 65 E HN 0.697 nan 8.360 nan 0.000 0.448 66 Q N 0.228 119.812 119.800 -0.361 0.000 2.124 66 Q HA -0.100 4.241 4.340 0.001 0.000 0.202 66 Q C 1.955 177.960 176.000 0.008 0.000 0.977 66 Q CA 2.483 58.220 55.803 -0.111 0.000 0.850 66 Q CB -0.518 28.209 28.738 -0.018 0.000 0.901 66 Q HN 0.262 nan 8.270 nan 0.000 0.429 67 T N 0.803 115.453 114.554 0.160 0.000 2.904 67 T HA -0.076 4.274 4.350 0.001 0.000 0.267 67 T C 1.495 176.187 174.700 -0.014 0.000 1.059 67 T CA 1.007 63.175 62.100 0.113 0.000 1.137 67 T CB -0.235 68.731 68.868 0.163 0.000 0.879 67 T HN 0.248 nan 8.240 nan 0.000 0.467 68 L N 1.508 122.695 121.223 -0.060 0.000 2.156 68 L HA 0.174 4.515 4.340 0.001 0.000 0.208 68 L C 2.410 179.152 176.870 -0.213 0.000 1.095 68 L CA 1.536 56.289 54.840 -0.145 0.000 0.770 68 L CB -0.558 41.398 42.059 -0.172 0.000 0.914 68 L HN 0.040 nan 8.230 nan 0.000 0.439 69 R N -0.655 119.744 120.500 -0.169 0.000 2.092 69 R HA -0.144 4.196 4.340 0.001 0.000 0.231 69 R C 2.380 178.633 176.300 -0.078 0.000 1.119 69 R CA 1.378 57.386 56.100 -0.153 0.000 0.970 69 R CB -0.117 30.151 30.300 -0.052 0.000 0.864 69 R HN 0.322 nan 8.270 nan 0.000 0.440 70 R N 0.185 120.657 120.500 -0.048 0.000 2.073 70 R HA -0.139 4.202 4.340 0.001 0.000 0.234 70 R C 2.359 178.638 176.300 -0.036 0.000 1.134 70 R CA 1.474 57.563 56.100 -0.018 0.000 0.952 70 R CB -0.560 29.732 30.300 -0.015 0.000 0.850 70 R HN 0.157 nan 8.270 nan 0.000 0.433 71 L N 1.065 122.241 121.223 -0.078 0.000 1.990 71 L HA -0.208 4.133 4.340 0.001 0.000 0.213 71 L C 2.014 178.829 176.870 -0.091 0.000 1.072 71 L CA 1.777 56.566 54.840 -0.085 0.000 0.755 71 L CB -0.360 41.630 42.059 -0.115 0.000 0.889 71 L HN 0.175 nan 8.230 nan 0.000 0.432 72 L N -1.193 119.894 121.223 -0.227 0.000 2.093 72 L HA -0.181 4.160 4.340 0.001 0.000 0.208 72 L C 2.715 179.648 176.870 0.105 0.000 1.085 72 L CA 1.392 56.047 54.840 -0.308 0.000 0.755 72 L CB -0.695 40.683 42.059 -1.135 0.000 0.904 72 L HN 0.327 nan 8.230 nan 0.000 0.435 73 R N 0.829 121.439 120.500 0.183 0.000 2.083 73 R HA -0.241 4.100 4.340 0.001 0.000 0.237 73 R C 2.376 178.770 176.300 0.156 0.000 1.137 73 R CA 1.835 58.091 56.100 0.260 0.000 0.951 73 R CB -0.370 30.034 30.300 0.174 0.000 0.851 73 R HN 0.226 nan 8.270 nan 0.000 0.434 74 L N 1.095 122.376 121.223 0.097 0.000 1.994 74 L HA -0.132 4.208 4.340 0.001 0.000 0.208 74 L C 2.150 179.078 176.870 0.097 0.000 1.071 74 L CA 1.687 56.574 54.840 0.079 0.000 0.745 74 L CB -0.493 41.597 42.059 0.053 0.000 0.892 74 L HN 0.279 nan 8.230 nan 0.000 0.431 75 L N -0.486 120.809 121.223 0.120 0.000 2.017 75 L HA -0.206 4.135 4.340 0.001 0.000 0.208 75 L C 2.695 179.670 176.870 0.175 0.000 1.073 75 L CA 1.318 56.253 54.840 0.157 0.000 0.745 75 L CB -0.900 41.319 42.059 0.268 0.000 0.894 75 L HN 0.423 nan 8.230 nan 0.000 0.432 76 A N -0.754 122.206 122.820 0.234 0.000 1.978 76 A HA -0.215 4.106 4.320 0.001 0.000 0.220 76 A C 2.308 179.960 177.584 0.114 0.000 1.170 76 A CA 2.333 54.495 52.037 0.209 0.000 0.636 76 A CB -0.872 18.277 19.000 0.249 0.000 0.810 76 A HN 0.409 nan 8.150 nan 0.000 0.448 77 T N -0.416 114.197 114.554 0.098 0.000 2.915 77 T HA -0.034 4.316 4.350 0.001 0.000 0.269 77 T C 1.477 176.204 174.700 0.045 0.000 1.071 77 T CA 1.614 63.752 62.100 0.062 0.000 1.132 77 T CB -0.309 68.594 68.868 0.059 0.000 0.878 77 T HN 0.684 nan 8.240 nan 0.000 0.479 78 V N -1.719 118.223 119.914 0.048 0.000 3.271 78 V HA 0.718 4.838 4.120 0.001 0.000 0.327 78 V C 1.344 177.446 176.094 0.014 0.000 1.389 78 V CA 0.132 62.446 62.300 0.024 0.000 1.156 78 V CB -0.547 31.286 31.823 0.016 0.000 1.103 78 V HN 0.457 nan 8.190 nan 0.000 0.453 79 G N 0.067 108.884 108.800 0.027 0.000 2.175 79 G HA2 -0.197 3.763 3.960 0.001 0.000 0.244 79 G HA3 -0.197 3.763 3.960 0.001 0.000 0.244 79 G C 0.004 174.897 174.900 -0.013 0.000 0.982 79 G CA -0.048 45.057 45.100 0.010 0.000 0.641 79 G HN 0.921 nan 8.290 nan 0.000 0.527 80 V N 1.378 121.290 119.914 -0.003 0.000 2.350 80 V HA 0.744 4.865 4.120 0.001 0.000 0.276 80 V C 0.581 176.688 176.094 0.021 0.000 1.028 80 V CA -0.122 62.108 62.300 -0.117 0.000 0.860 80 V CB -0.362 31.371 31.823 -0.150 0.000 0.990 80 V HN 0.744 nan 8.190 nan 0.000 0.453 81 F N 1.645 121.623 119.950 0.047 0.000 2.183 81 F HA -0.160 4.368 4.527 0.001 0.000 0.318 81 F C 0.005 175.858 175.800 0.088 0.000 1.287 81 F CA 0.069 58.120 58.000 0.084 0.000 0.912 81 F CB -0.150 38.931 39.000 0.134 0.000 4.135 81 F HN 0.623 nan 8.300 nan 0.000 0.138 82 D N 1.451 122.025 120.400 0.289 0.000 2.303 82 D HA 0.215 4.856 4.640 0.001 0.000 0.236 82 D C -1.037 175.277 176.300 0.024 0.000 1.068 82 D CA -0.397 53.681 54.000 0.129 0.000 0.830 82 D CB 0.970 41.809 40.800 0.065 0.000 1.109 82 D HN 0.467 nan 8.370 nan 0.000 0.496 83 D N 4.439 124.784 120.400 -0.091 0.000 2.374 83 D HA 0.000 4.641 4.640 0.001 0.000 0.240 83 D C 1.058 177.135 176.300 -0.371 0.000 1.229 83 D CA -0.408 53.308 54.000 -0.474 0.000 0.895 83 D CB 0.683 41.293 40.800 -0.317 0.000 1.046 83 D HN 0.316 nan 8.370 nan 0.000 0.498 84 L N 3.670 124.629 121.223 -0.441 0.000 2.265 84 L HA 0.039 4.380 4.340 0.001 0.000 0.215 84 L C 2.078 178.843 176.870 -0.176 0.000 1.117 84 L CA 1.583 56.260 54.840 -0.271 0.000 0.782 84 L CB -0.619 41.225 42.059 -0.358 0.000 0.914 84 L HN 0.834 nan 8.230 nan 0.000 0.441 85 G N -1.095 107.547 108.800 -0.263 0.000 2.132 85 G HA2 -0.255 3.706 3.960 0.001 0.000 0.228 85 G HA3 -0.255 3.706 3.960 0.001 0.000 0.228 85 G C 0.072 174.983 174.900 0.020 0.000 1.000 85 G CA 0.251 45.291 45.100 -0.101 0.000 0.693 85 G HN 0.834 nan 8.290 nan 0.000 0.515 86 H N -4.099 114.901 119.070 -0.117 0.000 3.057 86 H HA 0.500 5.056 4.556 0.001 0.000 0.308 86 H C 0.067 175.355 175.328 -0.067 0.000 1.276 86 H CA -0.179 55.825 56.048 -0.073 0.000 1.325 86 H CB 0.420 30.149 29.762 -0.055 0.000 1.963 86 H HN -0.012 nan 8.280 nan 0.000 0.524 87 D N 1.002 121.412 120.400 0.016 0.000 3.077 87 D HA -0.210 4.431 4.640 0.001 0.000 0.217 87 D C -0.042 176.216 176.300 -0.071 0.000 1.162 87 D CA 2.098 56.094 54.000 -0.006 0.000 0.943 87 D CB -0.666 40.177 40.800 0.072 0.000 1.122 87 D HN 0.935 nan 8.370 nan 0.000 0.413 88 D N -1.225 119.118 120.400 -0.095 0.000 3.068 88 D HA -0.198 4.442 4.640 0.001 0.000 0.218 88 D C -0.324 175.983 176.300 0.011 0.000 1.145 88 D CA 0.609 54.604 54.000 -0.008 0.000 0.896 88 D CB -1.020 39.802 40.800 0.038 0.000 1.105 88 D HN 0.456 nan 8.370 nan 0.000 0.423 89 L N 0.184 121.276 121.223 -0.219 0.000 2.307 89 L HA 0.554 4.895 4.340 0.001 0.000 0.282 89 L C 0.314 177.008 176.870 -0.293 0.000 1.051 89 L CA -0.537 54.202 54.840 -0.167 0.000 0.804 89 L CB 0.829 42.721 42.059 -0.279 0.000 1.197 89 L HN -0.102 nan 8.230 nan 0.000 0.431 90 F N 1.363 121.243 119.950 -0.117 0.000 2.563 90 F HA 0.786 5.314 4.527 0.002 0.000 0.316 90 F C 0.212 175.992 175.800 -0.032 0.000 1.076 90 F CA -0.692 57.259 58.000 -0.083 0.000 0.921 90 F CB 2.081 40.994 39.000 -0.145 0.000 1.209 90 F HN 0.450 nan 8.300 nan 0.000 0.462 91 A N 1.581 124.517 122.820 0.194 0.000 2.469 91 A HA 0.667 4.987 4.320 0.001 0.000 0.299 91 A C -1.169 176.561 177.584 0.244 0.000 1.098 91 A CA -0.849 51.286 52.037 0.164 0.000 0.737 91 A CB 1.564 20.615 19.000 0.085 0.000 1.312 91 A HN 0.638 nan 8.150 nan 0.000 0.414 92 Q N 0.989 120.908 119.800 0.198 0.000 2.349 92 Q HA 0.303 4.644 4.340 0.001 0.000 0.287 92 Q C -0.021 176.035 176.000 0.093 0.000 1.044 92 Q CA 0.821 56.723 55.803 0.166 0.000 0.918 92 Q CB 0.332 29.131 28.738 0.102 0.000 1.242 92 Q HN 0.882 nan 8.270 nan 0.000 0.405 93 N N 1.054 119.772 118.700 0.030 0.000 2.831 93 N HA 0.432 5.172 4.740 0.001 0.000 0.276 93 N C -0.136 175.349 175.510 -0.041 0.000 1.416 93 N CA -0.125 52.925 53.050 0.000 0.000 0.799 93 N CB 0.163 38.656 38.487 0.009 0.000 1.554 93 N HN 0.437 nan 8.380 nan 0.000 0.541 94 A N 0.300 123.102 122.820 -0.031 0.000 1.915 94 A HA -0.168 4.153 4.320 0.001 0.000 0.220 94 A C 1.967 179.513 177.584 -0.063 0.000 1.198 94 A CA 1.905 53.920 52.037 -0.036 0.000 0.647 94 A CB -1.148 17.837 19.000 -0.025 0.000 0.825 94 A HN 0.609 nan 8.150 nan 0.000 0.456 95 L N -0.245 120.924 121.223 -0.090 0.000 2.131 95 L HA -0.100 4.241 4.340 0.001 0.000 0.206 95 L C 2.954 179.708 176.870 -0.193 0.000 1.087 95 L CA 1.405 56.173 54.840 -0.120 0.000 0.767 95 L CB -0.416 41.573 42.059 -0.118 0.000 0.917 95 L HN 0.637 nan 8.230 nan 0.000 0.441 96 S N 0.039 115.563 115.700 -0.293 0.000 2.436 96 S HA -0.027 4.444 4.470 0.001 0.000 0.228 96 S C 2.140 176.608 174.600 -0.221 0.000 1.014 96 S CA 0.573 58.495 58.200 -0.463 0.000 0.950 96 S CB -0.143 62.468 63.200 -0.980 0.000 0.784 96 S HN 0.283 nan 8.310 nan 0.000 0.504 97 A N 1.582 124.329 122.820 -0.122 0.000 1.972 97 A HA 0.065 4.386 4.320 0.001 0.000 0.219 97 A C 2.279 179.836 177.584 -0.045 0.000 1.169 97 A CA 1.511 53.517 52.037 -0.051 0.000 0.635 97 A CB -1.160 17.825 19.000 -0.026 0.000 0.810 97 A HN 0.465 nan 8.150 nan 0.000 0.446 98 V N -0.108 119.770 119.914 -0.060 0.000 2.828 98 V HA -0.209 3.912 4.120 0.001 0.000 0.260 98 V C 2.117 178.191 176.094 -0.034 0.000 1.101 98 V CA 1.718 63.993 62.300 -0.041 0.000 1.123 98 V CB -0.565 31.230 31.823 -0.047 0.000 0.704 98 V HN 0.590 nan 8.190 nan 0.000 0.493 99 L N -1.003 120.190 121.223 -0.051 0.000 2.567 99 L HA 0.201 4.542 4.340 0.001 0.000 0.225 99 L C 0.734 177.606 176.870 0.003 0.000 1.119 99 L CA -0.069 54.754 54.840 -0.028 0.000 0.871 99 L CB -0.046 41.980 42.059 -0.055 0.000 1.036 99 L HN 0.224 nan 8.230 nan 0.000 0.459 100 L N 2.885 124.111 121.223 0.004 0.000 2.615 100 L