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 2e5v_1_A DATA FIRST_RESID 1 DATA SEQUENCE MIYIIGSGIA GLSAGVALRR AGKKVTLISK RIDGGSTPIA KGGVAASVGS DATA SEQUENCE DDSPELHAQD TIRVGDGLCD VKTVNYVTSE AKNVIETFES WGFEFEEDLR DATA SEQUENCE LEGGHTKRRV LHRTDETGRE IFNFLLKLAR EEGIPIIEDR LVEIRVKDGK DATA SEQUENCE VTGFVTEKRG LVEDVDKLVL ATGGYSYLYE YSSTQSTNIG DGMAIAFKAG DATA SEQUENCE TILADMEFVQ FHPTVTSLDG EVFLLTETLR GEGAQIINEN GERFLFNYDK DATA SEQUENCE RGELAPRDIL SRAIYIEMLK GHKVFIDLSK IEDFERKFPV VAKYLARHGH DATA SEQUENCE NYKVKIPIFP AAHFVDGGIR VNIRGESNIV NLYAIGEVSD SGLHGANRLA DATA SEQUENCE SNSLLEGLVF GINLPRYVDS SWEGISTDDG IVHSVRISGN KTLSLKEIRR DATA SEQUENCE INWENVGIIR NEEKLVKAIN TYSSSTQNEA IISYLTALAA EIRKESRGNH DATA SEQUENCE FREDYPYKDP NWEKRIYFKL VV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.232 176.300 -0.113 0.000 1.140 1 M CA 0.000 55.235 55.300 -0.108 0.000 0.988 1 M CB 0.000 32.480 32.600 -0.200 0.000 1.302 2 I N 4.925 125.399 120.570 -0.161 0.000 2.336 2 I HA 0.397 4.583 4.170 0.025 0.000 0.292 2 I C -1.284 174.729 176.117 -0.174 0.000 0.991 2 I CA -0.690 60.582 61.300 -0.046 0.000 1.227 2 I CB 1.238 39.249 38.000 0.019 0.000 1.366 2 I HN 0.634 nan 8.210 nan 0.000 0.466 3 Y N 6.291 126.668 120.300 0.128 0.000 2.360 3 Y HA 0.578 5.143 4.550 0.025 0.000 0.337 3 Y C -0.003 175.912 175.900 0.024 0.000 1.039 3 Y CA -0.583 57.571 58.100 0.091 0.000 1.109 3 Y CB 1.638 40.180 38.460 0.136 0.000 1.201 3 Y HN 0.314 nan 8.280 nan 0.000 0.458 4 I N 5.059 125.722 120.570 0.154 0.000 2.418 4 I HA 0.314 4.499 4.170 0.025 0.000 0.287 4 I C -1.082 175.067 176.117 0.054 0.000 1.008 4 I CA -0.738 60.615 61.300 0.088 0.000 1.104 4 I CB 1.379 39.423 38.000 0.074 0.000 1.264 4 I HN 0.372 nan 8.210 nan 0.000 0.438 5 I N 5.411 125.985 120.570 0.006 0.000 2.297 5 I HA 0.629 4.814 4.170 0.025 0.000 0.291 5 I C 0.627 176.756 176.117 0.019 0.000 1.033 5 I CA -0.227 61.061 61.300 -0.020 0.000 1.253 5 I CB 0.185 38.130 38.000 -0.092 0.000 1.396 5 I HN 0.821 nan 8.210 nan 0.000 0.476 6 G N 4.389 113.211 108.800 0.038 0.000 2.841 6 G HA2 0.001 3.976 3.960 0.025 0.000 0.684 6 G HA3 0.001 3.976 3.960 0.025 0.000 0.684 6 G C -0.332 174.617 174.900 0.081 0.000 1.273 6 G CA -0.375 44.755 45.100 0.051 0.000 0.811 6 G HN 0.751 nan 8.290 nan 0.000 0.631 7 S N 0.632 116.396 115.700 0.107 0.000 2.525 7 S HA 0.666 5.151 4.470 0.025 0.000 0.242 7 S C 0.996 175.743 174.600 0.245 0.000 1.164 7 S CA 0.523 58.827 58.200 0.174 0.000 1.154 7 S CB 0.852 64.180 63.200 0.213 0.000 0.875 7 S HN 1.802 nan 8.310 nan 0.000 0.482 8 G N 0.783 109.676 108.800 0.154 0.000 2.568 8 G HA2 0.568 4.543 3.960 0.025 0.000 0.293 8 G HA3 0.568 4.543 3.960 0.025 0.000 0.293 8 G C 0.675 175.672 174.900 0.161 0.000 1.347 8 G CA -0.920 44.263 45.100 0.139 0.000 1.039 8 G HN 0.367 nan 8.290 nan 0.000 0.523 9 I N -0.192 120.452 120.570 0.124 0.000 2.264 9 I HA -0.193 3.992 4.170 0.025 0.000 0.248 9 I C 2.726 178.886 176.117 0.072 0.000 1.111 9 I CA 1.956 63.310 61.300 0.090 0.000 1.382 9 I CB -0.002 38.015 38.000 0.029 0.000 1.060 9 I HN 0.445 nan 8.210 nan 0.000 0.418 10 A N 0.518 123.383 122.820 0.074 0.000 1.841 10 A HA -0.086 4.250 4.320 0.025 0.000 0.214 10 A C 2.374 180.015 177.584 0.094 0.000 1.195 10 A CA 1.616 53.702 52.037 0.082 0.000 0.611 10 A CB -1.614 17.430 19.000 0.074 0.000 0.835 10 A HN 0.493 nan 8.150 nan 0.000 0.443 11 G N -0.299 108.556 108.800 0.092 0.000 2.418 11 G HA2 -0.134 3.841 3.960 0.025 0.000 0.217 11 G HA3 -0.134 3.841 3.960 0.025 0.000 0.217 11 G C 1.580 176.537 174.900 0.094 0.000 1.158 11 G CA 1.036 46.190 45.100 0.090 0.000 0.771 11 G HN 0.405 nan 8.290 nan 0.000 0.545 12 L N 1.407 122.695 121.223 0.110 0.000 2.027 12 L HA -0.106 4.249 4.340 0.025 0.000 0.206 12 L C 3.365 180.311 176.870 0.128 0.000 1.074 12 L CA 1.621 56.523 54.840 0.103 0.000 0.745 12 L CB -0.561 41.568 42.059 0.117 0.000 0.898 12 L HN 0.441 nan 8.230 nan 0.000 0.433 13 S N 0.116 115.915 115.700 0.164 0.000 2.382 13 S HA -0.144 4.341 4.470 0.025 0.000 0.228 13 S C 2.153 176.903 174.600 0.249 0.000 1.027 13 S CA 0.820 59.180 58.200 0.268 0.000 0.991 13 S CB -0.430 62.863 63.200 0.155 0.000 0.823 13 S HN 0.344 nan 8.310 nan 0.000 0.469 14 A N 2.028 124.939 122.820 0.152 0.000 1.902 14 A HA 0.234 4.569 4.320 0.025 0.000 0.217 14 A C 2.414 180.047 177.584 0.082 0.000 1.181 14 A CA 1.542 53.647 52.037 0.113 0.000 0.623 14 A CB -1.789 17.258 19.000 0.079 0.000 0.818 14 A HN 0.649 nan 8.150 nan 0.000 0.443 15 G N -0.442 108.396 108.800 0.064 0.000 2.446 15 G HA2 -0.145 3.830 3.960 0.025 0.000 0.217 15 G HA3 -0.145 3.830 3.960 0.025 0.000 0.217 15 G C 1.525 176.413 174.900 -0.020 0.000 1.168 15 G CA 1.354 46.465 45.100 0.019 0.000 0.771 15 G HN 0.323 nan 8.290 nan 0.000 0.551 16 V N 1.569 121.463 119.914 -0.033 0.000 2.343 16 V HA -0.122 4.013 4.120 0.025 0.000 0.247 16 V C 3.330 179.311 176.094 -0.189 0.000 1.051 16 V CA 2.050 64.235 62.300 -0.192 0.000 1.036 16 V CB -0.906 30.706 31.823 -0.353 0.000 0.654 16 V HN 0.489 nan 8.190 nan 0.000 0.451 17 A N -0.263 122.583 122.820 0.044 0.000 1.877 17 A HA -0.152 4.183 4.320 0.025 0.000 0.216 17 A C 2.225 179.840 177.584 0.052 0.000 1.186 17 A CA 1.807 53.941 52.037 0.161 0.000 0.620 17 A CB -0.552 18.640 19.000 0.320 0.000 0.822 17 A HN 0.493 nan 8.150 nan 0.000 0.443 18 L N -1.264 119.976 121.223 0.028 0.000 2.093 18 L HA -0.161 4.194 4.340 0.025 0.000 0.208 18 L C 2.759 179.616 176.870 -0.021 0.000 1.085 18 L CA 1.536 56.378 54.840 0.004 0.000 0.755 18 L CB -0.382 41.677 42.059 -0.000 0.000 0.904 18 L HN 0.348 nan 8.230 nan 0.000 0.435 19 R N 0.746 121.217 120.500 -0.049 0.000 2.081 19 R HA -0.122 4.233 4.340 0.025 0.000 0.235 19 R C 2.271 178.526 176.300 -0.075 0.000 1.131 19 R CA 1.549 57.608 56.100 -0.070 0.000 0.960 19 R CB -0.300 29.941 30.300 -0.099 0.000 0.856 19 R HN 0.213 nan 8.270 nan 0.000 0.436 20 R N -0.482 119.961 120.500 -0.095 0.000 2.189 20 R HA 0.058 4.413 4.340 0.025 0.000 0.223 20 R C 1.640 177.920 176.300 -0.033 0.000 1.092 20 R CA 1.049 57.096 56.100 -0.088 0.000 0.989 20 R CB -0.164 30.059 30.300 -0.128 0.000 0.876 20 R HN 0.216 nan 8.270 nan 0.000 0.457 21 A N 0.286 123.098 122.820 -0.014 0.000 2.259 21 A HA 0.227 4.562 4.320 0.025 0.000 0.208 21 A C 1.336 178.918 177.584 -0.004 0.000 1.201 21 A CA 0.725 52.763 52.037 0.001 0.000 0.824 21 A CB -0.153 18.852 19.000 0.010 0.000 0.838 21 A HN 0.442 nan 8.150 nan 0.000 0.485 22 G N -0.842 107.948 108.800 -0.016 0.000 2.176 22 G HA2 -0.217 3.758 3.960 0.025 0.000 0.253 22 G HA3 -0.217 3.758 3.960 0.025 0.000 0.253 22 G C 0.163 175.055 174.900 -0.013 0.000 0.979 22 G CA 0.314 45.405 45.100 -0.015 0.000 0.641 22 G HN 0.404 nan 8.290 nan 0.000 0.530 23 K N 0.629 121.021 120.400 -0.014 0.000 2.154 23 K HA 0.411 4.746 4.320 0.025 0.000 0.264 23 K C 0.497 177.079 176.600 -0.030 0.000 1.008 23 K CA -0.338 55.942 56.287 -0.012 0.000 0.937 23 K CB 0.980 33.480 32.500 -0.001 0.000 1.002 23 K HN 0.275 nan 8.250 nan 0.000 0.469 24 K N 1.475 121.854 120.400 -0.035 0.000 2.276 24 K HA 0.306 4.641 4.320 0.025 0.000 0.285 24 K C -0.499 176.047 176.600 -0.090 0.000 1.062 24 K CA -0.435 55.817 56.287 -0.058 0.000 0.918 24 K CB 0.973 33.439 32.500 -0.056 0.000 1.055 24 K HN 0.192 nan 8.250 nan 0.000 0.477 25 V N 2.066 121.922 119.914 -0.097 0.000 2.876 25 V HA 0.408 4.543 4.120 0.025 0.000 0.312 25 V C -0.429 175.590 176.094 -0.124 0.000 1.085 25 V CA -0.853 61.378 62.300 -0.115 0.000 0.945 25 V CB 2.373 34.159 31.823 -0.062 0.000 1.017 25 V HN 0.742 nan 8.190 nan 0.000 0.428 26 T N 4.513 118.973 114.554 -0.156 0.000 2.881 26 T HA 0.632 4.998 4.350 0.025 0.000 0.290 26 T C -0.771 173.964 174.700 0.060 0.000 1.000 26 T CA -0.345 61.720 62.100 -0.058 0.000 0.978 26 T CB 1.306 70.119 68.868 -0.092 0.000 0.997 26 T HN 0.383 nan 8.240 nan 0.000 0.443 27 L N 4.001 125.269 121.223 0.076 0.000 2.295 27 L HA 0.647 5.002 4.340 0.025 0.000 0.285 27 L C -0.668 176.272 176.870 0.116 0.000 1.035 27 L CA -0.757 54.137 54.840 0.090 0.000 0.806 27 L CB 1.122 43.215 42.059 0.057 0.000 1.214 27 L HN 0.523 nan 8.230 nan 0.000 0.426 28 I N 2.473 123.112 120.570 0.115 0.000 2.466 28 I HA 0.406 4.591 4.170 0.025 0.000 0.289 28 I C -0.496 175.661 176.117 0.068 0.000 1.026 28 I CA -0.230 61.133 61.300 0.105 0.000 1.078 28 I CB 2.127 40.202 38.000 0.125 0.000 1.249 28 I HN 0.462 nan 8.210 nan 0.000 0.429 29 S N 4.458 120.199 115.700 0.068 0.000 2.546 29 S HA 0.272 4.757 4.470 0.025 0.000 0.272 29 S C 0.569 175.198 174.600 0.048 0.000 1.140 29 S CA -0.857 57.376 58.200 0.056 0.000 0.920 29 S CB 1.472 64.717 63.200 0.074 0.000 1.083 29 S HN 0.795 nan 8.310 nan 0.000 0.476 30 K N 2.952 123.371 120.400 0.032 0.000 2.280 30 K HA 0.056 4.391 4.320 0.025 0.000 0.202 30 K C 0.731 177.344 176.600 0.022 0.000 1.047 30 K CA 0.670 56.971 56.287 0.024 0.000 0.942 30 K CB 0.133 32.639 32.500 0.010 0.000 0.739 30 K HN 0.417 nan 8.250 nan 0.000 0.457 31 R N 0.836 121.351 120.500 0.025 0.000 2.605 31 R HA 0.133 4.488 4.340 0.025 0.000 0.291 31 R C 0.555 176.889 176.300 0.055 0.000 1.226 31 R CA -0.459 55.658 56.100 0.027 0.000 0.981 31 R CB 0.932 31.228 30.300 -0.005 0.000 1.215 31 R HN -0.016 nan 8.270 nan 0.000 0.428 32 I N 2.138 122.768 120.570 0.099 0.000 2.185 32 I HA -0.277 3.908 4.170 0.025 0.000 0.246 32 I C 1.342 177.620 176.117 0.268 0.000 1.088 32 I CA 1.692 63.104 61.300 0.187 0.000 1.347 32 I CB -0.657 37.458 38.000 0.191 0.000 1.041 32 I HN 0.640 nan 8.210 nan 0.000 0.415 33 D N 0.137 120.628 120.400 0.152 0.000 2.491 33 D HA 0.204 4.859 4.640 0.025 0.000 0.228 33 D C 0.854 177.040 176.300 -0.190 0.000 1.183 33 D CA -0.125 53.829 54.000 -0.077 0.000 0.827 33 D CB -0.408 40.429 40.800 0.063 0.000 0.989 33 D HN 0.189 nan 8.370 nan 0.000 0.494 34 G