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 3il6_1_A DATA FIRST_RESID 6 DATA SEQUENCE KNYARISCTS RYVPENCVTN HQLSEMMDTS AAWIHSRTGI SERRIVTQEN DATA SEQUENCE TSDLCHQVAK QLLEKSGKQA SEIDFILVAT VTPDFNMPSV ACQVQGAIGA DATA SEQUENCE TEAFAFDISA AXSGFVYALS MAEKLVLSGR YQTGLVIGGE TFSKMLDWTD DATA SEQUENCE RSTAVLFGDG AAGVLIEAAE TPHFLNEKLQ ADGQRWTALT SGYTINESPF DATA SEQUENCE YQGHKQASKT LQMEGRSIFD FAIKDVSQNI LSLVTDETVD YLLLHQANVR DATA SEQUENCE IIDKIARKTK ISREKFLTNM DKYGNTSAAS IPILLDEAVE NGTLILGSQQ DATA SEQUENCE RVVLTGFGGG LTWGSLLLTL 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 6 K HA 0.000 nan 4.320 nan 0.000 0.191 6 K C 0.000 176.555 176.600 -0.075 0.000 0.988 6 K CA 0.000 56.278 56.287 -0.015 0.000 0.838 6 K CB 0.000 32.520 32.500 0.034 0.000 1.064 7 N N -0.366 118.201 118.700 -0.221 0.000 2.232 7 N HA 0.090 4.830 4.740 -0.000 0.000 0.240 7 N C -1.060 174.303 175.510 -0.245 0.000 1.307 7 N CA -0.404 52.506 53.050 -0.232 0.000 0.859 7 N CB 0.280 38.592 38.487 -0.290 0.000 1.260 7 N HN 0.146 nan 8.380 nan 0.000 0.501 8 Y N 1.805 122.157 120.300 0.087 0.000 2.353 8 Y HA 0.665 5.215 4.550 -0.000 0.000 0.340 8 Y C 0.663 176.663 175.900 0.167 0.000 0.972 8 Y CA -1.822 56.354 58.100 0.126 0.000 1.157 8 Y CB 0.833 39.380 38.460 0.145 0.000 1.157 8 Y HN 0.176 nan 8.280 nan 0.000 0.495 9 A N 4.874 127.854 122.820 0.267 0.000 2.520 9 A HA 0.484 4.804 4.320 -0.000 0.000 0.235 9 A C 0.305 178.149 177.584 0.434 0.000 1.065 9 A CA -0.138 51.995 52.037 0.160 0.000 0.764 9 A CB 0.121 18.955 19.000 -0.276 0.000 1.002 9 A HN 0.882 nan 8.150 nan 0.000 0.502 10 R N 1.712 122.413 120.500 0.335 0.000 2.566 10 R HA 0.501 4.841 4.340 -0.000 0.000 0.271 10 R C -1.824 174.548 176.300 0.120 0.000 1.071 10 R CA -0.659 55.567 56.100 0.210 0.000 0.915 10 R CB 0.911 31.211 30.300 0.001 0.000 1.228 10 R HN 0.582 nan 8.270 nan 0.000 0.449 11 I N 4.305 124.909 120.570 0.056 0.000 2.347 11 I HA 0.095 4.265 4.170 -0.000 0.000 0.294 11 I C 0.540 176.635 176.117 -0.036 0.000 1.090 11 I CA -0.030 61.299 61.300 0.048 0.000 1.314 11 I CB 1.624 39.656 38.000 0.053 0.000 1.423 11 I HN 0.787 nan 8.210 nan 0.000 0.503 12 S N 3.606 119.299 115.700 -0.012 0.000 2.427 12 S HA 0.100 4.570 4.470 -0.000 0.000 0.224 12 S C 0.416 175.009 174.600 -0.012 0.000 1.047 12 S CA 0.142 58.328 58.200 -0.022 0.000 0.953 12 S CB 0.249 63.442 63.200 -0.011 0.000 0.824 12 S HN 0.640 nan 8.310 nan 0.000 0.502 13 C N 1.671 120.971 119.300 0.001 0.000 2.889 13 C HA 0.815 5.275 4.460 -0.000 0.000 0.307 13 C C 0.310 175.310 174.990 0.017 0.000 1.251 13 C CA -1.018 58.002 59.018 0.003 0.000 1.593 13 C CB 1.587 29.326 27.740 -0.002 0.000 2.104 13 C HN 0.549 nan 8.230 nan 0.000 0.476 14 T N -0.878 113.682 114.554 0.010 0.000 2.916 14 T HA 0.870 5.220 4.350 -0.000 0.000 0.292 14 T C -0.771 173.929 174.700 -0.000 0.000 1.064 14 T CA -0.521 61.587 62.100 0.012 0.000 1.011 14 T CB 1.827 70.696 68.868 0.001 0.000 1.152 14 T HN 0.971 nan 8.240 nan 0.000 0.510 15 S N -0.031 115.664 115.700 -0.009 0.000 2.580 15 S HA 0.621 5.090 4.470 -0.000 0.000 0.281 15 S C -1.667 172.922 174.600 -0.019 0.000 1.129 15 S CA -1.007 57.189 58.200 -0.007 0.000 0.862 15 S CB 1.162 64.364 63.200 0.005 0.000 1.090 15 S HN 1.250 nan 8.310 nan 0.000 0.451 16 R N 1.708 122.204 120.500 -0.007 0.000 2.808 16 R HA 0.781 5.121 4.340 -0.000 0.000 0.272 16 R C -2.094 174.250 176.300 0.074 0.000 0.995 16 R CA -0.899 55.190 56.100 -0.019 0.000 0.917 16 R CB 1.333 31.570 30.300 -0.104 0.000 1.217 16 R HN 0.610 nan 8.270 nan 0.000 0.471 17 Y N 1.390 121.653 120.300 -0.063 0.000 2.358 17 Y HA 0.428 4.978 4.550 -0.000 0.000 0.324 17 Y C -1.635 174.256 175.900 -0.014 0.000 1.123 17 Y CA -0.650 57.431 58.100 -0.031 0.000 1.067 17 Y CB 1.980 40.420 38.460 -0.034 0.000 1.230 17 Y HN 0.695 nan 8.280 nan 0.000 0.429 18 V N 3.409 122.928 119.914 -0.657 0.000 2.864 18 V HA 0.817 4.937 4.120 -0.000 0.000 0.314 18 V C -2.855 172.896 176.094 -0.571 0.000 1.073 18 V CA -3.036 59.033 62.300 -0.385 0.000 0.956 18 V CB 1.711 33.482 31.823 -0.086 0.000 1.023 18 V HN 0.639 nan 8.190 nan 0.000 0.435 19 P HA 0.128 nan 4.420 nan 0.000 0.267 19 P C 0.624 177.852 177.300 -0.120 0.000 1.200 19 P CA 0.165 63.202 63.100 -0.106 0.000 0.772 19 P CB 0.631 32.334 31.700 0.006 0.000 0.855 20 E N 2.354 122.512 120.200 -0.070 0.000 2.150 20 E HA -0.200 4.150 4.350 -0.000 0.000 0.193 20 E C 0.510 177.090 176.600 -0.034 0.000 0.985 20 E CA 0.312 56.681 56.400 -0.052 0.000 0.814 20 E CB -0.183 29.509 29.700 -0.013 0.000 0.752 20 E HN 0.364 nan 8.360 nan 0.000 0.466 21 N N 0.688 119.375 118.700 -0.021 0.000 2.429 21 N HA -0.084 4.656 4.740 -0.000 0.000 0.271 21 N C -1.551 173.946 175.510 -0.022 0.000 1.272 21 N CA 0.100 53.138 53.050 -0.021 0.000 0.921 21 N CB 0.493 38.967 38.487 -0.021 0.000 1.128 21 N HN 0.147 nan 8.380 nan 0.000 0.481 22 C N 5.138 124.424 119.300 -0.024 0.000 2.273 22 C HA 0.563 5.023 4.460 -0.000 0.000 0.328 22 C C -0.427 174.553 174.990 -0.017 0.000 1.275 22 C CA -0.622 58.381 59.018 -0.024 0.000 1.704 22 C CB -0.820 26.899 27.740 -0.035 0.000 2.326 22 C HN 0.497 nan 8.230 nan 0.000 0.517 23 V N 7.552 127.462 119.914 -0.007 0.000 2.313 23 V HA 0.366 4.486 4.120 -0.000 0.000 0.278 23 V C 0.872 176.976 176.094 0.015 0.000 1.017 23 V CA -0.154 62.146 62.300 0.001 0.000 0.823 23 V CB 1.400 33.224 31.823 0.001 0.000 1.010 23 V HN 1.013 nan 8.190 nan 0.000 0.443 24 T N 1.302 115.869 114.554 0.022 0.000 2.849 24 T HA 0.186 4.536 4.350 -0.000 0.000 0.284 24 T C 1.120 175.854 174.700 0.057 0.000 1.004 24 T CA -0.552 61.569 62.100 0.034 0.000 1.021 24 T CB 0.774 69.677 68.868 0.060 0.000 1.013 24 T HN 0.437 nan 8.240 nan 0.000 0.527 25 N N 0.021 118.757 118.700 0.060 0.000 2.289 25 N HA -0.125 4.615 4.740 -0.000 0.000 0.184 25 N C 1.558 177.138 175.510 0.116 0.000 1.016 25 N CA 1.128 54.225 53.050 0.078 0.000 0.872 25 N CB -0.806 37.726 38.487 0.075 0.000 0.973 25 N HN 0.839 nan 8.380 nan 0.000 0.433 26 H N 1.385 120.477 119.070 0.036 0.000 2.387 26 H HA 0.009 4.565 4.556 -0.000 0.000 0.299 26 H C 1.716 177.065 175.328 0.034 0.000 1.090 26 H CA 1.710 57.781 56.048 0.037 0.000 1.332 26 H CB 0.130 29.908 29.762 0.027 0.000 1.386 26 H HN 0.300 nan 8.280 nan 0.000 0.516 27 Q N -0.320 119.443 119.800 -0.062 0.000 2.172 27 Q HA -0.036 4.304 4.340 -0.000 0.000 0.200 27 Q C 2.372 178.331 176.000 -0.068 0.000 0.964 27 Q CA 1.185 56.919 55.803 -0.114 0.000 0.855 27 Q CB 0.150 28.866 28.738 -0.036 0.000 0.918 27 Q HN 0.462 nan 8.270 nan 0.000 0.444 28 L N 0.852 122.077 121.223 0.003 0.000 2.217 28 L HA -0.102 4.238 4.340 -0.000 0.000 0.211 28 L C 2.574 179.473 176.870 0.047 0.000 1.107 28 L CA 1.076 55.952 54.840 0.059 0.000 0.783 28 L CB -0.408 41.721 42.059 0.116 0.000 0.919 28 L HN 0.290 nan 8.230 nan 0.000 0.442 29 S N -0.882 114.828 115.700 0.016 0.000 2.428 29 S HA -0.127 4.343 4.470 -0.000 0.000 0.230 29 S C 1.623 176.216 174.600 -0.012 0.000 1.014 29 S CA 0.652 58.869 58.200 0.028 0.000 0.957 29 S CB -0.126 63.105 63.200 0.052 0.000 0.784 29 S HN 0.469 nan 8.310 nan 0.000 0.499 30 E N 0.963 121.113 120.200 -0.082 0.000 2.033 30 E HA 0.016 4.365 4.350 -0.000 0.000 0.189 30 E C 2.193 178.777 176.600 -0.027 0.000 0.979 30 E CA 0.982 57.333 56.400 -0.081 0.000 0.802 30 E CB -0.299 29.310 29.700 -0.152 0.000 0.763 30 E HN 0.465 nan 8.360 nan 0.000 0.449 31 M N 0.346 119.936 119.600 -0.017 0.000 2.088 31 M HA -0.196 4.284 4.480 -0.000 0.000 0.256 31 M C 1.402 177.731 176.300 0.049 0.000 1.071 31 M CA 1.596 56.907 55.300 0.018 0.000 1.097 31 M CB -0.109 32.514 32.600 0.040 0.000 1.315 31 M HN 0.097 nan 8.290 nan 0.000 0.406 32 M N -1.364 118.276 119.600 0.066 0.000 2.513 32 M HA 0.101 4.581 4.480 -0.000 0.000 0.250 32 M C -0.118 176.215 176.300 0.055 0.000 1.145 32 M CA -0.114 55.231 55.300 0.076 0.000 0.948 32 M CB 0.358 33.018 32.600 0.100 0.000 1.405 32 M HN -0.170 nan 8.290 nan 0.000 0.546 33 D N 0.338 120.774 120.400 0.059 0.000 3.010 33 D HA 0.290 4.930 4.640 -0.000 0.000 0.347 33 D C -1.305 175.032 176.300 0.061 0.000 1.340 33 D CA 0.039 54.068 54.000 0.048 0.000 0.858 33 D CB 0.408 41.231 40.800 0.037 0.000 1.111 33 D HN 0.423 nan 8.370 nan 0.000 0.482 34 T N -0.936 113.668 114.554 0.082 0.000 2.910 34 T HA 0.565 4.915 4.350 -0.000 0.000 0.287 34 T C -0.185 174.588 174.700 0.121 0.000 1.050 34 T CA -0.891 61.282 62.100 0.121 0.000 1.011 34 T CB 1.481 70.455 68.868 0.178 0.000 1.195 34 T HN 0.117 nan 8.240 nan 0.000 0.540 35 S N 0.135 115.933 115.700 0.164 0.000 2.541 35 S HA 0.611 5.081 4.470 -0.000 0.000 0.283 35 S C 1.407 176.123 174.600 0.194 0.000 1.196 35 S CA -0.359 57.936 58.200 0.158 0.000 1.062 35 S CB 1.268 64.555 63.200 0.144 0.000 1.009 35 S HN 0.863 nan 8.310 nan 0.000 0.502 36 A N 3.216 126.138 122.820 0.170 0.000 1.902 36 A HA 0.141 4.461 4.320 -0.000 0.000 0.217 36 A C 2.380 180.079 177.584 0.193 0.000 1.181 36 A CA 1.748 53.888 52.037 0.171 0.000 0.623 36 A CB -1.617 17.496 19.000 0.189 0.000 0.818 36 A HN 1.425 nan 8.150 nan 0.000 0.443 37 A N -1.332 121.600 122.820 0.186 0.000 1.892 37 A HA -0.244 4.076 4.320 -0.000 0.000 0.218 37 A C 2.168 179.905 177.584 0.256 0.000 1.188 37 A CA 1.484 53.628 52.037 0.178 0.000 0.631 37 A CB -0.986 18.094 19.000 0.133 0.000 0.822 37 A HN 0.875 nan 8.150 nan 0.000 0.447 38 W N 0.181 121.508 121.300 0.045 0.000 2.436 38 W HA -0.095 4.565 4.660 -0.000 0.000 0.284 38 W C 1.701 178.250 176.519 0.050 0.000 1.225 38 W CA 1.139 58.505 57.345 0.034 0.000 1.271 38 W CB -0.046 29.427 29.460 0.021 0.000 1.114 38 W HN 0.319 nan 8.180 nan 0.000 0.559 39 I N -0.102 120.522 120.570 0.091 0.000 2.286 39 I HA -0.354 3.816 4.170 -0.000 0.000 0.248 39 I C 2.661 178.749 176.117 -0.048 0.000 1.115 39 I CA 1.315 62.590 61.300 -0.043 0.000 1.392 39 I CB -0.882 37.142 38.000 0.040 0.000 1.065 39 I HN 0.010 nan 8.210 nan 0.000 0.418 40 H N 1.334 120.367 119.070 -0.062 0.000 2.326 40 H HA -0.129 4.427 4.556 -0.000 0.000 0.301 40 H C 2.415 177.675 175.328 -0.114 0.000 1.081 40 H CA 2.064 58.073 56.048 -0.064 0.000 1.334 40 H CB -0.100 29.656 29.762 -0.011 0.000 1.385 40 H HN 0.343 nan 8.280 nan 0.000 0.504 41 S N 0.026 115.765 115.700 0.065 0.000 2.453 41 S HA -0.035 4.435 4.470 -0.000 0.000 0.231 41 S C 2.171 176.627 174.600 -0.240 0.000 1.005 41 S CA 0.624 58.785 58.200 -0.065 0.000 0.949 41 S CB -0.015 63.160 63.200 -0.041 0.000 0.774 41 S HN 0.358 nan 8.310 nan 0.000 0.510 42 R N 0.993 121.229 120.500 -0.441 0.000 2.127 42 R HA 0.067 4.407 4.340 -0.000 0.000 0.217 42 R C 2.525 178.650 176.300 -0.292 0.000 1.074 42 R CA 1.538 57.333 56.100 -0.510 0.000 0.991 42 R CB -0.347 29.505 30.300 -0.747 0.000 0.895 42 R HN 0.740 nan 8.270 nan 0.000 0.450 43 T N -4.483 109.941 114.554 -0.216 0.000 3.023 43 T HA 0.206 4.556 4.350 -0.000 0.000 0.249 43 T C 1.488 176.110 174.700 -0.130 0.000 1.050 43 T CA 0.520 62.515 62.100 -0.175 0.000 1.088 43 T CB 0.816 69.577 68.868 -0.178 0.000 0.946 43 T HN 0.294 nan 8.240 nan 0.000 0.480 44 G N 1.596 110.349 108.800 -0.078 0.000 2.143 44 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.249 44 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.249 44 G C -0.053 174.752 174.900 -0.158 0.000 0.981 44 G CA 0.250 45.323 45.100 -0.045 0.000 0.665 44 G