HA 0.002 4.342 4.340 0.001 0.000 0.284 100 L C -1.769 175.115 176.870 0.023 0.000 1.237 100 L CA -1.198 53.654 54.840 0.021 0.000 0.905 100 L CB -0.218 41.852 42.059 0.018 0.000 1.149 100 L HN -0.105 nan 8.230 nan 0.000 0.499 101 P HA 0.121 nan 4.420 nan 0.000 0.271 101 P C -1.093 176.222 177.300 0.025 0.000 1.220 101 P CA -0.029 63.089 63.100 0.030 0.000 0.768 101 P CB 1.184 32.904 31.700 0.034 0.000 0.848 102 D N 3.634 124.048 120.400 0.024 0.000 2.804 102 D HA 0.197 4.837 4.640 0.001 0.000 0.209 102 D C -2.258 174.053 176.300 0.018 0.000 1.314 102 D CA -1.885 52.127 54.000 0.020 0.000 0.894 102 D CB 1.400 42.210 40.800 0.017 0.000 1.615 102 D HN -0.061 nan 8.370 nan 0.000 0.571 103 P HA -0.032 nan 4.420 nan 0.000 0.220 103 P C 0.705 178.010 177.300 0.008 0.000 1.144 103 P CA 1.125 64.232 63.100 0.011 0.000 0.800 103 P CB 0.321 32.028 31.700 0.011 0.000 0.772 104 A N -1.618 121.209 122.820 0.011 0.000 2.308 104 A HA 0.174 4.495 4.320 0.001 0.000 0.217 104 A C 1.116 178.708 177.584 0.014 0.000 1.216 104 A CA 0.175 52.219 52.037 0.012 0.000 0.864 104 A CB -0.363 18.644 19.000 0.013 0.000 0.902 104 A HN 0.158 nan 8.150 nan 0.000 0.499 105 S N 0.504 116.213 115.700 0.015 0.000 2.420 105 S HA 0.449 4.919 4.470 0.001 0.000 0.313 105 S C -1.787 172.825 174.600 0.020 0.000 1.079 105 S CA -1.604 56.606 58.200 0.016 0.000 1.104 105 S CB 0.953 64.162 63.200 0.016 0.000 0.969 105 S HN 0.075 nan 8.310 nan 0.000 0.471 106 P HA -0.137 nan 4.420 nan 0.000 0.214 106 P C 1.532 178.854 177.300 0.037 0.000 1.163 106 P CA 0.982 64.098 63.100 0.027 0.000 0.889 106 P CB 0.039 31.756 31.700 0.029 0.000 0.790 107 V N -0.036 119.896 119.914 0.030 0.000 2.358 107 V HA -0.231 3.890 4.120 0.001 0.000 0.246 107 V C 2.493 178.609 176.094 0.036 0.000 1.047 107 V CA 2.247 64.565 62.300 0.031 0.000 1.035 107 V CB -1.875 29.956 31.823 0.013 0.000 0.658 107 V HN 0.096 nan 8.190 nan 0.000 0.452 108 A N 1.033 123.870 122.820 0.029 0.000 1.898 108 A HA -0.207 4.113 4.320 0.001 0.000 0.216 108 A C 2.491 180.105 177.584 0.050 0.000 1.181 108 A CA 2.486 54.542 52.037 0.032 0.000 0.620 108 A CB -0.980 18.034 19.000 0.023 0.000 0.819 108 A HN 0.636 nan 8.150 nan 0.000 0.442 109 T N -2.530 112.055 114.554 0.051 0.000 2.857 109 T HA -0.123 4.227 4.350 0.001 0.000 0.266 109 T C 1.559 176.330 174.700 0.119 0.000 1.048 109 T CA 1.535 63.675 62.100 0.067 0.000 1.139 109 T CB -0.370 68.518 68.868 0.034 0.000 0.874 109 T HN 0.348 nan 8.240 nan 0.000 0.455 110 D N 1.826 122.298 120.400 0.121 0.000 2.149 110 D HA 0.116 4.757 4.640 0.001 0.000 0.201 110 D C 2.350 178.730 176.300 0.134 0.000 0.972 110 D CA 1.130 55.249 54.000 0.199 0.000 0.835 110 D CB -0.529 40.370 40.800 0.165 0.000 0.966 110 D HN 0.459 nan 8.370 nan 0.000 0.476 111 A N 0.377 123.247 122.820 0.084 0.000 1.883 111 A HA -0.185 4.135 4.320 0.001 0.000 0.217 111 A C 2.257 179.839 177.584 -0.004 0.000 1.186 111 A CA 1.881 53.958 52.037 0.066 0.000 0.624 111 A CB -0.566 18.485 19.000 0.085 0.000 0.822 111 A HN 0.150 nan 8.150 nan 0.000 0.444 112 R N -1.074 119.452 120.500 0.043 0.000 2.115 112 R HA -0.076 4.265 4.340 0.001 0.000 0.230 112 R C 1.693 178.013 176.300 0.035 0.000 1.111 112 R CA 1.649 57.769 56.100 0.032 0.000 0.976 112 R CB -0.936 29.410 30.300 0.076 0.000 0.870 112 R HN 0.517 nan 8.270 nan 0.000 0.445 113 F N 0.942 120.853 119.950 -0.064 0.000 2.163 113 F HA -0.045 4.483 4.527 0.002 0.000 0.297 113 F C 1.714 177.347 175.800 -0.278 0.000 1.094 113 F CA 1.554 59.542 58.000 -0.019 0.000 1.290 113 F CB -0.273 38.814 39.000 0.145 0.000 1.017 113 F HN 0.093 nan 8.300 nan 0.000 0.483 114 Q N -0.045 119.365 119.800 -0.649 0.000 2.230 114 Q HA -0.027 4.314 4.340 0.001 0.000 0.202 114 Q C 2.368 177.751 176.000 -1.029 0.000 0.963 114 Q CA 0.971 56.036 55.803 -1.231 0.000 0.866 114 Q CB -0.348 27.797 28.738 -0.989 0.000 0.931 114 Q HN 0.508 nan 8.270 nan 0.000 0.452 115 A N 1.348 123.714 122.820 -0.756 0.000 2.019 115 A HA 0.030 4.351 4.320 0.001 0.000 0.219 115 A C 1.260 178.582 177.584 -0.437 0.000 1.164 115 A CA 0.804 52.537 52.037 -0.507 0.000 0.644 115 A CB -0.588 18.269 19.000 -0.238 0.000 0.805 115 A HN 0.358 nan 8.150 nan 0.000 0.449 116 A N 0.423 122.912 122.820 -0.552 0.000 2.540 116 A HA 0.379 4.700 4.320 0.001 0.000 0.239 116 A C -0.562 176.618 177.584 -0.672 0.000 1.061 116 A CA -0.457 51.139 52.037 -0.736 0.000 0.758 116 A CB 0.055 18.224 19.000 -1.385 0.000 0.991 116 A HN 0.302 nan 8.150 nan 0.000 0.502 117 P HA -0.169 nan 4.420 nan 0.000 0.215 117 P C 1.450 178.704 177.300 -0.076 0.000 1.153 117 P CA 1.763 64.751 63.100 -0.187 0.000 0.853 117 P CB -0.268 31.385 31.700 -0.078 0.000 0.788 118 W N -0.472 120.871 121.300 0.072 0.000 2.465 118 W HA -0.104 4.556 4.660 -0.000 0.000 0.268 118 W C 1.938 178.444 176.519 -0.021 0.000 1.242 118 W CA 0.381 57.699 57.345 -0.044 0.000 1.248 118 W CB -2.159 27.271 29.460 -0.050 0.000 1.118 118 W HN 0.121 nan 8.180 nan 0.000 0.587 119 H N 0.022 119.035 119.070 -0.096 0.000 2.307 119 H HA -0.187 4.370 4.556 0.001 0.000 0.303 119 H C 2.118 177.558 175.328 0.187 0.000 1.073 119 H CA 2.020 58.089 56.048 0.035 0.000 1.338 119 H CB -1.140 28.360 29.762 -0.435 0.000 1.389 119 H HN 0.173 nan 8.280 nan 0.000 0.503 120 W N 2.317 123.718 121.300 0.169 0.000 2.338 120 W HA -0.185 4.475 4.660 -0.000 0.000 0.304 120 W C 2.583 179.199 176.519 0.161 0.000 1.212 120 W CA 1.435 58.898 57.345 0.197 0.000 1.264 120 W CB -0.278 29.208 29.460 0.043 0.000 1.142 120 W HN 0.226 nan 8.180 nan 0.000 0.512 121 R N 0.491 121.130 120.500 0.232 0.000 2.127 121 R HA -0.161 4.180 4.340 0.001 0.000 0.238 121 R C 2.436 178.693 176.300 -0.071 0.000 1.134 121 R CA 1.671 57.812 56.100 0.068 0.000 0.975 121 R CB -0.525 29.793 30.300 0.029 0.000 0.865 121 R HN 0.118 nan 8.270 nan 0.000 0.447 122 A N -0.067 122.672 122.820 -0.135 0.000 1.877 122 A HA -0.186 4.135 4.320 0.001 0.000 0.216 122 A C 1.702 179.122 177.584 -0.273 0.000 1.186 122 A CA 1.286 53.166 52.037 -0.261 0.000 0.620 122 A CB -0.952 17.881 19.000 -0.277 0.000 0.822 122 A HN 0.557 nan 8.150 nan 0.000 0.443 123 W N 0.118 121.300 121.300 -0.197 0.000 2.421 123 W HA -0.054 4.607 4.660 0.000 0.000 0.270 123 W C 2.152 178.523 176.519 -0.246 0.000 1.233 123 W CA 1.044 58.240 57.345 -0.247 0.000 1.226 123 W CB -0.013 29.213 29.460 -0.390 0.000 1.121 123 W HN 0.575 nan 8.180 nan 0.000 0.579 124 E N 0.190 120.362 120.200 -0.047 0.000 2.160 124 E HA -0.239 4.112 4.350 0.001 0.000 0.195 124 E C 1.393 177.981 176.600 -0.019 0.000 0.991 124 E CA 1.067 57.443 56.400 -0.040 0.000 0.810 124 E CB 0.013 29.705 29.700 -0.013 0.000 0.742 124 E HN 0.142 nan 8.360 nan 0.000 0.466 125 Q N 0.360 120.132 119.800 -0.047 0.000 2.189 125 Q HA 0.058 4.399 4.340 0.001 0.000 0.221 125 Q C 1.457 177.450 176.000 -0.012 0.000 0.848 125 Q CA -0.175 55.610 55.803 -0.029 0.000 1.007 125 Q CB 0.643 29.338 28.738 -0.072 0.000 1.116 125 Q HN 0.279 nan 8.270 nan 0.000 0.481 126 L N 0.750 121.958 121.223 -0.025 0.000 2.089 126 L HA -0.206 4.135 4.340 0.001 0.000 0.213 126 L C 1.721 178.593 176.870 0.003 0.000 1.079 126 L CA 2.097 56.917 54.840 -0.033 0.000 0.758 126 L CB -0.853 41.244 42.059 0.063 0.000 0.891 126 L HN 0.121 nan 8.230 nan 0.000 0.433 127 T N -1.281 113.290 114.554 0.029 0.000 2.759 127 T HA -0.265 4.086 4.350 0.001 0.000 0.269 127 T C 1.807 176.526 174.700 0.032 0.000 1.042 127 T CA 1.580 63.697 62.100 0.029 0.000 1.140 127 T CB -0.539 68.350 68.868 0.034 0.000 0.864 127 T HN 0.594 nan 8.240 nan 0.000 0.455 128 H N 0.776 119.824 119.070 -0.037 0.000 2.353 128 H HA -0.035 4.522 4.556 0.001 0.000 0.300 128 H C 2.390 177.691 175.328 -0.045 0.000 1.090 128 H CA 1.659 57.684 56.048 -0.038 0.000 1.327 128 H CB -0.103 29.633 29.762 -0.044 0.000 1.383 128 H HN 0.257 nan 8.280 nan 0.000 0.508 129 S N -0.067 115.607 115.700 -0.044 0.000 2.353 129 S HA -0.125 4.346 4.470 0.001 0.000 0.222 129 S C 2.430 176.956 174.600 -0.124 0.000 1.035 129 S CA 1.260 59.396 58.200 -0.106 0.000 1.025 129 S CB -0.374 62.770 63.200 -0.093 0.000 0.902 129 S HN 0.249 nan 8.310 nan 0.000 0.440 130 V N 1.683 121.548 119.914 -0.081 0.000 2.568 130 V HA -0.152 3.969 4.120 0.001 0.000 0.253 130 V C 2.288 178.335 176.094 -0.078 0.000 1.072 130 V CA 1.593 63.857 62.300 -0.061 0.000 1.084 130 V CB -0.649 31.156 31.823 -0.029 0.000 0.676 130 V HN 0.364 nan 8.190 nan 0.000 0.469 131 R N -0.052 120.379 120.500 -0.115 0.000 2.161 131 R HA -0.024 4.316 4.340 0.001 0.000 0.213 131 R C 2.151 178.361 176.300 -0.151 0.000 1.055 131 R CA 1.550 57.580 56.100 -0.117 0.000 0.996 131 R CB -0.072 30.161 30.300 -0.111 0.000 0.901 131 R HN 0.717 nan 8.270 nan 0.000 0.456 132 T N -5.459 108.959 114.554 -0.226 0.000 2.958 132 T HA 0.216 4.567 4.350 0.001 0.000 0.256 132 T C 1.328 175.949 174.700 -0.133 0.000 0.983 132 T CA 0.472 62.445 62.100 -0.211 0.000 0.924 132 T CB 1.204 69.848 68.868 -0.373 0.000 1.136 132 T HN 0.256 nan 8.240 nan 0.000 0.506 133 G N 1.241 109.969 108.800 -0.120 0.000 2.184 133 G HA2 -0.236 3.724 3.960 0.001 0.000 0.264 133 G HA3 -0.236 3.724 3.960 0.001 0.000 0.264 133 G C -0.179 174.687 174.900 -0.056 0.000 0.975 133 G CA 0.424 45.482 45.100 -0.069 0.000 0.642 133 G HN 0.689 nan 8.290 nan 0.000 0.536 134 E N -0.013 120.141 120.200 -0.078 0.000 2.232 134 E HA 0.687 5.037 4.350 0.001 0.000 0.265 134 E C 0.669 177.270 176.600 0.002 0.000 1.001 134 E CA -0.311 56.080 56.400 -0.016 0.000 0.870 134 E CB 1.210 30.930 29.700 0.033 0.000 1.175 134 E HN 0.650 nan 8.360 nan 0.000 0.407 135 A N 0.936 123.760 122.820 0.008 0.000 2.520 