N -0.908 107.820 108.800 -0.120 0.000 2.531 34 G HA2 0.588 4.564 3.960 0.025 0.000 0.281 34 G HA3 0.588 4.564 3.960 0.025 0.000 0.281 34 G C 0.539 175.353 174.900 -0.144 0.000 1.382 34 G CA -0.013 45.018 45.100 -0.115 0.000 1.045 34 G HN 0.651 nan 8.290 nan 0.000 0.533 35 G N -1.674 107.061 108.800 -0.108 0.000 2.741 35 G HA2 -0.038 3.937 3.960 0.025 0.000 0.222 35 G HA3 -0.038 3.937 3.960 0.025 0.000 0.222 35 G C 0.937 175.781 174.900 -0.094 0.000 1.364 35 G CA 0.413 45.458 45.100 -0.091 0.000 0.866 35 G HN 1.236 nan 8.290 nan 0.000 0.555 36 S N -0.784 114.873 115.700 -0.071 0.000 2.458 36 S HA 0.046 4.532 4.470 0.025 0.000 0.223 36 S C 2.536 177.099 174.600 -0.062 0.000 1.019 36 S CA 1.691 59.856 58.200 -0.058 0.000 0.937 36 S CB -0.175 62.995 63.200 -0.050 0.000 0.788 36 S HN 0.882 nan 8.310 nan 0.000 0.511 37 T N 3.357 117.870 114.554 -0.068 0.000 2.635 37 T HA -0.094 4.271 4.350 0.025 0.000 0.267 37 T C -0.742 173.911 174.700 -0.079 0.000 1.040 37 T CA 1.602 63.672 62.100 -0.049 0.000 1.156 37 T CB -1.492 67.368 68.868 -0.013 0.000 0.863 37 T HN 0.337 nan 8.240 nan 0.000 0.430 38 P HA 0.011 nan 4.420 nan 0.000 0.218 38 P C 1.314 178.577 177.300 -0.063 0.000 1.148 38 P CA 0.878 63.828 63.100 -0.249 0.000 0.822 38 P CB -0.355 31.035 31.700 -0.516 0.000 0.784 39 I N -5.584 114.960 120.570 -0.044 0.000 3.904 39 I HA 0.435 4.620 4.170 0.025 0.000 0.333 39 I C 0.381 176.513 176.117 0.026 0.000 1.361 39 I CA -0.745 60.563 61.300 0.014 0.000 1.116 39 I CB -0.198 37.815 38.000 0.022 0.000 1.028 39 I HN -0.271 nan 8.210 nan 0.000 0.398 40 A N 1.749 124.580 122.820 0.019 0.000 2.404 40 A HA 0.353 4.688 4.320 0.025 0.000 0.273 40 A C 0.700 178.305 177.584 0.035 0.000 1.144 40 A CA -0.263 51.785 52.037 0.018 0.000 0.806 40 A CB 0.213 19.218 19.000 0.009 0.000 1.080 40 A HN 0.479 nan 8.150 nan 0.000 0.509 41 K N 2.587 122.999 120.400 0.020 0.000 2.414 41 K HA 0.175 4.510 4.320 0.025 0.000 0.204 41 K C 1.152 177.782 176.600 0.050 0.000 1.026 41 K CA 0.397 56.714 56.287 0.051 0.000 1.108 41 K CB 0.955 33.487 32.500 0.053 0.000 0.855 41 K HN 0.782 nan 8.250 nan 0.000 0.517 42 G N 0.231 109.023 108.800 -0.015 0.000 3.434 42 G HA2 0.550 4.525 3.960 0.025 0.000 0.192 42 G HA3 0.550 4.525 3.960 0.025 0.000 0.192 42 G C 0.084 174.707 174.900 -0.461 0.000 1.704 42 G CA 0.084 45.154 45.100 -0.051 0.000 0.936 42 G HN 0.265 nan 8.290 nan 0.000 0.623 43 G N -2.199 106.327 108.800 -0.456 0.000 2.782 43 G HA2 0.499 4.474 3.960 0.025 0.000 0.304 43 G HA3 0.499 4.474 3.960 0.025 0.000 0.304 43 G C -1.974 172.789 174.900 -0.228 0.000 1.315 43 G CA -0.213 44.559 45.100 -0.547 0.000 0.791 43 G HN 0.806 nan 8.290 nan 0.000 0.519 44 V N 0.934 120.717 119.914 -0.217 0.000 2.409 44 V HA 0.669 4.804 4.120 0.025 0.000 0.291 44 V C 0.643 176.628 176.094 -0.182 0.000 1.020 44 V CA -0.616 61.582 62.300 -0.170 0.000 0.848 44 V CB 0.929 32.635 31.823 -0.194 0.000 0.990 44 V HN 1.164 nan 8.190 nan 0.000 0.430 45 A N 3.953 126.725 122.820 -0.080 0.000 2.440 45 A HA 0.816 5.151 4.320 0.025 0.000 0.251 45 A C 0.366 177.906 177.584 -0.073 0.000 1.089 45 A CA 0.370 52.365 52.037 -0.070 0.000 0.779 45 A CB 0.434 19.488 19.000 0.090 0.000 1.022 45 A HN 1.834 nan 8.150 nan 0.000 0.492 46 A N 1.900 124.623 122.820 -0.162 0.000 2.511 46 A HA 0.527 4.862 4.320 0.025 0.000 0.292 46 A C 0.111 177.620 177.584 -0.124 0.000 1.045 46 A CA 0.114 52.093 52.037 -0.096 0.000 0.870 46 A CB 0.097 19.027 19.000 -0.117 0.000 1.361 46 A HN 1.933 nan 8.150 nan 0.000 0.396 47 S N 1.696 117.357 115.700 -0.065 0.000 3.593 47 S HA 0.191 4.676 4.470 0.025 0.000 0.224 47 S C 1.002 175.581 174.600 -0.034 0.000 1.333 47 S CA 0.377 58.543 58.200 -0.056 0.000 1.164 47 S CB -1.002 62.212 63.200 0.023 0.000 1.281 47 S HN 1.836 nan 8.310 nan 0.000 0.457 48 V N -1.917 117.966 119.914 -0.050 0.000 3.649 48 V HA 0.418 4.554 4.120 0.025 0.000 0.275 48 V C 1.078 177.153 176.094 -0.032 0.000 1.281 48 V CA 0.059 62.337 62.300 -0.036 0.000 1.143 48 V CB -1.201 30.599 31.823 -0.038 0.000 0.892 48 V HN 0.564 nan 8.190 nan 0.000 0.441 49 G N 0.989 109.766 108.800 -0.039 0.000 2.527 49 G HA2 0.314 4.289 3.960 0.025 0.000 0.248 49 G HA3 0.314 4.289 3.960 0.025 0.000 0.248 49 G C 1.049 175.936 174.900 -0.022 0.000 1.231 49 G CA 0.429 45.509 45.100 -0.032 0.000 0.838 49 G HN 0.645 nan 8.290 nan 0.000 0.570 50 S N 0.027 115.716 115.700 -0.019 0.000 2.419 50 S HA -0.160 4.325 4.470 0.025 0.000 0.233 50 S C 1.352 175.945 174.600 -0.012 0.000 1.016 50 S CA 1.583 59.774 58.200 -0.014 0.000 0.974 50 S CB -0.061 63.131 63.200 -0.013 0.000 0.786 50 S HN 0.663 nan 8.310 nan 0.000 0.492 51 D N 0.021 120.412 120.400 -0.014 0.000 2.368 51 D HA 0.290 4.945 4.640 0.025 0.000 0.218 51 D C -0.073 176.221 176.300 -0.010 0.000 1.112 51 D CA -0.321 53.673 54.000 -0.011 0.000 0.834 51 D CB -0.205 40.588 40.800 -0.012 0.000 0.953 51 D HN 0.289 nan 8.370 nan 0.000 0.505 52 D N -0.228 120.165 120.400 -0.012 0.000 2.525 52 D HA 0.623 5.278 4.640 0.025 0.000 0.249 52 D C -0.868 175.432 176.300 0.000 0.000 1.072 52 D CA -0.473 53.522 54.000 -0.009 0.000 1.067 52 D CB 1.970 42.755 40.800 -0.024 0.000 1.282 52 D HN 0.056 nan 8.370 nan 0.000 0.587 53 S N -1.232 114.476 115.700 0.013 0.000 2.597 53 S HA 0.380 4.865 4.470 0.025 0.000 0.274 53 S C -2.614 172.016 174.600 0.050 0.000 1.132 53 S CA -0.878 57.335 58.200 0.021 0.000 0.835 53 S CB 1.568 64.776 63.200 0.014 0.000 1.092 53 S HN 0.155 nan 8.310 nan 0.000 0.457 54 P HA -0.060 nan 4.420 nan 0.000 0.215 54 P C 0.977 178.300 177.300 0.038 0.000 1.153 54 P CA 1.527 64.658 63.100 0.051 0.000 0.853 54 P CB 0.028 31.733 31.700 0.009 0.000 0.788 55 E N -1.008 119.205 120.200 0.022 0.000 2.110 55 E HA -0.148 4.218 4.350 0.025 0.000 0.193 55 E C 1.811 178.424 176.600 0.022 0.000 0.988 55 E CA 0.748 57.154 56.400 0.011 0.000 0.804 55 E CB -1.076 28.628 29.700 0.006 0.000 0.745 55 E HN 0.112 nan 8.360 nan 0.000 0.458 56 L N 0.116 121.362 121.223 0.038 0.000 2.072 56 L HA -0.124 4.231 4.340 0.025 0.000 0.205 56 L C 2.181 179.097 176.870 0.077 0.000 1.079 56 L CA 1.971 56.835 54.840 0.040 0.000 0.752 56 L CB -0.589 41.488 42.059 0.031 0.000 0.906 56 L HN 0.292 nan 8.230 nan 0.000 0.436 57 H N -1.055 117.995 119.070 -0.032 0.000 2.352 57 H HA -0.156 4.415 4.556 0.024 0.000 0.299 57 H C 2.020 177.310 175.328 -0.064 0.000 1.097 57 H CA 1.021 57.040 56.048 -0.048 0.000 1.311 57 H CB 0.335 30.077 29.762 -0.033 0.000 1.377 57 H HN 0.484 nan 8.280 nan 0.000 0.504 58 A N 0.719 123.527 122.820 -0.020 0.000 1.902 58 A HA -0.243 4.092 4.320 0.025 0.000 0.217 58 A C 2.350 179.903 177.584 -0.052 0.000 1.181 58 A CA 1.712 53.691 52.037 -0.096 0.000 0.623 58 A CB -0.799 18.159 19.000 -0.069 0.000 0.818 58 A HN 0.678 nan 8.150 nan 0.000 0.443 59 Q N -0.477 119.312 119.800 -0.018 0.000 2.084 59 Q HA -0.244 4.111 4.340 0.025 0.000 0.202 59 Q C 1.203 177.190 176.000 -0.023 0.000 0.978 59 Q CA 1.928 57.722 55.803 -0.016 0.000 0.844 59 Q CB -0.207 28.529 28.738 -0.005 0.000 0.898 59 Q HN 0.582 nan 8.270 nan 0.000 0.426 60 D N -0.302 120.086 120.400 -0.020 0.000 2.144 60 D HA -0.107 4.548 4.640 0.025 0.000 0.200 60 D C 1.834 178.091 176.300 -0.073 0.000 0.978 60 D CA 1.730 55.699 54.000 -0.051 0.000 0.833 60 D CB -0.321 40.428 40.800 -0.086 0.000 0.961 60 D HN 0.297 nan 8.370 nan 0.000 0.470 61 T N 1.521 116.034 114.554 -0.068 0.000 2.737 61 T HA -0.083 4.282 4.350 0.025 0.000 0.265 61 T C 2.005 176.668 174.700 -0.061 0.000 1.038 61 T CA 0.431 62.484 62.100 -0.079 0.000 1.144 61 T CB -0.011 68.783 68.868 -0.123 0.000 0.866 61 T HN 0.070 nan 8.240 nan 0.000 0.434 62 I N 1.443 121.980 120.570 -0.056 0.000 2.208 62 I HA -0.133 4.052 4.170 0.025 0.000 0.245 62 I C 2.574 178.671 176.117 -0.035 0.000 1.097 62 I CA 1.308 62.581 61.300 -0.043 0.000 1.363 62 I CB -1.082 36.897 38.000 -0.034 0.000 1.051 62 I HN 0.247 nan 8.210 nan 0.000 0.413 63 R N 1.298 121.779 120.500 -0.031 0.000 2.080 63 R HA -0.165 4.190 4.340 0.025 0.000 0.236 63 R C 2.345 178.632 176.300 -0.022 0.000 1.137 63 R CA 2.619 58.706 56.100 -0.022 0.000 0.943 63 R CB -0.225 30.062 30.300 -0.021 0.000 0.846 63 R HN 0.342 nan 8.270 nan 0.000 0.431 64 V N -1.807 118.089 119.914 -0.031 0.000 2.809 64 V HA 0.077 4.212 4.120 0.025 0.000 0.256 64 V C 2.106 178.181 176.094 -0.032 0.000 1.080 64 V CA 1.701 63.986 62.300 -0.026 0.000 1.102 64 V CB -1.123 30.681 31.823 -0.032 0.000 0.705 64 V HN 0.440 nan 8.190 nan 0.000 0.475 65 G N -0.291 108.484 108.800 -0.043 0.000 2.498 65 G HA2 -0.230 3.745 3.960 0.025 0.000 0.219 65 G HA3 -0.230 3.745 3.960 0.025 0.000 0.219 65 G C 0.751 175.597 174.900 -0.090 0.000 1.119 65 G CA 0.845 45.904 45.100 -0.069 0.000 0.766 65 G HN 0.668 nan 8.290 nan 0.000 0.552 66 D N -1.402 118.971 120.400 -0.046 0.000 2.751 66 D HA -0.140 4.515 4.640 0.025 0.000 0.233 66 D C 1.552 177.840 176.300 -0.019 0.000 1.149 66 D CA 1.802 55.790 54.000 -0.021 0.000 0.682 66 D CB -1.369 39.428 40.800 -0.005 0.000 1.068 66 D HN 1.027 nan 8.370 nan 0.000 0.429 67 G N -1.649 107.136 108.800 -0.025 0.000 2.176 67 G HA2 -0.296 3.679 3.960 0.025 0.000 0.253 67 G HA3 -0.296 3.679 3.960 0.025 0.000 0.253 67 G C 0.778 175.663 174.900 -0.025 0.000 0.979 67 G CA 0.329 45.423 45.100 -0.009 0.000 0.641 67 G HN 0.487 nan 8.290 nan 0.000 0.530 68 L N 0.645 121.818 121.223 -0.083 0.000 2.640 68 L HA 0.277 4.632 4.340 0.025 0.000 0.230 68 L C 1.342 178.159 176.870 -0.089 0.000 1.123 68 L CA 0.255 55.031 54.840 -0.106 0.000 0.900 68 L CB -0.249 41.650 42.059 -0.266 0.000 1.146 68 L HN 0.403 nan 8.230 nan 0.000 0.484 69 C N 1.271 120.527 119.300 -0.074 0.000 2.653 69 C HA 0.011 4.486 4.460 0.025 0.000 0.421 69 C C 1.043 176.014 174.990 -0.032 0.000 1.334 69 C CA -0.679 58.305 59.018 -0.057 0.000 1.885 