HN 0.687 nan 8.290 nan 0.000 0.528 45 I N 0.234 120.653 120.570 -0.251 0.000 2.493 45 I HA 0.486 4.656 4.170 -0.000 0.000 0.298 45 I C 1.137 176.977 176.117 -0.461 0.000 0.998 45 I CA -0.651 60.481 61.300 -0.280 0.000 1.137 45 I CB 1.957 39.849 38.000 -0.179 0.000 1.310 45 I HN -0.018 nan 8.210 nan 0.000 0.445 46 S N 2.912 118.378 115.700 -0.389 0.000 2.545 46 S HA 0.115 4.585 4.470 -0.000 0.000 0.232 46 S C 0.120 174.628 174.600 -0.154 0.000 1.070 46 S CA 0.005 58.002 58.200 -0.338 0.000 0.923 46 S CB 0.308 63.362 63.200 -0.243 0.000 0.806 46 S HN 0.826 nan 8.310 nan 0.000 0.506 47 E N 0.836 120.954 120.200 -0.136 0.000 2.423 47 E HA 0.581 4.931 4.350 -0.000 0.000 0.280 47 E C -1.248 175.308 176.600 -0.073 0.000 1.030 47 E CA -1.183 55.169 56.400 -0.080 0.000 0.812 47 E CB 1.427 31.079 29.700 -0.079 0.000 1.313 47 E HN 0.082 nan 8.360 nan 0.000 0.456 48 R N 0.600 121.087 120.500 -0.021 0.000 2.734 48 R HA 0.510 4.850 4.340 -0.000 0.000 0.271 48 R C -1.329 174.997 176.300 0.042 0.000 1.021 48 R CA -1.005 55.109 56.100 0.023 0.000 0.893 48 R CB 1.022 31.369 30.300 0.079 0.000 1.244 48 R HN 0.498 nan 8.270 nan 0.000 0.464 49 R N 1.454 121.999 120.500 0.075 0.000 2.368 49 R HA 0.547 4.887 4.340 -0.000 0.000 0.302 49 R C -0.181 176.171 176.300 0.086 0.000 1.002 49 R CA -0.913 55.221 56.100 0.057 0.000 0.929 49 R CB 0.489 30.819 30.300 0.049 0.000 1.073 49 R HN 0.548 nan 8.270 nan 0.000 0.464 50 I N 3.227 123.828 120.570 0.052 0.000 2.533 50 I HA 0.170 4.340 4.170 -0.000 0.000 0.290 50 I C 0.422 176.555 176.117 0.027 0.000 1.056 50 I CA -1.240 60.096 61.300 0.060 0.000 1.057 50 I CB 1.781 39.783 38.000 0.005 0.000 1.240 50 I HN 0.300 nan 8.210 nan 0.000 0.423 51 V N 3.127 123.071 119.914 0.050 0.000 2.763 51 V HA 0.316 4.436 4.120 -0.000 0.000 0.306 51 V C 1.043 177.140 176.094 0.005 0.000 1.059 51 V CA 0.469 62.792 62.300 0.039 0.000 1.138 51 V CB 0.582 32.439 31.823 0.058 0.000 0.940 51 V HN 1.003 nan 8.190 nan 0.000 0.489 52 T N -0.187 114.369 114.554 0.005 0.000 2.959 52 T HA 0.265 4.615 4.350 -0.000 0.000 0.254 52 T C 1.051 175.749 174.700 -0.003 0.000 1.003 52 T CA 0.593 62.684 62.100 -0.014 0.000 0.950 52 T CB 0.171 69.028 68.868 -0.018 0.000 1.090 52 T HN 0.702 nan 8.240 nan 0.000 0.503 53 Q N -0.244 119.566 119.800 0.015 0.000 1.977 53 Q HA 0.271 4.611 4.340 -0.000 0.000 0.214 53 Q C -0.553 175.464 176.000 0.029 0.000 0.740 53 Q CA -0.100 55.713 55.803 0.018 0.000 0.893 53 Q CB 1.383 30.133 28.738 0.020 0.000 1.203 53 Q HN 0.508 nan 8.270 nan 0.000 0.436 54 E N 0.683 120.910 120.200 0.046 0.000 2.248 54 E HA 0.315 4.665 4.350 -0.000 0.000 0.272 54 E C -0.712 175.915 176.600 0.044 0.000 1.008 54 E CA -0.505 55.930 56.400 0.058 0.000 0.856 54 E CB 0.998 30.760 29.700 0.103 0.000 1.120 54 E HN -0.066 nan 8.360 nan 0.000 0.397 55 N N -0.405 118.317 118.700 0.036 0.000 2.531 55 N HA 0.205 4.945 4.740 -0.000 0.000 0.290 55 N C 0.504 176.033 175.510 0.031 0.000 1.257 55 N CA -0.328 52.730 53.050 0.013 0.000 0.863 55 N CB 1.450 39.926 38.487 -0.020 0.000 1.320 55 N HN 0.284 nan 8.380 nan 0.000 0.538 56 T N -0.064 114.498 114.554 0.013 0.000 2.649 56 T HA -0.209 4.141 4.350 -0.000 0.000 0.268 56 T C 1.786 176.512 174.700 0.042 0.000 1.036 56 T CA 2.500 64.615 62.100 0.025 0.000 1.157 56 T CB -0.510 68.356 68.868 -0.004 0.000 0.861 56 T HN 0.720 nan 8.240 nan 0.000 0.445 57 S N 1.822 117.547 115.700 0.041 0.000 2.382 57 S HA -0.176 4.294 4.470 -0.000 0.000 0.228 57 S C 1.671 176.315 174.600 0.072 0.000 1.027 57 S CA 1.249 59.481 58.200 0.052 0.000 0.991 57 S CB -0.455 62.778 63.200 0.055 0.000 0.823 57 S HN 0.440 nan 8.310 nan 0.000 0.469 58 D N 1.986 122.429 120.400 0.070 0.000 2.117 58 D HA 0.006 4.646 4.640 -0.000 0.000 0.198 58 D C 2.093 178.395 176.300 0.004 0.000 0.982 58 D CA 1.135 55.178 54.000 0.072 0.000 0.828 58 D CB -0.321 40.515 40.800 0.059 0.000 0.967 58 D HN 0.405 nan 8.370 nan 0.000 0.464 59 L N 0.530 121.788 121.223 0.058 0.000 2.017 59 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 59 L C 2.798 179.689 176.870 0.034 0.000 1.073 59 L CA 0.898 55.805 54.840 0.112 0.000 0.745 59 L CB -0.619 41.565 42.059 0.209 0.000 0.894 59 L HN 0.108 nan 8.230 nan 0.000 0.432 60 C N -1.063 118.268 119.300 0.052 0.000 2.422 60 C HA -0.173 4.287 4.460 -0.000 0.000 0.279 60 C C 2.800 177.817 174.990 0.045 0.000 1.305 60 C CA 0.734 59.778 59.018 0.044 0.000 1.757 60 C CB -1.221 26.546 27.740 0.046 0.000 1.962 60 C HN 0.571 nan 8.230 nan 0.000 0.499 61 H N 1.252 120.274 119.070 -0.081 0.000 2.321 61 H HA -0.105 4.451 4.556 -0.000 0.000 0.300 61 H C 2.209 177.446 175.328 -0.152 0.000 1.087 61 H CA 1.854 57.842 56.048 -0.101 0.000 1.319 61 H CB -0.396 29.309 29.762 -0.095 0.000 1.379 61 H HN 0.344 nan 8.280 nan 0.000 0.501 62 Q N 0.111 119.658 119.800 -0.421 0.000 2.124 62 Q HA -0.074 4.266 4.340 -0.000 0.000 0.202 62 Q C 2.771 178.613 176.000 -0.263 0.000 0.977 62 Q CA 1.254 56.716 55.803 -0.569 0.000 0.850 62 Q CB -0.675 27.394 28.738 -1.115 0.000 0.901 62 Q HN 0.404 nan 8.270 nan 0.000 0.429 63 V N 1.361 121.199 119.914 -0.127 0.000 2.287 63 V HA -0.282 3.838 4.120 -0.000 0.000 0.248 63 V C 2.415 178.492 176.094 -0.028 0.000 1.053 63 V CA 1.914 64.200 62.300 -0.023 0.000 1.027 63 V CB -1.176 30.658 31.823 0.018 0.000 0.646 63 V HN 0.346 nan 8.190 nan 0.000 0.447 64 A N -0.191 122.618 122.820 -0.017 0.000 1.877 64 A HA -0.285 4.035 4.320 -0.000 0.000 0.216 64 A C 2.358 179.933 177.584 -0.015 0.000 1.186 64 A CA 2.266 54.301 52.037 -0.004 0.000 0.620 64 A CB -0.548 18.468 19.000 0.026 0.000 0.822 64 A HN 0.543 nan 8.150 nan 0.000 0.443 65 K N -0.500 119.879 120.400 -0.035 0.000 2.103 65 K HA -0.218 4.101 4.320 -0.000 0.000 0.207 65 K C 2.147 178.711 176.600 -0.060 0.000 1.048 65 K CA 1.791 58.043 56.287 -0.058 0.000 0.930 65 K CB -0.192 32.202 32.500 -0.176 0.000 0.716 65 K HN 0.650 nan 8.250 nan 0.000 0.444 66 Q N 0.254 120.016 119.800 -0.064 0.000 2.123 66 Q HA -0.044 4.296 4.340 -0.000 0.000 0.199 66 Q C 2.191 178.178 176.000 -0.021 0.000 0.966 66 Q CA 1.009 56.790 55.803 -0.036 0.000 0.845 66 Q CB 0.061 28.788 28.738 -0.018 0.000 0.907 66 Q HN 0.308 nan 8.270 nan 0.000 0.439 67 L N -0.072 121.138 121.223 -0.020 0.000 2.093 67 L HA -0.192 4.148 4.340 -0.000 0.000 0.208 67 L C 2.046 178.902 176.870 -0.022 0.000 1.085 67 L CA 0.494 55.324 54.840 -0.017 0.000 0.755 67 L CB -0.211 41.837 42.059 -0.017 0.000 0.904 67 L HN 0.240 nan 8.230 nan 0.000 0.435 68 L N -0.275 120.933 121.223 -0.025 0.000 2.056 68 L HA -0.177 4.163 4.340 -0.000 0.000 0.207 68 L C 2.448 179.306 176.870 -0.020 0.000 1.078 68 L CA 1.714 56.538 54.840 -0.025 0.000 0.749 68 L CB -0.537 41.508 42.059 -0.023 0.000 0.901 68 L HN 0.215 nan 8.230 nan 0.000 0.433 69 E N -1.004 119.185 120.200 -0.019 0.000 2.072 69 E HA -0.197 4.153 4.350 -0.000 0.000 0.190 69 E C 2.133 178.726 176.600 -0.012 0.000 0.982 69 E CA 0.894 57.285 56.400 -0.015 0.000 0.803 69 E CB 0.001 29.690 29.700 -0.017 0.000 0.755 69 E HN 0.404 nan 8.360 nan 0.000 0.453 70 K N 0.580 120.973 120.400 -0.012 0.000 2.009 70 K HA -0.137 4.183 4.320 -0.000 0.000 0.210 70 K C 2.444 179.039 176.600 -0.009 0.000 1.049 70 K CA 1.761 58.043 56.287 -0.008 0.000 0.929 70 K CB -0.190 32.306 32.500 -0.007 0.000 0.714 70 K HN 0.093 nan 8.250 nan 0.000 0.440 71 S N -0.687 115.006 115.700 -0.012 0.000 2.461 71 S HA 0.031 4.501 4.470 -0.000 0.000 0.228 71 S C 1.524 176.117 174.600 -0.011 0.000 1.005 71 S CA 0.707 58.900 58.200 -0.012 0.000 0.942 71 S CB 0.093 63.282 63.200 -0.017 0.000 0.776 71 S HN 0.496 nan 8.310 nan 0.000 0.514 72 G N 1.091 109.884 108.800 -0.012 0.000 2.143 72 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.249 72 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.249 72 G C 0.033 174.926 174.900 -0.013 0.000 0.981 72 G CA 0.188 45.282 45.100 -0.010 0.000 0.665 72 G HN 0.479 nan 8.290 nan 0.000 0.528 73 K N 0.276 120.665 120.400 -0.018 0.000 2.168 73 K HA 0.357 4.677 4.320 -0.000 0.000 0.258 73 K C 0.636 177.222 176.600 -0.022 0.000 1.010 73 K CA -0.182 56.091 56.287 -0.023 0.000 0.929 73 K CB 0.540 33.019 32.500 -0.035 0.000 0.998 73 K HN 0.292 nan 8.250 nan 0.000 0.479 74 Q N 0.285 120.072 119.800 -0.022 0.000 2.230 74 Q HA 0.231 4.571 4.340 -0.000 0.000 0.253 74 Q C 0.823 176.806 176.000 -0.027 0.000 0.919 74 Q CA -0.227 55.565 55.803 -0.019 0.000 0.908 74 Q CB 1.644 30.373 28.738 -0.014 0.000 1.245 74 Q HN 0.725 nan 8.270 nan 0.000 0.437 75 A N 1.985 124.790 122.820 -0.024 0.000 2.024 75 A HA -0.195 4.125 4.320 -0.000 0.000 0.220 75 A C 1.910 179.473 177.584 -0.034 0.000 1.164 75 A CA 2.062 54.080 52.037 -0.032 0.000 0.643 75 A CB -0.375 18.611 19.000 -0.023 0.000 0.806 75 A HN 0.763 nan 8.150 nan 0.000 0.451 76 S N -0.132 115.555 115.700 -0.022 0.000 2.515 76 S HA -0.092 4.378 4.470 -0.000 0.000 0.231 76 S C 1.191 175.782 174.600 -0.016 0.000 0.987 76 S CA 1.092 59.283 58.200 -0.014 0.000 0.936 76 S CB -0.342 62.855 63.200 -0.006 0.000 0.766 76 S HN 0.721 nan 8.310 nan 0.000 0.528 77 E N 0.565 120.749 120.200 -0.028 0.000 2.479 77 E HA 0.179 4.529 4.350 -0.000 0.000 0.193 77 E C -0.282 176.282 176.600 -0.060 0.000 1.049 77 E CA -0.172 56.209 56.400 -0.030 0.000 0.870 77 E CB 0.108 29.791 29.700 -0.030 0.000 0.944 77 E HN 0.473 nan 8.360 nan 0.000 0.492 78 I N 2.378 122.896 120.570 -0.087 0.000 2.471 78 I HA -0.023 4.147 4.170 -0.000 0.000 0.286 78 I C 0.760 176.792 176.117 -0.141 0.000 1.079 78 I CA 0.277 61.479 61.300 -0.162 0.000 1.398 78 I CB 0.746 38.640 38.000 -0.177 0.000 1.403 78 I HN -0.056 nan 8.210 nan 0.000 0.530 79 D N 5.796 126.082 120.400 -0.190 0.000 2.277 79 D HA 0.064 4.704 4.640 -0.000 0.000 0.209 79 D C 0.042 176.223 176.300 -0.198 0.000 0.970 79 D CA 1.187 55.173 54.000 -0.023 0.000 0.874 79 D CB 0.352 41.288 40.800 0.226 0.000 0.982 79 D HN 0.494 nan 8.370 nan 0.000 0.504 80 F N -0.900 118.774 119.950 -0.461 0.000 2.665 80 F HA 0.554 5.081 4.527 -0.000 0.000 0.308 80 F C -1.631 173.861 175.800 -0.513 0.000 1.112 80 F CA -1.409 56.075 58.000 -0.860 0.000 0.972 80 F CB 1.002 39.218 39.000 -1.306 0.000 1.295 80 F HN -0.369 nan 8.300 nan 0.000 0.440 81 I N 4.113 124.518 120.570 -0.276 0.000 2.439 81 I HA 0.435 4.605 4.170 -0.000 0.000 0.285 81 I C -1.216 174.770 176.117 -0.217 0.000 1.021 81 I CA -0.640 60.543 61.300 -0.194 0.000 1.091 81 I CB 1.912 39.817 38.000 -0.158 0.000 1.242 81 I HN 0.542 nan 8.210 nan 0.000 0.439 82 L N 6.916 128.030 121.223 -0.182 0.000 2.333 82 L HA 0.664 5.004 4.340 -0.000 0.000 0.280 82 L C -0.733 176.043 176.870 -0.157 0.000 1.004 82 L CA -0.960 53.682 54.840 -0.331 0.000 0.820 82 L CB 2.149 44.011 42.059 -0.328 0.000 1.247 82 L HN 0.247 nan 8.230 nan 0.000 0.416 83 V N 2.243 122.069 119.914 -0.146 0.000 2.487 83 V HA 0.585 4.705 4.120 -0.000 0.000 0.298 83 V C 0.119 176.218 176.094 0.008 0.000 1.028 83 V CA -0.580 61.705 62.300 -0.026 0.000 0.860 83 V CB 1.853 33.670 31.823 -0.009 0.000 0.991 83 V HN 0.848 nan 8.190 nan 0.000 0.427 84 A N 3.490 126.353 122.820 0.072 0.000 2.252 84 A HA 0.818 5.137 4.320 -0.000 0.000 0.309 84 A C -0.006 177.619 177.584 0.069 0.000 1.285 84 A CA -0.214 51.874 52.037 0.086 0.000 0.900 84 A CB 0.972 20.063 19.000 0.153 0.000 1.157 84 A HN 0.859 nan 8.150 nan 