135 A HA 0.067 4.388 4.320 0.001 0.000 0.245 135 A C 0.998 178.617 177.584 0.057 0.000 1.072 135 A CA 0.251 52.273 52.037 -0.024 0.000 0.761 135 A CB 0.031 18.993 19.000 -0.063 0.000 1.004 135 A HN 0.669 nan 8.150 nan 0.000 0.499 136 S N 2.263 117.967 115.700 0.006 0.000 2.496 136 S HA -0.100 4.371 4.470 0.001 0.000 0.224 136 S C 1.494 176.062 174.600 -0.054 0.000 0.996 136 S CA 0.863 59.066 58.200 0.005 0.000 0.927 136 S CB -0.596 62.564 63.200 -0.066 0.000 0.774 136 S HN 0.722 nan 8.310 nan 0.000 0.524 137 F N 3.567 123.411 119.950 -0.177 0.000 2.154 137 F HA -0.194 4.335 4.527 0.003 0.000 0.301 137 F C 1.772 177.513 175.800 -0.099 0.000 1.087 137 F CA 2.012 59.927 58.000 -0.142 0.000 1.274 137 F CB -0.207 38.695 39.000 -0.162 0.000 1.009 137 F HN 0.191 nan 8.300 nan 0.000 0.485 138 D N -0.024 120.462 120.400 0.143 0.000 2.117 138 D HA -0.154 4.487 4.640 0.001 0.000 0.198 138 D C 2.394 178.667 176.300 -0.045 0.000 0.982 138 D CA 1.971 56.020 54.000 0.081 0.000 0.828 138 D CB -0.902 39.931 40.800 0.055 0.000 0.967 138 D HN 0.419 nan 8.370 nan 0.000 0.464 139 V N -0.823 119.004 119.914 -0.146 0.000 2.788 139 V HA 0.173 4.293 4.120 0.001 0.000 0.251 139 V C 2.351 178.338 176.094 -0.178 0.000 1.068 139 V CA 1.156 63.328 62.300 -0.214 0.000 1.090 139 V CB -0.638 30.919 31.823 -0.443 0.000 0.710 139 V HN 0.099 nan 8.190 nan 0.000 0.467 140 A N 1.134 123.839 122.820 -0.192 0.000 1.897 140 A HA -0.049 4.272 4.320 0.001 0.000 0.215 140 A C 1.974 179.453 177.584 -0.174 0.000 1.181 140 A CA 1.845 53.775 52.037 -0.179 0.000 0.620 140 A CB -0.576 18.295 19.000 -0.214 0.000 0.821 140 A HN 0.593 nan 8.150 nan 0.000 0.443 141 N N -1.264 117.293 118.700 -0.239 0.000 2.205 141 N HA 0.166 4.907 4.740 0.001 0.000 0.201 141 N C 0.979 176.437 175.510 -0.086 0.000 1.128 141 N CA 0.876 53.802 53.050 -0.207 0.000 0.867 141 N CB 0.652 38.865 38.487 -0.458 0.000 0.996 141 N HN 0.582 nan 8.380 nan 0.000 0.503 142 G N 0.867 109.629 108.800 -0.063 0.000 2.198 142 G HA2 -0.248 3.712 3.960 0.001 0.000 0.260 142 G HA3 -0.248 3.712 3.960 0.001 0.000 0.260 142 G C 0.050 174.955 174.900 0.008 0.000 1.025 142 G CA 1.166 46.251 45.100 -0.025 0.000 0.769 142 G HN 0.528 nan 8.290 nan 0.000 0.507 143 T N -1.362 113.221 114.554 0.048 0.000 3.033 143 T HA 0.551 4.902 4.350 0.001 0.000 0.362 143 T C 0.264 175.067 174.700 0.172 0.000 1.723 143 T CA 0.864 63.011 62.100 0.078 0.000 1.110 143 T CB 0.741 69.638 68.868 0.049 0.000 1.515 143 T HN 1.681 nan 8.240 nan 0.000 0.484 144 S N 2.694 118.447 115.700 0.088 0.000 2.576 144 S HA 0.274 4.745 4.470 0.001 0.000 0.272 144 S C 1.246 175.745 174.600 -0.168 0.000 1.352 144 S CA -0.259 57.955 58.200 0.023 0.000 1.021 144 S CB 0.213 63.421 63.200 0.013 0.000 0.887 144 S HN 0.683 nan 8.310 nan 0.000 0.542 145 F N 1.367 120.831 119.950 -0.810 0.000 2.171 145 F HA 0.030 4.557 4.527 0.000 0.000 0.300 145 F C 1.550 176.862 175.800 -0.812 0.000 1.090 145 F CA 1.168 58.366 58.000 -1.337 0.000 1.293 145 F CB -0.375 37.585 39.000 -1.734 0.000 1.013 145 F HN 0.731 nan 8.300 nan 0.000 0.486 146 W N -0.004 121.094 121.300 -0.336 0.000 2.418 146 W HA -0.122 4.539 4.660 0.002 0.000 0.292 146 W C 2.584 178.958 176.519 -0.243 0.000 1.213 146 W CA 0.664 57.828 57.345 -0.301 0.000 1.283 146 W CB -0.668 28.722 29.460 -0.116 0.000 1.119 146 W HN 0.044 nan 8.180 nan 0.000 0.542 147 Q N 1.101 120.911 119.800 0.017 0.000 2.050 147 Q HA -0.224 4.117 4.340 0.001 0.000 0.202 147 Q C 2.080 178.055 176.000 -0.042 0.000 0.980 147 Q CA 1.827 57.640 55.803 0.016 0.000 0.840 147 Q CB -0.753 27.994 28.738 0.015 0.000 0.898 147 Q HN 0.319 nan 8.270 nan 0.000 0.424 148 L N 0.149 121.259 121.223 -0.189 0.000 2.046 148 L HA -0.105 4.236 4.340 0.001 0.000 0.208 148 L C 2.095 178.767 176.870 -0.329 0.000 1.077 148 L CA 2.515 57.190 54.840 -0.275 0.000 0.747 148 L CB -1.021 40.810 42.059 -0.380 0.000 0.896 148 L HN 0.512 nan 8.230 nan 0.000 0.432 149 T N -4.401 109.884 114.554 -0.448 0.000 3.113 149 T HA -0.161 4.190 4.350 0.001 0.000 0.263 149 T C 1.710 176.363 174.700 -0.079 0.000 1.143 149 T CA 1.195 63.097 62.100 -0.330 0.000 1.090 149 T CB -0.680 67.902 68.868 -0.476 0.000 0.922 149 T HN 0.614 nan 8.240 nan 0.000 0.521 150 H N 1.178 120.176 119.070 -0.120 0.000 2.431 150 H HA 0.235 4.791 4.556 0.001 0.000 0.295 150 H C 2.011 177.310 175.328 -0.049 0.000 1.038 150 H CA 1.195 57.211 56.048 -0.053 0.000 1.360 150 H CB 0.150 29.892 29.762 -0.033 0.000 1.433 150 H HN 0.468 nan 8.280 nan 0.000 0.536 151 E N -0.766 119.338 120.200 -0.161 0.000 2.276 151 E HA -0.016 4.334 4.350 0.001 0.000 0.193 151 E C -0.127 176.393 176.600 -0.133 0.000 0.983 151 E CA 0.345 56.637 56.400 -0.181 0.000 0.861 151 E CB 0.578 30.235 29.700 -0.072 0.000 0.817 151 E HN 0.284 nan 8.360 nan 0.000 0.485 152 D N 0.601 120.932 120.400 -0.116 0.000 2.472 152 D HA 0.119 4.760 4.640 0.001 0.000 0.234 152 D C -2.054 174.227 176.300 -0.033 0.000 1.088 152 D CA -2.596 51.362 54.000 -0.069 0.000 0.882 152 D CB 1.471 42.216 40.800 -0.091 0.000 1.037 152 D HN -0.236 nan 8.370 nan 0.000 0.520 153 P HA -0.168 nan 4.420 nan 0.000 0.217 153 P C 1.157 178.497 177.300 0.067 0.000 1.148 153 P CA 1.065 64.175 63.100 0.017 0.000 0.828 153 P CB 0.476 32.183 31.700 0.012 0.000 0.783 154 K N 0.318 120.774 120.400 0.094 0.000 2.031 154 K HA 0.022 4.342 4.320 0.001 0.000 0.205 154 K C 1.973 178.724 176.600 0.250 0.000 1.049 154 K CA 1.606 57.988 56.287 0.158 0.000 0.939 154 K CB -1.278 31.325 32.500 0.171 0.000 0.717 154 K HN -0.065 nan 8.250 nan 0.000 0.438 155 A N 1.014 123.986 122.820 0.253 0.000 1.902 155 A HA -0.174 4.146 4.320 0.001 0.000 0.217 155 A C 2.256 179.986 177.584 0.242 0.000 1.181 155 A CA 1.915 54.155 52.037 0.338 0.000 0.623 155 A CB -0.634 18.279 19.000 -0.145 0.000 0.818 155 A HN 0.431 nan 8.150 nan 0.000 0.443 156 R N 0.026 120.588 120.500 0.103 0.000 2.081 156 R HA -0.200 4.141 4.340 0.001 0.000 0.235 156 R C 2.175 178.593 176.300 0.197 0.000 1.131 156 R CA 1.941 58.115 56.100 0.124 0.000 0.960 156 R CB -0.329 30.010 30.300 0.065 0.000 0.856 156 R HN 0.720 nan 8.270 nan 0.000 0.436 157 E N 0.376 120.676 120.200 0.168 0.000 2.072 157 E HA -0.185 4.166 4.350 0.001 0.000 0.191 157 E C 2.024 178.723 176.600 0.165 0.000 0.985 157 E CA 1.125 57.610 56.400 0.142 0.000 0.801 157 E CB -0.091 29.680 29.700 0.118 0.000 0.750 157 E HN 0.444 nan 8.360 nan 0.000 0.452 158 L N 0.134 121.520 121.223 0.272 0.000 2.017 158 L HA -0.137 4.204 4.340 0.001 0.000 0.208 158 L C 2.538 179.511 176.870 0.170 0.000 1.073 158 L CA 1.322 56.359 54.840 0.329 0.000 0.745 158 L CB -0.533 41.877 42.059 0.586 0.000 0.894 158 L HN 0.246 nan 8.230 nan 0.000 0.432 159 F N 1.260 121.209 119.950 -0.001 0.000 2.102 159 F HA -0.197 4.331 4.527 0.002 0.000 0.298 159 F C 2.372 178.074 175.800 -0.164 0.000 1.105 159 F CA 1.600 59.376 58.000 -0.373 0.000 1.239 159 F CB -0.385 38.575 39.000 -0.067 0.000 0.991 159 F HN 0.067 nan 8.300 nan 0.000 0.474 160 N N 0.734 119.321 118.700 -0.188 0.000 2.104 160 N HA -0.153 4.588 4.740 0.001 0.000 0.190 160 N C 2.009 177.393 175.510 -0.210 0.000 1.024 160 N CA 1.433 54.337 53.050 -0.244 0.000 0.853 160 N CB -0.464 38.021 38.487 -0.003 0.000 1.008 160 N HN 0.366 nan 8.380 nan 0.000 0.424 161 R N 0.632 121.067 120.500 -0.109 0.000 2.081 161 R HA 0.070 4.411 4.340 0.001 0.000 0.235 161 R C 1.100 177.335 176.300 -0.107 0.000 1.131 161 R CA 0.873 56.932 56.100 -0.067 0.000 0.960 161 R CB -0.241 30.060 30.300 0.002 0.000 0.856 161 R HN 0.160 nan 8.270 nan 0.000 0.436 165 S N 0.763 116.443 115.700 -0.033 0.000 2.395 165 S HA 0.076 4.547 4.470 0.001 0.000 0.225 165 S C 2.175 176.780 174.600 0.009 0.000 1.027 165 S CA 1.354 59.550 58.200 -0.007 0.000 0.965 165 S CB -0.280 62.919 63.200 -0.003 0.000 0.812 165 S HN 0.193 nan 8.310 nan 0.000 0.482 166 V N 2.097 122.014 119.914 0.006 0.000 2.295 166 V HA -0.156 3.965 4.120 0.001 0.000 0.246 166 V C 3.000 179.130 176.094 0.060 0.000 1.049 166 V CA 2.069 64.389 62.300 0.033 0.000 1.024 166 V CB -1.086 30.749 31.823 0.019 0.000 0.648 166 V HN 0.654 nan 8.190 nan 0.000 0.447 167 S N -0.572 115.160 115.700 0.053 0.000 2.370 167 S HA -0.188 4.283 4.470 0.001 0.000 0.226 167 S C 1.968 176.595 174.600 0.045 0.000 1.033 167 S CA 1.786 60.025 58.200 0.065 0.000 1.011 167 S CB -0.362 62.866 63.200 0.046 0.000 0.852 167 S HN 0.483 nan 8.310 nan 0.000 0.457 168 L N 0.418 121.659 121.223 0.030 0.000 2.012 168 L HA -0.102 4.239 4.340 0.001 0.000 0.210 168 L C 2.901 179.790 176.870 0.031 0.000 1.073 168 L CA 1.886 56.740 54.840 0.025 0.000 0.748 168 L CB -0.793 41.277 42.059 0.017 0.000 0.891 168 L HN 0.385 nan 8.230 nan 0.000 0.431 169 T N -1.468 113.108 114.554 0.036 0.000 3.055 169 T HA -0.115 4.236 4.350 0.001 0.000 0.265 169 T C 1.575 176.305 174.700 0.050 0.000 1.111 169 T CA 1.038 63.163 62.100 0.040 0.000 1.118 169 T CB 0.021 68.913 68.868 0.039 0.000 0.909 169 T HN 0.350 nan 8.240 nan 0.000 0.501 170 E N -0.131 120.105 120.200 0.059 0.000 2.276 170 E HA 0.240 4.591 4.350 0.001 0.000 0.193 170 E C 2.422 179.053 176.600 0.052 0.000 0.983 170 E CA 0.509 56.947 56.400 0.064 0.000 0.861 170 E CB -0.040 29.711 29.700 0.085 0.000 0.817 170 E HN 0.523 nan 8.360 nan 0.000 0.485 171 A N 1.059 123.905 122.820 0.044 0.000 1.865 171 A HA -0.140 4.181 4.320 0.001 0.000 0.217 171 A C 2.393 180.007 177.584 0.050 0.000 1.191 171 A CA 1.838 53.897 52.037 0.037 0.000 0.623 171 A CB -1.296 17.718 19.000 0.024 0.000 0.826 171 A HN 0.368 nan 8.150 nan 0.000 0.444 172 G N -1.065 107.764 108.800 0.048 0.000 2.448 172 