69 C CB 0.169 27.876 27.740 -0.056 0.000 2.645 69 C HN 0.304 nan 8.230 nan 0.000 0.601 70 D N 2.711 123.097 120.400 -0.023 0.000 2.352 70 D HA 0.080 4.735 4.640 0.025 0.000 0.245 70 D C 1.033 177.330 176.300 -0.006 0.000 1.224 70 D CA 0.018 54.017 54.000 -0.001 0.000 0.879 70 D CB 1.070 41.880 40.800 0.016 0.000 1.057 70 D HN 0.389 nan 8.370 nan 0.000 0.491 71 V N 5.227 125.138 119.914 -0.006 0.000 2.380 71 V HA -0.260 3.875 4.120 0.025 0.000 0.251 71 V C 2.592 178.686 176.094 0.001 0.000 1.063 71 V CA 1.874 64.169 62.300 -0.008 0.000 1.055 71 V CB -0.515 31.304 31.823 -0.006 0.000 0.657 71 V HN 0.611 nan 8.190 nan 0.000 0.455 72 K N -0.275 120.128 120.400 0.005 0.000 2.026 72 K HA -0.202 4.133 4.320 0.025 0.000 0.208 72 K C 2.193 178.816 176.600 0.040 0.000 1.048 72 K CA 2.056 58.349 56.287 0.010 0.000 0.929 72 K CB -0.311 32.182 32.500 -0.012 0.000 0.713 72 K HN 0.505 nan 8.250 nan 0.000 0.439 73 T N 0.782 115.362 114.554 0.044 0.000 2.746 73 T HA -0.103 4.262 4.350 0.025 0.000 0.267 73 T C 1.875 176.635 174.700 0.100 0.000 1.039 73 T CA 1.383 63.548 62.100 0.109 0.000 1.142 73 T CB -0.135 68.796 68.868 0.106 0.000 0.866 73 T HN 0.011 nan 8.240 nan 0.000 0.444 74 V N 2.632 122.555 119.914 0.014 0.000 2.287 74 V HA -0.200 3.935 4.120 0.025 0.000 0.248 74 V C 2.459 178.520 176.094 -0.055 0.000 1.053 74 V CA 1.559 63.829 62.300 -0.051 0.000 1.027 74 V CB -0.594 31.185 31.823 -0.073 0.000 0.646 74 V HN 0.464 nan 8.190 nan 0.000 0.447 75 N N -0.792 117.902 118.700 -0.010 0.000 2.166 75 N HA -0.183 4.572 4.740 0.025 0.000 0.186 75 N C 1.770 177.291 175.510 0.019 0.000 1.019 75 N CA 1.709 54.755 53.050 -0.007 0.000 0.856 75 N CB -0.406 38.089 38.487 0.013 0.000 0.993 75 N HN 0.679 nan 8.380 nan 0.000 0.426 76 Y N 1.869 122.131 120.300 -0.065 0.000 2.133 76 Y HA -0.124 4.440 4.550 0.023 0.000 0.287 76 Y C 2.222 178.073 175.900 -0.082 0.000 1.134 76 Y CA 1.168 59.225 58.100 -0.072 0.000 1.133 76 Y CB -0.532 37.876 38.460 -0.088 0.000 0.987 76 Y HN -0.215 nan 8.280 nan 0.000 0.502 77 V N 0.420 120.205 119.914 -0.214 0.000 2.343 77 V HA -0.315 3.820 4.120 0.025 0.000 0.247 77 V C 2.572 178.515 176.094 -0.251 0.000 1.051 77 V CA 2.572 64.697 62.300 -0.291 0.000 1.036 77 V CB -1.450 30.333 31.823 -0.066 0.000 0.654 77 V HN 0.711 nan 8.190 nan 0.000 0.451 78 T N -1.087 113.333 114.554 -0.223 0.000 2.904 78 T HA -0.146 4.219 4.350 0.025 0.000 0.267 78 T C 1.899 176.539 174.700 -0.100 0.000 1.059 78 T CA 1.546 63.527 62.100 -0.199 0.000 1.137 78 T CB -0.501 68.199 68.868 -0.279 0.000 0.879 78 T HN 0.605 nan 8.240 nan 0.000 0.467 79 S N 0.953 116.579 115.700 -0.124 0.000 2.489 79 S HA 0.066 4.551 4.470 0.025 0.000 0.228 79 S C 1.851 176.372 174.600 -0.131 0.000 0.995 79 S CA 0.148 58.294 58.200 -0.092 0.000 0.934 79 S CB -0.177 62.987 63.200 -0.060 0.000 0.771 79 S HN 0.412 nan 8.310 nan 0.000 0.522 80 E N 1.481 121.538 120.200 -0.237 0.000 2.276 80 E HA 0.276 4.641 4.350 0.025 0.000 0.193 80 E C 2.333 178.828 176.600 -0.174 0.000 0.983 80 E CA 0.739 56.980 56.400 -0.266 0.000 0.861 80 E CB -0.499 28.885 29.700 -0.526 0.000 0.817 80 E HN 0.563 nan 8.360 nan 0.000 0.485 81 A N 2.455 125.194 122.820 -0.135 0.000 1.894 81 A HA -0.350 3.985 4.320 0.025 0.000 0.220 81 A C 2.186 179.736 177.584 -0.057 0.000 1.237 81 A CA 2.573 54.567 52.037 -0.071 0.000 0.660 81 A CB -0.653 18.351 19.000 0.007 0.000 0.835 81 A HN 0.222 nan 8.150 nan 0.000 0.461 82 K N 0.132 120.507 120.400 -0.043 0.000 1.991 82 K HA -0.278 4.058 4.320 0.025 0.000 0.212 82 K C 1.807 178.390 176.600 -0.030 0.000 1.049 82 K CA 2.213 58.482 56.287 -0.031 0.000 0.932 82 K CB -0.428 32.058 32.500 -0.023 0.000 0.717 82 K HN 0.777 nan 8.250 nan 0.000 0.441 83 N N -0.383 118.291 118.700 -0.043 0.000 2.289 83 N HA -0.135 4.620 4.740 0.025 0.000 0.184 83 N C 1.500 176.976 175.510 -0.056 0.000 1.016 83 N CA 1.212 54.237 53.050 -0.042 0.000 0.872 83 N CB -0.220 38.239 38.487 -0.046 0.000 0.973 83 N HN -0.010 nan 8.380 nan 0.000 0.433 84 V N 0.566 120.433 119.914 -0.077 0.000 2.379 84 V HA -0.097 4.038 4.120 0.025 0.000 0.245 84 V C 2.265 178.326 176.094 -0.056 0.000 1.044 84 V CA 0.914 63.154 62.300 -0.100 0.000 1.036 84 V CB -0.441 31.307 31.823 -0.125 0.000 0.664 84 V HN 0.324 nan 8.190 nan 0.000 0.453 85 I N 0.329 120.899 120.570 0.000 0.000 2.226 85 I HA -0.200 3.985 4.170 0.025 0.000 0.245 85 I C 2.510 178.715 176.117 0.146 0.000 1.100 85 I CA 1.632 63.008 61.300 0.126 0.000 1.374 85 I CB -1.136 36.908 38.000 0.074 0.000 1.057 85 I HN 0.468 nan 8.210 nan 0.000 0.413 86 E N 0.043 120.276 120.200 0.056 0.000 2.110 86 E HA -0.175 4.191 4.350 0.025 0.000 0.193 86 E C 2.074 178.672 176.600 -0.003 0.000 0.988 86 E CA 1.739 58.162 56.400 0.038 0.000 0.804 86 E CB -0.142 29.567 29.700 0.017 0.000 0.745 86 E HN 0.438 nan 8.360 nan 0.000 0.458 87 T N 0.943 115.459 114.554 -0.064 0.000 2.777 87 T HA -0.146 4.219 4.350 0.025 0.000 0.266 87 T C 1.452 175.908 174.700 -0.408 0.000 1.040 87 T CA 0.885 62.878 62.100 -0.179 0.000 1.141 87 T CB -0.336 68.402 68.868 -0.216 0.000 0.868 87 T HN 0.134 nan 8.240 nan 0.000 0.444 88 F N 2.236 121.870 119.950 -0.527 0.000 2.171 88 F HA -0.054 4.489 4.527 0.026 0.000 0.300 88 F C 2.172 177.899 175.800 -0.120 0.000 1.090 88 F CA 1.155 58.836 58.000 -0.532 0.000 1.293 88 F CB -0.352 38.481 39.000 -0.277 0.000 1.013 88 F HN 0.218 nan 8.300 nan 0.000 0.486 89 E N -0.583 119.584 120.200 -0.055 0.000 2.208 89 E HA -0.144 4.222 4.350 0.025 0.000 0.193 89 E C 2.310 178.902 176.600 -0.012 0.000 0.988 89 E CA 1.141 57.496 56.400 -0.074 0.000 0.828 89 E CB -0.261 29.462 29.700 0.039 0.000 0.763 89 E HN 0.490 nan 8.360 nan 0.000 0.478 90 S N 0.134 115.856 115.700 0.036 0.000 2.423 90 S HA -0.131 4.354 4.470 0.025 0.000 0.231 90 S C 1.462 176.238 174.600 0.293 0.000 1.014 90 S CA 0.212 58.490 58.200 0.130 0.000 0.965 90 S CB -0.375 62.908 63.200 0.138 0.000 0.785 90 S HN 0.309 nan 8.310 nan 0.000 0.495 91 W N 2.080 123.427 121.300 0.077 0.000 2.525 91 W HA 0.387 5.062 4.660 0.026 0.000 0.259 91 W C 1.836 178.498 176.519 0.238 0.000 1.253 91 W CA 0.281 57.713 57.345 0.146 0.000 1.262 91 W CB -1.145 28.447 29.460 0.220 0.000 1.122 91 W HN 0.591 nan 8.180 nan 0.000 0.607 92 G N -2.007 106.981 108.800 0.314 0.000 2.173 92 G HA2 -0.188 3.787 3.960 0.025 0.000 0.142 92 G HA3 -0.188 3.787 3.960 0.025 0.000 0.142 92 G C -0.546 174.200 174.900 -0.257 0.000 1.019 92 G CA -0.707 44.499 45.100 0.177 0.000 0.699 92 G HN 0.067 nan 8.290 nan 0.000 0.495 93 F N 1.571 121.023 119.950 -0.830 0.000 2.443 93 F HA 0.740 5.282 4.527 0.025 0.000 0.335 93 F C -0.008 175.350 175.800 -0.737 0.000 1.104 93 F CA -0.954 56.261 58.000 -1.308 0.000 1.013 93 F CB 1.601 39.347 39.000 -2.090 0.000 1.136 93 F HN 0.043 nan 8.300 nan 0.000 0.470 94 E N 5.776 125.326 120.200 -1.083 0.000 2.216 94 E HA 0.285 4.651 4.350 0.025 0.000 0.260 94 E C -1.494 174.736 176.600 -0.617 0.000 0.880 94 E CA -0.613 55.434 56.400 -0.589 0.000 0.765 94 E CB 0.995 30.473 29.700 -0.370 0.000 1.174 94 E HN 0.492 nan 8.360 nan 0.000 0.417 95 F N 1.776 121.645 119.950 -0.135 0.000 2.378 95 F HA 0.221 4.764 4.527 0.027 0.000 0.319 95 F C 1.152 176.926 175.800 -0.043 0.000 1.155 95 F CA -0.242 57.752 58.000 -0.011 0.000 1.157 95 F CB 0.709 39.787 39.000 0.131 0.000 1.252 95 F HN 0.421 nan 8.300 nan 0.000 0.550 96 E N 0.665 121.002 120.200 0.229 0.000 2.374 96 E HA 0.025 4.390 4.350 0.025 0.000 0.260 96 E C 0.585 177.240 176.600 0.091 0.000 1.101 96 E CA -0.370 56.092 56.400 0.104 0.000 0.907 96 E CB 0.629 30.384 29.700 0.091 0.000 1.014 96 E HN 0.491 nan 8.360 nan 0.000 0.427 97 E N 0.949 121.172 120.200 0.038 0.000 2.152 97 E HA -0.108 4.257 4.350 0.025 0.000 0.192 97 E C 0.011 176.613 176.600 0.004 0.000 0.983 97 E CA 0.666 57.078 56.400 0.020 0.000 0.818 97 E CB -0.087 29.615 29.700 0.003 0.000 0.758 97 E HN 0.405 nan 8.360 nan 0.000 0.467 98 D N 0.680 121.076 120.400 -0.006 0.000 2.371 98 D HA 0.062 4.717 4.640 0.025 0.000 0.256 98 D C -0.484 175.796 176.300 -0.034 0.000 1.193 98 D CA -0.006 53.975 54.000 -0.031 0.000 0.881 98 D CB 0.333 41.102 40.800 -0.051 0.000 1.143 98 D HN -0.097 nan 8.370 nan 0.000 0.473 99 L N 4.457 125.654 121.223 -0.044 0.000 2.281 99 L HA 0.362 4.717 4.340 0.025 0.000 0.285 99 L C 1.002 177.827 176.870 -0.077 0.000 1.074 99 L CA -0.768 54.041 54.840 -0.051 0.000 0.817 99 L CB 0.799 42.822 42.059 -0.060 0.000 1.168 99 L HN 0.217 nan 8.230 nan 0.000 0.434 100 R N 1.976 122.428 120.500 -0.080 0.000 2.637 100 R HA 0.504 4.859 4.340 0.025 0.000 0.269 100 R C -0.614 175.617 176.300 -0.115 0.000 1.089 100 R CA -0.423 55.602 56.100 -0.126 0.000 1.177 100 R CB 0.561 30.743 30.300 -0.196 0.000 1.091 100 R HN 0.358 nan 8.270 nan 0.000 0.540 101 L N 0.226 121.378 121.223 -0.118 0.000 2.331 101 L HA 0.484 4.839 4.340 0.025 0.000 0.275 101 L C -0.878 175.906 176.870 -0.144 0.000 1.022 101 L CA 0.031 54.794 54.840 -0.128 0.000 0.812 101 L CB 1.597 43.608 42.059 -0.079 0.000 1.257 101 L HN 0.508 nan 8.230 nan 0.000 0.435 102 E N 2.211 122.280 120.200 -0.217 0.000 2.340 102 E HA 0.426 4.791 4.350 0.025 0.000 0.273 102 E C -0.799 175.806 176.600 0.009 0.000 0.891 102 E CA -0.718 55.583 56.400 -0.164 0.000 0.757 102 E CB 1.857 31.344 29.700 -0.355 0.000 1.231 102 E HN 0.870 nan 8.360 nan 0.000 0.439 103 G N -0.314 108.513 108.800 0.045 0.000 2.353 103 G HA2 0.315 4.290 3.960 0.025 0.000 0.239 103 G HA3 0.315 4.290 3.960 0.025 0.000 0.239 103 G C 0.918 175.911 174.900 0.155 0.000 1.295 103 G CA 0.812 45.956 45.100 0.072 0.000 0.884 103 G HN 0.679 nan 8.290 nan 0.000 0.537 104 G N 1.600 110.468 108.800 0.113 0.000 2.279 104 G HA2 -0.227 3.748 3.960 0.025 0.000 0.223 104 G HA3 -0.227 3.748 3.960 0.025 0.000 0.223 104 G C 0.334 175.252 