0.000 0.536 85 T N 0.477 115.056 114.554 0.041 0.000 2.830 85 T HA 0.429 4.779 4.350 -0.000 0.000 0.322 85 T C -0.273 174.416 174.700 -0.018 0.000 1.501 85 T CA 0.341 62.447 62.100 0.011 0.000 1.036 85 T CB 1.274 70.141 68.868 -0.000 0.000 1.379 85 T HN 1.532 nan 8.240 nan 0.000 0.493 86 V N 0.436 120.303 119.914 -0.078 0.000 3.199 86 V HA 0.462 4.582 4.120 -0.000 0.000 0.331 86 V C 0.383 176.326 176.094 -0.251 0.000 1.446 86 V CA 0.433 62.664 62.300 -0.116 0.000 1.120 86 V CB 0.032 31.819 31.823 -0.060 0.000 1.051 86 V HN 1.014 nan 8.190 nan 0.000 0.495 87 T N -0.485 113.920 114.554 -0.250 0.000 3.741 87 T HA 0.449 4.799 4.350 -0.000 0.000 0.242 87 T C -2.557 172.053 174.700 -0.151 0.000 1.042 87 T CA -1.167 60.764 62.100 -0.280 0.000 1.278 87 T CB 0.838 69.458 68.868 -0.414 0.000 0.994 87 T HN 0.410 nan 8.240 nan 0.000 0.594 88 P HA 0.318 nan 4.420 nan 0.000 0.274 88 P C 0.005 177.262 177.300 -0.073 0.000 1.231 88 P CA -0.119 62.955 63.100 -0.044 0.000 0.790 88 P CB 1.205 32.906 31.700 0.001 0.000 0.951 89 D N 1.048 121.413 120.400 -0.059 0.000 2.106 89 D HA -0.114 4.526 4.640 -0.000 0.000 0.191 89 D C 0.483 176.527 176.300 -0.427 0.000 0.997 89 D CA 1.936 55.799 54.000 -0.229 0.000 0.834 89 D CB -0.449 40.279 40.800 -0.121 0.000 0.956 89 D HN 0.397 nan 8.370 nan 0.000 0.448 90 F N -0.998 118.937 119.950 -0.025 0.000 2.631 90 F HA 0.390 4.917 4.527 -0.000 0.000 0.328 90 F C 1.338 177.122 175.800 -0.027 0.000 1.067 90 F CA -1.068 56.916 58.000 -0.026 0.000 0.969 90 F CB 0.797 39.785 39.000 -0.020 0.000 1.332 90 F HN -0.363 nan 8.300 nan 0.000 0.490 91 N N 0.489 119.298 118.700 0.182 0.000 2.300 91 N HA 0.010 4.750 4.740 -0.000 0.000 0.179 91 N C -0.179 175.384 175.510 0.088 0.000 1.016 91 N CA 1.029 54.129 53.050 0.085 0.000 0.876 91 N CB 0.451 38.961 38.487 0.039 0.000 0.979 91 N HN 0.551 nan 8.380 nan 0.000 0.432 92 M N 1.151 120.815 119.600 0.108 0.000 2.277 92 M HA 0.352 4.832 4.480 -0.000 0.000 0.282 92 M C -2.845 173.401 176.300 -0.089 0.000 1.074 92 M CA -1.481 53.832 55.300 0.022 0.000 0.954 92 M CB 2.889 35.482 32.600 -0.011 0.000 1.672 92 M HN -0.226 nan 8.290 nan 0.000 0.471 93 P HA 0.244 nan 4.420 nan 0.000 0.275 93 P C -0.730 176.601 177.300 0.051 0.000 1.266 93 P CA -0.241 62.827 63.100 -0.054 0.000 0.793 93 P CB 0.634 32.274 31.700 -0.099 0.000 1.074 94 S N -1.047 114.687 115.700 0.056 0.000 2.632 94 S HA 0.152 4.622 4.470 -0.000 0.000 0.267 94 S C 1.389 176.033 174.600 0.074 0.000 1.276 94 S CA -0.740 57.508 58.200 0.080 0.000 0.998 94 S CB 0.426 63.684 63.200 0.096 0.000 0.953 94 S HN 0.210 nan 8.310 nan 0.000 0.547 95 V N 1.556 121.511 119.914 0.067 0.000 2.515 95 V HA -0.106 4.014 4.120 -0.000 0.000 0.250 95 V C 2.885 178.995 176.094 0.027 0.000 1.058 95 V CA 2.102 64.434 62.300 0.053 0.000 1.064 95 V CB -1.666 30.181 31.823 0.040 0.000 0.675 95 V HN 1.016 nan 8.190 nan 0.000 0.461 96 A N -1.137 121.695 122.820 0.019 0.000 1.940 96 A HA -0.272 4.048 4.320 -0.000 0.000 0.219 96 A C 2.328 179.911 177.584 -0.001 0.000 1.176 96 A CA 2.266 54.297 52.037 -0.009 0.000 0.631 96 A CB -1.043 17.935 19.000 -0.037 0.000 0.814 96 A HN 0.589 nan 8.150 nan 0.000 0.446 97 C N -0.927 118.387 119.300 0.023 0.000 2.457 97 C HA -0.069 4.391 4.460 -0.000 0.000 0.278 97 C C 2.865 177.847 174.990 -0.014 0.000 1.309 97 C CA 1.054 60.080 59.018 0.014 0.000 1.735 97 C CB -1.252 26.502 27.740 0.024 0.000 1.992 97 C HN 0.676 nan 8.230 nan 0.000 0.493 98 Q N 0.002 119.796 119.800 -0.009 0.000 2.167 98 Q HA -0.121 4.219 4.340 -0.000 0.000 0.202 98 Q C 2.267 178.221 176.000 -0.076 0.000 0.970 98 Q CA 1.284 57.069 55.803 -0.030 0.000 0.855 98 Q CB -0.180 28.564 28.738 0.011 0.000 0.911 98 Q HN 0.569 nan 8.270 nan 0.000 0.438 99 V N 1.016 120.896 119.914 -0.057 0.000 2.379 99 V HA -0.228 3.892 4.120 -0.000 0.000 0.245 99 V C 2.361 178.404 176.094 -0.085 0.000 1.044 99 V CA 1.557 63.812 62.300 -0.076 0.000 1.036 99 V CB -0.584 31.225 31.823 -0.023 0.000 0.664 99 V HN 0.380 nan 8.190 nan 0.000 0.453 100 Q N 0.590 120.354 119.800 -0.060 0.000 2.096 100 Q HA -0.202 4.138 4.340 -0.000 0.000 0.204 100 Q C 2.190 178.153 176.000 -0.061 0.000 0.982 100 Q CA 2.303 58.073 55.803 -0.054 0.000 0.850 100 Q CB -0.437 28.281 28.738 -0.033 0.000 0.901 100 Q HN 0.647 nan 8.270 nan 0.000 0.422 101 G N -0.078 108.679 108.800 -0.071 0.000 2.408 101 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.215 101 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.215 101 G C 1.516 176.345 174.900 -0.117 0.000 1.156 101 G CA 0.809 45.863 45.100 -0.077 0.000 0.793 101 G HN 0.480 nan 8.290 nan 0.000 0.535 102 A N 1.470 124.170 122.820 -0.200 0.000 1.877 102 A HA -0.020 4.300 4.320 -0.000 0.000 0.216 102 A C 2.346 179.790 177.584 -0.233 0.000 1.186 102 A CA 1.592 53.411 52.037 -0.363 0.000 0.620 102 A CB -0.450 18.051 19.000 -0.831 0.000 0.822 102 A HN 0.753 nan 8.150 nan 0.000 0.443 103 I N -4.266 116.227 120.570 -0.128 0.000 3.793 103 I HA 0.430 4.600 4.170 -0.000 0.000 0.315 103 I C 1.178 177.281 176.117 -0.023 0.000 1.275 103 I CA 0.600 61.893 61.300 -0.012 0.000 1.214 103 I CB -0.346 37.668 38.000 0.024 0.000 1.018 103 I HN 0.394 nan 8.210 nan 0.000 0.439 104 G N 2.102 110.876 108.800 -0.042 0.000 2.198 104 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.257 104 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.257 104 G C 0.467 175.351 174.900 -0.026 0.000 1.042 104 G CA 0.087 45.169 45.100 -0.030 0.000 0.791 104 G HN 0.891 nan 8.290 nan 0.000 0.502 105 A N 0.760 123.559 122.820 -0.034 0.000 3.077 105 A HA 0.587 4.907 4.320 -0.000 0.000 0.255 105 A C 1.943 179.514 177.584 -0.021 0.000 1.728 105 A CA 1.372 53.387 52.037 -0.037 0.000 1.383 105 A CB -0.680 18.284 19.000 -0.060 0.000 1.097 105 A HN 1.595 nan 8.150 nan 0.000 0.634 106 T N -1.659 112.890 114.554 -0.009 0.000 2.869 106 T HA -0.146 4.204 4.350 -0.000 0.000 0.270 106 T C 0.841 175.555 174.700 0.025 0.000 1.082 106 T CA 1.744 63.848 62.100 0.006 0.000 1.123 106 T CB -0.158 68.713 68.868 0.006 0.000 0.856 106 T HN 0.466 nan 8.240 nan 0.000 0.499 107 E N 1.258 121.472 120.200 0.023 0.000 2.463 107 E HA 0.503 4.853 4.350 -0.000 0.000 0.193 107 E C 0.471 177.113 176.600 0.070 0.000 1.041 107 E CA 0.053 56.484 56.400 0.052 0.000 0.879 107 E CB 0.322 30.049 29.700 0.045 0.000 0.997 107 E HN 0.755 nan 8.360 nan 0.000 0.478 108 A N 1.157 123.993 122.820 0.027 0.000 2.324 108 A HA 0.605 4.925 4.320 -0.000 0.000 0.330 108 A C -0.289 177.321 177.584 0.044 0.000 1.165 108 A CA -0.766 51.256 52.037 -0.025 0.000 0.813 108 A CB 0.351 19.271 19.000 -0.134 0.000 1.197 108 A HN 0.127 nan 8.150 nan 0.000 0.484 109 F N 0.530 120.516 119.950 0.060 0.000 2.403 109 F HA 0.881 5.408 4.527 -0.000 0.000 0.326 109 F C 0.098 175.952 175.800 0.089 0.000 1.081 109 F CA -0.847 57.193 58.000 0.066 0.000 1.041 109 F CB 1.233 40.266 39.000 0.054 0.000 1.234 109 F HN 0.789 nan 8.300 nan 0.000 0.503 110 A N 2.508 125.515 122.820 0.311 0.000 2.594 110 A HA 0.848 5.168 4.320 -0.000 0.000 0.295 110 A C -1.661 176.124 177.584 0.334 0.000 1.071 110 A CA -0.597 51.532 52.037 0.155 0.000 0.685 110 A CB 1.259 20.263 19.000 0.007 0.000 1.285 110 A HN 1.415 nan 8.150 nan 0.000 0.405 111 F N -0.704 119.296 119.950 0.084 0.000 2.741 111 F HA 0.740 5.267 4.527 -0.000 0.000 0.311 111 F C -1.525 174.306 175.800 0.051 0.000 1.149 111 F CA -1.056 56.985 58.000 0.068 0.000 0.930 111 F CB 0.774 39.820 39.000 0.078 0.000 1.312 111 F HN 0.382 nan 8.300 nan 0.000 0.450 112 D N 1.722 122.252 120.400 0.216 0.000 2.268 112 D HA 0.622 5.262 4.640 -0.000 0.000 0.249 112 D C -0.526 175.908 176.300 0.224 0.000 1.008 112 D CA -0.049 54.014 54.000 0.105 0.000 0.939 112 D CB 2.462 43.315 40.800 0.087 0.000 1.170 112 D HN 0.593 nan 8.370 nan 0.000 0.468 113 I N 0.466 121.114 120.570 0.130 0.000 2.465 113 I HA 0.166 4.336 4.170 -0.000 0.000 0.291 113 I C -0.158 176.017 176.117 0.097 0.000 1.014 113 I CA -0.630 60.772 61.300 0.169 0.000 1.093 113 I CB 1.973 40.072 38.000 0.165 0.000 1.267 113 I HN 0.100 nan 8.210 nan 0.000 0.431 114 S N 5.027 120.776 115.700 0.083 0.000 2.532 114 S HA 0.708 5.178 4.470 -0.000 0.000 0.318 114 S C 0.011 174.609 174.600 -0.004 0.000 1.083 114 S CA -0.250 57.970 58.200 0.033 0.000 1.131 114 S CB 0.653 63.867 63.200 0.023 0.000 0.973 114 S HN 0.734 nan 8.310 nan 0.000 0.468 115 A N 3.724 126.507 122.820 -0.062 0.000 2.709 115 A HA 0.738 5.058 4.320 -0.000 0.000 0.241 115 A C 0.579 178.067 177.584 -0.161 0.000 0.879 115 A CA 0.156 52.067 52.037 -0.210 0.000 1.120 115 A CB -0.657 18.011 19.000 -0.553 0.000 1.226 115 A HN 2.075 nan 8.150 nan 0.000 0.468 119 G N 1.552 110.305 108.800 -0.079 0.000 2.556 119 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.220 119 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.220 119 G C 1.058 176.054 174.900 0.160 0.000 1.156 119 G CA 1.601 46.715 45.100 0.024 0.000 0.766 119 G HN 0.461 nan 8.290 nan 0.000 0.583 120 F N 0.975 120.953 119.950 0.047 0.000 2.146 120 F HA -0.018 4.509 4.527 -0.000 0.000 0.298 120 F C 2.753 178.632 175.800 0.132 0.000 1.096 120 F CA 1.179 59.224 58.000 0.076 0.000 1.275 120 F CB -0.340 38.694 39.000 0.057 0.000 1.008 120 F HN 0.016 nan 8.300 nan 0.000 0.480 121 V N -0.724 119.299 119.914 0.182 0.000 2.295 121 V HA -0.316 3.804 4.120 -0.000 0.000 0.246 121 V C 2.156 178.348 176.094 0.163 0.000 1.049 121 V CA 1.901 64.292 62.300 0.152 0.000 1.024 121 V CB -0.966 31.020 31.823 0.272 0.000 0.648 121 V HN 0.306 nan 8.190 nan 0.000 0.447 122 Y N 0.729 121.031 120.300 0.005 0.000 2.145 122 Y HA -0.203 4.347 4.550 -0.000 0.000 0.286 122 Y C 2.541 178.411 175.900 -0.050 0.000 1.145 122 Y CA 1.179 59.277 58.100 -0.004 0.000 1.148 122 Y CB -1.146 37.329 38.460 0.026 0.000 0.981 122 Y HN 0.198 nan 8.280 nan 0.000 0.507 123 A N -0.703 122.165 122.820 0.080 0.000 1.933 123 A HA -0.163 4.157 4.320 -0.000 0.000 0.218 123 A C 2.210 179.704 177.584 -0.151 0.000 1.175 123 A CA 1.492 53.500 52.037 -0.048 0.000 0.628 123 A CB -1.011 17.943 19.000 -0.077 0.000 0.814 123 A HN 0.364 nan 8.150 nan 0.000 0.444 124 L N -0.212 120.863 121.223 -0.247 0.000 2.046 124 L HA -0.106 4.234 4.340 -0.000 0.000 0.208 124 L C 2.803 179.576 176.870 -0.163 0.000 1.077 124 L CA 2.233 56.933 54.840 -0.233 0.000 0.747 124 L CB -0.815 41.104 42.059 -0.234 0.000 0.896 124 L HN 0.437 nan 8.230 nan 0.000 0.432 125 S N -1.536 114.107 115.700 -0.095 0.000 2.368 125 S HA -0.213 4.257 4.470 -0.000 0.000 0.225 125 S C 2.088 176.603 174.600 -0.142 0.000 1.030 125 S CA 1.222 59.361 58.200 -0.102 0.000 0.999 125 S CB -0.103 63.037 63.200 -0.101 0.000 0.844 125 S HN 0.289 nan 8.310 nan 0.000 0.459 126 M N 1.520 121.049 119.600 -0.117 0.000 2.067 126 M HA 0.033 4.513 4.480 -0.000 0.000 0.260 126 M C 2.558 178.746 176.300 -0.187 0.000 1.069 126 M CA 1.715 56.951 55.300 -0.106 0.000 1.117 126 M CB -1.988 30.590 32.600 -0.036 0.000 1.334 126 M HN 0.486 nan 8.290 nan 0.000 0.407 127 A N -0.470 122.222 122.820 -0.213 0.000 1.940 127 A HA -0.195 4.125 4.320 -0.000 0.000 0.219 127 A C 2.194 179.649 177.584 -0.215 0.000 1.176 127 A CA 1.842 53.745 52.037 -0.224 0.000 0.631 127 A CB -0.716 18.290 19.000 0.010 0.000 0.814 127 A HN 0.539 nan 8.150 nan 0.000 0.446 128 E N 0.163 