G HA2 -0.189 3.772 3.960 0.001 0.000 0.219 172 G HA3 -0.189 3.772 3.960 0.001 0.000 0.219 172 G C 1.573 176.518 174.900 0.075 0.000 1.127 172 G CA 1.010 46.143 45.100 0.055 0.000 0.766 172 G HN 0.686 nan 8.290 nan 0.000 0.552 173 Q N -0.343 119.501 119.800 0.073 0.000 2.212 173 Q HA 0.072 4.413 4.340 0.001 0.000 0.199 173 Q C 2.717 178.782 176.000 0.110 0.000 0.950 173 Q CA 0.702 56.553 55.803 0.081 0.000 0.863 173 Q CB 0.007 28.784 28.738 0.064 0.000 0.944 173 Q HN 0.385 nan 8.270 nan 0.000 0.465 174 V N 1.136 121.119 119.914 0.115 0.000 2.453 174 V HA -0.180 3.941 4.120 0.001 0.000 0.247 174 V C 2.193 178.465 176.094 0.298 0.000 1.048 174 V CA 1.677 64.074 62.300 0.162 0.000 1.049 174 V CB -0.723 31.172 31.823 0.119 0.000 0.672 174 V HN 0.348 nan 8.190 nan 0.000 0.457 175 A N -0.363 122.617 122.820 0.267 0.000 2.172 175 A HA 0.125 4.446 4.320 0.001 0.000 0.216 175 A C 2.118 179.956 177.584 0.422 0.000 1.154 175 A CA 1.636 53.908 52.037 0.392 0.000 0.701 175 A CB -0.328 18.805 19.000 0.222 0.000 0.789 175 A HN 0.570 nan 8.150 nan 0.000 0.465 176 A N -1.642 121.338 122.820 0.266 0.000 2.343 176 A HA 0.621 4.942 4.320 0.001 0.000 0.223 176 A C 1.850 179.539 177.584 0.175 0.000 1.214 176 A CA 0.911 53.064 52.037 0.193 0.000 0.900 176 A CB -0.130 18.937 19.000 0.113 0.000 0.942 176 A HN 0.821 nan 8.150 nan 0.000 0.507 177 A N -1.906 121.034 122.820 0.200 0.000 2.220 177 A HA 0.472 4.793 4.320 0.001 0.000 0.211 177 A C 0.146 177.835 177.584 0.175 0.000 1.176 177 A CA 0.266 52.395 52.037 0.152 0.000 0.834 177 A CB -0.076 19.000 19.000 0.127 0.000 0.868 177 A HN 0.476 nan 8.150 nan 0.000 0.488 178 Y N -0.010 120.318 120.300 0.047 0.000 2.386 178 Y HA 0.432 4.983 4.550 0.001 0.000 0.334 178 Y C -1.266 174.524 175.900 -0.183 0.000 1.002 178 Y CA -1.616 56.386 58.100 -0.163 0.000 1.068 178 Y CB 1.377 39.599 38.460 -0.396 0.000 1.203 178 Y HN 0.104 nan 8.280 nan 0.000 0.443 179 D N 5.204 125.207 120.400 -0.662 0.000 2.359 179 D HA 0.059 4.700 4.640 0.001 0.000 0.250 179 D C -0.001 175.933 176.300 -0.610 0.000 1.264 179 D CA 0.426 54.228 54.000 -0.330 0.000 0.911 179 D CB 0.145 40.795 40.800 -0.250 0.000 1.056 179 D HN 0.565 nan 8.370 nan 0.000 0.499 180 F N 1.065 120.617 119.950 -0.664 0.000 2.789 180 F HA 0.005 4.533 4.527 0.001 0.000 0.300 180 F C 1.588 177.098 175.800 -0.484 0.000 1.132 180 F CA -0.271 57.211 58.000 -0.862 0.000 1.404 180 F CB 0.002 38.044 39.000 -1.596 0.000 1.114 180 F HN 0.197 nan 8.300 nan 0.000 0.584 181 S N 0.080 115.831 115.700 0.086 0.000 2.488 181 S HA 0.500 4.971 4.470 0.001 0.000 0.278 181 S C 1.050 175.689 174.600 0.064 0.000 1.259 181 S CA 0.134 58.470 58.200 0.227 0.000 1.061 181 S CB 0.923 64.310 63.200 0.312 0.000 0.910 181 S HN 0.629 nan 8.310 nan 0.000 0.491 182 G N 1.685 110.517 108.800 0.053 0.000 2.255 182 G HA2 0.119 4.080 3.960 0.001 0.000 0.196 182 G HA3 0.119 4.080 3.960 0.001 0.000 0.196 182 G C 0.084 174.992 174.900 0.013 0.000 0.998 182 G CA -0.267 44.844 45.100 0.017 0.000 0.656 182 G HN 1.577 nan 8.290 nan 0.000 0.490 183 A N 0.252 123.084 122.820 0.020 0.000 2.292 183 A HA 0.921 5.242 4.320 0.001 0.000 0.319 183 A C 1.089 178.685 177.584 0.020 0.000 1.206 183 A CA 0.750 52.799 52.037 0.020 0.000 0.835 183 A CB 1.458 20.483 19.000 0.042 0.000 1.164 183 A HN 1.553 nan 8.150 nan 0.000 0.505 184 A N 2.011 124.834 122.820 0.005 0.000 1.997 184 A HA 0.389 4.710 4.320 0.001 0.000 0.212 184 A C 1.117 178.690 177.584 -0.017 0.000 1.178 184 A CA 1.605 53.643 52.037 0.002 0.000 0.698 184 A CB -0.147 18.852 19.000 -0.001 0.000 0.842 184 A HN 1.268 nan 8.150 nan 0.000 0.458 185 T N -2.688 111.843 114.554 -0.040 0.000 2.916 185 T HA 0.725 5.076 4.350 0.001 0.000 0.298 185 T C -0.750 173.879 174.700 -0.118 0.000 1.031 185 T CA -0.023 62.032 62.100 -0.076 0.000 0.993 185 T CB 1.670 70.485 68.868 -0.089 0.000 1.045 185 T HN 0.890 nan 8.240 nan 0.000 0.454 186 A N 2.319 125.061 122.820 -0.130 0.000 2.356 186 A HA 0.777 5.098 4.320 0.001 0.000 0.310 186 A C -0.680 176.790 177.584 -0.191 0.000 1.075 186 A CA -0.818 51.122 52.037 -0.163 0.000 0.746 186 A CB 1.564 20.502 19.000 -0.103 0.000 1.221 186 A HN 0.857 nan 8.150 nan 0.000 0.443 187 V N 2.346 122.092 119.914 -0.281 0.000 2.398 187 V HA 0.348 4.469 4.120 0.001 0.000 0.286 187 V C -0.723 175.342 176.094 -0.049 0.000 1.026 187 V CA -0.443 61.755 62.300 -0.172 0.000 0.868 187 V CB 1.695 33.385 31.823 -0.220 0.000 0.982 187 V HN 0.913 nan 8.190 nan 0.000 0.443 188 D N 4.499 124.894 120.400 -0.009 0.000 2.373 188 D HA 0.395 5.035 4.640 0.001 0.000 0.227 188 D C -0.262 176.076 176.300 0.062 0.000 1.091 188 D CA -0.284 53.727 54.000 0.020 0.000 0.840 188 D CB 0.930 41.731 40.800 0.002 0.000 1.060 188 D HN 0.421 nan 8.370 nan 0.000 0.502 189 I N 3.089 123.701 120.570 0.070 0.000 2.322 189 I HA 0.278 4.448 4.170 0.001 0.000 0.292 189 I C 1.378 177.579 176.117 0.140 0.000 1.060 189 I CA -0.398 60.960 61.300 0.096 0.000 1.309 189 I CB 0.920 38.914 38.000 -0.009 0.000 1.415 189 I HN 0.655 nan 8.210 nan 0.000 0.492 190 G N 4.532 113.490 108.800 0.263 0.000 2.333 190 G HA2 -0.219 3.742 3.960 0.001 0.000 0.296 190 G HA3 -0.219 3.742 3.960 0.001 0.000 0.296 190 G C 0.747 175.762 174.900 0.192 0.000 1.059 190 G CA 0.172 45.456 45.100 0.306 0.000 1.050 190 G HN 1.025 nan 8.290 nan 0.000 0.508 191 G N -0.480 108.396 108.800 0.127 0.000 3.210 191 G HA2 0.531 4.492 3.960 0.001 0.000 0.220 191 G HA3 0.531 4.492 3.960 0.001 0.000 0.220 191 G C 1.673 176.624 174.900 0.086 0.000 1.200 191 G CA 1.306 46.458 45.100 0.087 0.000 0.834 191 G HN 2.001 nan 8.290 nan 0.000 0.524 192 G N 1.144 110.014 108.800 0.117 0.000 2.629 192 G HA2 -0.391 3.569 3.960 0.001 0.000 0.313 192 G HA3 -0.391 3.569 3.960 0.001 0.000 0.313 192 G C 1.057 175.997 174.900 0.066 0.000 1.217 192 G CA 0.542 45.704 45.100 0.103 0.000 0.994 192 G HN 0.528 nan 8.290 nan 0.000 0.549 193 R N 1.830 122.354 120.500 0.040 0.000 2.359 193 R HA 0.417 4.757 4.340 0.001 0.000 0.231 193 R C 1.711 178.024 176.300 0.022 0.000 0.913 193 R CA 0.908 57.025 56.100 0.028 0.000 1.075 193 R CB 0.076 30.384 30.300 0.014 0.000 1.087 193 R HN 1.915 nan 8.270 nan 0.000 0.515 194 G N 1.110 109.924 108.800 0.024 0.000 2.147 194 G HA2 -0.317 3.644 3.960 0.001 0.000 0.244 194 G HA3 -0.317 3.644 3.960 0.001 0.000 0.244 194 G C 0.830 175.733 174.900 0.004 0.000 1.005 194 G CA 0.597 45.705 45.100 0.013 0.000 0.713 194 G HN 0.461 nan 8.290 nan 0.000 0.515 195 S N -1.474 114.230 115.700 0.008 0.000 2.436 195 S HA 0.375 4.845 4.470 0.001 0.000 0.228 195 S C 1.487 176.087 174.600 -0.000 0.000 1.014 195 S CA 0.961 59.164 58.200 0.005 0.000 0.950 195 S CB 0.275 63.481 63.200 0.011 0.000 0.784 195 S HN 1.269 nan 8.310 nan 0.000 0.504 199 A N 0.170 122.977 122.820 -0.022 0.000 1.968 199 A HA 0.276 4.597 4.320 0.001 0.000 0.217 199 A C 1.958 179.539 177.584 -0.006 0.000 1.169 199 A CA 2.021 54.054 52.037 -0.006 0.000 0.638 199 A CB -0.557 18.448 19.000 0.009 0.000 0.812 199 A HN 0.761 nan 8.150 nan 0.000 0.446 200 V N 0.043 119.914 119.914 -0.072 0.000 2.346 200 V HA -0.173 3.947 4.120 0.001 0.000 0.244 200 V C 2.519 178.613 176.094 0.000 0.000 1.037 200 V CA 1.552 63.765 62.300 -0.145 0.000 1.029 200 V CB -0.792 30.690 31.823 -0.568 0.000 0.663 200 V HN 0.542 nan 8.190 nan 0.000 0.454 201 L N -0.003 121.193 121.223 -0.045 0.000 1.990 201 L HA -0.246 4.095 4.340 0.001 0.000 0.213 201 L C 2.475 179.368 176.870 0.038 0.000 1.072 201 L CA 1.903 56.746 54.840 0.005 0.000 0.755 201 L CB -0.908 41.140 42.059 -0.019 0.000 0.889 201 L HN 0.326 nan 8.230 nan 0.000 0.432 202 D N 0.224 120.630 120.400 0.011 0.000 2.149 202 D HA -0.211 4.430 4.640 0.001 0.000 0.194 202 D C 2.005 178.285 176.300 -0.033 0.000 1.001 202 D CA 1.778 55.775 54.000 -0.006 0.000 0.849 202 D CB -0.080 40.713 40.800 -0.012 0.000 0.939 202 D HN 0.387 nan 8.370 nan 0.000 0.449 203 A N -1.002 121.796 122.820 -0.036 0.000 2.251 203 A HA 0.123 4.443 4.320 0.001 0.000 0.209 203 A C 0.140 177.379 177.584 -0.576 0.000 1.187 203 A CA 0.048 51.938 52.037 -0.244 0.000 0.823 203 A CB -0.102 18.765 19.000 -0.223 0.000 0.846 203 A HN 0.118 nan 8.150 nan 0.000 0.486 204 F N -1.197 118.744 119.950 -0.016 0.000 2.931 204 F HA 0.336 4.864 4.527 0.001 0.000 0.375 204 F C -2.187 173.608 175.800 -0.009 0.000 1.243 204 F CA -1.710 56.294 58.000 0.006 0.000 1.206 204 F CB 1.688 40.705 39.000 0.028 0.000 1.643 204 F HN -0.037 nan 8.300 nan 0.000 0.593 205 P HA -0.095 nan 4.420 nan 0.000 0.221 205 P C 1.655 178.993 177.300 0.062 0.000 1.145 205 P CA 1.127 64.257 63.100 0.050 0.000 0.795 205 P CB 0.345 32.055 31.700 0.017 0.000 0.775 206 G N -1.344 107.511 108.800 0.092 0.000 2.880 206 G HA2 0.037 3.998 3.960 0.001 0.000 0.209 206 G HA3 0.037 3.998 3.960 0.001 0.000 0.209 206 G C 0.326 175.265 174.900 0.066 0.000 1.157 206 G CA -0.093 45.050 45.100 0.072 0.000 0.779 206 G HN 0.195 nan 8.290 nan 0.000 0.539 207 L N 1.161 122.434 121.223 0.084 0.000 2.426 207 L HA 0.421 4.762 4.340 0.001 0.000 0.271 207 L C 0.396 177.271 176.870 0.008 0.000 1.169 207 L CA -0.249 54.614 54.840 0.039 0.000 0.836 207 L CB 0.644 42.716 42.059 0.022 0.000 1.112 207 L HN 0.008 nan 8.230 nan 0.000 0.465 208 R N 2.533 123.026 120.500 -0.012 0.000 2.532 208 R HA 0.717 5.058 4.340 0.001 0.000 0.295 208 R C -0.443 175.830 176.300 -0.046 0.000 0.968 208 R CA -0.494 55.593 56.100 -0.022 0.000 0.916 208 R CB 1.677 31.966 30.300 -0.020 0.000 1.124 208 R HN 0.877 nan 8.270 nan 0.000 0.463 209 G N 0.301 109.074 108.800 -0.046 0.000 2.533 209 G HA2 0.534 4.495 3.960 0.001 