174.900 0.030 0.000 1.015 104 G CA 0.412 45.550 45.100 0.062 0.000 0.621 104 G HN 1.015 nan 8.290 nan 0.000 0.506 105 H N 0.840 119.901 119.070 -0.014 0.000 2.548 105 H HA 0.606 5.179 4.556 0.029 0.000 0.331 105 H C 1.473 176.788 175.328 -0.023 0.000 1.093 105 H CA 0.711 56.745 56.048 -0.023 0.000 1.367 105 H CB 1.510 31.239 29.762 -0.053 0.000 1.455 105 H HN 0.080 nan 8.280 nan 0.000 0.519 106 T N 2.716 117.315 114.554 0.076 0.000 2.985 106 T HA 0.026 4.391 4.350 0.025 0.000 0.266 106 T C 0.501 175.220 174.700 0.031 0.000 1.076 106 T CA 0.870 62.993 62.100 0.039 0.000 1.135 106 T CB 0.134 69.013 68.868 0.019 0.000 0.890 106 T HN 0.303 nan 8.240 nan 0.000 0.480 107 K N 0.882 121.304 120.400 0.037 0.000 2.444 107 K HA 0.486 4.822 4.320 0.025 0.000 0.252 107 K C -0.622 175.972 176.600 -0.010 0.000 0.993 107 K CA -0.804 55.486 56.287 0.006 0.000 0.847 107 K CB 1.527 34.022 32.500 -0.007 0.000 1.340 107 K HN -0.018 nan 8.250 nan 0.000 0.446 108 R N 1.564 122.041 120.500 -0.038 0.000 2.370 108 R HA 0.107 4.462 4.340 0.025 0.000 0.309 108 R C 0.905 177.155 176.300 -0.083 0.000 1.059 108 R CA 0.304 56.362 56.100 -0.070 0.000 0.981 108 R CB 0.272 30.533 30.300 -0.064 0.000 0.972 108 R HN 0.630 nan 8.270 nan 0.000 0.437 109 R N -0.001 120.426 120.500 -0.121 0.000 2.478 109 R HA 0.136 4.491 4.340 0.025 0.000 0.377 109 R C -1.008 175.195 176.300 -0.162 0.000 0.853 109 R CA -0.325 55.693 56.100 -0.137 0.000 1.113 109 R CB 0.245 30.446 30.300 -0.165 0.000 1.725 109 R HN 0.192 nan 8.270 nan 0.000 0.524 110 V N 2.905 122.731 119.914 -0.146 0.000 2.368 110 V HA 0.317 4.452 4.120 0.025 0.000 0.266 110 V C 0.237 176.335 176.094 0.007 0.000 1.045 110 V CA -0.487 61.752 62.300 -0.102 0.000 0.899 110 V CB 1.208 32.993 31.823 -0.063 0.000 1.006 110 V HN 0.207 nan 8.190 nan 0.000 0.470 111 L N 5.850 126.984 121.223 -0.149 0.000 2.331 111 L HA 0.468 4.824 4.340 0.025 0.000 0.278 111 L C -0.077 176.791 176.870 -0.005 0.000 1.106 111 L CA 0.033 54.748 54.840 -0.209 0.000 0.824 111 L CB 0.330 41.877 42.059 -0.854 0.000 1.142 111 L HN 0.653 nan 8.230 nan 0.000 0.443 112 H N 2.149 121.299 119.070 0.132 0.000 2.834 112 H HA 0.634 5.205 4.556 0.025 0.000 0.369 112 H C -0.822 174.733 175.328 0.378 0.000 1.174 112 H CA -0.884 55.319 56.048 0.257 0.000 1.165 112 H CB 1.836 31.669 29.762 0.118 0.000 1.820 112 H HN 0.340 nan 8.280 nan 0.000 0.558 113 R N 2.094 122.841 120.500 0.412 0.000 2.810 113 R HA 0.310 4.665 4.340 0.025 0.000 0.280 113 R C -1.199 175.203 176.300 0.170 0.000 1.517 113 R CA 0.376 56.601 56.100 0.210 0.000 1.063 113 R CB 0.336 30.683 30.300 0.078 0.000 1.275 113 R HN 1.110 nan 8.270 nan 0.000 0.464 114 T N -0.295 114.339 114.554 0.133 0.000 0.541 114 T HA -0.213 4.152 4.350 0.025 0.000 0.774 114 T C 0.464 175.264 174.700 0.166 0.000 0.992 114 T CA 0.855 63.023 62.100 0.115 0.000 4.077 114 T CB -0.886 68.039 68.868 0.095 0.000 2.303 114 T HN 0.666 nan 8.240 nan 0.000 0.398 115 D N -0.092 120.395 120.400 0.144 0.000 2.363 115 D HA 0.155 4.810 4.640 0.025 0.000 0.226 115 D C 0.783 177.191 176.300 0.180 0.000 1.020 115 D CA 0.964 55.067 54.000 0.170 0.000 0.892 115 D CB -0.086 40.803 40.800 0.148 0.000 0.900 115 D HN 0.902 nan 8.370 nan 0.000 0.531 116 E N -0.229 120.072 120.200 0.168 0.000 3.898 116 E HA 0.147 4.513 4.350 0.025 0.000 0.219 116 E C 0.199 176.903 176.600 0.173 0.000 1.207 116 E CA -0.188 56.308 56.400 0.160 0.000 1.240 116 E CB 0.855 30.647 29.700 0.154 0.000 1.239 116 E HN 0.011 nan 8.360 nan 0.000 0.422 117 T N 0.072 114.729 114.554 0.171 0.000 2.699 117 T HA -0.198 4.167 4.350 0.025 0.000 0.268 117 T C 1.939 176.762 174.700 0.205 0.000 1.036 117 T CA 1.692 63.917 62.100 0.209 0.000 1.147 117 T CB -0.113 68.843 68.868 0.147 0.000 0.862 117 T HN 0.559 nan 8.240 nan 0.000 0.446 118 G N 1.388 110.272 108.800 0.139 0.000 2.446 118 G HA2 -0.281 3.694 3.960 0.025 0.000 0.217 118 G HA3 -0.281 3.694 3.960 0.025 0.000 0.217 118 G C 1.653 176.667 174.900 0.191 0.000 1.168 118 G CA 1.082 46.259 45.100 0.128 0.000 0.771 118 G HN 0.354 nan 8.290 nan 0.000 0.551 119 R N 0.759 121.374 120.500 0.191 0.000 2.083 119 R HA -0.047 4.308 4.340 0.025 0.000 0.237 119 R C 2.477 178.971 176.300 0.324 0.000 1.137 119 R CA 1.641 57.891 56.100 0.250 0.000 0.951 119 R CB -0.505 29.913 30.300 0.198 0.000 0.851 119 R HN 0.293 nan 8.270 nan 0.000 0.434 120 E N 0.326 120.704 120.200 0.296 0.000 2.058 120 E HA -0.186 4.179 4.350 0.025 0.000 0.194 120 E C 2.156 179.028 176.600 0.454 0.000 0.997 120 E CA 1.656 58.269 56.400 0.355 0.000 0.801 120 E CB -0.312 29.603 29.700 0.358 0.000 0.746 120 E HN 0.440 nan 8.360 nan 0.000 0.450 121 I N 0.528 121.308 120.570 0.350 0.000 2.208 121 I HA -0.272 3.913 4.170 0.025 0.000 0.245 121 I C 2.402 178.720 176.117 0.335 0.000 1.097 121 I CA 0.970 62.392 61.300 0.204 0.000 1.363 121 I CB -0.316 37.715 38.000 0.051 0.000 1.051 121 I HN 0.004 nan 8.210 nan 0.000 0.413 122 F N 2.523 122.574 119.950 0.169 0.000 2.046 122 F HA -0.266 4.276 4.527 0.025 0.000 0.297 122 F C 2.393 178.289 175.800 0.160 0.000 1.123 122 F CA 1.847 59.931 58.000 0.139 0.000 1.199 122 F CB -0.642 38.421 39.000 0.106 0.000 0.972 122 F HN 0.070 nan 8.300 nan 0.000 0.474 123 N N 0.158 118.904 118.700 0.075 0.000 2.104 123 N HA -0.239 4.516 4.740 0.025 0.000 0.190 123 N C 1.911 177.438 175.510 0.028 0.000 1.024 123 N CA 1.646 54.662 53.050 -0.056 0.000 0.853 123 N CB -1.083 37.476 38.487 0.121 0.000 1.008 123 N HN 0.416 nan 8.380 nan 0.000 0.424 124 F N 1.798 121.795 119.950 0.077 0.000 2.075 124 F HA -0.063 4.479 4.527 0.025 0.000 0.297 124 F C 2.159 178.004 175.800 0.076 0.000 1.113 124 F CA 1.108 59.181 58.000 0.120 0.000 1.218 124 F CB -0.520 38.650 39.000 0.282 0.000 0.984 124 F HN -0.069 nan 8.300 nan 0.000 0.472 125 L N -0.332 120.919 121.223 0.047 0.000 2.083 125 L HA -0.245 4.111 4.340 0.025 0.000 0.209 125 L C 2.546 179.308 176.870 -0.180 0.000 1.083 125 L CA 1.023 55.839 54.840 -0.040 0.000 0.752 125 L CB -0.682 41.466 42.059 0.149 0.000 0.899 125 L HN 0.247 nan 8.230 nan 0.000 0.433 126 L N -0.186 120.886 121.223 -0.252 0.000 2.093 126 L HA -0.236 4.119 4.340 0.025 0.000 0.208 126 L C 2.692 179.427 176.870 -0.226 0.000 1.085 126 L CA 1.285 55.952 54.840 -0.288 0.000 0.755 126 L CB -0.358 41.420 42.059 -0.469 0.000 0.904 126 L HN 0.287 nan 8.230 nan 0.000 0.435 127 K N 0.496 120.755 120.400 -0.234 0.000 2.097 127 K HA -0.154 4.181 4.320 0.025 0.000 0.205 127 K C 2.093 178.540 176.600 -0.254 0.000 1.050 127 K CA 1.089 57.252 56.287 -0.207 0.000 0.938 127 K CB 0.041 32.436 32.500 -0.174 0.000 0.718 127 K HN 0.248 nan 8.250 nan 0.000 0.442 128 L N 0.394 121.394 121.223 -0.371 0.000 2.056 128 L HA -0.086 4.270 4.340 0.025 0.000 0.207 128 L C 2.670 179.385 176.870 -0.258 0.000 1.078 128 L CA 1.064 55.684 54.840 -0.366 0.000 0.749 128 L CB -0.625 41.141 42.059 -0.488 0.000 0.901 128 L HN 0.264 nan 8.230 nan 0.000 0.433 129 A N 0.454 123.147 122.820 -0.212 0.000 1.940 129 A HA -0.265 4.070 4.320 0.025 0.000 0.219 129 A C 2.437 179.944 177.584 -0.128 0.000 1.176 129 A CA 1.982 53.928 52.037 -0.151 0.000 0.631 129 A CB -0.600 18.334 19.000 -0.111 0.000 0.814 129 A HN 0.382 nan 8.150 nan 0.000 0.446 130 R N -0.004 120.419 120.500 -0.128 0.000 2.075 130 R HA -0.137 4.218 4.340 0.025 0.000 0.232 130 R C 1.843 178.085 176.300 -0.097 0.000 1.126 130 R CA 1.768 57.809 56.100 -0.098 0.000 0.963 130 R CB -0.298 29.947 30.300 -0.092 0.000 0.858 130 R HN 0.647 nan 8.270 nan 0.000 0.435 131 E N -0.066 120.062 120.200 -0.121 0.000 2.274 131 E HA -0.120 4.245 4.350 0.025 0.000 0.194 131 E C 1.274 177.807 176.600 -0.113 0.000 0.996 131 E CA 0.548 56.881 56.400 -0.111 0.000 0.840 131 E CB 0.187 29.811 29.700 -0.126 0.000 0.772 131 E HN 0.345 nan 8.360 nan 0.000 0.491 132 E N -0.280 119.841 120.200 -0.132 0.000 2.489 132 E HA 0.017 4.382 4.350 0.025 0.000 0.193 132 E C 1.127 177.672 176.600 -0.093 0.000 1.057 132 E CA 0.507 56.831 56.400 -0.127 0.000 0.866 132 E CB 0.684 30.287 29.700 -0.161 0.000 0.916 132 E HN 0.363 nan 8.360 nan 0.000 0.500 133 G N 1.954 110.707 108.800 -0.079 0.000 2.153 133 G HA2 -0.296 3.679 3.960 0.025 0.000 0.252 133 G HA3 -0.296 3.679 3.960 0.025 0.000 0.252 133 G C 0.358 175.226 174.900 -0.053 0.000 0.994 133 G CA 0.205 45.270 45.100 -0.059 0.000 0.698 133 G HN 0.285 nan 8.290 nan 0.000 0.521 134 I N 1.672 122.206 120.570 -0.061 0.000 2.452 134 I HA 0.208 4.393 4.170 0.025 0.000 0.287 134 I C -1.695 174.405 176.117 -0.030 0.000 1.079 134 I CA -1.867 59.404 61.300 -0.050 0.000 1.387 134 I CB 0.809 38.775 38.000 -0.056 0.000 1.404 134 I HN -0.106 nan 8.210 nan 0.000 0.522 135 P HA 0.202 nan 4.420 nan 0.000 0.267 135 P C -0.644 176.670 177.300 0.023 0.000 1.205 135 P CA 0.161 63.266 63.100 0.008 0.000 0.765 135 P CB 0.463 32.177 31.700 0.024 0.000 0.828 136 I N 4.765 125.351 120.570 0.025 0.000 2.390 136 I HA 0.349 4.534 4.170 0.025 0.000 0.283 136 I C -0.046 176.102 176.117 0.052 0.000 1.016 136 I CA -0.420 60.903 61.300 0.037 0.000 1.151 136 I CB 0.727 38.738 38.000 0.018 0.000 1.293 136 I HN 0.120 nan 8.210 nan 0.000 0.458 137 I N 5.255 125.869 120.570 0.073 0.000 2.412 137 I HA 0.289 4.474 4.170 0.025 0.000 0.296 137 I C 0.226 176.388 176.117 0.075 0.000 0.987 137 I CA -0.595 60.751 61.300 0.077 0.000 1.180 137 I CB 1.860 39.920 38.000 0.101 0.000 1.340 137 I HN 0.562 nan 8.210 nan 0.000 0.455 138 E N 5.473 125.711 120.200 0.064 0.000 1.963 138 E HA 0.197 4.562 4.350 0.025 0.000 0.274 138 E C -1.301 175.332 176.600 0.055 0.000 1.061 138 E CA -0.167 56.269 56.400 0.058 0.000 0.847 138 E CB 0.570 30.301 29.700 0.051 0.000 1.083 138 E HN 0.490 nan 8.360 nan 0.000 0.402 139 D N 2.650 123.086 120.400 0.060 0.000 2.596 139 D HA 0.315 4.970 4.640 0.025 0.000 0.262 