120.165 120.200 -0.330 0.000 2.077 128 E HA -0.221 4.129 4.350 -0.000 0.000 0.193 128 E C 1.831 178.327 176.600 -0.173 0.000 0.989 128 E CA 1.552 57.722 56.400 -0.382 0.000 0.800 128 E CB -0.113 29.264 29.700 -0.538 0.000 0.746 128 E HN 0.409 nan 8.360 nan 0.000 0.452 129 K N 0.521 120.835 120.400 -0.142 0.000 2.057 129 K HA -0.023 4.297 4.320 -0.000 0.000 0.206 129 K C 2.237 178.805 176.600 -0.054 0.000 1.050 129 K CA 0.651 56.890 56.287 -0.081 0.000 0.935 129 K CB -0.501 31.954 32.500 -0.074 0.000 0.715 129 K HN 0.152 nan 8.250 nan 0.000 0.439 130 L N -0.135 121.031 121.223 -0.095 0.000 2.046 130 L HA -0.171 4.169 4.340 -0.000 0.000 0.208 130 L C 2.014 178.952 176.870 0.112 0.000 1.077 130 L CA 0.882 55.706 54.840 -0.027 0.000 0.747 130 L CB -0.330 41.491 42.059 -0.397 0.000 0.896 130 L HN -0.042 nan 8.230 nan 0.000 0.432 131 V N -0.528 119.424 119.914 0.062 0.000 2.591 131 V HA -0.221 3.899 4.120 -0.000 0.000 0.249 131 V C 2.311 178.420 176.094 0.025 0.000 1.053 131 V CA 1.047 63.414 62.300 0.111 0.000 1.068 131 V CB -0.158 31.733 31.823 0.114 0.000 0.689 131 V HN 0.338 nan 8.190 nan 0.000 0.462 132 L N 0.947 122.163 121.223 -0.011 0.000 2.042 132 L HA -0.198 4.142 4.340 -0.000 0.000 0.210 132 L C 2.827 179.666 176.870 -0.051 0.000 1.076 132 L CA 2.112 56.924 54.840 -0.045 0.000 0.749 132 L CB -0.527 41.515 42.059 -0.027 0.000 0.893 132 L HN 0.625 nan 8.230 nan 0.000 0.432 133 S N -0.589 115.097 115.700 -0.023 0.000 2.420 133 S HA -0.171 4.299 4.470 -0.000 0.000 0.237 133 S C 1.656 176.215 174.600 -0.069 0.000 1.023 133 S CA 1.293 59.472 58.200 -0.035 0.000 0.991 133 S CB -0.414 62.782 63.200 -0.005 0.000 0.792 133 S HN 0.682 nan 8.310 nan 0.000 0.488 134 G N 1.121 109.881 108.800 -0.068 0.000 2.199 134 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.254 134 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.254 134 G C 0.986 175.800 174.900 -0.143 0.000 0.982 134 G CA 0.385 45.432 45.100 -0.089 0.000 0.632 134 G HN 0.558 nan 8.290 nan 0.000 0.529 135 R N -0.958 119.387 120.500 -0.258 0.000 2.119 135 R HA 0.228 4.568 4.340 -0.000 0.000 0.222 135 R C 0.231 176.099 176.300 -0.720 0.000 1.088 135 R CA 1.058 56.812 56.100 -0.575 0.000 0.984 135 R CB 0.064 29.820 30.300 -0.907 0.000 0.884 135 R HN 0.511 nan 8.270 nan 0.000 0.447 136 Y N -1.106 119.274 120.300 0.134 0.000 2.462 136 Y HA 0.245 4.795 4.550 -0.000 0.000 0.346 136 Y C 0.476 176.496 175.900 0.201 0.000 0.976 136 Y CA -0.962 57.274 58.100 0.227 0.000 1.044 136 Y CB 2.026 40.729 38.460 0.406 0.000 1.230 136 Y HN -0.281 nan 8.280 nan 0.000 0.455 137 Q N 0.049 120.019 119.800 0.283 0.000 2.404 137 Q HA 0.226 4.566 4.340 -0.000 0.000 0.262 137 Q C -0.403 175.645 176.000 0.079 0.000 0.846 137 Q CA 0.537 56.435 55.803 0.158 0.000 0.978 137 Q CB 1.198 29.983 28.738 0.079 0.000 1.156 137 Q HN 0.633 nan 8.270 nan 0.000 0.548 138 T N 0.418 114.957 114.554 -0.025 0.000 2.809 138 T HA 0.785 5.135 4.350 -0.000 0.000 0.284 138 T C -0.310 174.011 174.700 -0.632 0.000 0.992 138 T CA -0.396 61.576 62.100 -0.213 0.000 0.957 138 T CB 1.504 70.290 68.868 -0.137 0.000 0.942 138 T HN 0.251 nan 8.240 nan 0.000 0.439 139 G N 1.714 110.015 108.800 -0.832 0.000 2.694 139 G HA2 0.728 4.688 3.960 -0.000 0.000 0.290 139 G HA3 0.728 4.688 3.960 -0.000 0.000 0.290 139 G C -1.826 172.726 174.900 -0.580 0.000 1.386 139 G CA -0.829 43.463 45.100 -1.347 0.000 0.872 139 G HN 0.679 nan 8.290 nan 0.000 0.475 140 L N 0.557 121.521 121.223 -0.430 0.000 2.356 140 L HA 0.571 4.911 4.340 -0.000 0.000 0.277 140 L C -0.722 176.106 176.870 -0.071 0.000 0.996 140 L CA -1.046 53.691 54.840 -0.172 0.000 0.822 140 L CB 2.217 44.195 42.059 -0.135 0.000 1.256 140 L HN 0.190 nan 8.230 nan 0.000 0.413 141 V N 5.133 125.062 119.914 0.026 0.000 2.350 141 V HA 0.490 4.610 4.120 -0.000 0.000 0.285 141 V C -0.069 176.170 176.094 0.242 0.000 1.014 141 V CA -0.224 62.124 62.300 0.081 0.000 0.831 141 V CB 1.733 33.563 31.823 0.013 0.000 1.000 141 V HN 0.521 nan 8.190 nan 0.000 0.433 142 I N 3.588 124.271 120.570 0.189 0.000 2.509 142 I HA 0.696 4.866 4.170 -0.000 0.000 0.293 142 I C 0.621 176.865 176.117 0.211 0.000 1.020 142 I CA -0.527 60.890 61.300 0.195 0.000 1.088 142 I CB 2.229 40.276 38.000 0.079 0.000 1.267 142 I HN 0.663 nan 8.210 nan 0.000 0.430 143 G N 3.386 112.283 108.800 0.160 0.000 2.422 143 G HA2 0.698 4.658 3.960 -0.000 0.000 0.317 143 G HA3 0.698 4.658 3.960 -0.000 0.000 0.317 143 G C -0.580 174.338 174.900 0.030 0.000 1.210 143 G CA -0.592 44.580 45.100 0.120 0.000 0.930 143 G HN 0.854 nan 8.290 nan 0.000 0.468 144 G N 1.298 110.128 108.800 0.051 0.000 2.719 144 G HA2 0.687 4.647 3.960 -0.000 0.000 0.298 144 G HA3 0.687 4.647 3.960 -0.000 0.000 0.298 144 G C -1.225 173.702 174.900 0.046 0.000 1.411 144 G CA -0.597 44.530 45.100 0.045 0.000 0.991 144 G HN 0.472 nan 8.290 nan 0.000 0.509 145 E N 0.318 120.556 120.200 0.063 0.000 2.390 145 E HA 0.512 4.862 4.350 -0.000 0.000 0.277 145 E C -1.012 175.631 176.600 0.071 0.000 0.939 145 E CA -0.905 55.523 56.400 0.046 0.000 0.769 145 E CB 2.191 31.972 29.700 0.135 0.000 1.251 145 E HN 0.623 nan 8.360 nan 0.000 0.450 146 T N -1.321 113.239 114.554 0.010 0.000 3.504 146 T HA 0.295 4.645 4.350 -0.000 0.000 0.286 146 T C 0.282 175.008 174.700 0.044 0.000 1.530 146 T CA -0.466 61.670 62.100 0.061 0.000 1.652 146 T CB -0.747 68.140 68.868 0.030 0.000 0.895 146 T HN 0.216 nan 8.240 nan 0.000 0.674 147 F N 2.470 122.452 119.950 0.054 0.000 2.451 147 F HA -0.043 4.484 4.527 -0.000 0.000 0.299 147 F C 2.617 178.441 175.800 0.040 0.000 1.101 147 F CA 1.143 59.130 58.000 -0.020 0.000 1.436 147 F CB -0.090 38.833 39.000 -0.129 0.000 1.074 147 F HN 0.603 nan 8.300 nan 0.000 0.553 148 S N 0.336 116.253 115.700 0.362 0.000 2.465 148 S HA -0.252 4.218 4.470 -0.000 0.000 0.241 148 S C 1.748 176.626 174.600 0.463 0.000 1.000 148 S CA 1.284 59.803 58.200 0.532 0.000 0.964 148 S CB -0.752 62.736 63.200 0.479 0.000 0.763 148 S HN 0.668 nan 8.310 nan 0.000 0.512 149 K N -0.149 120.393 120.400 0.235 0.000 2.404 149 K HA 0.240 4.560 4.320 -0.000 0.000 0.194 149 K C 1.043 177.716 176.600 0.121 0.000 1.023 149 K CA 0.067 56.450 56.287 0.160 0.000 1.094 149 K CB -0.033 32.498 32.500 0.052 0.000 0.841 149 K HN 0.314 nan 8.250 nan 0.000 0.523 150 M N 1.484 121.155 119.600 0.119 0.000 2.404 150 M HA 0.328 4.808 4.480 -0.000 0.000 0.271 150 M C -0.370 175.959 176.300 0.048 0.000 1.128 150 M CA -0.011 55.337 55.300 0.080 0.000 0.982 150 M CB -0.088 32.563 32.600 0.085 0.000 1.445 150 M HN 0.078 nan 8.290 nan 0.000 0.495 151 L N -0.008 121.218 121.223 0.005 0.000 2.333 151 L HA 0.458 4.798 4.340 -0.000 0.000 0.269 151 L C -0.091 176.644 176.870 -0.224 0.000 1.010 151 L CA -0.878 53.817 54.840 -0.241 0.000 0.818 151 L CB 1.881 43.559 42.059 -0.634 0.000 1.306 151 L HN -0.082 nan 8.230 nan 0.000 0.430 152 D N 0.728 120.990 120.400 -0.230 0.000 2.411 152 D HA 0.118 4.758 4.640 -0.000 0.000 0.225 152 D C -0.125 176.078 176.300 -0.162 0.000 1.156 152 D CA -0.269 53.679 54.000 -0.087 0.000 0.874 152 D CB 0.508 41.283 40.800 -0.043 0.000 1.034 152 D HN 0.270 nan 8.370 nan 0.000 0.502 153 W N 2.739 124.063 121.300 0.040 0.000 3.435 153 W HA 0.086 4.746 4.660 -0.000 0.000 0.303 153 W C 1.731 178.272 176.519 0.036 0.000 1.297 153 W CA 0.329 57.699 57.345 0.041 0.000 1.638 153 W CB -0.089 29.393 29.460 0.036 0.000 1.015 153 W HN 0.480 nan 8.180 nan 0.000 0.760 154 T N -5.439 109.199 114.554 0.140 0.000 2.987 154 T HA 0.014 4.364 4.350 -0.000 0.000 0.248 154 T C 0.396 175.133 174.700 0.061 0.000 0.997 154 T CA -0.081 62.084 62.100 0.107 0.000 1.013 154 T CB -0.119 68.802 68.868 0.088 0.000 1.077 154 T HN -0.099 nan 8.240 nan 0.000 0.483 155 D N 2.978 123.390 120.400 0.020 0.000 2.359 155 D HA 0.110 4.750 4.640 -0.000 0.000 0.250 155 D C 1.409 177.703 176.300 -0.009 0.000 1.264 155 D CA -0.580 53.421 54.000 0.002 0.000 0.911 155 D CB 0.650 41.437 40.800 -0.021 0.000 1.056 155 D HN 0.373 nan 8.370 nan 0.000 0.499 156 R N 2.143 122.658 120.500 0.024 0.000 2.340 156 R HA 0.012 4.352 4.340 -0.000 0.000 0.215 156 R C 0.420 176.724 176.300 0.006 0.000 1.017 156 R CA 0.155 56.273 56.100 0.029 0.000 1.111 156 R CB -0.544 29.800 30.300 0.072 0.000 1.049 156 R HN 0.325 nan 8.270 nan 0.000 0.490 157 S N -1.003 114.693 115.700 -0.006 0.000 2.539 157 S HA 0.044 4.514 4.470 -0.000 0.000 0.221 157 S C 1.168 175.752 174.600 -0.026 0.000 0.987 157 S CA 0.237 58.427 58.200 -0.017 0.000 0.929 157 S CB 0.592 63.793 63.200 0.001 0.000 0.832 157 S HN 0.482 nan 8.310 nan 0.000 0.492 158 T N -2.962 111.574 114.554 -0.031 0.000 3.525 158 T HA 0.434 4.784 4.350 -0.000 0.000 0.286 158 T C 1.943 176.645 174.700 0.004 0.000 0.944 158 T CA 0.574 62.686 62.100 0.019 0.000 1.063 158 T CB -0.799 68.084 68.868 0.025 0.000 1.179 158 T HN 0.300 nan 8.240 nan 0.000 0.493 159 A N 2.464 125.180 122.820 -0.174 0.000 1.892 159 A HA -0.018 4.302 4.320 -0.000 0.000 0.218 159 A C 2.528 179.976 177.584 -0.226 0.000 1.188 159 A CA 2.668 54.434 52.037 -0.452 0.000 0.631 159 A CB -1.469 17.140 19.000 -0.652 0.000 0.822 159 A HN 1.264 nan 8.150 nan 0.000 0.447 160 V N -2.419 117.451 119.914 -0.073 0.000 3.026 160 V HA -0.112 4.008 4.120 -0.000 0.000 0.265 160 V C 2.044 178.104 176.094 -0.057 0.000 1.121 160 V CA 1.828 64.127 62.300 -0.002 0.000 1.142 160 V CB -0.797 31.018 31.823 -0.014 0.000 0.730 160 V HN 0.474 nan 8.190 nan 0.000 0.503 161 L N -1.518 119.629 121.223 -0.125 0.000 2.209 161 L HA 0.278 4.618 4.340 -0.000 0.000 0.207 161 L C 0.809 177.379 176.870 -0.500 0.000 1.094 161 L CA 0.611 55.236 54.840 -0.359 0.000 0.790 161 L CB 0.132 41.850 42.059 -0.569 0.000 0.932 161 L HN 0.327 nan 8.230 nan 0.000 0.447 162 F N -0.869 119.034 119.950 -0.079 0.000 2.422 162 F HA 0.560 5.087 4.527 -0.000 0.000 0.333 162 F C 0.785 176.645 175.800 0.101 0.000 1.095 162 F CA -0.713 57.278 58.000 -0.016 0.000 1.038 162 F CB 1.196 40.151 39.000 -0.074 0.000 1.156 162 F HN -0.245 nan 8.300 nan 0.000 0.483 163 G N 0.790 109.759 108.800 0.282 0.000 2.537 163 G HA2 0.537 4.497 3.960 -0.000 0.000 0.308 163 G HA3 0.537 4.497 3.960 -0.000 0.000 0.308 163 G C -1.644 173.412 174.900 0.260 0.000 1.237 163 G CA -0.694 44.554 45.100 0.248 0.000 0.968 163 G HN 0.427 nan 8.290 nan 0.000 0.481 164 D N -0.881 119.646 120.400 0.212 0.000 2.268 164 D HA 0.742 5.382 4.640 -0.000 0.000 0.249 164 D C 0.549 176.921 176.300 0.119 0.000 1.008 164 D CA 0.541 54.648 54.000 0.178 0.000 0.939 164 D CB 1.857 42.749 40.800 0.154 0.000 1.170 164 D HN 0.885 nan 8.370 nan 0.000 0.468 165 G N -1.238 107.620 108.800 0.097 0.000 2.336 165 G HA2 0.587 4.547 3.960 -0.000 0.000 0.300 165 G HA3 0.587 4.547 3.960 -0.000 0.000 0.300 165 G C -1.985 172.943 174.900 0.047 0.000 1.375 165 G CA -0.137 44.992 45.100 0.048 0.000 0.885 165 G HN 0.643 nan 8.290 nan 0.000 0.599 166 A N -1.121 121.720 122.820 0.035 0.000 2.594 166 A HA 1.182 5.502 4.320 -0.000 0.000 0.295 166 A C -0.235 177.335 177.584 -0.024 0.000 1.071 166 A CA 0.362 52.413 52.037 0.023 0.000 0.685 166 A CB 1.424 20.473 19.000 0.083 0.000 1.285 166 A HN 2.690 nan 8.150 nan 0.000 0.405 167 A N -0.205 122.565 122.820 -0.083 0.000 2.612 167 A HA 0.989 5.309 4.320 -0.000 0.000 0.293 167 A C -0.173 177.331 