0.000 0.304 209 G HA3 0.534 4.495 3.960 0.001 0.000 0.304 209 G C -1.132 173.740 174.900 -0.048 0.000 1.263 209 G CA -0.294 44.769 45.100 -0.061 0.000 0.964 209 G HN 0.399 nan 8.290 nan 0.000 0.479 210 T N 0.719 115.241 114.554 -0.053 0.000 2.921 210 T HA 0.460 4.811 4.350 0.001 0.000 0.297 210 T C -0.852 173.839 174.700 -0.015 0.000 1.013 210 T CA -0.312 61.770 62.100 -0.030 0.000 0.990 210 T CB 1.648 70.498 68.868 -0.029 0.000 1.023 210 T HN 0.450 nan 8.240 nan 0.000 0.447 211 L N 4.150 125.374 121.223 0.002 0.000 2.296 211 L HA 0.733 5.074 4.340 0.001 0.000 0.286 211 L C -1.221 175.671 176.870 0.037 0.000 1.023 211 L CA -1.014 53.837 54.840 0.019 0.000 0.812 211 L CB 1.002 43.071 42.059 0.017 0.000 1.223 211 L HN 0.506 nan 8.230 nan 0.000 0.421 212 L N 5.268 126.527 121.223 0.060 0.000 2.296 212 L HA 0.659 5.000 4.340 0.001 0.000 0.286 212 L C -0.809 176.113 176.870 0.087 0.000 1.023 212 L CA 0.415 55.300 54.840 0.075 0.000 0.812 212 L CB 1.067 43.190 42.059 0.107 0.000 1.223 212 L HN 0.617 nan 8.230 nan 0.000 0.421 213 E N 3.187 123.418 120.200 0.051 0.000 2.423 213 E HA 0.366 4.717 4.350 0.001 0.000 0.280 213 E C -1.091 175.507 176.600 -0.003 0.000 1.030 213 E CA -0.853 55.571 56.400 0.040 0.000 0.812 213 E CB 1.945 31.682 29.700 0.062 0.000 1.313 213 E HN 0.583 nan 8.360 nan 0.000 0.456 214 R N 1.480 121.966 120.500 -0.024 0.000 2.623 214 R HA 0.065 4.406 4.340 0.001 0.000 0.271 214 R C -1.572 174.744 176.300 0.027 0.000 1.043 214 R CA -1.035 55.050 56.100 -0.024 0.000 1.083 214 R CB -0.111 30.176 30.300 -0.022 0.000 0.974 214 R HN 0.156 nan 8.270 nan 0.000 0.436 215 P HA -0.180 nan 4.420 nan 0.000 0.215 215 P C -1.497 175.833 177.300 0.050 0.000 1.163 215 P CA 1.728 64.854 63.100 0.042 0.000 0.894 215 P CB -0.625 31.107 31.700 0.053 0.000 0.791 216 P HA -0.083 nan 4.420 nan 0.000 0.217 216 P C 1.505 178.839 177.300 0.057 0.000 1.150 216 P CA 1.079 64.210 63.100 0.052 0.000 0.832 216 P CB -0.490 31.239 31.700 0.048 0.000 0.787 217 V N 0.195 120.153 119.914 0.074 0.000 2.453 217 V HA -0.172 3.949 4.120 0.001 0.000 0.247 217 V C 2.547 178.676 176.094 0.059 0.000 1.048 217 V CA 1.805 64.153 62.300 0.079 0.000 1.049 217 V CB -1.904 29.985 31.823 0.111 0.000 0.672 217 V HN 0.079 nan 8.190 nan 0.000 0.457 218 A N 0.250 123.100 122.820 0.050 0.000 1.903 218 A HA -0.279 4.041 4.320 0.001 0.000 0.219 218 A C 2.198 179.801 177.584 0.032 0.000 1.191 218 A CA 2.104 54.164 52.037 0.038 0.000 0.638 218 A CB -0.537 18.482 19.000 0.031 0.000 0.823 218 A HN 0.518 nan 8.150 nan 0.000 0.451 219 E N 0.000 120.219 120.200 0.031 0.000 2.085 219 E HA -0.189 4.161 4.350 0.001 0.000 0.194 219 E C 1.936 178.552 176.600 0.026 0.000 0.994 219 E CA 1.367 57.783 56.400 0.026 0.000 0.801 219 E CB -0.486 29.229 29.700 0.024 0.000 0.743 219 E HN 0.784 nan 8.360 nan 0.000 0.453 220 E N 0.587 120.806 120.200 0.032 0.000 2.058 220 E HA -0.159 4.192 4.350 0.001 0.000 0.194 220 E C 2.045 178.661 176.600 0.026 0.000 0.997 220 E CA 1.091 57.509 56.400 0.031 0.000 0.801 220 E CB -0.120 29.604 29.700 0.039 0.000 0.746 220 E HN 0.210 nan 8.360 nan 0.000 0.450 221 A N 1.593 124.430 122.820 0.029 0.000 1.902 221 A HA -0.206 4.115 4.320 0.001 0.000 0.217 221 A C 2.112 179.706 177.584 0.017 0.000 1.181 221 A CA 1.399 53.451 52.037 0.024 0.000 0.623 221 A CB -0.485 18.532 19.000 0.029 0.000 0.818 221 A HN 0.079 nan 8.150 nan 0.000 0.443 222 R N -0.306 120.205 120.500 0.018 0.000 2.091 222 R HA -0.209 4.132 4.340 0.001 0.000 0.238 222 R C 2.216 178.523 176.300 0.012 0.000 1.136 222 R CA 1.917 58.025 56.100 0.013 0.000 0.959 222 R CB -0.279 30.030 30.300 0.014 0.000 0.856 222 R HN 0.750 nan 8.270 nan 0.000 0.437 223 E N 0.332 120.540 120.200 0.014 0.000 2.072 223 E HA -0.207 4.144 4.350 0.001 0.000 0.191 223 E C 2.098 178.705 176.600 0.011 0.000 0.985 223 E CA 1.086 57.494 56.400 0.013 0.000 0.801 223 E CB -0.068 29.641 29.700 0.015 0.000 0.750 223 E HN 0.400 nan 8.360 nan 0.000 0.452 224 L N 0.405 121.635 121.223 0.012 0.000 2.072 224 L HA -0.110 4.231 4.340 0.001 0.000 0.205 224 L C 2.261 179.135 176.870 0.007 0.000 1.079 224 L CA 0.834 55.679 54.840 0.010 0.000 0.752 224 L CB -0.061 42.004 42.059 0.010 0.000 0.906 224 L HN 0.187 nan 8.230 nan 0.000 0.436 225 L N -0.715 120.512 121.223 0.006 0.000 2.027 225 L HA -0.191 4.150 4.340 0.001 0.000 0.206 225 L C 2.520 179.392 176.870 0.003 0.000 1.074 225 L CA 1.745 56.587 54.840 0.002 0.000 0.745 225 L CB -0.980 41.079 42.059 0.001 0.000 0.898 225 L HN 0.229 nan 8.230 nan 0.000 0.433 226 T N -0.145 114.412 114.554 0.004 0.000 2.597 226 T HA -0.229 4.122 4.350 0.001 0.000 0.267 226 T C 1.676 176.378 174.700 0.004 0.000 1.053 226 T CA 1.733 63.836 62.100 0.004 0.000 1.165 226 T CB -0.736 68.135 68.868 0.006 0.000 0.863 226 T HN 0.590 nan 8.240 nan 0.000 0.427 227 G N 0.684 109.487 108.800 0.005 0.000 2.586 227 G HA2 -0.150 3.811 3.960 0.001 0.000 0.215 227 G HA3 -0.150 3.811 3.960 0.001 0.000 0.215 227 G C 1.510 176.412 174.900 0.004 0.000 1.128 227 G CA 0.103 45.206 45.100 0.005 0.000 0.774 227 G HN 0.309 nan 8.290 nan 0.000 0.543 228 R N -0.190 120.311 120.500 0.003 0.000 2.334 228 R HA 0.153 4.494 4.340 0.001 0.000 0.216 228 R C 1.610 177.910 176.300 -0.000 0.000 0.905 228 R CA 0.476 56.577 56.100 0.001 0.000 1.064 228 R CB 0.031 30.331 30.300 -0.000 0.000 1.046 228 R HN 0.339 nan 8.270 nan 0.000 0.508 229 G N 1.496 110.297 108.800 0.000 0.000 2.176 229 G HA2 -0.242 3.718 3.960 0.001 0.000 0.252 229 G HA3 -0.242 3.718 3.960 0.001 0.000 0.252 229 G C 0.423 175.323 174.900 -0.001 0.000 1.024 229 G CA 0.233 45.333 45.100 0.000 0.000 0.755 229 G HN 0.361 nan 8.290 nan 0.000 0.507 230 L N -0.833 120.389 121.223 -0.001 0.000 2.959 230 L HA 0.449 4.790 4.340 0.001 0.000 0.259 230 L C 2.442 179.310 176.870 -0.002 0.000 1.185 230 L CA 0.450 55.288 54.840 -0.003 0.000 0.998 230 L CB 0.193 42.249 42.059 -0.005 0.000 1.337 230 L HN 0.258 nan 8.230 nan 0.000 0.555 231 A N 0.780 123.599 122.820 -0.001 0.000 2.070 231 A HA -0.199 4.121 4.320 0.001 0.000 0.220 231 A C 1.852 179.436 177.584 -0.000 0.000 1.159 231 A CA 1.883 53.920 52.037 0.000 0.000 0.656 231 A CB -0.280 18.721 19.000 0.002 0.000 0.800 231 A HN 0.597 nan 8.150 nan 0.000 0.453 232 D N -1.357 119.042 120.400 -0.000 0.000 2.346 232 D HA -0.029 4.612 4.640 0.001 0.000 0.206 232 D C 1.603 177.902 176.300 -0.002 0.000 1.001 232 D CA 0.184 54.183 54.000 -0.000 0.000 0.871 232 D CB -0.288 40.513 40.800 0.001 0.000 0.943 232 D HN 0.458 nan 8.370 nan 0.000 0.518 233 R N -0.444 120.054 120.500 -0.003 0.000 2.300 233 R HA 0.193 4.534 4.340 0.001 0.000 0.199 233 R C 0.078 176.372 176.300 -0.011 0.000 0.920 233 R CA -0.016 56.081 56.100 -0.005 0.000 1.046 233 R CB 0.531 30.829 30.300 -0.004 0.000 0.984 233 R HN 0.093 nan 8.270 nan 0.000 0.493 234 C N 1.698 120.992 119.300 -0.010 0.000 2.446 234 C HA 0.309 4.769 4.460 0.001 0.000 0.329 234 C C -0.575 174.410 174.990 -0.008 0.000 1.166 234 C CA -0.824 58.186 59.018 -0.014 0.000 1.341 234 C CB 0.876 28.607 27.740 -0.016 0.000 1.970 234 C HN 0.367 nan 8.230 nan 0.000 0.452 235 E N 4.473 124.667 120.200 -0.009 0.000 2.373 235 E HA 0.379 4.730 4.350 0.001 0.000 0.267 235 E C -0.299 176.302 176.600 0.001 0.000 1.032 235 E CA -0.005 56.393 56.400 -0.004 0.000 0.889 235 E CB 0.650 30.347 29.700 -0.004 0.000 0.984 235 E HN 0.509 nan 8.360 nan 0.000 0.425 236 I N 3.872 124.445 120.570 0.006 0.000 2.362 236 I HA 0.232 4.403 4.170 0.001 0.000 0.289 236 I C -0.531 175.593 176.117 0.013 0.000 0.994 236 I CA -0.437 60.869 61.300 0.011 0.000 1.158 236 I CB 0.734 38.741 38.000 0.012 0.000 1.315 236 I HN 0.417 nan 8.210 nan 0.000 0.451 237 L N 7.763 128.996 121.223 0.017 0.000 2.366 237 L HA 0.373 4.714 4.340 0.001 0.000 0.266 237 L C -2.343 174.537 176.870 0.017 0.000 1.010 237 L CA -1.674 53.176 54.840 0.017 0.000 0.879 237 L CB 1.419 43.491 42.059 0.021 0.000 1.228 237 L HN 0.249 nan 8.230 nan 0.000 0.439 238 P HA 0.061 nan 4.420 nan 0.000 0.263 238 P C 0.260 177.558 177.300 -0.002 0.000 1.345 238 P CA 0.367 63.472 63.100 0.009 0.000 1.119 238 P CB 0.766 32.473 31.700 0.012 0.000 1.363 239 G N 1.575 110.368 108.800 -0.011 0.000 3.302 239 G HA2 0.569 4.529 3.960 0.001 0.000 0.170 239 G HA3 0.569 4.529 3.960 0.001 0.000 0.170 239 G C -1.238 173.619 174.900 -0.072 0.000 1.119 239 G CA -0.159 44.927 45.100 -0.024 0.000 0.826 239 G HN 0.352 nan 8.290 nan 0.000 0.646 240 D N -1.634 118.719 120.400 -0.077 0.000 2.711 240 D HA 0.229 4.870 4.640 0.001 0.000 0.204 240 D C -0.492 175.763 176.300 -0.075 0.000 1.257 240 D CA -0.723 53.182 54.000 -0.159 0.000 0.808 240 D CB 0.837 41.572 40.800 -0.107 0.000 1.780 240 D HN 0.254 nan 8.370 nan 0.000 0.537 241 F N 2.218 122.145 119.950 -0.038 0.000 2.645 241 F HA 0.455 4.982 4.527 0.001 0.000 0.300 241 F C 0.357 175.997 175.800 -0.267 0.000 1.115 241 F CA -0.830 57.088 58.000 -0.137 0.000 1.355 241 F CB -0.786 38.109 39.000 -0.175 0.000 1.026 241 F HN 0.142 nan 8.300 nan 0.000 0.536 242 F N 0.643 120.607 119.950 0.024 0.000 2.746 242 F HA 0.220 4.748 4.527 0.002 0.000 0.297 242 F C 1.844 177.613 175.800 -0.051 0.000 1.113 242 F CA 0.441 58.417 58.000 -0.040 0.000 1.367 242 F CB 0.291 39.209 39.000 -0.136 0.000 1.111 242 F HN -0.029 nan 8.300 nan 0.000 0.590 243 E N -1.087 119.178 120.200 0.108 0.000 2.941 243 E HA 0.169 4.520 4.350 0.001 0.000 0.180 243 E C 0.304 176.919 176.600 0.026 0.000 1.130 243 E CA 0.407 56.836 56.400 0.047 0.000 1.243 243 E CB -0.374 29.340 29.700 0.024 0.000 1.582 243 E HN -0.112 nan 8.360 nan 0.000 0.499 244 T N 