139 D C -1.447 174.885 176.300 0.052 0.000 1.210 139 D CA -0.693 53.342 54.000 0.059 0.000 0.873 139 D CB 1.543 42.390 40.800 0.078 0.000 1.408 139 D HN 0.358 nan 8.370 nan 0.000 0.441 140 R N 1.634 122.164 120.500 0.049 0.000 2.480 140 R HA 0.466 4.821 4.340 0.025 0.000 0.306 140 R C -0.827 175.503 176.300 0.050 0.000 0.958 140 R CA -0.784 55.339 56.100 0.039 0.000 0.861 140 R CB 1.070 31.387 30.300 0.027 0.000 1.171 140 R HN 0.384 nan 8.270 nan 0.000 0.445 141 L N 5.742 126.987 121.223 0.035 0.000 2.453 141 L HA 0.104 4.459 4.340 0.025 0.000 0.272 141 L C 0.360 177.258 176.870 0.046 0.000 1.182 141 L CA 0.612 55.477 54.840 0.042 0.000 0.858 141 L CB 1.606 43.648 42.059 -0.028 0.000 1.120 141 L HN 0.668 nan 8.230 nan 0.000 0.474 142 V N 0.496 120.450 119.914 0.068 0.000 3.426 142 V HA 0.514 4.649 4.120 0.025 0.000 0.279 142 V C 0.145 176.268 176.094 0.050 0.000 1.544 142 V CA 0.125 62.453 62.300 0.048 0.000 1.017 142 V CB -0.208 31.638 31.823 0.038 0.000 0.821 142 V HN 0.857 nan 8.190 nan 0.000 0.432 143 E N -0.196 120.049 120.200 0.074 0.000 2.388 143 E HA 0.600 4.965 4.350 0.025 0.000 0.280 143 E C -2.108 174.555 176.600 0.104 0.000 1.019 143 E CA -0.753 55.687 56.400 0.066 0.000 0.806 143 E CB 2.925 32.651 29.700 0.043 0.000 1.246 143 E HN 0.342 nan 8.360 nan 0.000 0.443 144 I N 2.770 123.386 120.570 0.077 0.000 2.498 144 I HA 0.452 4.637 4.170 0.025 0.000 0.290 144 I C -0.397 175.752 176.117 0.052 0.000 1.032 144 I CA -0.989 60.368 61.300 0.095 0.000 1.073 144 I CB 1.594 39.633 38.000 0.065 0.000 1.251 144 I HN 0.259 nan 8.210 nan 0.000 0.426 145 R N 5.141 125.673 120.500 0.053 0.000 2.368 145 R HA 0.683 5.038 4.340 0.025 0.000 0.302 145 R C -0.866 175.435 176.300 0.001 0.000 1.002 145 R CA -0.650 55.457 56.100 0.012 0.000 0.929 145 R CB 1.805 32.102 30.300 -0.005 0.000 1.073 145 R HN 0.502 nan 8.270 nan 0.000 0.464 146 V N -1.051 118.851 119.914 -0.020 0.000 2.925 146 V HA 0.666 4.801 4.120 0.025 0.000 0.311 146 V C -0.603 175.466 176.094 -0.043 0.000 1.104 146 V CA -1.084 61.194 62.300 -0.038 0.000 0.954 146 V CB 2.770 34.564 31.823 -0.048 0.000 1.022 146 V HN 0.581 nan 8.190 nan 0.000 0.427 147 K N 1.651 122.020 120.400 -0.052 0.000 2.482 147 K HA 0.478 4.813 4.320 0.025 0.000 0.251 147 K C -1.156 175.409 176.600 -0.058 0.000 0.936 147 K CA -0.719 55.540 56.287 -0.048 0.000 0.791 147 K CB 1.669 34.145 32.500 -0.040 0.000 1.213 147 K HN 0.875 nan 8.250 nan 0.000 0.428 148 D N 1.612 121.981 120.400 -0.052 0.000 2.708 148 D HA -0.173 4.482 4.640 0.025 0.000 0.236 148 D C 0.622 176.877 176.300 -0.074 0.000 1.146 148 D CA 1.955 55.922 54.000 -0.056 0.000 0.662 148 D CB -0.966 39.803 40.800 -0.051 0.000 1.059 148 D HN 1.093 nan 8.370 nan 0.000 0.428 149 G N 0.047 108.800 108.800 -0.078 0.000 2.249 149 G HA2 -0.358 3.617 3.960 0.025 0.000 0.273 149 G HA3 -0.358 3.617 3.960 0.025 0.000 0.273 149 G C 0.197 175.006 174.900 -0.151 0.000 1.036 149 G CA 0.986 46.027 45.100 -0.098 0.000 0.824 149 G HN 0.671 nan 8.290 nan 0.000 0.504 150 K N -0.346 119.967 120.400 -0.145 0.000 2.464 150 K HA 0.604 4.939 4.320 0.025 0.000 0.253 150 K C 0.276 176.794 176.600 -0.137 0.000 0.933 150 K CA -0.938 55.233 56.287 -0.195 0.000 0.801 150 K CB 2.049 34.442 32.500 -0.178 0.000 1.271 150 K HN 0.063 nan 8.250 nan 0.000 0.430 151 V N 3.398 123.222 119.914 -0.149 0.000 2.585 151 V HA 0.026 4.161 4.120 0.025 0.000 0.296 151 V C 1.243 177.321 176.094 -0.027 0.000 1.035 151 V CA 0.674 62.936 62.300 -0.063 0.000 1.084 151 V CB 0.906 32.708 31.823 -0.035 0.000 0.953 151 V HN 1.102 nan 8.190 nan 0.000 0.483 152 T N 0.352 114.906 114.554 0.000 0.000 2.964 152 T HA 0.513 4.878 4.350 0.025 0.000 0.250 152 T C 0.591 175.302 174.700 0.017 0.000 0.982 152 T CA 0.463 62.565 62.100 0.003 0.000 0.959 152 T CB 0.825 69.683 68.868 -0.017 0.000 1.141 152 T HN 1.135 nan 8.240 nan 0.000 0.494 153 G N 0.957 109.777 108.800 0.033 0.000 2.488 153 G HA2 0.558 4.533 3.960 0.025 0.000 0.301 153 G HA3 0.558 4.533 3.960 0.025 0.000 0.301 153 G C -2.039 172.915 174.900 0.090 0.000 1.339 153 G CA -0.660 44.434 45.100 -0.010 0.000 0.803 153 G HN 0.701 nan 8.290 nan 0.000 0.482 154 F N -2.022 117.871 119.950 -0.094 0.000 2.713 154 F HA 0.815 5.357 4.527 0.026 0.000 0.311 154 F C -1.408 174.335 175.800 -0.095 0.000 1.141 154 F CA -1.429 56.519 58.000 -0.087 0.000 0.939 154 F CB 1.375 40.320 39.000 -0.092 0.000 1.325 154 F HN 0.508 nan 8.300 nan 0.000 0.453 155 V N 1.289 121.291 119.914 0.148 0.000 2.604 155 V HA 0.771 4.906 4.120 0.025 0.000 0.305 155 V C -0.293 175.895 176.094 0.157 0.000 1.043 155 V CA -0.152 62.171 62.300 0.039 0.000 0.888 155 V CB 1.852 33.681 31.823 0.011 0.000 0.995 155 V HN 1.122 nan 8.190 nan 0.000 0.429 156 T N -0.712 113.898 114.554 0.094 0.000 2.932 156 T HA 0.425 4.790 4.350 0.025 0.000 0.289 156 T C 0.793 175.523 174.700 0.050 0.000 1.039 156 T CA -0.366 61.800 62.100 0.109 0.000 1.024 156 T CB 2.159 71.108 68.868 0.135 0.000 1.090 156 T HN 0.751 nan 8.240 nan 0.000 0.496 157 E N 1.143 121.371 120.200 0.046 0.000 2.038 157 E HA -0.224 4.141 4.350 0.025 0.000 0.195 157 E C 1.629 178.242 176.600 0.022 0.000 1.000 157 E CA 1.486 57.903 56.400 0.029 0.000 0.803 157 E CB -0.032 29.684 29.700 0.027 0.000 0.750 157 E HN 0.720 nan 8.360 nan 0.000 0.448 158 K N -0.396 120.021 120.400 0.027 0.000 2.076 158 K HA -0.014 4.321 4.320 0.025 0.000 0.204 158 K C 2.242 178.850 176.600 0.013 0.000 1.051 158 K CA 1.073 57.373 56.287 0.021 0.000 0.949 158 K CB 0.048 32.565 32.500 0.029 0.000 0.726 158 K HN 0.058 nan 8.250 nan 0.000 0.443 159 R N 0.256 120.763 120.500 0.012 0.000 2.334 159 R HA 0.173 4.528 4.340 0.025 0.000 0.212 159 R C 0.857 177.135 176.300 -0.037 0.000 0.897 159 R CA 0.338 56.433 56.100 -0.009 0.000 1.056 159 R CB 0.785 31.082 30.300 -0.005 0.000 1.046 159 R HN 0.275 nan 8.270 nan 0.000 0.513 160 G N 2.038 110.818 108.800 -0.033 0.000 2.512 160 G HA2 -0.316 3.659 3.960 0.025 0.000 0.254 160 G HA3 -0.316 3.659 3.960 0.025 0.000 0.254 160 G C -0.544 174.288 174.900 -0.113 0.000 1.199 160 G CA -0.207 44.861 45.100 -0.053 0.000 0.941 160 G HN 0.198 nan 8.290 nan 0.000 0.569 161 L N 0.535 121.682 121.223 -0.126 0.000 2.462 161 L HA 0.570 4.925 4.340 0.025 0.000 0.272 161 L C 0.412 177.104 176.870 -0.295 0.000 1.166 161 L CA -0.032 54.692 54.840 -0.193 0.000 0.880 161 L CB 1.006 42.987 42.059 -0.131 0.000 1.142 161 L HN 0.715 nan 8.230 nan 0.000 0.473 162 V N 6.420 126.016 119.914 -0.529 0.000 2.357 162 V HA 0.326 4.461 4.120 0.025 0.000 0.284 162 V C 0.575 176.378 176.094 -0.485 0.000 1.018 162 V CA -0.357 61.547 62.300 -0.661 0.000 0.841 162 V CB 1.154 32.122 31.823 -1.424 0.000 0.991 162 V HN 0.901 nan 8.190 nan 0.000 0.437 163 E N 1.884 121.936 120.200 -0.248 0.000 2.431 163 E HA 0.009 4.375 4.350 0.025 0.000 0.200 163 E C 0.292 176.868 176.600 -0.040 0.000 0.995 163 E CA 0.138 56.460 56.400 -0.129 0.000 0.915 163 E CB 0.422 30.073 29.700 -0.083 0.000 0.930 163 E HN 0.882 nan 8.360 nan 0.000 0.496 164 D N 1.826 122.231 120.400 0.009 0.000 2.741 164 D HA 0.018 4.673 4.640 0.025 0.000 0.233 164 D C -0.459 175.996 176.300 0.259 0.000 1.160 164 D CA -0.191 53.876 54.000 0.113 0.000 1.003 164 D CB 0.587 41.458 40.800 0.119 0.000 1.064 164 D HN -0.116 nan 8.370 nan 0.000 0.503 165 V N 1.231 121.277 119.914 0.221 0.000 2.378 165 V HA 0.180 4.316 4.120 0.025 0.000 0.288 165 V C 0.093 176.315 176.094 0.212 0.000 1.016 165 V CA -0.560 61.945 62.300 0.341 0.000 0.840 165 V CB 1.807 33.872 31.823 0.404 0.000 0.994 165 V HN 0.120 nan 8.190 nan 0.000 0.431 166 D N 4.626 125.143 120.400 0.196 0.000 2.240 166 D HA 0.159 4.815 4.640 0.025 0.000 0.206 166 D C 0.105 176.505 176.300 0.165 0.000 0.963 166 D CA 0.850 54.934 54.000 0.140 0.000 0.863 166 D CB 0.579 41.450 40.800 0.118 0.000 0.973 166 D HN 0.438 nan 8.370 nan 0.000 0.501 167 K N -0.172 120.364 120.400 0.227 0.000 2.523 167 K HA 0.435 4.770 4.320 0.025 0.000 0.257 167 K C -1.741 175.046 176.600 0.311 0.000 0.932 167 K CA -0.606 55.850 56.287 0.283 0.000 0.812 167 K CB 2.779 35.519 32.500 0.401 0.000 1.326 167 K HN -0.164 nan 8.250 nan 0.000 0.433 168 L N 3.075 124.470 121.223 0.287 0.000 2.343 168 L HA 0.552 4.907 4.340 0.025 0.000 0.278 168 L C -1.579 175.454 176.870 0.272 0.000 0.996 168 L CA -0.638 54.336 54.840 0.223 0.000 0.831 168 L CB 1.738 43.864 42.059 0.113 0.000 1.232 168 L HN 0.411 nan 8.230 nan 0.000 0.413 169 V N 6.620 126.676 119.914 0.236 0.000 2.333 169 V HA 0.363 4.498 4.120 0.025 0.000 0.274 169 V C 0.212 176.386 176.094 0.134 0.000 1.028 169 V CA -0.547 61.900 62.300 0.244 0.000 0.851 169 V CB 1.138 33.063 31.823 0.169 0.000 1.000 169 V HN 0.568 nan 8.190 nan 0.000 0.456 170 L N 4.578 125.883 121.223 0.137 0.000 2.281 170 L HA 0.628 4.983 4.340 0.025 0.000 0.285 170 L C 0.653 177.570 176.870 0.078 0.000 1.074 170 L CA -0.088 54.797 54.840 0.075 0.000 0.817 170 L CB 1.198 43.301 42.059 0.072 0.000 1.168 170 L HN 0.750 nan 8.230 nan 0.000 0.434 171 A N 1.211 124.063 122.820 0.054 0.000 3.176 171 A HA 0.251 4.586 4.320 0.025 0.000 0.265 171 A C 0.837 178.442 177.584 0.034 0.000 0.936 171 A CA -0.233 51.834 52.037 0.051 0.000 1.033 171 A CB -0.103 18.935 19.000 0.064 0.000 1.158 171 A HN 0.732 nan 8.150 nan 0.000 0.485 172 T N -2.894 111.674 114.554 0.024 0.000 3.129 172 T HA 0.460 4.825 4.350 0.025 0.000 0.251 172 T C 1.176 175.878 174.700 0.004 0.000 1.117 172 T CA 0.838 62.946 62.100 0.014 0.000 1.034 172 T CB -0.247 68.629 68.868 0.013 0.000 0.968 172 T HN 2.068 nan 8.240 nan 0.000 0.526 173 G N 0.113 108.910 108.800 -0.005 0.000 2.741 173 G HA2 0.225 4.200 3.960 0.025 0.000 0.222 173 G HA3 0.225 4.200 3.960 0.025 0.000 0.222 173 G C 0.104 174.972 174.900 -0.054 0.000 1.364 173 G CA -0.589 44.489 45.100 -0.037 0.000 0.866 173 G HN 0.880 nan 8.290 nan 0.000 0.555 174 G N -1.904 106.820 108.800 -0.127 0.000 2.531 174 G HA2 0.679 4.654 3.960 0.025 0.000 0.281 174 G HA3 0.679 4.654 3.960 0.025 0.000 0.281 174 G C 0.284 175.159 174.900 -0.040 0.000 1.382 174 G CA 0.360 45.350 45.100 -0.183 0.000 1.045 174 G HN 1.810 nan 8.290 nan 0.000 0.533 175 Y N -1.568 118.689 120.300 -0.073 0.000 2.713 175 Y HA 0.381 4.946 4.550 0.025 0.000 0.269 175 Y C 1.752 177.698 175.900 0.076 0.000 1.106 175 Y CA -0.103 57.997 58.100 -0.000 0.000 1.174 175 Y CB -0.176 38.269 38.460 -0.024 0.000 1.186 175 Y HN 0.315 nan 8.280 nan 0.000 0.555 176 S N -1.572 114.097 115.700 -0.052 0.000 2.507 176 S HA -0.216 4.269 4.470 0.025 0.000 0.235 176 S C 1.290 176.026 174.600 0.226 0.000 0.988 176 S CA 0.766 58.989 58.200 0.039 0.000 0.944 176 S CB -0.685 62.464 63.200 -0.086 0.000 0.762 176 S HN 0.655 nan 8.310 nan 0.000 0.526 177 Y N 1.739 122.106 120.300 0.111 0.000 2.546 177 Y HA 0.388 4.953 4.550 0.025 0.000 0.287 177 Y C 1.398 177.369 175.900 0.118 0.000 1.158 177 Y CA 0.011 58.172 58.100 0.103 0.000 1.307 177 Y CB -0.123 38.367 38.460 0.050 0.000 1.036 177 Y HN 0.237 nan 8.280 nan 0.000 0.532 178 L N 0.335 121.668 121.223 0.183 0.000 2.675 178 L HA -0.021 4.334 4.340 0.025 0.000 0.239 178 L C -0.806 175.983 176.870 -0.134 0.000 1.151 178 L CA 0.312 55.167 54.840 0.026 0.000 0.905 178 L CB -0.644 41.432 42.059 0.027 0.000 1.057 178 L HN 0.122 nan 8.230 nan 0.000 0.435 179 Y N -0.852 119.471 120.300 0.038 0.000 2.376 179 Y HA 0.085 4.651 4.550 0.026 0.000 0.340 179 Y C 1.247 177.116 175.900 -0.051 0.000 0.965 179 Y CA -0.764 57.432 58.100 0.159 0.000 1.078 179 Y CB 1.579 40.258 38.460 0.366 0.000 1.193 179 Y HN -0.045 nan 8.280 nan 0.000 0.452 180 E N 2.338 122.572 120.200 0.056 0.000 2.136 180 E HA -0.250 4.115 4.350 0.025 0.000 0.202 180 E C -0.709 175.472 176.600 -0.699 0.000 1.019 180 E CA 1.643 57.830 56.400 -0.356 0.000 0.819 180 E CB 0.017 29.476 29.700 -0.402 0.000 0.739 180 E HN 0.618 nan 8.360 nan 0.000 0.458 181 Y N 0.150 120.152 120.300 -0.496 0.000 2.402 181 Y HA 0.392 4.957 4.550 0.025 0.000 0.332 181 Y C -0.264 175.596 175.900 -0.067 0.000 0.960 181 Y CA -0.526 57.262 58.100 -0.521 0.000 1.228 181 Y CB 1.811 39.679 38.460 -0.987 0.000 1.120 181 Y HN -0.138 nan 8.280 nan 0.000 0.491 182 S N 0.742 116.476 115.700 0.057 0.000 2.570 182 S HA 0.442 4.927 4.470 0.025 0.000 0.286 182 S C 0.477 175.221 174.600 0.239 0.000 1.099 182 S CA -0.297 58.000 58.200 0.162 0.000 0.913 182 S CB 1.119 64.348 63.200 0.048 0.000 1.085 182 S HN 0.605 nan 8.310 nan 0.000 0.480 183 S N 1.490 117.341 115.700 0.251 0.000 2.540 183 S HA 0.243 4.728 4.470 0.025 0.000 0.218 183 S C 0.721 175.432 174.600 0.185 0.000 0.977 183 S CA -0.055 58.285 58.200 0.232 0.000 0.918 183 S CB 0.083 63.441 63.200 0.262 0.000 0.806 183 S HN 0.631 nan 8.310 nan 0.000 0.496 184 T N 1.255 115.927 114.554 0.197 0.000 2.870 184 T HA 0.409 4.774 4.350 0.025 0.000 0.277 184 T C -0.833 173.973 174.700 0.177 0.000 1.000 184 T CA -0.663 61.524 62.100 0.146 0.000 0.982 184 T CB 1.281 70.200 68.868 0.085 0.000 1.249 184 T HN 0.356 nan 8.240 nan 0.000 0.589 185 Q N 0.658 120.476 119.800 0.030 0.000 2.368 185 Q HA 0.236 4.591 4.340 0.025 0.000 0.237 185 Q C 1.469 177.187 176.000 -0.469 0.000 0.987 185 Q CA -0.197 55.538 55.803 -0.114 0.000 0.896 185 Q CB 0.957 29.627 28.738 -0.113 0.000 1.241 185 Q HN 0.836 nan 8.270 nan 0.000 0.485 186 S N -0.440 114.737 115.700 -0.871 0.000 2.493 186 S HA -0.180 4.305 4.470 0.025 0.000 0.243 186 S C 1.673 175.848 174.600 -0.708 0.000 0.991 186 S CA 1.540 58.792 58.200 -1.580 0.000 0.957 186 S CB -0.661 62.012 63.200 -0.878 0.000 0.756 186 S HN 0.825 nan 8.310 nan 0.000 0.521 187 T N -0.258 114.073 114.554 -0.371 0.000 2.915 187 T HA 0.003 4.368 4.350 0.025 0.000 0.269 187 T C 0.729 175.365 174.700 -0.107 0.000 1.071 187 T CA 0.837 62.829 62.100 -0.180 0.000 1.132 187 T CB -0.847 67.952 68.868 -0.115 0.000 0.878 187 T HN 0.378 nan 8.240 nan 0.000 0.479 188 N N 2.352 120.995 118.700 -0.094 0.000 3.127 188 N HA 0.251 5.007 4.740 0.025 0.000 0.317 188 N C 0.799 176.385 175.510 0.126 0.000 1.242 188 N CA -0.097 52.966 53.050 0.020 0.000 1.203 188 N CB -0.476 38.030 38.487 0.032 0.000 1.462 188 N HN 0.742 nan 8.380 nan 0.000 0.546 189 I N -4.084 116.545 120.570 0.098 0.000 4.018 189 I HA 0.389 4.574 4.170 0.025 0.000 0.337 189 I C 1.124 177.304 176.117 0.106 0.000 1.327 189 I CA -0.422 60.958 61.300 0.135 0.000 1.100 189 I CB 0.027 38.083 38.000 0.094 0.000 1.025 189 I HN 0.160 nan 8.210 nan 0.000 0.396 190 G N 2.943 111.809 108.800 0.110 0.000 2.160 190 G HA2 -0.348 3.627 3.960 0.025 0.000 0.251 190 G HA3 -0.348 3.627 3.960 0.025 0.000 0.251 190 G C 0.318 175.230 174.900 0.021 0.000 1.008 190 G CA 0.801 45.959 45.100 0.096 0.000 0.724 190 G HN 0.723 nan 8.290 nan 0.000 0.514 191 D N -0.193 120.216 120.400 0.015 0.000 2.144 191 D HA 0.031 4.687 4.640 0.025 0.000 0.199 191 D C 2.290 178.600 176.300 0.017 0.000 0.984 191 D CA 1.792 55.795 54.000 0.005 0.000 0.834 191 D CB -1.072 39.732 40.800 0.007 0.000 0.955 191 D HN 0.659 nan 8.370 nan 0.000 0.465 192 G N 0.241 109.054 108.800 0.022 0.000 2.442 192 G HA2 -0.301 3.674 3.960 0.025 0.000 0.219 192 G HA3 -0.301 3.674 3.960 0.025 0.000 0.219 192 G C 1.597 176.523 174.900 0.042 0.000 1.141 192 G CA 0.941 46.056 45.100 0.025 0.000 0.763 192 G HN 0.287 nan 8.290 nan 0.000 0.554 193 M N 0.542 120.169 119.600 0.044 0.000 2.132 193 M HA 0.077 4.573 4.480 0.025 0.000 0.263 193 M C 2.827 179.164 176.300 0.062 0.000 1.065 193 M CA 1.554 56.887 55.300 0.055 0.000 1.122 193 M CB -0.050 32.577 32.600 0.046 0.000 1.365 193 M HN 0.299 nan 8.290 nan 0.000 0.411 194 A N 0.511 123.345 122.820 0.025 0.000 1.898 194 A HA -0.128 4.207 4.320 0.025 0.000 0.216 194 A C 1.937 179.598 177.584 0.128 0.000 1.181 194 A CA 1.423 53.492 52.037 0.054 0.000 0.620 194 A CB -0.931 18.063 19.000 -0.010 0.000 0.819 194 A HN 0.575 nan 8.150 nan 0.000 0.442 195 I N -0.177 120.440 120.570 0.079 0.000 2.226 195 I HA -0.302 3.883 4.170 0.025 0.000 0.245 195 I C 2.963 179.130 176.117 0.083 0.000 1.100 195 I CA 1.080 62.422 61.300 0.070 0.000 1.374 195 I CB -0.340 37.687 38.000 0.045 0.000 1.057 195 I HN 0.372 nan 8.210 nan 0.000 0.413 196 A N 0.604 123.483 122.820 0.098 0.000 1.902 196 A HA -0.262 4.073 4.320 0.025 0.000 0.217 196 A C 2.222 179.889 177.584 0.138 0.000 1.181 196 A CA 1.409 53.507 52.037 0.103 0.000 0.623 196 A CB -0.960 18.108 19.000 0.113 0.000 0.818 196 A HN 0.439 nan 8.150 nan 0.000 0.443 197 F N 0.910 120.875 119.950 0.025 0.000 2.126 197 F HA -0.153 4.389 4.527 0.026 0.000 0.299 197 F C 2.047 177.862 175.800 0.024 0.000 1.096 197 F CA 2.068 60.087 58.000 0.032 0.000 1.255 197 F CB -0.176 38.833 39.000 0.015 0.000 0.997 197 F HN 0.143 nan 8.300 nan 0.000 0.479 198 K N -0.269 120.143 120.400 0.020 0.000 2.283 198 K HA 0.011 4.346 4.320 0.025 0.000 0.202 198 K C 1.686 178.228 176.600 -0.097 0.000 1.048 198 K CA 0.838 57.079 56.287 -0.077 0.000 0.948 198 K CB -0.304 32.205 32.500 0.014 0.000 0.742 198 K HN 0.297 nan 8.250 nan 0.000 0.458 199 A N 0.320 123.105 122.820 -0.058 0.000 2.337 199 A HA 0.296 4.631 4.320 0.025 0.000 0.227 199 A C 1.145 178.684 177.584 -0.075 0.000 1.259 199 A CA 0.516 52.524 52.037 -0.049 0.000 0.870 199 A CB -0.129 18.864 19.000 -0.011 0.000 0.927 199 A HN 0.356 nan 8.150 nan 0.000 0.497 200 G N -1.102 107.617 108.800 -0.136 0.000 2.141 200 G HA2 -0.213 3.762 3.960 0.025 0.000 0.231 200 G HA3 -0.213 3.762 3.960 0.025 0.000 0.231 200 G C 0.311 175.174 174.900 -0.061 0.000 0.984 200 G CA 0.268 45.288 45.100 -0.134 0.000 0.660 200 G HN 0.590 nan 8.290 nan 0.000 0.525 201 T N 1.224 115.776 114.554 -0.004 0.000 2.907 201 T HA 0.523 4.888 4.350 0.025 0.000 0.298 201 T C 0.965 175.777 174.700 0.188 0.000 1.017 201 T CA 0.049 62.203 62.100 0.090 0.000 1.118 201 T CB 1.424 70.365 68.868 0.123 0.000 0.948 201 T HN 0.301 nan 8.240 nan 0.000 0.531 202 I N 3.564 124.248 120.570 0.190 0.000 2.395 202 I HA 0.283 4.468 4.170 0.025 0.000 0.289 202 I C 0.058 176.372 176.117 0.329 0.000 1.023 202 I CA -0.358 61.102 61.300 0.268 0.000 1.350 202 I CB 0.513 38.609 38.000 0.161 0.000 1.409 202 I HN 0.319 nan 8.210 nan 0.000 0.507 203 L N 5.969 127.438 121.223 0.410 0.000 2.322 203 L HA 0.924 5.279 4.340 0.025 0.000 0.269 203 L C -0.092 176.967 176.870 0.314 0.000 1.012 203 L CA -0.627 54.405 54.840 0.320 0.000 0.815 203 L CB 1.810 44.003 42.059 0.223 0.000 1.295 203 L HN 0.706 nan 8.230 nan 0.000 0.438 204 A N -0.159 122.767 122.820 0.177 0.000 2.599 204 A HA 0.531 4.866 4.320 0.025 0.000 0.290 204 A C -0.909 176.680 177.584 0.009 0.000 1.101 204 A CA -0.451 51.570 52.037 -0.027 0.000 0.674 204 A CB 1.275 20.108 19.000 -0.278 0.000 1.277 204 A HN 0.783 nan 8.150 nan 0.000 0.419 205 D N 0.068 120.440 120.400 -0.047 0.000 2.792 205 D HA -0.171 4.484 4.640 0.025 0.000 0.231 205 D C 1.112 177.480 176.300 0.114 0.000 1.160 205 D CA 1.226 55.300 54.000 0.123 0.000 0.697 205 D CB -0.678 40.261 40.800 0.230 0.000 1.070 205 D HN 0.506 nan 8.370 nan 0.000 0.426 206 M N -0.232 119.410 119.600 0.069 0.000 2.279 206 M HA -0.153 4.342 4.480 0.025 0.000 0.264 206 M C 2.117 178.445 176.300 0.047 0.000 1.062 206 M CA 1.376 56.745 55.300 0.115 0.000 1.099 206 M CB -0.576 32.068 32.600 0.073 0.000 1.394 206 M HN 0.260 nan 8.290 nan 0.000 0.426 207 E N -0.140 119.942 120.200 -0.198 0.000 2.482 207 E HA -0.099 4.266 4.350 0.025 0.000 0.196 207 E C -0.083 176.277 176.600 -0.400 0.000 1.047 207 E CA 0.385 56.557 56.400 -0.381 0.000 0.869 207 E CB -0.462 28.772 29.700 -0.777 0.000 0.836 207 E HN 0.349 nan 8.360 nan 0.000 0.520 208 F N 1.907 121.854 119.950 -0.005 0.000 2.509 208 F HA 