177.584 -0.133 0.000 1.075 167 A CA 0.061 52.024 52.037 -0.123 0.000 0.680 167 A CB 1.177 20.045 19.000 -0.220 0.000 1.279 167 A HN 2.600 nan 8.150 nan 0.000 0.411 168 G N -1.315 107.446 108.800 -0.064 0.000 2.634 168 G HA2 0.819 4.779 3.960 -0.000 0.000 0.309 168 G HA3 0.819 4.779 3.960 -0.000 0.000 0.309 168 G C -0.970 173.998 174.900 0.115 0.000 1.299 168 G CA 0.351 45.494 45.100 0.073 0.000 0.798 168 G HN 2.218 nan 8.290 nan 0.000 0.490 169 V N -2.538 117.487 119.914 0.184 0.000 3.159 169 V HA 0.866 4.986 4.120 -0.000 0.000 0.308 169 V C -1.257 174.876 176.094 0.065 0.000 1.190 169 V CA -1.158 61.221 62.300 0.131 0.000 1.037 169 V CB 1.690 33.634 31.823 0.202 0.000 1.060 169 V HN 1.257 nan 8.190 nan 0.000 0.437 170 L N 2.787 124.027 121.223 0.029 0.000 2.275 170 L HA 0.703 5.043 4.340 -0.000 0.000 0.288 170 L C -0.606 176.261 176.870 -0.005 0.000 1.046 170 L CA -0.077 54.752 54.840 -0.018 0.000 0.805 170 L CB 0.638 42.681 42.059 -0.026 0.000 1.193 170 L HN 0.694 nan 8.230 nan 0.000 0.426 171 I N 5.292 125.837 120.570 -0.041 0.000 2.404 171 I HA 0.462 4.632 4.170 -0.000 0.000 0.293 171 I C -0.453 175.648 176.117 -0.026 0.000 0.992 171 I CA -0.478 60.824 61.300 0.003 0.000 1.149 171 I CB 1.711 39.734 38.000 0.039 0.000 1.315 171 I HN 0.749 nan 8.210 nan 0.000 0.446 172 E N 5.116 125.334 120.200 0.030 0.000 2.429 172 E HA 0.694 5.044 4.350 -0.000 0.000 0.276 172 E C -1.307 175.346 176.600 0.090 0.000 0.953 172 E CA -1.217 55.204 56.400 0.035 0.000 0.787 172 E CB 1.821 31.530 29.700 0.014 0.000 1.307 172 E HN 0.527 nan 8.360 nan 0.000 0.458 173 A N 1.130 124.004 122.820 0.090 0.000 2.444 173 A HA 0.534 4.854 4.320 -0.000 0.000 0.273 173 A C 0.078 177.746 177.584 0.140 0.000 1.136 173 A CA 0.303 52.408 52.037 0.113 0.000 0.799 173 A CB -0.201 18.845 19.000 0.076 0.000 1.081 173 A HN 0.655 nan 8.150 nan 0.000 0.509 174 A N 1.726 124.680 122.820 0.223 0.000 2.269 174 A HA 0.591 4.911 4.320 -0.000 0.000 0.327 174 A C 0.892 178.650 177.584 0.290 0.000 1.112 174 A CA -0.090 52.106 52.037 0.266 0.000 0.865 174 A CB 0.654 19.895 19.000 0.401 0.000 1.227 174 A HN 0.906 nan 8.150 nan 0.000 0.498 175 E N -0.753 119.593 120.200 0.243 0.000 2.250 175 E HA 0.001 4.351 4.350 -0.000 0.000 0.192 175 E C 0.400 177.190 176.600 0.317 0.000 0.986 175 E CA 1.151 57.692 56.400 0.236 0.000 0.849 175 E CB 0.177 29.958 29.700 0.136 0.000 0.797 175 E HN 0.794 nan 8.360 nan 0.000 0.482 176 T N -0.156 114.490 114.554 0.154 0.000 2.885 176 T HA 0.450 4.800 4.350 -0.000 0.000 0.285 176 T C -2.719 171.725 174.700 -0.427 0.000 1.019 176 T CA -2.297 59.712 62.100 -0.152 0.000 1.010 176 T CB 1.852 70.614 68.868 -0.176 0.000 1.022 176 T HN -0.164 nan 8.240 nan 0.000 0.466 177 P HA 0.180 nan 4.420 nan 0.000 0.269 177 P C -0.199 176.848 177.300 -0.421 0.000 1.209 177 P CA -0.063 62.628 63.100 -0.681 0.000 0.776 177 P CB 0.778 32.049 31.700 -0.716 0.000 0.876 178 H N 0.735 119.813 119.070 0.012 0.000 2.824 178 H HA 0.207 4.763 4.556 -0.000 0.000 0.238 178 H C 0.228 175.476 175.328 -0.133 0.000 0.931 178 H CA 0.250 56.275 56.048 -0.038 0.000 1.090 178 H CB 0.059 29.824 29.762 0.004 0.000 1.433 178 H HN 0.318 nan 8.280 nan 0.000 0.437 179 F N 2.475 122.500 119.950 0.126 0.000 2.462 179 F HA 0.034 4.561 4.527 -0.000 0.000 0.354 179 F C 1.055 176.877 175.800 0.037 0.000 1.192 179 F CA -0.399 57.650 58.000 0.081 0.000 1.173 179 F CB 0.735 39.789 39.000 0.090 0.000 1.402 179 F HN -0.054 nan 8.300 nan 0.000 0.595 180 L N 1.668 122.935 121.223 0.072 0.000 2.095 180 L HA 0.013 4.353 4.340 -0.000 0.000 0.204 180 L C 0.884 177.790 176.870 0.060 0.000 1.080 180 L CA 1.258 56.122 54.840 0.039 0.000 0.759 180 L CB -0.791 41.263 42.059 -0.008 0.000 0.914 180 L HN 0.528 nan 8.230 nan 0.000 0.439 181 N N -1.244 117.498 118.700 0.070 0.000 3.020 181 N HA 0.346 5.086 4.740 -0.000 0.000 0.248 181 N C -1.649 173.909 175.510 0.080 0.000 1.480 181 N CA -0.483 52.607 53.050 0.066 0.000 0.874 181 N CB 1.622 40.134 38.487 0.042 0.000 1.433 181 N HN 0.193 nan 8.380 nan 0.000 0.530 182 E N -0.397 119.841 120.200 0.063 0.000 2.401 182 E HA 0.418 4.768 4.350 -0.000 0.000 0.280 182 E C -1.702 174.918 176.600 0.034 0.000 1.039 182 E CA -0.853 55.583 56.400 0.060 0.000 0.814 182 E CB 1.972 31.707 29.700 0.059 0.000 1.275 182 E HN 0.357 nan 8.360 nan 0.000 0.448 183 K N 2.798 123.218 120.400 0.033 0.000 2.731 183 K HA 0.323 4.643 4.320 -0.000 0.000 0.257 183 K C -1.654 174.933 176.600 -0.023 0.000 1.032 183 K CA -0.413 55.879 56.287 0.009 0.000 0.983 183 K CB 0.912 33.442 32.500 0.049 0.000 1.248 183 K HN 0.556 nan 8.250 nan 0.000 0.484 184 L N 3.629 124.784 121.223 -0.114 0.000 2.307 184 L HA 0.487 4.827 4.340 -0.000 0.000 0.282 184 L C -0.081 176.629 176.870 -0.266 0.000 1.051 184 L CA -0.611 54.107 54.840 -0.204 0.000 0.804 184 L CB 1.619 43.410 42.059 -0.445 0.000 1.197 184 L HN 0.597 nan 8.230 nan 0.000 0.431 185 Q N 1.696 121.256 119.800 -0.401 0.000 2.553 185 Q HA 0.897 5.237 4.340 -0.000 0.000 0.293 185 Q C -1.406 174.150 176.000 -0.739 0.000 1.038 185 Q CA -0.917 54.451 55.803 -0.725 0.000 0.777 185 Q CB 3.043 31.005 28.738 -1.294 0.000 1.487 185 Q HN 0.749 nan 8.270 nan 0.000 0.426 186 A N 0.759 123.169 122.820 -0.683 0.000 2.601 186 A HA 0.629 4.949 4.320 -0.000 0.000 0.291 186 A C -2.049 175.522 177.584 -0.022 0.000 1.075 186 A CA -0.449 51.437 52.037 -0.253 0.000 0.671 186 A CB 1.968 20.964 19.000 -0.007 0.000 1.277 186 A HN 0.646 nan 8.150 nan 0.000 0.417 187 D N 0.257 120.792 120.400 0.226 0.000 2.337 187 D HA 0.429 5.069 4.640 -0.000 0.000 0.238 187 D C 0.821 177.232 176.300 0.184 0.000 1.331 187 D CA 0.500 54.646 54.000 0.244 0.000 0.967 187 D CB 0.744 41.767 40.800 0.371 0.000 1.382 187 D HN 0.732 nan 8.370 nan 0.000 0.549 188 G N 1.558 110.462 108.800 0.173 0.000 2.848 188 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.208 188 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.208 188 G C 0.948 176.030 174.900 0.302 0.000 1.152 188 G CA 0.224 45.468 45.100 0.241 0.000 0.789 188 G HN 0.473 nan 8.290 nan 0.000 0.531 189 Q N -0.415 119.491 119.800 0.176 0.000 2.472 189 Q HA 0.116 4.456 4.340 -0.000 0.000 0.208 189 Q C 1.401 177.410 176.000 0.015 0.000 0.958 189 Q CA 0.356 56.226 55.803 0.112 0.000 0.932 189 Q CB 0.250 29.036 28.738 0.081 0.000 1.007 189 Q HN 0.337 nan 8.270 nan 0.000 0.508 190 R N 0.202 120.714 120.500 0.019 0.000 2.659 190 R HA 0.064 4.404 4.340 -0.000 0.000 0.418 190 R C 1.126 177.392 176.300 -0.057 0.000 1.076 190 R CA -0.261 55.788 56.100 -0.084 0.000 1.093 190 R CB 0.256 30.492 30.300 -0.107 0.000 1.400 190 R HN 0.402 nan 8.270 nan 0.000 0.583 191 W N 0.499 121.792 121.300 -0.012 0.000 2.421 191 W HA -0.110 4.550 4.660 -0.000 0.000 0.270 191 W C 0.856 177.378 176.519 0.004 0.000 1.233 191 W CA 1.494 58.838 57.345 -0.001 0.000 1.226 191 W CB -0.631 28.840 29.460 0.019 0.000 1.121 191 W HN -0.049 nan 8.180 nan 0.000 0.579 192 T N -1.168 113.047 114.554 -0.566 0.000 3.072 192 T HA 0.172 4.522 4.350 -0.000 0.000 0.266 192 T C 2.023 176.624 174.700 -0.165 0.000 1.127 192 T CA 1.142 62.925 62.100 -0.528 0.000 1.107 192 T CB -0.410 68.014 68.868 -0.741 0.000 0.910 192 T HN 0.154 nan 8.240 nan 0.000 0.513 193 A N 0.575 123.334 122.820 -0.102 0.000 2.067 193 A HA 0.410 4.730 4.320 -0.000 0.000 0.219 193 A C 0.941 178.544 177.584 0.033 0.000 1.158 193 A CA 0.574 52.589 52.037 -0.037 0.000 0.661 193 A CB -0.277 18.697 19.000 -0.044 0.000 0.801 193 A HN 0.562 nan 8.150 nan 0.000 0.452 194 L N 0.114 121.385 121.223 0.079 0.000 2.611 194 L HA 0.463 4.803 4.340 -0.000 0.000 0.263 194 L C -0.449 176.518 176.870 0.161 0.000 0.969 194 L CA 0.473 55.382 54.840 0.114 0.000 0.894 194 L CB 1.561 43.699 42.059 0.131 0.000 1.229 194 L HN 0.247 nan 8.230 nan 0.000 0.416 195 T N 0.715 115.360 114.554 0.153 0.000 2.906 195 T HA 0.997 5.347 4.350 -0.000 0.000 0.295 195 T C -0.519 174.277 174.700 0.159 0.000 1.075 195 T CA -0.047 62.168 62.100 0.192 0.000 1.005 195 T CB 2.020 71.037 68.868 0.249 0.000 1.136 195 T HN 1.085 nan 8.240 nan 0.000 0.498 196 S N -0.630 115.172 115.700 0.171 0.000 2.578 196 S HA 0.630 5.100 4.470 -0.000 0.000 0.272 196 S C 0.544 175.215 174.600 0.119 0.000 1.145 196 S CA -0.027 58.267 58.200 0.156 0.000 0.835 196 S CB 0.814 64.160 63.200 0.242 0.000 1.104 196 S HN 2.614 nan 8.310 nan 0.000 0.458 197 G N 0.387 109.241 108.800 0.089 0.000 2.176 197 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.252 197 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.252 197 G C -0.197 174.743 174.900 0.068 0.000 1.024 197 G CA 0.294 45.419 45.100 0.043 0.000 0.755 197 G HN 1.558 nan 8.290 nan 0.000 0.507 198 Y N 1.355 121.661 120.300 0.009 0.000 2.597 198 Y HA 0.457 5.007 4.550 -0.000 0.000 0.336 198 Y C 0.675 176.566 175.900 -0.015 0.000 1.216 198 Y CA 1.065 59.167 58.100 0.003 0.000 1.463 198 Y CB 0.915 39.394 38.460 0.031 0.000 1.303 198 Y HN 0.118 nan 8.280 nan 0.000 0.576 199 T N 7.969 122.055 114.554 -0.779 0.000 2.791 199 T HA 0.420 4.770 4.350 -0.000 0.000 0.288 199 T C -0.194 174.051 174.700 -0.758 0.000 0.999 199 T CA -0.563 61.214 62.100 -0.539 0.000 0.952 199 T CB 0.140 68.798 68.868 -0.350 0.000 0.938 199 T HN 0.489 nan 8.240 nan 0.000 0.444 200 I N 3.732 124.091 120.570 -0.352 0.000 2.588 200 I HA 0.136 4.306 4.170 -0.000 0.000 0.283 200 I C 0.760 176.724 176.117 -0.255 0.000 1.119 200 I CA -0.450 60.736 61.300 -0.189 0.000 1.419 200 I CB 0.464 38.479 38.000 0.025 0.000 1.394 200 I HN 0.463 nan 8.210 nan 0.000 0.562 201 N N 6.761 125.228 118.700 -0.389 0.000 2.414 201 N HA 0.074 4.814 4.740 -0.000 0.000 0.256 201 N C -0.310 175.041 175.510 -0.266 0.000 1.029 201 N CA -0.300 52.482 53.050 -0.446 0.000 0.948 201 N CB 0.615 38.581 38.487 -0.868 0.000 1.102 201 N HN 0.606 nan 8.380 nan 0.000 0.496 202 E N 1.111 121.254 120.200 -0.096 0.000 3.385 202 E HA 0.138 4.488 4.350 -0.000 0.000 0.206 202 E C -0.535 176.084 176.600 0.032 0.000 0.997 202 E CA -0.668 55.734 56.400 0.002 0.000 1.278 202 E CB -0.261 29.438 29.700 -0.001 0.000 1.165 202 E HN 0.472 nan 8.360 nan 0.000 0.452 203 S N 1.040 116.785 115.700 0.075 0.000 2.617 203 S HA 0.255 4.725 4.470 -0.000 0.000 0.269 203 S C -1.131 173.505 174.600 0.060 0.000 1.292 203 S CA -1.087 57.181 58.200 0.114 0.000 1.010 203 S CB 0.988 64.338 63.200 0.249 0.000 0.944 203 S HN 0.025 nan 8.310 nan 0.000 0.536 204 P HA 0.007 nan 4.420 nan 0.000 0.236 204 P C 0.272 177.312 177.300 -0.434 0.000 1.172 204 P CA 0.806 63.713 63.100 -0.321 0.000 0.759 204 P CB -0.233 31.176 31.700 -0.485 0.000 0.843 205 F N -2.728 117.257 119.950 0.058 0.000 2.717 205 F HA 0.177 4.704 4.527 -0.000 0.000 0.295 205 F C 1.289 177.138 175.800 0.082 0.000 1.117 205 F CA -0.571 57.464 58.000 0.057 0.000 1.361 205 F CB -0.735 38.298 39.000 0.055 0.000 1.112 205 F HN -0.217 nan 8.300 nan 0.000 0.594 206 Y N 2.453 122.827 120.300 0.123 0.000 2.442 206 Y HA 0.085 4.635 4.550 -0.000 0.000 0.330 206 Y C 1.147 177.047 175.900 -0.001 0.000 1.129 206 Y CA -0.118 58.019 58.100 0.060 0.000 1.365 206 Y CB 0.482 38.962 38.460 0.034 0.000 1.233 206 Y HN 0.143 nan 8.280 nan 0.000 0.529 207 Q N 3.389 122.819 119.800 -0.616 0.000 2.189 207 Q HA 0.237 4.577 4.340 -0.000 0.000 0.223 207 Q C 0.746 176.386 