3.324 117.894 114.554 0.026 0.000 2.806 244 T HA 0.493 4.844 4.350 0.001 0.000 0.290 244 T C 0.023 174.751 174.700 0.046 0.000 0.966 244 T CA -0.083 62.033 62.100 0.026 0.000 1.060 244 T CB 0.700 69.580 68.868 0.020 0.000 0.927 244 T HN 0.034 nan 8.240 nan 0.000 0.485 245 I N 3.985 124.580 120.570 0.042 0.000 2.692 245 I HA 0.331 4.502 4.170 0.001 0.000 0.293 245 I C -2.549 173.622 176.117 0.091 0.000 1.200 245 I CA -2.540 58.803 61.300 0.072 0.000 1.036 245 I CB 1.926 39.940 38.000 0.023 0.000 1.258 245 I HN 0.374 nan 8.210 nan 0.000 0.421 246 P HA 0.231 nan 4.420 nan 0.000 0.271 246 P C -0.850 176.560 177.300 0.183 0.000 1.216 246 P CA -0.056 63.119 63.100 0.124 0.000 0.771 246 P CB 0.602 32.356 31.700 0.091 0.000 0.864 247 D N 0.776 121.245 120.400 0.115 0.000 2.313 247 D HA 0.412 5.053 4.640 0.001 0.000 0.247 247 D C 1.371 177.746 176.300 0.126 0.000 1.094 247 D CA 0.748 54.821 54.000 0.121 0.000 0.925 247 D CB 0.385 41.220 40.800 0.060 0.000 1.188 247 D HN 0.574 nan 8.370 nan 0.000 0.430 248 G N 0.207 109.095 108.800 0.147 0.000 2.153 248 G HA2 -0.146 3.814 3.960 0.001 0.000 0.252 248 G HA3 -0.146 3.814 3.960 0.001 0.000 0.252 248 G C 0.501 175.437 174.900 0.059 0.000 0.994 248 G CA 0.336 45.493 45.100 0.095 0.000 0.698 248 G HN 0.759 nan 8.290 nan 0.000 0.521 249 A N -0.518 122.326 122.820 0.040 0.000 2.366 249 A HA 0.573 4.893 4.320 0.001 0.000 0.249 249 A C 1.244 178.750 177.584 -0.131 0.000 1.084 249 A CA 0.761 52.672 52.037 -0.210 0.000 0.794 249 A CB 0.397 18.944 19.000 -0.755 0.000 1.034 249 A HN 0.139 nan 8.150 nan 0.000 0.491 250 D N -0.680 119.638 120.400 -0.138 0.000 2.162 250 D HA 0.105 4.746 4.640 0.001 0.000 0.205 250 D C 0.103 176.383 176.300 -0.034 0.000 0.964 250 D CA 1.481 55.454 54.000 -0.045 0.000 0.847 250 D CB 0.179 40.964 40.800 -0.025 0.000 0.988 250 D HN 0.235 nan 8.370 nan 0.000 0.480 251 V N 0.679 120.517 119.914 -0.127 0.000 2.686 251 V HA 0.321 4.442 4.120 0.001 0.000 0.306 251 V C -1.116 174.846 176.094 -0.220 0.000 1.065 251 V CA -0.968 61.296 62.300 -0.060 0.000 0.894 251 V CB 1.708 33.557 31.823 0.043 0.000 1.004 251 V HN -0.065 nan 8.190 nan 0.000 0.424 252 Y N 4.084 124.369 120.300 -0.024 0.000 2.420 252 Y HA 0.820 5.371 4.550 0.001 0.000 0.334 252 Y C -0.350 175.516 175.900 -0.056 0.000 1.094 252 Y CA -0.907 57.171 58.100 -0.037 0.000 1.126 252 Y CB 1.866 40.296 38.460 -0.050 0.000 1.217 252 Y HN 0.430 nan 8.280 nan 0.000 0.462 253 L N 3.988 125.265 121.223 0.090 0.000 2.370 253 L HA 0.644 4.985 4.340 0.001 0.000 0.266 253 L C -1.028 175.839 176.870 -0.004 0.000 1.002 253 L CA -0.762 54.087 54.840 0.015 0.000 0.818 253 L CB 2.294 44.353 42.059 -0.000 0.000 1.325 253 L HN 0.615 nan 8.230 nan 0.000 0.418 254 I N 1.858 122.397 120.570 -0.052 0.000 2.637 254 I HA 0.371 4.542 4.170 0.001 0.000 0.285 254 I C -1.443 174.604 176.117 -0.116 0.000 1.222 254 I CA -0.340 60.911 61.300 -0.082 0.000 1.067 254 I CB 1.052 38.978 38.000 -0.124 0.000 1.279 254 I HN 0.639 nan 8.210 nan 0.000 0.441 255 K N 6.436 126.774 120.400 -0.104 0.000 2.413 255 K HA 0.431 4.751 4.320 0.001 0.000 0.257 255 K C -0.352 176.172 176.600 -0.126 0.000 0.946 255 K CA -0.419 55.746 56.287 -0.204 0.000 0.823 255 K CB 0.568 32.964 32.500 -0.174 0.000 1.109 255 K HN 0.693 nan 8.250 nan 0.000 0.427 256 H N 1.415 120.383 119.070 -0.170 0.000 2.713 256 H HA -0.160 4.396 4.556 0.001 0.000 0.311 256 H C 0.418 175.695 175.328 -0.086 0.000 1.175 256 H CA 0.783 56.647 56.048 -0.307 0.000 1.143 256 H CB -1.626 28.111 29.762 -0.042 0.000 1.434 256 H HN 0.360 nan 8.280 nan 0.000 0.418 257 V N -0.517 119.415 119.914 0.031 0.000 2.854 257 V HA -0.022 4.099 4.120 0.001 0.000 0.236 257 V C 2.547 178.845 176.094 0.341 0.000 1.157 257 V CA 0.822 63.255 62.300 0.221 0.000 1.187 257 V CB -0.021 31.838 31.823 0.061 0.000 0.949 257 V HN 0.260 nan 8.190 nan 0.000 0.488 258 L N 1.171 122.501 121.223 0.179 0.000 2.083 258 L HA -0.216 4.125 4.340 0.001 0.000 0.209 258 L C 2.497 179.635 176.870 0.447 0.000 1.083 258 L CA 2.293 57.323 54.840 0.317 0.000 0.752 258 L CB -0.974 41.218 42.059 0.222 0.000 0.899 258 L HN 0.677 nan 8.230 nan 0.000 0.433 259 H N -2.087 117.138 119.070 0.259 0.000 2.560 259 H HA -0.104 4.453 4.556 0.002 0.000 0.283 259 H C 0.796 176.212 175.328 0.147 0.000 1.028 259 H CA 0.467 56.633 56.048 0.197 0.000 1.221 259 H CB -0.194 29.661 29.762 0.154 0.000 1.363 259 H HN 0.320 nan 8.280 nan 0.000 0.594 260 D N 0.125 120.797 120.400 0.452 0.000 2.355 260 D HA 0.016 4.657 4.640 0.001 0.000 0.218 260 D C -0.461 175.624 176.300 -0.359 0.000 1.004 260 D CA 0.456 54.453 54.000 -0.004 0.000 0.880 260 D CB 0.068 40.842 40.800 -0.044 0.000 0.911 260 D HN 0.458 nan 8.370 nan 0.000 0.528 261 W N 1.047 122.510 121.300 0.272 0.000 2.864 261 W HA 0.220 4.881 4.660 0.001 0.000 0.343 261 W C -0.063 176.558 176.519 0.170 0.000 1.109 261 W CA -1.225 56.263 57.345 0.238 0.000 1.192 261 W CB 0.716 30.321 29.460 0.242 0.000 1.426 261 W HN -0.266 nan 8.180 nan 0.000 0.529 262 D N -0.221 120.426 120.400 0.410 0.000 2.371 262 D HA 0.025 4.666 4.640 0.001 0.000 0.242 262 D C 0.773 177.209 176.300 0.227 0.000 1.218 262 D CA -0.007 54.144 54.000 0.252 0.000 0.945 262 D CB 0.662 41.580 40.800 0.197 0.000 1.137 262 D HN 0.282 nan 8.370 nan 0.000 0.464 263 D N -0.188 120.300 120.400 0.146 0.000 2.106 263 D HA -0.171 4.470 4.640 0.001 0.000 0.191 263 D C 1.318 177.664 176.300 0.077 0.000 0.997 263 D CA 1.344 55.402 54.000 0.097 0.000 0.834 263 D CB -0.268 40.569 40.800 0.062 0.000 0.956 263 D HN 0.458 nan 8.370 nan 0.000 0.448 264 D N 0.526 120.978 120.400 0.087 0.000 2.123 264 D HA -0.125 4.516 4.640 0.001 0.000 0.196 264 D C 1.570 177.920 176.300 0.084 0.000 0.992 264 D CA 0.893 54.936 54.000 0.071 0.000 0.833 264 D CB -0.268 40.578 40.800 0.078 0.000 0.954 264 D HN 0.213 nan 8.370 nan 0.000 0.455 265 D N -0.155 120.341 120.400 0.159 0.000 2.149 265 D HA -0.061 4.580 4.640 0.001 0.000 0.201 265 D C 2.266 178.547 176.300 -0.033 0.000 0.972 265 D CA 0.236 54.337 54.000 0.167 0.000 0.835 265 D CB -0.032 41.019 40.800 0.418 0.000 0.966 265 D HN 0.053 nan 8.370 nan 0.000 0.476 266 V N 0.704 120.649 119.914 0.052 0.000 2.407 266 V HA -0.187 3.934 4.120 0.001 0.000 0.248 266 V C 2.595 178.610 176.094 -0.130 0.000 1.055 266 V CA 0.966 63.249 62.300 -0.027 0.000 1.049 266 V CB -0.283 31.582 31.823 0.071 0.000 0.662 266 V HN 0.059 nan 8.190 nan 0.000 0.455 267 V N -0.484 119.376 119.914 -0.091 0.000 2.453 267 V HA -0.202 3.918 4.120 0.001 0.000 0.247 267 V C 2.551 178.566 176.094 -0.131 0.000 1.048 267 V CA 1.824 64.056 62.300 -0.114 0.000 1.049 267 V CB -0.715 31.065 31.823 -0.072 0.000 0.672 267 V HN 0.436 nan 8.190 nan 0.000 0.457 268 R N -0.329 120.103 120.500 -0.113 0.000 2.096 268 R HA -0.098 4.243 4.340 0.001 0.000 0.235 268 R C 2.205 178.362 176.300 -0.239 0.000 1.127 268 R CA 1.623 57.652 56.100 -0.117 0.000 0.968 268 R CB -0.305 29.989 30.300 -0.010 0.000 0.861 268 R HN 0.472 nan 8.270 nan 0.000 0.440 269 I N 0.460 120.796 120.570 -0.389 0.000 2.286 269 I HA -0.255 3.915 4.170 0.001 0.000 0.245 269 I C 2.145 178.058 176.117 -0.340 0.000 1.104 269 I CA 1.075 62.080 61.300 -0.492 0.000 1.397 269 I CB -0.266 37.313 38.000 -0.700 0.000 1.072 269 I HN 0.163 nan 8.210 nan 0.000 0.417 270 L N 0.456 121.514 121.223 -0.276 0.000 2.046 270 L HA -0.185 4.156 4.340 0.001 0.000 0.208 270 L C 2.761 179.510 176.870 -0.201 0.000 1.077 270 L CA 1.458 56.160 54.840 -0.230 0.000 0.747 270 L CB -0.505 41.422 42.059 -0.220 0.000 0.896 270 L HN 0.174 nan 8.230 nan 0.000 0.432 271 R N -0.505 119.891 120.500 -0.174 0.000 2.148 271 R HA -0.162 4.179 4.340 0.001 0.000 0.227 271 R C 2.351 178.565 176.300 -0.144 0.000 1.103 271 R CA 0.936 56.952 56.100 -0.140 0.000 0.983 271 R CB -0.215 30.021 30.300 -0.107 0.000 0.874 271 R HN 0.161 nan 8.270 nan 0.000 0.451 272 R N 1.323 121.724 120.500 -0.165 0.000 2.092 272 R HA -0.015 4.325 4.340 0.001 0.000 0.231 272 R C 1.775 177.958 176.300 -0.195 0.000 1.119 272 R CA 1.374 57.381 56.100 -0.154 0.000 0.970 272 R CB -0.300 29.908 30.300 -0.154 0.000 0.864 272 R HN 0.175 nan 8.270 nan 0.000 0.440 273 I N 0.387 120.805 120.570 -0.253 0.000 2.286 273 I HA -0.130 4.041 4.170 0.001 0.000 0.245 273 I C 2.387 178.296 176.117 -0.345 0.000 1.104 273 I CA 1.055 62.136 61.300 -0.365 0.000 1.397 273 I CB -0.576 37.200 38.000 -0.372 0.000 1.072 273 I HN 0.294 nan 8.210 nan 0.000 0.417 274 A N 1.382 124.060 122.820 -0.236 0.000 1.873 274 A HA -0.305 4.016 4.320 0.001 0.000 0.218 274 A C 2.457 179.952 177.584 -0.148 0.000 1.193 274 A CA 2.994 54.925 52.037 -0.176 0.000 0.629 274 A CB -1.481 17.439 19.000 -0.134 0.000 0.826 274 A HN 0.539 nan 8.150 nan 0.000 0.447 275 T N -2.325 112.151 114.554 -0.130 0.000 2.977 275 T HA 0.335 4.685 4.350 0.001 0.000 0.271 275 T C 0.875 175.524 174.700 -0.084 0.000 1.105 275 T CA 1.104 63.150 62.100 -0.091 0.000 1.116 275 T CB -0.588 68.236 68.868 -0.074 0.000 0.878 275 T HN 0.784 nan 8.240 nan 0.000 0.509 279 P HA -0.245 nan 4.420 nan 0.000 0.217 279 P C 0.355 177.664 177.300 0.015 0.000 1.148 279 P CA 1.672 64.778 63.100 0.009 0.000 0.834 279 P CB 0.125 31.828 31.700 0.006 0.000 0.783 280 D N -2.763 117.650 120.400 0.022 0.000 2.360 280 D HA 0.050 4.691 4.640 0.001 0.000 0.210 280 D C 0.470 176.792 176.300 0.038 0.000 1.047 280 D CA 0.162 54.176 54.000 0.023 0.000 0.854 280 D CB -0.711 40.099 40.800 0.018 0.000 0.936 280 D HN -0.024 nan 8.370 nan 0.000 0.514 281 S N 0.549 116.284 115.700 0.057 0.000 2.569 281 S HA 0.248 4.719 4.470 0.001 0.000 0.274 281 S