0.239 4.783 4.527 0.028 0.000 0.344 208 F C -0.028 175.763 175.800 -0.014 0.000 1.197 208 F CA -0.774 57.238 58.000 0.021 0.000 1.294 208 F CB 0.632 39.642 39.000 0.015 0.000 1.643 208 F HN -0.287 nan 8.300 nan 0.000 0.596 209 V N 1.946 121.905 119.914 0.075 0.000 2.432 209 V HA 0.180 4.315 4.120 0.025 0.000 0.275 209 V C 0.167 176.113 176.094 -0.246 0.000 1.043 209 V CA -0.659 61.531 62.300 -0.183 0.000 0.925 209 V CB 1.361 32.992 31.823 -0.320 0.000 0.985 209 V HN 0.499 nan 8.190 nan 0.000 0.466 210 Q N 3.755 123.420 119.800 -0.224 0.000 2.256 210 Q HA 0.505 4.861 4.340 0.025 0.000 0.254 210 Q C -1.500 174.335 176.000 -0.276 0.000 0.916 210 Q CA -0.369 55.380 55.803 -0.090 0.000 0.932 210 Q CB 0.937 29.735 28.738 0.101 0.000 1.207 210 Q HN 0.617 nan 8.270 nan 0.000 0.426 211 F N 1.545 121.514 119.950 0.033 0.000 2.507 211 F HA 0.327 4.868 4.527 0.022 0.000 0.327 211 F C 0.248 176.067 175.800 0.032 0.000 1.068 211 F CA -0.815 57.211 58.000 0.045 0.000 0.965 211 F CB 1.397 40.378 39.000 -0.032 0.000 1.192 211 F HN 0.533 nan 8.300 nan 0.000 0.476 212 H N 4.612 123.760 119.070 0.130 0.000 2.467 212 H HA 0.259 4.831 4.556 0.027 0.000 0.326 212 H C -1.942 173.389 175.328 0.004 0.000 1.094 212 H CA -2.315 53.688 56.048 -0.075 0.000 1.253 212 H CB 2.392 31.951 29.762 -0.338 0.000 1.439 212 H HN 0.289 nan 8.280 nan 0.000 0.479 213 P HA -0.075 nan 4.420 nan 0.000 0.217 213 P C 0.135 177.474 177.300 0.065 0.000 1.151 213 P CA 0.860 63.957 63.100 -0.006 0.000 0.828 213 P CB 0.417 32.047 31.700 -0.118 0.000 0.788 214 T N -1.916 112.738 114.554 0.168 0.000 3.009 214 T HA 0.569 4.934 4.350 0.025 0.000 0.346 214 T C -0.601 174.016 174.700 -0.138 0.000 1.092 214 T CA -0.695 61.413 62.100 0.013 0.000 1.080 214 T CB 0.730 69.592 68.868 -0.009 0.000 1.037 214 T HN -0.237 nan 8.240 nan 0.000 0.487 215 V N 2.203 121.882 119.914 -0.391 0.000 2.914 215 V HA 0.877 5.012 4.120 0.025 0.000 0.314 215 V C 0.267 175.751 176.094 -1.016 0.000 1.084 215 V CA -0.735 61.167 62.300 -0.663 0.000 0.963 215 V CB 2.109 33.552 31.823 -0.633 0.000 1.025 215 V HN 0.977 nan 8.190 nan 0.000 0.432 216 T N 0.503 114.675 114.554 -0.636 0.000 2.887 216 T HA 0.590 4.955 4.350 0.025 0.000 0.292 216 T C -0.496 174.207 174.700 0.005 0.000 1.087 216 T CA -0.095 61.790 62.100 -0.358 0.000 1.009 216 T CB 1.905 70.734 68.868 -0.065 0.000 1.203 216 T HN 0.811 nan 8.240 nan 0.000 0.518 217 S N 2.504 118.362 115.700 0.263 0.000 2.598 217 S HA 0.356 4.841 4.470 0.025 0.000 0.209 217 S C -0.438 174.255 174.600 0.155 0.000 1.029 217 S CA -0.566 57.813 58.200 0.299 0.000 1.172 217 S CB -0.674 62.784 63.200 0.430 0.000 1.427 217 S HN 0.625 nan 8.310 nan 0.000 0.418 218 L N 2.401 123.648 121.223 0.040 0.000 2.540 218 L HA 0.167 4.522 4.340 0.025 0.000 0.276 218 L C 0.537 177.239 176.870 -0.280 0.000 1.212 218 L CA 0.275 54.992 54.840 -0.206 0.000 0.893 218 L CB 0.056 41.801 42.059 -0.524 0.000 1.138 218 L HN 0.512 nan 8.230 nan 0.000 0.491 219 D N 2.931 123.301 120.400 -0.050 0.000 2.955 219 D HA -0.235 4.420 4.640 0.025 0.000 0.226 219 D C 1.144 177.499 176.300 0.091 0.000 1.178 219 D CA 1.196 55.236 54.000 0.066 0.000 0.808 219 D CB -0.822 40.103 40.800 0.208 0.000 1.099 219 D HN 1.146 nan 8.370 nan 0.000 0.421 220 G N 0.521 109.369 108.800 0.079 0.000 2.176 220 G HA2 -0.349 3.626 3.960 0.025 0.000 0.253 220 G HA3 -0.349 3.626 3.960 0.025 0.000 0.253 220 G C 0.041 175.034 174.900 0.155 0.000 0.979 220 G CA 0.449 45.615 45.100 0.110 0.000 0.641 220 G HN 0.538 nan 8.290 nan 0.000 0.530 221 E N 1.048 121.358 120.200 0.183 0.000 2.105 221 E HA 0.460 4.826 4.350 0.025 0.000 0.285 221 E C 0.565 177.348 176.600 0.306 0.000 1.055 221 E CA -0.554 56.016 56.400 0.283 0.000 0.843 221 E CB 0.793 30.767 29.700 0.458 0.000 1.067 221 E HN 0.130 nan 8.360 nan 0.000 0.398 222 V N 5.458 125.517 119.914 0.243 0.000 2.740 222 V HA 0.114 4.250 4.120 0.025 0.000 0.303 222 V C -0.209 175.971 176.094 0.143 0.000 1.054 222 V CA 0.469 62.887 62.300 0.197 0.000 1.106 222 V CB 0.220 32.149 31.823 0.176 0.000 0.957 222 V HN 0.554 nan 8.190 nan 0.000 0.486 223 F N 4.903 124.713 119.950 -0.234 0.000 2.630 223 F HA 0.501 5.044 4.527 0.027 0.000 0.325 223 F C -0.689 174.856 175.800 -0.425 0.000 1.184 223 F CA -0.797 56.931 58.000 -0.454 0.000 1.011 223 F CB 1.172 39.474 39.000 -1.164 0.000 1.268 223 F HN 0.288 nan 8.300 nan 0.000 0.480 224 L N 6.620 127.281 121.223 -0.936 0.000 2.360 224 L HA 0.324 4.679 4.340 0.025 0.000 0.276 224 L C -0.504 175.844 176.870 -0.870 0.000 1.121 224 L CA -0.460 53.846 54.840 -0.890 0.000 0.845 224 L CB 0.725 42.272 42.059 -0.853 0.000 1.143 224 L HN 0.523 nan 8.230 nan 0.000 0.452 225 L N 3.285 124.229 121.223 -0.465 0.000 2.255 225 L HA 0.232 4.587 4.340 0.025 0.000 0.289 225 L C 0.820 177.636 176.870 -0.089 0.000 1.046 225 L CA -0.195 54.522 54.840 -0.206 0.000 0.816 225 L CB 1.316 43.323 42.059 -0.086 0.000 1.197 225 L HN 0.600 nan 8.230 nan 0.000 0.427 226 T N 1.102 115.609 114.554 -0.078 0.000 2.937 226 T HA -0.050 4.315 4.350 0.025 0.000 0.316 226 T C 1.342 176.048 174.700 0.010 0.000 1.079 226 T CA -0.031 62.072 62.100 0.006 0.000 1.131 226 T CB 0.588 69.490 68.868 0.058 0.000 1.000 226 T HN 0.844 nan 8.240 nan 0.000 0.549 227 E N 2.023 122.231 120.200 0.012 0.000 2.418 227 E HA -0.078 4.288 4.350 0.025 0.000 0.197 227 E C 1.528 178.148 176.600 0.034 0.000 1.026 227 E CA 0.953 57.349 56.400 -0.006 0.000 0.862 227 E CB -0.349 29.331 29.700 -0.035 0.000 0.799 227 E HN 0.665 nan 8.360 nan 0.000 0.518 228 T N 1.560 116.169 114.554 0.092 0.000 2.962 228 T HA -0.037 4.328 4.350 0.025 0.000 0.270 228 T C 1.747 176.594 174.700 0.244 0.000 1.088 228 T CA 0.673 62.886 62.100 0.189 0.000 1.127 228 T CB -0.119 68.921 68.868 0.288 0.000 0.883 228 T HN 0.163 nan 8.240 nan 0.000 0.493 229 L N 0.482 121.721 121.223 0.028 0.000 2.017 229 L HA -0.094 4.261 4.340 0.025 0.000 0.208 229 L C 2.869 179.724 176.870 -0.025 0.000 1.073 229 L CA 1.451 56.165 54.840 -0.209 0.000 0.745 229 L CB -0.414 41.451 42.059 -0.324 0.000 0.894 229 L HN 0.165 nan 8.230 nan 0.000 0.432 230 R N -0.325 120.169 120.500 -0.011 0.000 2.115 230 R HA -0.075 4.280 4.340 0.025 0.000 0.230 230 R C 2.293 178.617 176.300 0.040 0.000 1.111 230 R CA 1.090 57.189 56.100 -0.001 0.000 0.976 230 R CB -0.625 29.662 30.300 -0.023 0.000 0.870 230 R HN 0.415 nan 8.270 nan 0.000 0.445 231 G N 0.966 109.807 108.800 0.069 0.000 2.471 231 G HA2 -0.188 3.788 3.960 0.025 0.000 0.219 231 G HA3 -0.188 3.788 3.960 0.025 0.000 0.219 231 G C 1.144 176.108 174.900 0.107 0.000 1.125 231 G CA 0.316 45.464 45.100 0.080 0.000 0.775 231 G HN 0.175 nan 8.290 nan 0.000 0.548 232 E N -0.059 120.239 120.200 0.164 0.000 2.463 232 E HA 0.222 4.587 4.350 0.025 0.000 0.193 232 E C 1.558 178.247 176.600 0.148 0.000 1.041 232 E CA 0.497 57.013 56.400 0.194 0.000 0.879 232 E CB 0.460 30.386 29.700 0.376 0.000 0.997 232 E HN 0.427 nan 8.360 nan 0.000 0.478 233 G N 0.753 109.611 108.800 0.097 0.000 2.183 233 G HA2 -0.176 3.799 3.960 0.025 0.000 0.168 233 G HA3 -0.176 3.799 3.960 0.025 0.000 0.168 233 G C 0.451 175.374 174.900 0.038 0.000 1.008 233 G CA -0.144 44.998 45.100 0.070 0.000 0.677 233 G HN 0.406 nan 8.290 nan 0.000 0.498 234 A N 0.041 122.871 122.820 0.017 0.000 2.477 234 A HA 0.668 5.003 4.320 0.025 0.000 0.246 234 A C 0.447 178.009 177.584 -0.037 0.000 1.078 234 A CA 0.583 52.606 52.037 -0.022 0.000 0.770 234 A CB 0.367 19.334 19.000 -0.054 0.000 1.011 234 A HN 0.496 nan 8.150 nan 0.000 0.494 235 Q N 0.389 120.162 119.800 -0.045 0.000 2.301 235 Q HA 0.693 5.048 4.340 0.025 0.000 0.267 235 Q C -1.148 174.803 176.000 -0.082 0.000 1.035 235 Q CA -0.426 55.331 55.803 -0.077 0.000 0.856 235 Q CB 2.247 30.950 28.738 -0.060 0.000 1.337 235 Q HN 0.724 nan 8.270 nan 0.000 0.450 236 I N 3.763 124.241 120.570 -0.154 0.000 2.447 236 I HA 0.456 4.641 4.170 0.025 0.000 0.287 236 I C -0.691 175.335 176.117 -0.151 0.000 1.023 236 I CA -0.865 60.358 61.300 -0.129 0.000 1.083 236 I CB 1.416 39.290 38.000 -0.211 0.000 1.245 236 I HN 0.508 nan 8.210 nan 0.000 0.434 237 I N 2.875 123.505 120.570 0.100 0.000 3.095 237 I HA 0.568 4.753 4.170 0.025 0.000 0.310 237 I C -1.081 175.309 176.117 0.456 0.000 1.196 237 I CA -0.828 60.612 61.300 0.233 0.000 0.985 237 I CB 1.488 39.562 38.000 0.123 0.000 1.250 237 I HN 0.557 nan 8.210 nan 0.000 0.446 238 N N 2.049 120.983 118.700 0.390 0.000 2.431 238 N HA 0.116 4.871 4.740 0.025 0.000 0.289 238 N C 0.785 176.487 175.510 0.319 0.000 1.277 238 N CA -0.036 53.144 53.050 0.217 0.000 0.972 238 N CB 0.034 38.437 38.487 -0.140 0.000 1.143 238 N HN 0.627 nan 8.380 nan 0.000 0.578 239 E N -0.747 119.642 120.200 0.316 0.000 2.401 239 E HA -0.183 4.182 4.350 0.025 0.000 0.199 239 E C -0.052 176.623 176.600 0.125 0.000 1.023 239 E CA 1.009 57.600 56.400 0.318 0.000 0.859 239 E CB -0.633 29.252 29.700 0.307 0.000 0.780 239 E HN 0.550 nan 8.360 nan 0.000 0.523 240 N N 0.684 119.438 118.700 0.089 0.000 2.373 240 N HA 0.045 4.800 4.740 0.025 0.000 0.181 240 N C 1.037 176.568 175.510 0.035 0.000 1.082 240 N CA 1.026 54.103 53.050 0.046 0.000 0.885 240 N CB 0.809 39.311 38.487 0.026 0.000 0.977 240 N HN 0.465 nan 8.380 nan 0.000 0.462 241 G N 1.722 110.555 108.800 0.054 0.000 2.157 241 G HA2 -0.269 3.706 3.960 0.025 0.000 0.248 241 G HA3 -0.269 3.706 3.960 0.025 0.000 0.248 241 G C -0.142 174.785 174.900 0.046 0.000 0.979 241 G CA 0.362 45.485 45.100 0.038 0.000 0.650 241 G HN 0.584 nan 8.290 nan 0.000 0.529 242 E N 0.096 120.337 120.200 0.068 0.000 2.266 242 E HA 0.606 4.971 4.350 0.025 0.000 0.277 242 E C 0.169 176.812 176.600 0.072 0.000 1.018 242 E CA -1.136 55.304 56.400 0.066 0.000 0.840 242 E CB 1.024 30.765 29.700 0.068 0.000 1.082 242 E HN 0.229 nan 8.360 nan 