176.000 -0.600 0.000 0.828 207 Q CA 0.069 55.600 55.803 -0.452 0.000 0.967 207 Q CB 0.927 29.536 28.738 -0.216 0.000 1.139 207 Q HN 0.879 nan 8.270 nan 0.000 0.497 208 G N -0.409 107.680 108.800 -1.184 0.000 2.537 208 G HA2 0.161 4.121 3.960 -0.000 0.000 0.273 208 G HA3 0.161 4.121 3.960 -0.000 0.000 0.273 208 G C -0.612 174.162 174.900 -0.210 0.000 1.189 208 G CA -0.304 44.484 45.100 -0.519 0.000 0.881 208 G HN 0.274 nan 8.290 nan 0.000 0.535 209 H N -0.526 118.596 119.070 0.087 0.000 2.467 209 H HA 0.272 4.828 4.556 -0.000 0.000 0.275 209 H C -0.204 175.224 175.328 0.167 0.000 1.131 209 H CA -0.541 55.585 56.048 0.131 0.000 0.989 209 H CB 0.327 30.126 29.762 0.062 0.000 1.696 209 H HN 0.150 nan 8.280 nan 0.000 0.574 210 K N 1.630 122.232 120.400 0.337 0.000 2.416 210 K HA 0.181 4.501 4.320 -0.000 0.000 0.283 210 K C -0.110 176.617 176.600 0.212 0.000 1.037 210 K CA 0.166 56.601 56.287 0.246 0.000 0.995 210 K CB 0.482 33.180 32.500 0.330 0.000 0.938 210 K HN 0.396 nan 8.250 nan 0.000 0.475 211 Q N 0.849 120.702 119.800 0.089 0.000 2.359 211 Q HA 0.805 5.145 4.340 -0.000 0.000 0.274 211 Q C -1.426 174.562 176.000 -0.021 0.000 1.074 211 Q CA -1.187 54.674 55.803 0.096 0.000 0.810 211 Q CB 2.527 31.320 28.738 0.092 0.000 1.342 211 Q HN 0.608 nan 8.270 nan 0.000 0.427 212 A N 0.617 123.473 122.820 0.059 0.000 2.500 212 A HA 0.368 4.688 4.320 -0.000 0.000 0.288 212 A C 0.497 178.154 177.584 0.123 0.000 1.045 212 A CA -0.339 51.707 52.037 0.016 0.000 0.830 212 A CB 0.683 19.564 19.000 -0.197 0.000 1.337 212 A HN 0.831 nan 8.150 nan 0.000 0.400 213 S N 2.483 118.228 115.700 0.075 0.000 2.428 213 S HA -0.304 4.166 4.470 -0.000 0.000 0.240 213 S C 1.487 176.141 174.600 0.089 0.000 1.036 213 S CA 2.079 60.324 58.200 0.074 0.000 1.009 213 S CB -0.312 62.918 63.200 0.050 0.000 0.803 213 S HN 2.131 nan 8.310 nan 0.000 0.486 214 K N 0.480 120.949 120.400 0.116 0.000 3.604 214 K HA -0.204 4.116 4.320 -0.000 0.000 0.271 214 K C 0.017 176.665 176.600 0.081 0.000 1.180 214 K CA 1.684 58.042 56.287 0.118 0.000 1.017 214 K CB -2.888 29.664 32.500 0.088 0.000 1.292 214 K HN 0.821 nan 8.250 nan 0.000 0.501 215 T N 0.255 114.846 114.554 0.061 0.000 2.904 215 T HA 0.496 4.846 4.350 -0.000 0.000 0.290 215 T C 0.927 175.649 174.700 0.036 0.000 1.018 215 T CA -0.494 61.630 62.100 0.038 0.000 1.075 215 T CB 1.488 70.362 68.868 0.011 0.000 0.986 215 T HN 0.323 nan 8.240 nan 0.000 0.523 216 L N 2.057 123.289 121.223 0.014 0.000 2.559 216 L HA 0.118 4.458 4.340 -0.000 0.000 0.282 216 L C -0.116 176.743 176.870 -0.019 0.000 1.232 216 L CA 0.307 55.139 54.840 -0.014 0.000 0.885 216 L CB 0.198 42.141 42.059 -0.194 0.000 1.131 216 L HN 0.682 nan 8.230 nan 0.000 0.498 217 Q N 7.383 127.192 119.800 0.016 0.000 2.304 217 Q HA 0.494 4.834 4.340 -0.000 0.000 0.270 217 Q C -1.016 175.005 176.000 0.035 0.000 1.035 217 Q CA -0.405 55.411 55.803 0.021 0.000 0.781 217 Q CB 2.286 31.042 28.738 0.029 0.000 1.261 217 Q HN 0.753 nan 8.270 nan 0.000 0.444 218 M N -0.496 119.125 119.600 0.035 0.000 2.433 218 M HA 0.560 5.040 4.480 -0.000 0.000 0.290 218 M C -1.039 175.287 176.300 0.043 0.000 1.173 218 M CA -0.676 54.657 55.300 0.055 0.000 0.905 218 M CB 2.585 35.238 32.600 0.090 0.000 1.692 218 M HN 0.241 nan 8.290 nan 0.000 0.462 219 E N 2.424 122.650 120.200 0.045 0.000 2.079 219 E HA 0.268 4.618 4.350 -0.000 0.000 0.252 219 E C 1.091 177.728 176.600 0.063 0.000 0.992 219 E CA -0.391 56.030 56.400 0.034 0.000 0.829 219 E CB 1.122 30.831 29.700 0.015 0.000 1.158 219 E HN 1.019 nan 8.360 nan 0.000 0.435 220 G N 2.759 111.592 108.800 0.055 0.000 2.599 220 G HA2 -0.390 3.570 3.960 -0.000 0.000 0.219 220 G HA3 -0.390 3.570 3.960 -0.000 0.000 0.219 220 G C 1.616 176.576 174.900 0.101 0.000 1.193 220 G CA 1.058 46.199 45.100 0.068 0.000 0.778 220 G HN 0.361 nan 8.290 nan 0.000 0.589 221 R N 0.581 121.113 120.500 0.053 0.000 2.091 221 R HA -0.031 4.309 4.340 -0.000 0.000 0.238 221 R C 2.899 179.286 176.300 0.144 0.000 1.136 221 R CA 2.041 58.184 56.100 0.073 0.000 0.959 221 R CB -0.753 29.561 30.300 0.023 0.000 0.856 221 R HN 0.328 nan 8.270 nan 0.000 0.437 222 S N 0.621 116.383 115.700 0.104 0.000 2.353 222 S HA -0.138 4.332 4.470 -0.000 0.000 0.222 222 S C 1.860 176.557 174.600 0.162 0.000 1.035 222 S CA 1.611 59.870 58.200 0.100 0.000 1.025 222 S CB -0.468 62.761 63.200 0.048 0.000 0.902 222 S HN 0.614 nan 8.310 nan 0.000 0.440 223 I N -1.382 119.307 120.570 0.198 0.000 2.546 223 I HA -0.005 4.165 4.170 -0.000 0.000 0.255 223 I C 2.112 178.405 176.117 0.293 0.000 1.163 223 I CA 1.190 62.680 61.300 0.317 0.000 1.457 223 I CB -0.480 37.702 38.000 0.303 0.000 1.092 223 I HN 0.148 nan 8.210 nan 0.000 0.434 224 F N 2.960 122.960 119.950 0.082 0.000 2.113 224 F HA -0.174 4.353 4.527 -0.000 0.000 0.297 224 F C 2.021 177.788 175.800 -0.056 0.000 1.103 224 F CA 1.844 59.844 58.000 0.000 0.000 1.248 224 F CB -0.251 38.741 39.000 -0.013 0.000 0.999 224 F HN 0.030 nan 8.300 nan 0.000 0.475 225 D N -0.042 120.432 120.400 0.123 0.000 2.144 225 D HA -0.214 4.426 4.640 -0.000 0.000 0.200 225 D C 2.093 178.330 176.300 -0.105 0.000 0.978 225 D CA 1.530 55.531 54.000 0.001 0.000 0.833 225 D CB -0.804 40.047 40.800 0.085 0.000 0.961 225 D HN 0.436 nan 8.370 nan 0.000 0.470 226 F N 1.603 121.451 119.950 -0.169 0.000 2.069 226 F HA -0.219 4.308 4.527 -0.000 0.000 0.298 226 F C 2.172 177.733 175.800 -0.399 0.000 1.113 226 F CA 1.930 59.779 58.000 -0.251 0.000 1.214 226 F CB -0.146 38.744 39.000 -0.184 0.000 0.978 226 F HN -0.054 nan 8.300 nan 0.000 0.474 227 A N 1.628 123.832 122.820 -1.026 0.000 1.865 227 A HA -0.183 4.137 4.320 -0.000 0.000 0.217 227 A C 2.169 179.187 177.584 -0.944 0.000 1.191 227 A CA 2.063 53.327 52.037 -1.289 0.000 0.623 227 A CB -1.160 17.225 19.000 -1.024 0.000 0.826 227 A HN 0.499 nan 8.150 nan 0.000 0.444 228 I N -0.031 120.101 120.570 -0.730 0.000 2.208 228 I HA -0.230 3.940 4.170 -0.000 0.000 0.245 228 I C 2.375 178.250 176.117 -0.404 0.000 1.097 228 I CA 2.147 63.119 61.300 -0.547 0.000 1.363 228 I CB -1.225 36.487 38.000 -0.481 0.000 1.051 228 I HN 0.482 nan 8.210 nan 0.000 0.413 229 K N 0.703 120.882 120.400 -0.368 0.000 2.005 229 K HA -0.125 4.195 4.320 -0.000 0.000 0.206 229 K C 1.725 178.148 176.600 -0.295 0.000 1.044 229 K CA 1.309 57.442 56.287 -0.257 0.000 0.942 229 K CB 0.088 32.488 32.500 -0.166 0.000 0.727 229 K HN 0.152 nan 8.250 nan 0.000 0.439 230 D N 0.411 120.539 120.400 -0.453 0.000 2.149 230 D HA -0.103 4.537 4.640 -0.000 0.000 0.201 230 D C 2.002 177.965 176.300 -0.562 0.000 0.972 230 D CA 0.861 54.545 54.000 -0.527 0.000 0.835 230 D CB 0.034 40.318 40.800 -0.860 0.000 0.966 230 D HN 0.051 nan 8.370 nan 0.000 0.476 231 V N 1.014 120.481 119.914 -0.745 0.000 2.427 231 V HA -0.171 3.949 4.120 -0.000 0.000 0.248 231 V C 2.508 178.477 176.094 -0.208 0.000 1.051 231 V CA 1.301 63.314 62.300 -0.478 0.000 1.048 231 V CB -0.389 31.002 31.823 -0.720 0.000 0.666 231 V HN 0.113 nan 8.190 nan 0.000 0.456 232 S N -0.529 115.026 115.700 -0.243 0.000 2.359 232 S HA -0.303 4.167 4.470 -0.000 0.000 0.224 232 S C 2.019 176.596 174.600 -0.038 0.000 1.035 232 S CA 1.754 59.884 58.200 -0.117 0.000 1.018 232 S CB -0.298 62.816 63.200 -0.144 0.000 0.876 232 S HN 0.636 nan 8.310 nan 0.000 0.448 233 Q N 0.973 120.749 119.800 -0.040 0.000 2.084 233 Q HA -0.089 4.251 4.340 -0.000 0.000 0.202 233 Q C 2.266 178.320 176.000 0.091 0.000 0.978 233 Q CA 1.049 56.869 55.803 0.028 0.000 0.844 233 Q CB -0.180 28.583 28.738 0.041 0.000 0.898 233 Q HN 0.472 nan 8.270 nan 0.000 0.426 234 N N 0.726 119.513 118.700 0.145 0.000 2.166 234 N HA -0.157 4.583 4.740 -0.000 0.000 0.186 234 N C 1.652 177.257 175.510 0.157 0.000 1.019 234 N CA 1.113 54.301 53.050 0.230 0.000 0.856 234 N CB -0.007 38.740 38.487 0.434 0.000 0.993 234 N HN 0.261 nan 8.380 nan 0.000 0.426 235 I N 0.938 121.581 120.570 0.121 0.000 2.252 235 I HA -0.209 3.961 4.170 -0.000 0.000 0.245 235 I C 2.045 178.206 176.117 0.074 0.000 1.102 235 I CA 0.660 62.021 61.300 0.103 0.000 1.385 235 I CB -0.164 37.900 38.000 0.107 0.000 1.064 235 I HN 0.108 nan 8.210 nan 0.000 0.414 236 L N 0.551 121.812 121.223 0.063 0.000 2.456 236 L HA -0.118 4.222 4.340 -0.000 0.000 0.224 236 L C 2.456 179.354 176.870 0.047 0.000 1.148 236 L CA 0.965 55.834 54.840 0.047 0.000 0.825 236 L CB -0.494 41.587 42.059 0.037 0.000 0.937 236 L HN 0.361 nan 8.230 nan 0.000 0.450 237 S N -1.122 114.615 115.700 0.061 0.000 2.558 237 S HA 0.078 4.548 4.470 -0.000 0.000 0.217 237 S C 1.546 176.175 174.600 0.048 0.000 0.975 237 S CA 0.127 58.361 58.200 0.057 0.000 0.912 237 S CB 0.117 63.361 63.200 0.073 0.000 0.776 237 S HN 0.432 nan 8.310 nan 0.000 0.526 238 L N 0.764 122.016 121.223 0.048 0.000 2.653 238 L HA 0.426 4.766 4.340 -0.000 0.000 0.230 238 L C 0.382 177.266 176.870 0.023 0.000 1.055 238 L CA -0.001 54.862 54.840 0.038 0.000 0.880 238 L CB 0.925 43.013 42.059 0.048 0.000 1.195 238 L HN 0.399 nan 8.230 nan 0.000 0.492 239 V N -3.870 116.057 119.914 0.021 0.000 3.226 239 V HA 0.813 4.933 4.120 -0.000 0.000 0.304 239 V C -0.697 175.401 176.094 0.007 0.000 1.336 239 V CA -0.384 61.919 62.300 0.005 0.000 1.066 239 V CB 1.699 33.515 31.823 -0.012 0.000 1.087 239 V HN 0.129 nan 8.190 nan 0.000 0.451 240 T N -3.145 111.407 114.554 -0.003 0.000 2.865 240 T HA 0.465 4.815 4.350 -0.000 0.000 0.294 240 T C 0.356 175.049 174.700 -0.013 0.000 1.119 240 T CA 0.316 62.417 62.100 0.001 0.000 1.007 240 T CB 1.673 70.542 68.868 0.002 0.000 1.225 240 T HN 0.849 nan 8.240 nan 0.000 0.515 241 D N 0.439 120.836 120.400 -0.006 0.000 2.172 241 D HA -0.149 4.491 4.640 -0.000 0.000 0.196 241 D C 1.484 177.762 176.300 -0.036 0.000 0.999 241 D CA 1.628 55.617 54.000 -0.019 0.000 0.856 241 D CB -0.055 40.744 40.800 -0.002 0.000 0.934 241 D HN 0.703 nan 8.370 nan 0.000 0.453 242 E N -1.264 118.921 120.200 -0.025 0.000 2.478 242 E HA 0.004 4.354 4.350 -0.000 0.000 0.198 242 E C 1.358 177.939 176.600 -0.032 0.000 1.046 242 E CA 1.127 57.510 56.400 -0.028 0.000 0.870 242 E CB -0.024 29.665 29.700 -0.018 0.000 0.818 242 E HN 0.405 nan 8.360 nan 0.000 0.527 243 T N -2.972 111.562 114.554 -0.034 0.000 3.288 243 T HA 0.393 4.742 4.350 -0.000 0.000 0.293 243 T C -0.114 174.558 174.700 -0.045 0.000 1.008 243 T CA -0.510 61.570 62.100 -0.034 0.000 0.929 243 T CB 0.256 69.111 68.868 -0.022 0.000 1.152 243 T HN -0.023 nan 8.240 nan 0.000 0.517 244 V N 0.460 120.333 119.914 -0.068 0.000 2.808 244 V HA 0.444 4.564 4.120 -0.000 0.000 0.308 244 V C -0.846 175.163 176.094 -0.141 0.000 1.099 244 V CA -0.676 61.569 62.300 -0.090 0.000 0.920 244 V CB 2.379 34.138 31.823 -0.106 0.000 1.014 244 V HN 0.216 nan 8.190 nan 0.000 0.425 245 D N 3.863 124.177 120.400 -0.144 0.000 2.338 245 D HA 0.172 4.812 4.640 -0.000 0.000 0.224 245 D C -0.664 175.303 176.300 -0.554 0.000 0.967 245 D CA 1.395 55.224 54.000 -0.285 0.000 0.896 245 D CB 0.605 41.327 40.800 -0.130 0.000 1.028 245 D HN 0.544 nan 8.370 nan 0.000 0.493 246 Y N -0.630 119.606 120.300 -0.107 0.000 2.544 246 Y HA 0.449 4.999 4.550 -0.000 0.000 0.342 246 Y C -1.008 174.786 175.900 -0.177 0.000 1.062 246 Y CA -1.061 56.960 58.100 -0.131 0.000 1.023 246 Y CB 1.861 40.279 38.460 -0.070 0.000 1.308 246 Y HN -0.332 nan 8.280 nan 0.000 0.457 247 L N 3.814 124.988 121.223 -0.080 0.000 2.406 247 L HA 0.511 4.851 4.340 -0.000 0.000 0.272 247 L C -1.124 175.755 176.870 0.015 0.000 0.980 247 L CA -0.342 54.414 54.840 -0.140 0.000 0.831 247 L CB 1.734 43.500 42.059 -0.489 0.000 1.253 247 L HN 0.450 nan 8.230 nan 0.000 0.406 248 L N 4.687 125.956 121.223 0.076 0.000 2.297 248 L HA 0.451 4.791 4.340 -0.000 0.000 0.277 248 L C -0.694 176.273 176.870 0.163 0.000 1.040 248 L CA -0.515 54.393 54.840 0.112 0.000 0.867 248 L CB 0.838 42.946 42.059 0.081 0.000 1.244 248 L HN 0.396 nan 8.230 nan 0.000 0.433 249 L N 1.436 122.791 121.223 0.220 0.000 2.416 249 L HA 0.320 4.660 4.340 -0.000 0.000 0.262 249 L C 0.471 177.432 176.870 0.152 0.000 1.093 249 L CA -0.429 54.582 54.840 0.286 0.000 0.801 249 L CB 0.255 42.586 42.059 0.452 0.000 1.191 249 L HN 0.362 nan 8.230 nan 0.000 0.459 250 H N 1.826 120.816 119.070 -0.133 0.000 3.034 250 H HA 0.036 4.592 4.556 -0.000 0.000 0.324 250 H C -0.493 174.724 175.328 -0.185 0.000 1.015 250 H CA 0.081 55.921 56.048 -0.346 0.000 1.429 250 H CB 0.507 29.723 29.762 -0.910 0.000 1.429 250 H HN 0.294 nan 8.280 nan 0.000 0.585 251 Q N 4.890 124.410 119.800 -0.466 0.000 3.026 251 Q HA 0.202 4.542 4.340 -0.000 0.000 0.258 251 Q C 0.587 176.215 176.000 -0.621 0.000 1.388 251 Q CA 0.458 56.029 55.803 -0.385 0.000 1.000 251 Q CB 0.413 29.053 28.738 -0.164 0.000 1.634 251 Q HN 0.790 nan 8.270 nan 0.000 0.571 252 A N 1.821 124.236 122.820 -0.674 0.000 1.924 252 A HA 0.061 4.381 4.320 -0.000 0.000 0.211 252 A C 0.815 178.294 177.584 -0.174 0.000 1.198 252 A CA 0.520 52.302 52.037 -0.425 0.000 0.657 252 A CB 0.532 19.449 19.000 -0.139 0.000 0.852 252 A HN 0.524 nan 8.150 nan 0.000 0.454 253 N N -1.042 117.617 118.700 -0.069 0.000 2.666 253 N HA 0.110 4.849 4.740 -0.000 0.000 0.260 253 N C 0.138 175.661 175.510 0.021 0.000 1.077 253 N CA -0.081 52.964 53.050 -0.010 0.000 1.026 253 N CB 1.507 40.047 38.487 0.089 0.000 1.653 253 N HN -0.146 nan 8.380 nan 0.000 0.533 254 V N 3.544 123.457 119.914 -0.001 0.000 2.490 254 V HA -0.167 3.953 4.120 -0.000 0.000 0.250 254 V C 2.264 178.364 176.094 0.011 0.000 1.061 254 V CA 1.327 63.629 62.300 0.003 0.000 1.064 254 V CB -0.364 31.457 31.823 -0.003 0.000 0.670 254 V HN 0.595 nan 8.190 nan 0.000 0.461 255 R N -0.093 120.441 120.500 0.056 0.000 2.152 255 R HA 0.007 4.347 4.340 -0.000 0.000 0.232 255 R C 2.049 178.414 176.300 0.108 0.000 1.117 255 R CA 1.174 57.334 56.100 0.100 0.000 0.981 255 R CB -0.888 29.499 30.300 0.145 0.000 0.870 255 R HN 0.472 nan 8.270 nan 0.000 0.451 256 I N 0.416 121.031 120.570 0.076 0.000 2.252 256 I HA -0.241 3.929 4.170 -0.000 0.000 0.245 256 I C 2.166 178.143 176.117 -0.235 0.000 1.102 256 I CA 1.237 62.406 61.300 -0.217 0.000 1.385 256 I CB -0.226 37.654 38.000 -0.200 0.000 1.064 256 I HN 0.019 nan 8.210 nan 0.000 0.414 257 I N 0.390 120.871 120.570 -0.150 0.000 2.252 257 I HA -0.285 3.885 4.170 -0.000 0.000 0.245 257 I C 2.096 177.989 176.117 -0.374 0.000 1.102 257 I CA 1.202 62.347 61.300 -0.259 0.000 1.385 257 I CB -0.515 37.412 38.000 -0.121 0.000 1.064 257 I HN 0.219 nan 8.210 nan 0.000 0.414 258 D N 1.353 121.628 120.400 -0.209 0.000 2.116 258 D HA -0.188 4.452 4.640 -0.000 0.000 0.193 258 D C 2.196 178.378 176.300 -0.197 0.000 0.998 258 D CA 1.471 55.366 54.000 -0.176 0.000 0.836 258 D CB -0.124 40.632 40.800 -0.073 0.000 0.951 258 D HN 0.328 nan 8.370 nan 0.000 0.449 259 K N 0.020 120.317 120.400 -0.172 0.000 2.103 259 K HA 0.049 4.369 4.320 -0.000 0.000 0.204 259 K C 2.324 178.785 176.600 -0.232 0.000 1.052 259 K CA 0.325 56.512 56.287 -0.167 0.000 0.945 259 K CB 0.147 32.565 32.500 -0.136 0.000 0.722 259 K HN 0.159 nan 8.250 nan 0.000 0.443 260 I N 1.129 121.508 120.570 -0.317 0.000 2.315 260 I HA -0.250 3.920 4.170 -0.000 0.000 0.248 260 I C 2.435 178.376 176.117 -0.294 0.000 1.117 260 I CA 0.851 61.968 61.300 -0.305 0.000 1.404 260 I CB -0.312 37.500 38.000 -0.312 0.000 1.071 260 I HN 0.147 nan 8.210 nan 0.000 0.419 261 A N 0.827 123.334 122.820 -0.521 0.000 1.933 261 A HA -0.189 4.131 4.320 -0.000 0.000 0.218 261 A C 2.382 179.891 177.584 -0.125 0.000 1.175 261 A CA 1.368 53.153 52.037 -0.419 0.000 0.628 261 A CB -0.456 18.188 19.000 -0.593 0.000 0.814 261 A HN 0.319 nan 8.150 nan 0.000 0.444 262 R N -0.866 119.551 120.500 -0.138 0.000 2.073 262 R HA -0.079 4.261 4.340 -0.000 0.000 0.229 262 R C 2.292 178.559 176.300 -0.055 0.000 1.120 262 R CA 1.461 57.517 56.100 -0.073 0.000 0.967 262 R CB -0.220 30.037 30.300 -0.072 0.000 0.862 262 R HN 0.410 nan 8.270 nan 0.000 0.436 263 K N 0.683 121.035 120.400 -0.079 0.000 2.032 263 K HA -0.121 4.199 4.320 -0.000 0.000 0.209 263 K C 1.915 178.496 176.600 -0.032 0.000 1.048 263 K CA 2.236 58.484 56.287 -0.066 0.000 0.927 263 K CB -0.385 32.053 32.500 -0.104 0.000 0.712 263 K HN 0.281 nan 8.250 nan 0.000 0.441 264 T N -2.015 112.532 114.554 -0.011 0.000 3.088 264 T HA 0.106 4.456 4.350 -0.000 0.000 0.259 264 T C 0.246 174.975 174.700 0.048 0.000 1.122 264 T CA 0.300 62.421 62.100 0.035 0.000 1.095 264 T CB -0.319 68.607 68.868 0.098 0.000 0.930 264 T HN 0.331 nan 8.240 nan 0.000 0.508 265 K N 0.505 120.927 120.400 0.037 0.000 3.129 265 K HA -0.124 4.196 4.320 -0.000 0.000 0.273 265 K C -0.553 176.087 176.600 0.066 0.000 1.123 265 K CA 0.374 56.684 56.287 0.037 0.000 0.800 265 K CB -2.084 30.428 32.500 0.020 0.000 1.238 265 K HN 0.565 nan 8.250 nan 0.000 0.492 266 I N 0.765 121.416 120.570 0.135 0.000 2.359 266 I HA 0.062 4.232 4.170 -0.000 0.000 0.294 266 I C 0.938 177.195 176.117 0.233 0.000 0.987 266 I CA -0.654 60.745 61.300 0.165 0.000 1.225 266 I CB 1.768 39.890 38.000 0.204 0.000 1.366 266 I HN 0.047 nan 8.210 nan 0.000 0.466 267 S N 4.516 120.289 115.700 0.122 0.000 2.885 267 S HA -0.103 4.367 4.470 -0.000 0.000 0.334 267 S C 1.389 176.128 174.600 0.231 0.000 1.224 267 S CA -0.124 58.142 58.200 0.110 0.000 1.080 267 S CB 0.057 63.271 63.200 0.023 0.000 0.801 267 S HN 0.615 nan 8.310 nan 0.000 0.510 268 R N 3.865 124.479 120.500 0.191 0.000 2.117 268 R HA -0.151 4.189 4.340 -0.000 0.000 0.243 268 R C 2.066 178.522 176.300 0.261 0.000 1.143 268 R CA 2.466 58.692 56.100 0.210 0.000 0.968 268 R CB -0.446 29.884 30.300 0.051 0.000 0.863 268 R HN 0.875 nan 8.270 nan 0.000 0.444 269 E N 0.340 120.633 120.200 0.155 0.000 2.472 269 E HA -0.176 4.174 4.350 -0.000 0.000 0.200 269 E C 0.981 177.666 176.600 0.142 0.000 1.046 269 E CA 0.931 57.410 56.400 0.132 0.000 0.871 269 E CB -0.130 29.615 29.700 0.075 0.000 0.806 269 E HN 0.426 nan 8.360 nan 0.000 0.533 270 K N 0.147 120.611 120.400 0.107 0.000 2.305 270 K HA 0.084 4.404 4.320 -0.000 0.000 0.199 270 K C -0.052 176.557 176.600 0.015 0.000 1.047 270 K CA 0.187 56.433 56.287 -0.069 0.000 0.976 270 K CB 0.045 32.385 32.500 -0.266 0.000 0.765 270 K HN 0.029 nan 8.250 nan 0.000 0.474 271 F N 2.085 122.088 119.950 0.089 0.000 2.413 271 F HA 0.198 4.725 4.527 -0.000 0.000 0.359 271 F C 0.426 176.291 175.800 0.109 0.000 1.122 271 F CA -0.608 57.452 58.000 0.099 0.000 1.160 271 F CB 0.212 39.248 39.000 0.061 0.000 1.146 271 F HN -0.204 nan 8.300 nan 0.000 0.514 272 L N 3.366 124.733 121.223 0.241 0.000 2.417 272 L HA 0.545 4.885 4.340 -0.000 0.000 0.268 272 L C 0.416 177.368 176.870 0.138 0.000 1.158 272 L CA -0.406 54.531 54.840 0.161 0.000 0.819 272 L CB 1.101 43.211 42.059 0.085 0.000 1.112 272 L HN 0.666 nan 8.230 nan 0.000 0.458 273 T N -1.313 113.301 114.554 0.100 0.000 2.900 273 T HA 0.469 4.819 4.350 -0.000 0.000 0.303 273 T C -0.393 174.344 174.700 0.061 0.000 1.142 273 T CA -0.861 61.284 62.100 0.075 0.000 1.007 273 T CB 1.985 70.894 68.868 0.067 0.000 1.156 273 T HN 0.725 nan 8.240 nan 0.000 0.490 274 N N 1.238 119.975 118.700 0.062 0.000 2.471 274 N HA 0.079 4.819 4.740 -0.000 0.000 0.264 274 N C 0.440 176.023 175.510 0.122 0.000 1.493 274 N CA -0.487 52.621 53.050 0.096 0.000 0.932 274 N CB -0.543 38.036 38.487 0.154 0.000 1.405 274 N HN 0.679 nan 8.380 nan 0.000 0.505 275 M N -0.207 119.419 119.600 0.043 0.000 2.296 275 M HA -0.064 4.416 4.480 -0.000 0.000 0.265 275 M C 1.230 177.504 176.300 -0.044 0.000 1.064 275 M CA 1.389 56.695 55.300 0.011 0.000 1.109 275 M CB -0.298 32.273 32.600 -0.048 0.000 1.396 275 M HN 0.143 nan 8.290 nan 0.000 0.430 276 D N 1.094 121.451 120.400 -0.072 0.000 2.157 276 D HA -0.197 4.443 4.640 -0.000 0.000 0.191 276 D C 1.663 177.848 176.300 -0.192 0.000 1.004 276 D CA 1.438 55.357 54.000 -0.135 0.000 0.854 276 D CB 0.243 40.981 40.800 -0.103 0.000 0.936 276 D HN 0.118 nan 8.370 nan 0.000 0.446 277 K N -1.215 119.013 120.400 -0.286 0.000 2.353 277 K HA 0.058 4.378 4.320 -0.000 0.000 0.195 277 K C 0.889 177.171 176.600 -0.530 0.000 1.031 277 K CA 0.211 56.227 56.287 -0.451 0.000 1.079 277 K CB 0.395 32.509 32.500 -0.643 0.000 0.857 277 K HN 0.429 nan 8.250 nan 0.000 0.535 278 Y N 0.066 120.334 120.300 -0.053 0.000 2.589 278 Y HA 0.194 4.744 4.550 -0.000 0.000 0.271 278 Y C 1.336 177.214 175.900 -0.036 0.000 1.107 278 Y CA 0.090 58.166 58.100 -0.039 0.000 1.273 278 Y CB 0.767 39.204 38.460 -0.039 0.000 1.266 278 Y HN 0.170 nan 8.280 nan 0.000 0.504 279 G N 1.563 110.405 108.800 0.070 0.000 2.642 279 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.231 279 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.231 279 G C -0.731 174.148 174.900 -0.035 0.000 1.338 279 G CA -0.332 44.755 45.100 -0.021 0.000 0.883 279 G HN 0.276 nan 8.290 nan 0.000 0.570 280 N N 1.172 119.782 118.700 -0.150 0.000 2.415 280 N HA 0.387 5.127 4.740 -0.000 0.000 0.246 280 N C 1.341 176.884 175.510 0.055 0.000 1.078 280 N CA 0.693 53.640 53.050 -0.171 0.000 0.942 280 N CB 0.590 38.772 38.487 -0.509 0.000 1.140 280 N HN 1.022 nan 8.380 nan 0.000 0.501 281 T N 0.464 115.085 114.554 0.110 0.000 3.223 281 T HA 0.152 4.502 4.350 -0.000 0.000 0.259 281 T C 0.949 175.787 174.700 0.230 0.000 1.015 281 T CA 0.073 62.278 62.100 0.175 0.000 0.908 281 T CB -0.318 68.590 68.868 0.067 0.000 1.054 281 T HN 0.474 nan 8.240 nan 0.000 0.567 282 S N 1.790 117.683 115.700 0.322 0.000 4.050 282 S HA -0.396 4.074 4.470 -0.000 0.000 0.602 282 S C 1.961 176.641 174.600 0.133 0.000 2.030 282 S CA 1.878 60.256 58.200 0.297 0.000 4.208 282 S CB -1.665 61.780 63.200 0.407 0.000 0.290 282 S HN 1.566 nan 8.310 nan 0.000 0.615 283 A N 0.998 123.879 122.820 0.101 0.000 2.032 283 A HA 0.203 4.523 4.320 -0.000 0.000 0.221 283 A C 2.555 180.148 177.584 0.015 0.000 1.165 283 A CA 2.804 54.878 52.037 0.061 0.000 0.645 283 A CB -1.386 17.669 19.000 0.090 0.000 0.807 283 A HN 1.749 nan 8.150 nan 0.000 0.453 284 A N 0.058 122.880 122.820 0.004 0.000 2.119 284 A HA 0.102 4.422 4.320 -0.000 0.000 0.216 284 A C 2.336 179.830 177.584 -0.150 0.000 1.152 284 A CA 1.546 53.522 52.037 -0.101 0.000 0.708 284 A CB -0.773 18.195 19.000 -0.054 0.000 0.805 284 A HN 0.964 nan 8.150 nan 0.000 0.460 285 S N 0.831 116.505 115.700 -0.043 0.000 2.359 285 S HA -0.222 4.248 4.470 -0.000 0.000 0.223 285 S C 1.870 176.413 174.600 -0.095 0.000 1.039 285 S CA 1.682 59.858 58.200 -0.041 0.000 1.042 285 S CB -0.794 62.466 63.200 0.099 0.000 0.915 285 S HN 0.502 nan 8.310 nan 0.000 0.439 286 I N 2.900 123.423 120.570 -0.078 0.000 2.202 286 I HA -0.060 4.110 4.170 -0.000 0.000 0.242 286 I C -0.364 175.616 176.117 -0.229 0.000 1.091 286 I CA 1.215 62.470 61.300 -0.076 0.000 1.368 286 I CB -1.419 36.629 38.000 0.079 0.000 1.058 286 I HN 0.347 nan 8.210 nan 0.000 0.410 287 P HA -0.113 nan 4.420 nan 0.000 0.221 287 P C 1.874 178.984 177.300 -0.318 0.000 1.150 287 P CA 1.500 64.251 63.100 -0.581 0.000 0.800 287 P CB 0.038 31.070 31.700 -1.112 0.000 0.787 288 I N -0.691 119.693 120.570 -0.309 0.000 2.233 288 I HA -0.193 3.977 4.170 -0.000 0.000 0.243 288 I C 2.459 178.435 176.117 -0.235 0.000 1.093 288 I CA 0.831 61.941 61.300 -0.317 0.000 1.380 288 I CB -0.565 37.144 38.000 -0.486 0.000 1.067 288 I HN -0.086 nan 8.210 nan 0.000 0.413 289 L N 0.687 121.803 121.223 -0.177 0.000 2.046 289 L HA -0.203 4.137 4.340 -0.000 0.000 0.208 289 L C 2.228 179.056 176.870 -0.070 0.000 1.077 289 L CA 1.721 56.510 54.840 -0.086 0.000 0.747 289 L CB -0.667 41.367 42.059 -0.043 0.000 0.896 289 L HN 0.156 nan 8.230 nan 0.000 0.432 290 L N -0.217 120.957 121.223 -0.081 0.000 2.017 290 L HA -0.211 4.129 4.340 -0.000 0.000 0.208 290 L C 2.167 179.002 176.870 -0.059 0.000 1.073 290 L CA 2.324 57.130 54.840 -0.055 0.000 0.745 290 L CB -1.003 41.040 42.059 -0.027 0.000 0.894 290 L HN 0.494 nan 8.230 nan 0.000 0.432 291 D N -0.950 119.406 120.400 -0.075 0.000 2.144 291 D HA -0.213 4.427 4.640 -0.000 0.000 0.199 291 D C 2.028 178.302 176.300 -0.043 0.000 0.984 291 D CA 1.395 55.361 54.000 -0.057 0.000 0.834 291 D CB 0.024 40.783 40.800 -0.068 0.000 0.955 291 D HN 0.521 nan 8.370 nan 0.000 0.465 292 E N -0.436 119.738 120.200 -0.043 0.000 2.047 292 E HA -0.122 4.228 4.350 -0.000 0.000 0.191 292 E C 2.106 178.690 176.600 -0.028 0.000 0.987 292 E CA 0.854 57.247 56.400 -0.013 0.000 0.799 292 E CB -0.147 29.568 29.700 0.024 0.000 0.752 292 E HN 0.359 nan 8.360 nan 0.000 0.449 293 A N 0.715 123.505 122.820 -0.051 0.000 2.019 293 A HA -0.116 4.204 4.320 -0.000 0.000 0.219 293 A C 2.369 179.897 177.584 -0.093 0.000 1.164 293 A CA 0.966 52.951 52.037 -0.088 0.000 0.644 293 A CB -0.313 18.610 19.000 -0.129 0.000 0.805 293 A HN 0.105 nan 8.150 nan 0.000 0.449 294 V N -0.367 119.506 119.914 -0.069 0.000 2.346 294 V HA -0.187 3.933 4.120 -0.000 0.000 0.244 294 V C 2.455 178.525 176.094 -0.040 0.000 1.037 294 V CA 1.911 64.177 62.300 -0.056 0.000 1.029 294 V CB -0.545 31.254 31.823 -0.041 0.000 0.663 294 V HN 0.750 nan 8.190 nan 0.000 0.454 295 E N 1.740 121.922 120.200 -0.030 0.000 2.085 295 E HA -0.277 4.073 4.350 -0.000 0.000 0.194 295 E C 1.576 178.166 176.600 -0.017 0.000 0.994 295 E CA 1.859 58.249 56.400 -0.018 0.000 0.801 295 E CB -0.108 29.587 29.700 -0.009 0.000 0.743 295 E HN 0.836 nan 8.360 nan 0.000 0.453 296 N N -1.123 117.564 118.700 -0.023 0.000 2.270 296 N HA 0.090 4.830 4.740 -0.000 0.000 0.198 296 N C 0.928 176.422 175.510 -0.026 0.000 1.117 296 N CA 0.786 53.825 53.050 -0.019 0.000 0.845 296 N CB 0.765 39.243 38.487 -0.014 0.000 0.980 296 N HN 0.224 nan 8.380 nan 0.000 0.486 297 G N -1.301 107.477 108.800 -0.037 0.000 2.159 297 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.256 297 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.256 297 G C 0.946 175.810 174.900 -0.061 0.000 0.977 297 G CA 0.726 45.803 45.100 -0.039 0.000 0.652 297 G HN 0.370 nan 8.290 nan 0.000 0.531 298 T N 0.247 114.739 114.554 -0.104 0.000 2.732 298 T HA 0.195 4.545 4.350 -0.000 0.000 0.261 298 T C 1.304 175.825 174.700 -0.299 0.000 1.040 298 T CA 1.071 63.058 62.100 -0.189 0.000 1.145 298 T CB 0.030 68.751 68.868 -0.246 0.000 0.866 298 T HN 0.333 nan 8.240 nan 0.000 0.427 299 L N 1.306 122.366 121.223 -0.272 0.000 2.325 299 L HA 0.536 4.876 4.340 -0.000 0.000 0.279 299 L C -0.690 176.119 176.870 -0.103 0.000 1.054 299 L CA -0.593 54.111 54.840 -0.228 0.000 0.804 299 L CB 1.464 43.399 42.059 -0.206 0.000 1.200 299 L HN 0.164 nan 8.230 nan 0.000 0.436 300 I N 3.931 124.468 120.570 -0.056 0.000 2.439 300 I HA 0.279 4.449 4.170 -0.000 0.000 0.285 300 I C -0.336 175.774 176.117 -0.012 0.000 1.021 300 I CA -0.521 60.764 61.300 -0.024 0.000 1.091 300 I CB 1.792 39.790 38.000 -0.004 0.000 1.242 300 I HN 0.384 nan 8.210 nan 0.000 0.439 301 L N 6.156 127.369 121.223 -0.016 0.000 2.455 301 L HA 0.274 4.614 4.340 -0.000 0.000 0.272 301 L C 1.377 178.252 176.870 0.008 0.000 1.174 301 L CA 0.446 55.277 54.840 -0.014 0.000 0.869 301 L CB 0.275 42.319 42.059 -0.024 0.000 1.130 301 L HN 1.018 nan 8.230 nan 0.000 0.474 302 G N 1.604 110.422 108.800 0.031 0.000 2.176 302 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.253 302 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.253 302 G C 0.904 175.838 174.900 0.055 0.000 0.979 302 G CA 0.578 45.717 45.100 0.065 0.000 0.641 302 G HN 0.752 nan 8.290 nan 0.000 0.530 303 S N -0.656 115.069 115.700 0.042 0.000 2.528 303 S HA 0.253 4.723 4.470 -0.000 0.000 0.219 303 S C 1.269 175.891 174.600 0.036 0.000 0.985 303 S CA 1.245 59.466 58.200 0.035 0.000 0.914 303 S CB -0.074 63.144 63.200 0.032 0.000 0.776 303 S HN 1.116 nan 8.310 nan 0.000 0.526 304 Q N -0.208 119.619 119.800 0.045 0.000 2.493 304 Q HA -0.186 4.153 4.340 -0.000 0.000 0.260 304 Q C -0.806 175.210 176.000 0.025 0.000 0.905 304 Q CA 0.590 56.411 55.803 0.029 0.000 1.140 304 Q CB -1.955 26.787 28.738 0.007 0.000 1.435 304 Q HN 0.743 nan 8.270 nan 0.000 0.581 305 Q N 0.853 120.678 119.800 0.043 0.000 2.311 305 Q HA 0.144 4.484 4.340 -0.000 0.000 0.272 305 Q C -0.165 175.860 176.000 0.041 0.000 1.012 305 Q CA 0.328 56.168 55.803 0.062 0.000 0.891 305 Q CB 0.522 29.330 28.738 0.118 0.000 1.201 305 Q HN 0.116 nan 8.270 nan 0.000 0.391 306 R N 1.845 122.359 120.500 0.024 0.000 2.248 306 R HA 0.225 4.565 4.340 -0.000 0.000 0.337 306 R C -0.855 175.453 176.300 0.013 0.000 1.085 306 R CA -0.203 55.897 56.100 -0.000 0.000 0.934 306 R CB 0.348 30.636 30.300 -0.020 0.000 1.034 306 R HN 0.285 nan 8.270 nan 0.000 0.465 307 V N 4.071 123.990 119.914 0.008 0.000 2.555 307 V HA 0.364 4.484 4.120 -0.000 0.000 0.302 307 V C -0.064 176.028 176.094 -0.003 0.000 1.038 307 V CA -0.881 61.432 62.300 0.020 0.000 0.887 307 V CB 2.214 34.051 31.823 0.023 0.000 0.991 307 V HN 0.378 nan 8.190 nan 0.000 0.434 308 V N 5.748 125.666 119.914 0.006 0.000 2.459 308 V HA 0.496 4.616 4.120 -0.000 0.000 0.295 308 V C -0.330 175.803 176.094 0.064 0.000 1.029 308 V CA -0.506 61.808 62.300 0.024 0.000 0.874 308 V CB 1.721 33.550 31.823 0.010 0.000 0.985 308 V HN 0.628 nan 8.190 nan 0.000 0.438 309 L N 4.372 125.654 121.223 0.100 0.000 2.287 309 L HA 0.619 4.959 4.340 -0.000 0.000 0.287 309 L C -0.128 176.860 176.870 0.197 0.000 1.022 309 L CA -0.141 54.791 54.840 0.153 0.000 0.814 309 L CB 1.767 43.933 42.059 0.179 0.000 1.217 309 L HN 0.582 nan 8.230 nan 0.000 0.420 310 T N 2.047 116.742 114.554 0.236 0.000 2.892 310 T HA 0.508 4.858 4.350 -0.000 0.000 0.311 310 T C 0.236 175.149 174.700 0.354 0.000 1.033 310 T CA -0.569 61.722 62.100 0.319 0.000 0.991 310 T CB 1.572 70.652 68.868 0.353 0.000 0.981 310 T HN 0.727 nan 8.240 nan 0.000 0.457 311 G N 2.279 111.275 108.800 0.326 0.000 2.441 311 G HA2 0.851 4.811 3.960 -0.000 0.000 0.334 311 G HA3 0.851 4.811 3.960 -0.000 0.000 0.334 311 G C -1.122 173.991 174.900 0.355 0.000 1.161 311 G CA -0.932 44.258 45.100 0.151 0.000 0.935 311 G HN 0.646 nan 8.290 nan 0.000 0.488 312 F N -1.333 118.740 119.950 0.205 0.000 2.672 312 F HA 0.807 5.334 4.527 -0.000 0.000 0.311 312 F C 0.119 176.048 175.800 0.215 0.000 1.113 312 F CA -0.593 57.586 58.000 0.298 0.000 0.996 312 F CB 1.295 40.428 39.000 0.221 0.000 1.286 312 F HN 1.070 nan 8.300 nan 0.000 0.441 313 G N 0.297 109.374 108.800 0.461 0.000 2.450 313 G HA2 0.513 4.473 3.960 -0.000 0.000 0.273 313 G HA3 0.513 4.473 3.960 -0.000 0.000 0.273 313 G C -0.617 174.436 174.900 0.255 0.000 1.221 313 G CA -0.192 45.076 45.100 0.281 0.000 0.900 313 G HN 1.153 nan 8.290 nan 0.000 0.483 314 G N -1.042 107.858 108.800 0.167 0.000 2.484 314 G HA2 0.535 4.495 3.960 -0.000 0.000 0.235 314 G HA3 0.535 4.495 3.960 -0.000 0.000 0.235 314 G C 0.973 175.949 174.900 0.126 0.000 1.282 314 G CA 1.411 46.599 45.100 0.148 0.000 0.857 314 G HN 2.074 nan 8.290 nan 0.000 0.571 315 G N 0.613 109.498 108.800 0.142 0.000 4.278 315 G HA2 -0.048 3.912 3.960 -0.000 0.000 0.160 315 G HA3 -0.048 3.912 3.960 -0.000 0.000 0.160 315 G C -0.071 174.939 174.900 0.184 0.000 2.002 315 G CA -0.392 44.789 45.100 0.135 0.000 1.013 315 G HN 0.691 nan 8.290 nan 0.000 0.315 316 L N 2.899 124.207 121.223 0.142 0.000 2.439 316 L HA 0.640 4.980 4.340 -0.000 0.000 0.269 316 L C 1.063 178.100 176.870 0.278 0.000 1.179 316 L CA 0.648 55.550 54.840 0.103 0.000 0.828 316 L CB 1.116 43.048 42.059 -0.212 0.000 1.106 316 L HN 0.726 nan 8.230 nan 0.000 0.467 317 T N -0.911 113.871 114.554 0.380 0.000 2.906 317 T HA 0.824 5.174 4.350 -0.000 0.000 0.295 317 T C -1.138 174.011 174.700 0.749 0.000 1.075 317 T CA -0.760 61.563 62.100 0.371 0.000 1.005 317 T CB 1.871 70.730 68.868 -0.015 0.000 1.136 317 T HN 0.712 nan 8.240 nan 0.000 0.498 318 W N -0.582 120.935 121.300 0.361 0.000 3.338 318 W HA 0.664 5.324 4.660 -0.000 0.000 0.299 318 W C -1.092 175.669 176.519 0.403 0.000 1.226 318 W CA -0.644 56.944 57.345 0.404 0.000 1.183 318 W CB 0.420 30.136 29.460 0.426 0.000 1.360 318 W HN 1.239 nan 8.180 nan 0.000 0.569 319 G N 1.049 110.156 108.800 0.513 0.000 2.442 319 G HA2 0.571 4.531 3.960 -0.000 0.000 0.296 319 G HA3 0.571 4.531 3.960 -0.000 0.000 0.296 319 G C -1.878 173.209 174.900 0.313 0.000 1.564 319 G CA -0.771 44.520 45.100 0.320 0.000 0.828 319 G HN 0.724 nan 8.290 nan 0.000 0.571 320 S N -0.695 115.139 115.700 0.222 0.000 2.570 320 S HA 0.818 5.288 4.470 -0.000 0.000 0.286 320 S C -0.695 173.990 174.600 0.141 0.000 1.099 320 S CA -0.665 57.652 58.200 0.194 0.000 0.913 320 S CB 1.662 64.972 63.200 0.182 0.000 1.085 320 S HN 0.587 nan 8.310 nan 0.000 0.480 321 L N 2.326 123.628 121.223 0.132 0.000 2.385 321 L HA 0.589 4.928 4.340 -0.000 0.000 0.273 321 L C -1.365 175.542 176.870 0.062 0.000 0.990 321 L CA -0.885 54.022 54.840 0.113 0.000 0.821 321 L CB 1.729 43.877 42.059 0.149 0.000 1.279 321 L HN 0.439 nan 8.230 nan 0.000 0.412 322 L N 5.694 126.941 121.223 0.041 0.000 2.280 322 L HA 0.689 5.029 4.340 -0.000 0.000 0.287 322 L C -0.831 176.008 176.870 -0.050 0.000 1.023 322 L CA -0.101 54.740 54.840 0.002 0.000 0.819 322 L CB 1.151 43.217 42.059 0.013 0.000 1.212 322 L HN 0.486 nan 8.230 nan 0.000 0.420 323 L N 1.806 122.970 121.223 -0.099 0.000 2.359 323 L HA 0.880 5.220 4.340 -0.000 0.000 0.256 323 L C -0.451 176.365 176.870 -0.090 0.000 1.026 323 L CA -0.814 53.924 54.840 -0.169 0.000 0.828 323 L CB 2.036 43.846 42.059 -0.415 0.000 1.406 323 L HN 0.549 nan 8.230 nan 0.000 0.413 324 T N -0.614 113.905 114.554 -0.058 0.000 2.821 324 T HA 0.581 4.931 4.350 -0.000 0.000 0.307 324 T C 0.179 174.935 174.700 0.094 0.000 1.034 324 T CA -0.630 61.470 62.100 -0.000 0.000 0.953 324 T CB 0.561 69.411 68.868 -0.030 0.000 0.968 324 T HN 0.531 nan 8.240 nan 0.000 0.462 325 L N 0.000 121.248 121.223 0.042 0.000 2.949 325 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 325 L CA 0.000 54.858 54.840 0.029 0.000 0.813 325 L CB 0.000 42.057 42.059 -0.003 0.000 0.961 325 L HN 0.000 nan 8.230 nan 0.000 0.502