C 0.377 175.029 174.600 0.086 0.000 1.353 281 S CA -0.136 58.121 58.200 0.095 0.000 1.023 281 S CB 0.783 64.090 63.200 0.178 0.000 0.876 281 S HN 0.112 nan 8.310 nan 0.000 0.540 282 R N 0.797 121.361 120.500 0.106 0.000 2.628 282 R HA 0.483 4.824 4.340 0.001 0.000 0.288 282 R C -1.291 175.063 176.300 0.089 0.000 0.980 282 R CA -0.819 55.325 56.100 0.074 0.000 0.891 282 R CB 1.361 31.698 30.300 0.062 0.000 1.188 282 R HN 0.488 nan 8.270 nan 0.000 0.450 283 L N 3.273 124.520 121.223 0.041 0.000 2.295 283 L HA 0.509 4.850 4.340 0.001 0.000 0.285 283 L C -1.058 175.780 176.870 -0.054 0.000 1.035 283 L CA -0.231 54.625 54.840 0.028 0.000 0.806 283 L CB 1.032 43.085 42.059 -0.009 0.000 1.214 283 L HN 0.515 nan 8.230 nan 0.000 0.426 284 L N 6.505 127.671 121.223 -0.095 0.000 2.283 284 L HA 0.429 4.769 4.340 0.001 0.000 0.281 284 L C -0.616 176.188 176.870 -0.110 0.000 1.033 284 L CA -0.790 53.947 54.840 -0.172 0.000 0.848 284 L CB 1.473 43.351 42.059 -0.301 0.000 1.226 284 L HN 0.341 nan 8.230 nan 0.000 0.429 285 V N 5.428 125.289 119.914 -0.087 0.000 2.408 285 V HA 0.277 4.398 4.120 0.001 0.000 0.267 285 V C 0.304 176.286 176.094 -0.188 0.000 1.047 285 V CA 0.053 62.291 62.300 -0.103 0.000 0.937 285 V CB 1.216 33.021 31.823 -0.031 0.000 0.999 285 V HN 0.487 nan 8.190 nan 0.000 0.472 286 I N 5.501 125.944 120.570 -0.212 0.000 2.355 286 I HA 0.607 4.777 4.170 0.001 0.000 0.288 286 I C -0.323 175.566 176.117 -0.380 0.000 0.999 286 I CA 0.067 61.212 61.300 -0.259 0.000 1.163 286 I CB 1.400 39.262 38.000 -0.231 0.000 1.316 286 I HN 0.538 nan 8.210 nan 0.000 0.454 287 D N 3.703 123.911 120.400 -0.320 0.000 2.764 287 D HA 0.208 4.849 4.640 0.001 0.000 0.293 287 D C -1.224 175.050 176.300 -0.043 0.000 1.287 287 D CA -0.788 53.063 54.000 -0.248 0.000 0.768 287 D CB 1.490 42.134 40.800 -0.259 0.000 1.288 287 D HN 0.401 nan 8.370 nan 0.000 0.426 288 N N 0.224 119.011 118.700 0.146 0.000 2.488 288 N HA 0.432 5.173 4.740 0.001 0.000 0.274 288 N C -0.558 174.989 175.510 0.062 0.000 1.111 288 N CA -0.076 53.065 53.050 0.151 0.000 0.974 288 N CB 1.184 39.815 38.487 0.240 0.000 1.089 288 N HN 0.137 nan 8.380 nan 0.000 0.465 289 L N 2.769 124.006 121.223 0.023 0.000 2.329 289 L HA 0.467 4.808 4.340 0.001 0.000 0.279 289 L C -0.382 176.506 176.870 0.030 0.000 1.014 289 L CA -1.067 53.774 54.840 0.002 0.000 0.814 289 L CB 1.406 43.444 42.059 -0.035 0.000 1.257 289 L HN 0.387 nan 8.230 nan 0.000 0.424 290 I N 2.829 123.421 120.570 0.036 0.000 2.379 290 I HA 0.093 4.264 4.170 0.001 0.000 0.290 290 I C 0.198 176.332 176.117 0.028 0.000 1.063 290 I CA -0.158 61.163 61.300 0.035 0.000 1.351 290 I CB 0.398 38.420 38.000 0.038 0.000 1.410 290 I HN 0.596 nan 8.210 nan 0.000 0.505 291 D N 5.568 125.982 120.400 0.023 0.000 2.560 291 D HA 0.109 4.750 4.640 0.001 0.000 0.277 291 D C 0.745 177.055 176.300 0.017 0.000 1.194 291 D CA -0.332 53.681 54.000 0.020 0.000 1.092 291 D CB 0.595 41.406 40.800 0.018 0.000 1.169 291 D HN 0.227 nan 8.370 nan 0.000 0.607 292 E N -0.969 119.240 120.200 0.015 0.000 2.274 292 E HA -0.014 4.336 4.350 0.001 0.000 0.194 292 E C 0.099 176.704 176.600 0.008 0.000 0.996 292 E CA 0.627 57.034 56.400 0.011 0.000 0.840 292 E CB 0.062 29.769 29.700 0.011 0.000 0.772 292 E HN 0.377 nan 8.360 nan 0.000 0.491 293 R N 0.733 121.239 120.500 0.010 0.000 2.748 293 R HA 0.280 4.621 4.340 0.001 0.000 0.283 293 R C -2.400 173.906 176.300 0.009 0.000 1.507 293 R CA -1.530 54.574 56.100 0.008 0.000 1.666 293 R CB 1.228 31.533 30.300 0.009 0.000 1.237 293 R HN -0.017 nan 8.270 nan 0.000 0.633 294 P HA 0.092 nan 4.420 nan 0.000 0.276 294 P C -0.215 177.088 177.300 0.006 0.000 1.243 294 P CA -0.229 62.876 63.100 0.009 0.000 0.768 294 P CB 1.075 32.776 31.700 0.002 0.000 0.856 295 A N 3.509 126.341 122.820 0.019 0.000 2.498 295 A HA 0.345 4.665 4.320 0.001 0.000 0.239 295 A C 1.761 179.356 177.584 0.018 0.000 1.068 295 A CA 0.370 52.423 52.037 0.026 0.000 0.766 295 A CB -0.301 18.725 19.000 0.045 0.000 1.003 295 A HN 0.626 nan 8.150 nan 0.000 0.497 296 A N 2.197 125.026 122.820 0.015 0.000 1.884 296 A HA -0.183 4.137 4.320 0.001 0.000 0.219 296 A C 2.535 180.171 177.584 0.087 0.000 1.197 296 A CA 2.647 54.676 52.037 -0.014 0.000 0.637 296 A CB -1.269 17.759 19.000 0.047 0.000 0.827 296 A HN 1.223 nan 8.150 nan 0.000 0.450 297 S N -1.373 114.438 115.700 0.185 0.000 2.392 297 S HA -0.189 4.282 4.470 0.001 0.000 0.232 297 S C 2.008 176.722 174.600 0.191 0.000 1.041 297 S CA 2.271 60.615 58.200 0.241 0.000 1.026 297 S CB -0.559 62.727 63.200 0.142 0.000 0.845 297 S HN 0.715 nan 8.310 nan 0.000 0.465 298 T N 2.165 116.784 114.554 0.107 0.000 2.857 298 T HA 0.125 4.476 4.350 0.001 0.000 0.266 298 T C 1.702 176.439 174.700 0.062 0.000 1.048 298 T CA 1.006 63.156 62.100 0.083 0.000 1.139 298 T CB -0.208 68.695 68.868 0.057 0.000 0.874 298 T HN 0.324 nan 8.240 nan 0.000 0.455 299 L N -0.290 120.932 121.223 -0.001 0.000 2.141 299 L HA 0.009 4.349 4.340 0.001 0.000 0.209 299 L C 2.224 179.064 176.870 -0.051 0.000 1.094 299 L CA 1.087 55.884 54.840 -0.072 0.000 0.763 299 L CB -0.593 41.357 42.059 -0.182 0.000 0.908 299 L HN 0.202 nan 8.230 nan 0.000 0.437 300 F N -0.171 119.809 119.950 0.050 0.000 2.134 300 F HA -0.178 4.350 4.527 0.001 0.000 0.299 300 F C 2.428 178.291 175.800 0.105 0.000 1.097 300 F CA 1.176 59.221 58.000 0.074 0.000 1.264 300 F CB -0.837 38.189 39.000 0.044 0.000 1.001 300 F HN -0.232 nan 8.300 nan 0.000 0.479 301 V N 0.037 120.109 119.914 0.263 0.000 2.407 301 V HA -0.316 3.805 4.120 0.001 0.000 0.248 301 V C 2.058 178.198 176.094 0.077 0.000 1.055 301 V CA 2.166 64.561 62.300 0.158 0.000 1.049 301 V CB -0.732 31.152 31.823 0.101 0.000 0.662 301 V HN 0.296 nan 8.190 nan 0.000 0.455 302 D N -0.185 120.252 120.400 0.061 0.000 2.149 302 D HA -0.216 4.425 4.640 0.001 0.000 0.198 302 D C 1.944 178.254 176.300 0.017 0.000 0.990 302 D CA 1.347 55.356 54.000 0.014 0.000 0.839 302 D CB -0.084 40.726 40.800 0.016 0.000 0.948 302 D HN 0.312 nan 8.370 nan 0.000 0.460 303 L N -0.194 121.082 121.223 0.089 0.000 2.072 303 L HA 0.039 4.380 4.340 0.001 0.000 0.205 303 L C 2.144 179.052 176.870 0.064 0.000 1.079 303 L CA 1.095 56.002 54.840 0.112 0.000 0.752 303 L CB -0.815 41.399 42.059 0.258 0.000 0.906 303 L HN 0.214 nan 8.230 nan 0.000 0.436 304 L N -0.620 120.740 121.223 0.229 0.000 2.021 304 L HA -0.277 4.064 4.340 0.001 0.000 0.215 304 L C 2.343 179.128 176.870 -0.143 0.000 1.074 304 L CA 2.052 56.973 54.840 0.136 0.000 0.760 304 L CB -0.643 41.586 42.059 0.284 0.000 0.889 304 L HN 0.290 nan 8.230 nan 0.000 0.433 305 L N -1.393 119.750 121.223 -0.134 0.000 2.042 305 L HA -0.243 4.098 4.340 0.001 0.000 0.210 305 L C 2.523 179.255 176.870 -0.230 0.000 1.076 305 L CA 1.425 56.130 54.840 -0.225 0.000 0.749 305 L CB -0.742 41.171 42.059 -0.243 0.000 0.893 305 L HN 0.412 nan 8.230 nan 0.000 0.432 306 L N -0.678 120.438 121.223 -0.179 0.000 2.012 306 L HA -0.172 4.169 4.340 0.001 0.000 0.210 306 L C 2.348 179.065 176.870 -0.255 0.000 1.073 306 L CA 1.644 56.380 54.840 -0.174 0.000 0.748 306 L CB -0.324 41.659 42.059 -0.128 0.000 0.891 306 L HN -0.088 nan 8.230 nan 0.000 0.431 307 V N -0.271 119.410 119.914 -0.389 0.000 2.307 307 V HA -0.270 3.851 4.120 0.001 0.000 0.245 307 V C 2.472 178.323 176.094 -0.404 0.000 1.045 307 V CA 2.086 64.072 62.300 -0.524 0.000 1.024 307 V CB -0.460 30.706 31.823 -1.095 0.000 0.651 307 V HN 0.454 nan 8.190 nan 0.000 0.449 308 L N 0.124 121.068 121.223 -0.465 0.000 2.095 308 L HA -0.031 4.310 4.340 0.001 0.000 0.204 308 L C 1.922 178.417 176.870 -0.624 0.000 1.080 308 L CA 1.612 56.108 54.840 -0.573 0.000 0.759 308 L CB -0.371 41.157 42.059 -0.885 0.000 0.914 308 L HN 0.460 nan 8.230 nan 0.000 0.439 309 V N -5.679 113.924 119.914 -0.517 0.000 3.382 309 V HA 0.536 4.657 4.120 0.001 0.000 0.296 309 V C 1.054 176.997 176.094 -0.252 0.000 1.529 309 V CA 0.189 62.215 62.300 -0.457 0.000 1.048 309 V CB 0.163 31.645 31.823 -0.570 0.000 0.878 309 V HN 0.413 nan 8.190 nan 0.000 0.442 310 G N 0.261 108.943 108.800 -0.197 0.000 2.143 310 G HA2 -0.129 3.832 3.960 0.001 0.000 0.248 310 G HA3 -0.129 3.832 3.960 0.001 0.000 0.248 310 G C 0.655 175.518 174.900 -0.061 0.000 0.991 310 G CA 0.451 45.491 45.100 -0.100 0.000 0.689 310 G HN 1.378 nan 8.290 nan 0.000 0.522 311 G N -0.748 107.990 108.800 -0.103 0.000 2.494 311 G HA2 0.890 4.851 3.960 0.001 0.000 0.270 311 G HA3 0.890 4.851 3.960 0.001 0.000 0.270 311 G C 0.122 175.013 174.900 -0.014 0.000 1.423 311 G CA 0.591 45.671 45.100 -0.033 0.000 1.055 311 G HN 1.878 nan 8.290 nan 0.000 0.536 312 A N -1.565 121.273 122.820 0.030 0.000 2.590 312 A HA 0.576 4.897 4.320 0.001 0.000 0.296 312 A C -0.896 176.743 177.584 0.092 0.000 1.050 312 A CA -0.653 51.409 52.037 0.041 0.000 0.697 312 A CB 1.140 20.180 19.000 0.065 0.000 1.277 312 A HN 0.468 nan 8.150 nan 0.000 0.411 313 E N 0.991 121.234 120.200 0.072 0.000 2.313 313 E HA 0.505 4.855 4.350 0.001 0.000 0.272 313 E C -0.449 176.219 176.600 0.112 0.000 1.038 313 E CA -0.273 56.197 56.400 0.116 0.000 0.863 313 E CB 1.439 31.192 29.700 0.089 0.000 1.060 313 E HN 0.528 nan 8.360 nan 0.000 0.402 314 R N 0.450 121.025 120.500 0.125 0.000 2.740 314 R HA 0.311 4.652 4.340 0.001 0.000 0.282 314 R C 0.227 176.582 176.300 0.091 0.000 0.969 314 R CA -0.556 55.621 56.100 0.129 0.000 0.918 314 R CB 1.789 32.221 30.300 0.219 0.000 1.175 314 R HN 0.634 nan 8.270 nan 0.000 0.464 315 S N 0.356 116.111 115.700 0.091 0.000 2.661 315 S HA 0.035 4.505 4.470 0.001 0.000 0.265 315 S C 1.169 175.825 174.600 0.093 0.000 1.225 315 S CA -0.451 57.791 58.200 0.070 0.000 0.986 315 S CB 1.278 64.513 63.200 0.058 0.000 1.008 315 S HN 0.733 nan 8.310 nan 0.000 0.565 316 E N 1.073 121.314 120.200 0.069 0.000 2.048 316 E HA -0.203 4.148 4.350 0.001 0.000 0.202 316 E C 2.191 178.862 176.600 0.119 0.000 1.021 316 E CA 2.550 59.000 56.400 0.082 0.000 0.825 316 E CB -0.722 29.009 29.700 0.053 0.000 0.756 316 E HN 0.796 nan 8.360 nan 0.000 0.454 317 S N -0.573 115.178 115.700 0.085 0.000 2.414 317 S HA -0.079 4.392 4.470 0.001 0.000 0.227 317 S C 1.887 176.534 174.600 0.078 0.000 1.022 317 S CA 0.957 59.200 58.200 0.071 0.000 0.958 317 S CB -0.290 62.936 63.200 0.045 0.000 0.797 317 S HN 0.320 nan 8.310 nan 0.000 0.493 318 E N 0.225 120.484 120.200 0.098 0.000 2.077 318 E HA -0.081 4.269 4.350 0.001 0.000 0.193 318 E C 1.658 178.331 176.600 0.121 0.000 0.989 318 E CA 1.338 57.796 56.400 0.097 0.000 0.800 318 E CB -0.278 29.489 29.700 0.112 0.000 0.746 318 E HN 0.631 nan 8.360 nan 0.000 0.452 319 F N 0.898 120.858 119.950 0.017 0.000 2.259 319 F HA -0.036 4.491 4.527 0.001 0.000 0.298 319 F C 2.110 177.910 175.800 -0.001 0.000 1.088 319 F CA 1.007 59.014 58.000 0.011 0.000 1.358 319 F CB -0.094 38.913 39.000 0.012 0.000 1.040 319 F HN -0.065 nan 8.300 nan 0.000 0.505 320 A N 0.136 123.008 122.820 0.088 0.000 1.898 320 A HA -0.024 4.297 4.320 0.001 0.000 0.216 320 A C 2.412 179.957 177.584 -0.065 0.000 1.181 320 A CA 1.479 53.520 52.037 0.006 0.000 0.620 320 A CB -1.455 17.573 19.000 0.046 0.000 0.819 320 A HN 0.389 nan 8.150 nan 0.000 0.442 321 A N -0.199 122.596 122.820 -0.042 0.000 1.940 321 A HA -0.088 4.233 4.320 0.001 0.000 0.219 321 A C 2.153 179.676 177.584 -0.103 0.000 1.176 321 A CA 1.607 53.612 52.037 -0.053 0.000 0.631 321 A CB -0.572 18.415 19.000 -0.023 0.000 0.814 321 A HN 0.490 nan 8.150 nan 0.000 0.446 322 L N -0.988 120.132 121.223 -0.173 0.000 2.072 322 L HA -0.102 4.239 4.340 0.001 0.000 0.205 322 L C 2.521 179.226 176.870 -0.275 0.000 1.079 322 L CA 0.729 55.431 54.840 -0.231 0.000 0.752 322 L CB -0.520 41.350 42.059 -0.315 0.000 0.906 322 L HN 0.358 nan 8.230 nan 0.000 0.436 323 L N -0.178 120.837 121.223 -0.348 0.000 2.017 323 L HA -0.216 4.125 4.340 0.001 0.000 0.208 323 L C 2.239 179.014 176.870 -0.159 0.000 1.073 323 L CA 1.397 56.073 54.840 -0.273 0.000 0.745 323 L CB -0.515 41.399 42.059 -0.241 0.000 0.894 323 L HN 0.261 nan 8.230 nan 0.000 0.432 324 E N -0.126 120.001 120.200 -0.122 0.000 2.515 324 E HA -0.155 4.196 4.350 0.001 0.000 0.201 324 E C 1.643 178.196 176.600 -0.078 0.000 1.071 324 E CA 0.489 56.840 56.400 -0.082 0.000 0.880 324 E CB 0.076 29.741 29.700 -0.059 0.000 0.828 324 E HN 0.390 nan 8.360 nan 0.000 0.540 325 K N -0.342 119.999 120.400 -0.097 0.000 2.367 325 K HA 0.127 4.448 4.320 0.001 0.000 0.194 325 K C 0.816 177.363 176.600 -0.089 0.000 1.027 325 K CA 0.325 56.563 56.287 -0.082 0.000 1.075 325 K CB 0.758 33.208 32.500 -0.082 0.000 0.845 325 K HN -0.062 nan 8.250 nan 0.000 0.529 326 S N -0.456 115.178 115.700 -0.109 0.000 2.819 326 S HA 0.173 4.643 4.470 0.001 0.000 0.249 326 S C 0.642 175.180 174.600 -0.104 0.000 1.030 326 S CA 0.061 58.191 58.200 -0.116 0.000 1.052 326 S CB 1.474 64.581 63.200 -0.154 0.000 1.017 326 S HN 0.421 nan 8.310 nan 0.000 0.576 327 G N 1.882 110.630 108.800 -0.087 0.000 2.225 327 G HA2 -0.221 3.740 3.960 0.001 0.000 0.264 327 G HA3 -0.221 3.740 3.960 0.001 0.000 0.264 327 G C -0.326 174.529 174.900 -0.074 0.000 1.060 327 G CA 0.135 45.192 45.100 -0.072 0.000 0.833 327 G HN 0.461 nan 8.290 nan 0.000 0.498 328 L N -1.205 119.969 121.223 -0.081 0.000 2.376 328 L HA 0.863 5.204 4.340 0.001 0.000 0.258 328 L C 0.015 176.849 176.870 -0.059 0.000 1.013 328 L CA -1.422 53.373 54.840 -0.074 0.000 0.822 328 L CB 2.020 44.022 42.059 -0.096 0.000 1.388 328 L HN 0.024 nan 8.230 nan 0.000 0.413 329 R N 0.715 121.193 120.500 -0.036 0.000 2.673 329 R HA 0.492 4.833 4.340 0.001 0.000 0.281 329 R C -1.324 174.977 176.300 0.002 0.000 0.991 329 R CA -0.899 55.189 56.100 -0.019 0.000 0.896 329 R CB 2.312 32.604 30.300 -0.014 0.000 1.201 329 R HN 0.274 nan 8.270 nan 0.000 0.457 330 V N 3.020 122.944 119.914 0.018 0.000 2.446 330 V HA -0.026 4.095 4.120 0.001 0.000 0.276 330 V C 1.519 177.628 176.094 0.026 0.000 1.030 330 V CA 0.382 62.705 62.300 0.038 0.000 1.033 330 V CB 0.994 32.850 31.823 0.055 0.000 0.993 330 V HN 0.762 nan 8.190 nan 0.000 0.477 331 E N 5.471 125.687 120.200 0.027 0.000 2.035 331 E HA 0.124 4.475 4.350 0.001 0.000 0.191 331 E C 0.857 177.473 176.600 0.026 0.000 0.966 331 E CA 1.006 57.420 56.400 0.024 0.000 0.823 331 E CB 0.358 30.074 29.700 0.027 0.000 0.791 331 E HN 0.663 nan 8.360 nan 0.000 0.459 332 R N -0.749 119.771 120.500 0.033 0.000 2.892 332 R HA 0.566 4.906 4.340 0.001 0.000 0.265 332 R C -1.171 175.146 176.300 0.028 0.000 1.025 332 R CA -0.675 55.445 56.100 0.033 0.000 0.982 332 R CB 2.021 32.348 30.300 0.045 0.000 1.185 332 R HN 0.082 nan 8.270 nan 0.000 0.484 333 S N 2.078 117.792 115.700 0.023 0.000 2.775 333 S HA 0.442 4.913 4.470 0.001 0.000 0.277 333 S C -1.321 173.287 174.600 0.013 0.000 1.156 333 S CA -0.811 57.397 58.200 0.012 0.000 1.081 333 S CB 0.175 63.381 63.200 0.011 0.000 1.054 333 S HN 0.441 nan 8.310 nan 0.000 0.482 334 L N 2.751 123.982 121.223 0.014 0.000 2.341 334 L HA 0.908 5.248 4.340 0.001 0.000 0.267 334 L C -2.912 173.968 176.870 0.016 0.000 1.009 334 L CA -2.358 52.495 54.840 0.022 0.000 0.819 334 L CB 0.329 42.412 42.059 0.039 0.000 1.323 334 L HN 0.261 nan 8.230 nan 0.000 0.425 335 P HA 0.238 nan 4.420 nan 0.000 0.274 335 P C -0.582 176.734 177.300 0.028 0.000 1.256 335 P CA -0.512 62.601 63.100 0.020 0.000 0.795 335 P CB 0.838 32.552 31.700 0.023 0.000 1.038 336 C N 0.901 120.219 119.300 0.029 0.000 3.208 336 C HA 0.625 5.086 4.460 0.001 0.000 0.250 336 C C 0.421 175.437 174.990 0.043 0.000 2.195 336 C CA 0.540 59.581 59.018 0.037 0.000 1.303 336 C CB -1.404 26.353 27.740 0.028 0.000 2.376 336 C HN 0.851 nan 8.230 nan 0.000 0.545 337 G N 1.352 110.177 108.800 0.041 0.000 2.330 337 G HA2 0.371 4.331 3.960 0.001 0.000 0.125 337 G HA3 0.371 4.331 3.960 0.001 0.000 0.125 337 G C 0.546 175.471 174.900 0.041 0.000 1.060 337 G CA 0.343 45.469 45.100 0.043 0.000 0.743 337 G HN 2.122 nan 8.290 nan 0.000 0.480 338 A N -1.967 120.874 122.820 0.036 0.000 2.624 338 A HA 0.251 4.572 4.320 0.001 0.000 0.302 338 A C 1.934 179.541 177.584 0.038 0.000 1.504 338 A CA 2.503 54.560 52.037 0.033 0.000 0.804 338 A CB -1.164 17.854 19.000 0.030 0.000 1.020 338 A HN 2.415 nan 8.150 nan 0.000 0.444 339 G N -1.233 107.594 108.800 0.045 0.000 3.262 339 G HA2 0.693 4.654 3.960 0.001 0.000 0.229 339 G HA3 0.693 4.654 3.960 0.001 0.000 0.229 339 G C -1.099 173.832 174.900 0.052 0.000 1.280 339 G CA 0.025 45.157 45.100 0.053 0.000 0.951 339 G HN 0.293 nan 8.290 nan 0.000 0.589 340 P HA 0.172 nan 4.420 nan 0.000 0.255 340 P C 0.124 177.460 177.300 0.060 0.000 1.248 340 P CA -0.013 63.123 63.100 0.060 0.000 0.807 340 P CB 0.378 32.121 31.700 0.073 0.000 1.150 341 V N 2.668 122.625 119.914 0.071 0.000 2.521 341 V HA 0.129 4.250 4.120 0.001 0.000 0.286 341 V C 0.838 176.937 176.094 0.010 0.000 1.034 341 V CA 0.162 62.496 62.300 0.057 0.000 1.045 341 V CB 0.217 32.089 31.823 0.082 0.000 0.974 341 V HN 0.089 nan 8.190 nan 0.000 0.480 342 R N 4.016 124.497 120.500 -0.032 0.000 2.750 342 R HA 0.605 4.945 4.340 0.001 0.000 0.281 342 R C -1.119 175.131 176.300 -0.083 0.000 0.972 342 R CA -0.938 55.134 56.100 -0.046 0.000 0.912 342 R CB 2.392 32.660 30.300 -0.054 0.000 1.187 342 R HN 0.520 nan 8.270 nan 0.000 0.464 343 I N 1.814 122.346 120.570 -0.062 0.000 2.312 343 I HA 0.193 4.363 4.170 0.001 0.000 0.290 343 I C -0.038 176.031 176.117 -0.079 0.000 1.008 343 I CA -0.479 60.769 61.300 -0.086 0.000 1.226 343 I CB 1.545 39.506 38.000 -0.065 0.000 1.371 343 I HN 0.084 nan 8.210 nan 0.000 0.468 344 V N 6.139 125.990 119.914 -0.105 0.000 2.333 344 V HA 0.247 4.368 4.120 0.001 0.000 0.274 344 V C 0.319 176.384 176.094 -0.048 0.000 1.028 344 V CA -0.744 61.520 62.300 -0.059 0.000 0.851 344 V CB 1.036 32.824 31.823 -0.060 0.000 1.000 344 V HN 0.694 nan 8.190 nan 0.000 0.456 345 E N 5.110 125.294 120.200 -0.026 0.000 2.259 345 E HA 0.502 4.853 4.350 0.001 0.000 0.281 345 E C -1.078 175.527 176.600 0.009 0.000 1.037 345 E CA -0.273 56.111 56.400 -0.025 0.000 0.854 345 E CB 0.808 30.536 29.700 0.047 0.000 1.051 345 E HN 0.626 nan 8.360 nan 0.000 0.409 346 I N 4.685 125.256 120.570 0.002 0.000 2.608 346 I HA 0.429 4.599 4.170 0.001 0.000 0.295 346 I C -0.206 175.915 176.117 0.006 0.000 1.049 346 I CA -0.952 60.356 61.300 0.014 0.000 1.063 346 I CB 1.978 39.991 38.000 0.023 0.000 1.248 346 I HN 0.525 nan 8.210 nan 0.000 0.424 347 R N 3.883 124.384 120.500 0.002 0.000 2.892 347 R HA 0.685 5.026 4.340 0.001 0.000 0.265 347 R C -0.699 175.590 176.300 -0.018 0.000 1.025 347 R CA -1.064 55.036 56.100 -0.001 0.000 0.982 347 R CB 1.505 31.808 30.300 0.005 0.000 1.185 347 R HN 0.481 nan 8.270 nan 0.000 0.484 348 R N 0.986 121.474 120.500 -0.019 0.000 2.390 348 R HA 0.346 4.687 4.340 0.001 0.000 0.291 348 R C -0.086 176.199 176.300 -0.026 0.000 1.070 348 R CA 0.142 56.222 56.100 -0.032 0.000 1.014 348 R CB 1.001 31.281 30.300 -0.033 0.000 1.007 348 R HN 0.795 nan 8.270 nan 0.000 0.466 349 A N 0.000 122.800 122.820 -0.033 0.000 2.254 349 A HA 0.000 4.321 4.320 0.001 0.000 0.244 349 A CA 0.000 52.021 52.037 -0.027 0.000 0.836 349 A CB 0.000 18.980 19.000 -0.033 0.000 0.831 349 A HN 0.000 nan 8.150 nan 0.000 0.486