0.000 0.395 243 R N 3.116 123.589 120.500 -0.045 0.000 3.268 243 R HA 0.081 4.436 4.340 0.025 0.000 0.217 243 R C 0.355 176.463 176.300 -0.319 0.000 1.568 243 R CA -0.186 55.735 56.100 -0.298 0.000 1.322 243 R CB -0.483 29.529 30.300 -0.479 0.000 1.280 243 R HN 0.663 nan 8.270 nan 0.000 0.667 244 F N -0.407 119.466 119.950 -0.130 0.000 2.154 244 F HA -0.238 4.304 4.527 0.025 0.000 0.301 244 F C 1.503 177.274 175.800 -0.048 0.000 1.087 244 F CA 0.853 58.810 58.000 -0.072 0.000 1.274 244 F CB -0.678 38.271 39.000 -0.085 0.000 1.009 244 F HN 0.179 nan 8.300 nan 0.000 0.485 245 L N -0.175 120.585 121.223 -0.773 0.000 2.054 245 L HA -0.303 4.052 4.340 0.025 0.000 0.220 245 L C 2.652 179.509 176.870 -0.020 0.000 1.081 245 L CA 1.968 56.563 54.840 -0.408 0.000 0.780 245 L CB -1.094 40.611 42.059 -0.590 0.000 0.893 245 L HN 0.213 nan 8.230 nan 0.000 0.438 246 F N -0.031 119.883 119.950 -0.060 0.000 2.287 246 F HA -0.257 4.285 4.527 0.024 0.000 0.301 246 F C 2.092 177.914 175.800 0.037 0.000 1.069 246 F CA 1.054 59.048 58.000 -0.010 0.000 1.372 246 F CB -0.489 38.500 39.000 -0.018 0.000 1.056 246 F HN 0.326 nan 8.300 nan 0.000 0.523 247 N N -1.575 117.280 118.700 0.260 0.000 2.494 247 N HA -0.141 4.614 4.740 0.025 0.000 0.182 247 N C 1.165 176.809 175.510 0.223 0.000 1.076 247 N CA 0.277 53.453 53.050 0.210 0.000 0.908 247 N CB 0.011 38.620 38.487 0.204 0.000 0.967 247 N HN 0.285 nan 8.380 nan 0.000 0.449 248 Y N 0.286 120.645 120.300 0.098 0.000 2.581 248 Y HA 0.233 4.798 4.550 0.025 0.000 0.271 248 Y C -0.277 175.651 175.900 0.046 0.000 1.100 248 Y CA 0.253 58.392 58.100 0.066 0.000 1.281 248 Y CB 0.986 39.483 38.460 0.063 0.000 1.237 248 Y HN -0.185 nan 8.280 nan 0.000 0.514 249 D N -0.497 119.976 120.400 0.121 0.000 2.947 249 D HA 0.180 4.835 4.640 0.025 0.000 0.224 249 D C -0.316 176.055 176.300 0.118 0.000 1.230 249 D CA -0.284 53.742 54.000 0.044 0.000 0.871 249 D CB 2.112 42.956 40.800 0.074 0.000 1.671 249 D HN 0.079 nan 8.370 nan 0.000 0.507 250 K N 1.226 121.658 120.400 0.053 0.000 2.365 250 K HA 0.041 4.377 4.320 0.025 0.000 0.199 250 K C 1.541 178.182 176.600 0.068 0.000 1.045 250 K CA 0.501 56.808 56.287 0.033 0.000 0.962 250 K CB 0.463 32.943 32.500 -0.034 0.000 0.759 250 K HN 0.180 nan 8.250 nan 0.000 0.469 251 R N 0.506 121.061 120.500 0.091 0.000 2.307 251 R HA 0.009 4.365 4.340 0.025 0.000 0.199 251 R C 1.238 177.645 176.300 0.178 0.000 1.000 251 R CA 0.368 56.526 56.100 0.096 0.000 1.023 251 R CB -0.139 30.193 30.300 0.052 0.000 0.908 251 R HN 0.297 nan 8.270 nan 0.000 0.473 252 G N 1.851 110.824 108.800 0.289 0.000 2.634 252 G HA2 -0.426 3.549 3.960 0.025 0.000 0.309 252 G HA3 -0.426 3.549 3.960 0.025 0.000 0.309 252 G C 0.539 175.427 174.900 -0.021 0.000 1.265 252 G CA 0.719 45.944 45.100 0.208 0.000 0.998 252 G HN 0.346 nan 8.290 nan 0.000 0.551 253 E N 0.198 120.344 120.200 -0.090 0.000 2.401 253 E HA 0.062 4.427 4.350 0.025 0.000 0.199 253 E C 2.105 178.686 176.600 -0.032 0.000 1.023 253 E CA 0.808 57.149 56.400 -0.098 0.000 0.859 253 E CB -0.124 29.517 29.700 -0.098 0.000 0.780 253 E HN 0.340 nan 8.360 nan 0.000 0.523 254 L N -0.344 120.888 121.223 0.014 0.000 2.728 254 L HA 0.290 4.645 4.340 0.025 0.000 0.235 254 L C 0.479 177.358 176.870 0.015 0.000 1.197 254 L CA -0.215 54.636 54.840 0.019 0.000 0.992 254 L CB -0.401 41.680 42.059 0.037 0.000 1.263 254 L HN -0.071 nan 8.230 nan 0.000 0.484 255 A N -0.632 122.193 122.820 0.009 0.000 2.271 255 A HA 0.690 5.025 4.320 0.025 0.000 0.288 255 A C -2.191 175.387 177.584 -0.010 0.000 1.094 255 A CA -1.190 50.853 52.037 0.010 0.000 0.828 255 A CB -0.111 18.906 19.000 0.028 0.000 1.091 255 A HN 0.041 nan 8.150 nan 0.000 0.493 256 P HA 0.080 nan 4.420 nan 0.000 0.269 256 P C 0.688 177.960 177.300 -0.047 0.000 1.217 256 P CA -0.150 62.935 63.100 -0.026 0.000 0.783 256 P CB 0.406 32.095 31.700 -0.018 0.000 0.898 257 R N 1.132 121.590 120.500 -0.070 0.000 2.115 257 R HA -0.191 4.164 4.340 0.025 0.000 0.239 257 R C 1.392 177.640 176.300 -0.087 0.000 1.133 257 R CA 1.975 58.010 56.100 -0.109 0.000 0.935 257 R CB -0.859 29.350 30.300 -0.151 0.000 0.853 257 R HN 0.555 nan 8.270 nan 0.000 0.433 258 D N 0.448 120.810 120.400 -0.064 0.000 2.182 258 D HA -0.135 4.520 4.640 0.025 0.000 0.201 258 D C 1.905 178.145 176.300 -0.100 0.000 0.986 258 D CA 0.898 54.855 54.000 -0.071 0.000 0.847 258 D CB -0.105 40.665 40.800 -0.051 0.000 0.942 258 D HN 0.164 nan 8.370 nan 0.000 0.467 259 I N 0.393 120.928 120.570 -0.058 0.000 2.202 259 I HA -0.198 3.987 4.170 0.025 0.000 0.242 259 I C 2.382 178.482 176.117 -0.029 0.000 1.091 259 I CA 0.718 62.022 61.300 0.006 0.000 1.368 259 I CB -1.024 37.011 38.000 0.058 0.000 1.058 259 I HN 0.016 nan 8.210 nan 0.000 0.410 260 L N 0.515 121.710 121.223 -0.045 0.000 2.046 260 L HA -0.145 4.211 4.340 0.025 0.000 0.208 260 L C 2.686 179.514 176.870 -0.071 0.000 1.077 260 L CA 1.420 56.226 54.840 -0.058 0.000 0.747 260 L CB -0.951 41.069 42.059 -0.063 0.000 0.896 260 L HN 0.104 nan 8.230 nan 0.000 0.432 261 S N -0.568 115.080 115.700 -0.087 0.000 2.365 261 S HA -0.227 4.258 4.470 0.025 0.000 0.225 261 S C 2.086 176.592 174.600 -0.157 0.000 1.039 261 S CA 1.419 59.560 58.200 -0.098 0.000 1.033 261 S CB -0.299 62.830 63.200 -0.119 0.000 0.887 261 S HN 0.389 nan 8.310 nan 0.000 0.447 262 R N 0.999 121.357 120.500 -0.236 0.000 2.075 262 R HA 0.044 4.399 4.340 0.025 0.000 0.232 262 R C 2.629 178.690 176.300 -0.398 0.000 1.126 262 R CA 1.189 57.102 56.100 -0.312 0.000 0.963 262 R CB -0.509 29.549 30.300 -0.402 0.000 0.858 262 R HN 0.410 nan 8.270 nan 0.000 0.435 263 A N 1.563 124.085 122.820 -0.497 0.000 1.873 263 A HA -0.123 4.212 4.320 0.025 0.000 0.215 263 A C 2.191 179.761 177.584 -0.023 0.000 1.186 263 A CA 1.166 52.973 52.037 -0.384 0.000 0.616 263 A CB -0.492 18.415 19.000 -0.155 0.000 0.823 263 A HN 0.154 nan 8.150 nan 0.000 0.442 264 I N -1.903 118.718 120.570 0.084 0.000 2.226 264 I HA -0.262 3.923 4.170 0.025 0.000 0.245 264 I C 2.480 178.613 176.117 0.025 0.000 1.100 264 I CA 1.722 63.099 61.300 0.128 0.000 1.374 264 I CB -0.470 37.614 38.000 0.139 0.000 1.057 264 I HN 0.527 nan 8.210 nan 0.000 0.413 265 Y N 1.970 122.187 120.300 -0.139 0.000 2.097 265 Y HA -0.278 4.287 4.550 0.026 0.000 0.282 265 Y C 2.374 178.176 175.900 -0.163 0.000 1.152 265 Y CA 1.641 59.634 58.100 -0.179 0.000 1.136 265 Y CB -0.480 37.777 38.460 -0.338 0.000 0.975 265 Y HN 0.020 nan 8.280 nan 0.000 0.498 266 I N -0.056 120.381 120.570 -0.222 0.000 2.163 266 I HA -0.305 3.880 4.170 0.025 0.000 0.243 266 I C 2.413 178.391 176.117 -0.231 0.000 1.085 266 I CA 1.872 63.007 61.300 -0.276 0.000 1.347 266 I CB -0.534 37.364 38.000 -0.169 0.000 1.044 266 I HN 0.216 nan 8.210 nan 0.000 0.408 267 E N 1.192 121.258 120.200 -0.223 0.000 2.070 267 E HA -0.248 4.117 4.350 0.025 0.000 0.197 267 E C 2.224 178.728 176.600 -0.160 0.000 1.004 267 E CA 1.821 58.064 56.400 -0.261 0.000 0.805 267 E CB -0.190 29.086 29.700 -0.707 0.000 0.744 267 E HN 0.336 nan 8.360 nan 0.000 0.451 268 M N -0.654 118.844 119.600 -0.170 0.000 2.159 268 M HA -0.143 4.352 4.480 0.025 0.000 0.263 268 M C 1.736 177.958 176.300 -0.130 0.000 1.063 268 M CA 0.777 56.008 55.300 -0.115 0.000 1.110 268 M CB -0.123 32.438 32.600 -0.064 0.000 1.374 268 M HN 0.139 nan 8.290 nan 0.000 0.411 269 L N 0.333 121.425 121.223 -0.219 0.000 2.353 269 L HA -0.172 4.184 4.340 0.025 0.000 0.220 269 L C 2.017 178.780 176.870 -0.180 0.000 1.133 269 L CA 1.728 56.428 54.840 -0.233 0.000 0.798 269 L CB -0.668 41.147 42.059 -0.407 0.000 0.922 269 L HN 0.213 nan 8.230 nan 0.000 0.445 270 K N -1.232 119.055 120.400 -0.189 0.000 2.305 270 K HA 0.226 4.561 4.320 0.025 0.000 0.199 270 K C 1.332 177.745 176.600 -0.313 0.000 1.047 270 K CA 0.719 56.868 56.287 -0.230 0.000 0.976 270 K CB 0.094 32.458 32.500 -0.227 0.000 0.765 270 K HN 0.355 nan 8.250 nan 0.000 0.474 271 G N 1.105 109.748 108.800 -0.262 0.000 2.192 271 G HA2 -0.160 3.815 3.960 0.025 0.000 0.193 271 G HA3 -0.160 3.815 3.960 0.025 0.000 0.193 271 G C -0.273 174.498 174.900 -0.216 0.000 0.999 271 G CA -0.540 44.430 45.100 -0.216 0.000 0.659 271 G HN 0.238 nan 8.290 nan 0.000 0.503 272 H N 0.847 119.852 119.070 -0.109 0.000 2.615 272 H HA 0.451 5.022 4.556 0.025 0.000 0.363 272 H C 0.239 175.491 175.328 -0.127 0.000 1.148 272 H CA 0.212 56.190 56.048 -0.117 0.000 1.401 272 H CB 0.973 30.614 29.762 -0.201 0.000 1.461 272 H HN 0.026 nan 8.280 nan 0.000 0.588 273 K N 2.082 122.512 120.400 0.049 0.000 2.182 273 K HA 0.355 4.690 4.320 0.025 0.000 0.262 273 K C -0.474 175.990 176.600 -0.227 0.000 0.957 273 K CA -0.785 55.430 56.287 -0.119 0.000 0.842 273 K CB 2.329 34.773 32.500 -0.094 0.000 1.099 273 K HN 0.232 nan 8.250 nan 0.000 0.438 274 V N 4.047 123.747 119.914 -0.356 0.000 2.630 274 V HA 0.570 4.705 4.120 0.025 0.000 0.305 274 V C -0.497 175.301 176.094 -0.494 0.000 1.046 274 V CA -0.642 61.533 62.300 -0.208 0.000 0.934 274 V CB 0.876 32.700 31.823 0.003 0.000 1.003 274 V HN 0.554 nan 8.190 nan 0.000 0.451 275 F N 2.680 122.696 119.950 0.111 0.000 2.629 275 F HA 0.666 5.208 4.527 0.025 0.000 0.316 275 F C -0.319 175.503 175.800 0.036 0.000 1.081 275 F CA -0.712 57.329 58.000 0.069 0.000 0.954 275 F CB 1.965 41.004 39.000 0.066 0.000 1.337 275 F HN 0.290 nan 8.300 nan 0.000 0.474 276 I N 1.191 121.888 120.570 0.212 0.000 2.509 276 I HA 0.408 4.593 4.170 0.025 0.000 0.293 276 I C -1.698 174.460 176.117 0.069 0.000 1.020 276 I CA -0.434 60.916 61.300 0.083 0.000 1.088 276 I CB 1.663 39.674 38.000 0.017 0.000 1.267 276 I HN 0.635 nan 8.210 nan 0.000 0.430 277 D N 6.639 127.053 120.400 0.022 0.000 2.381 277 D HA 0.365 5.021 4.640 0.025 0.000 0.235 277 D C -0.035 176.246 176.300 -0.031 0.000 1.068 277 D CA -0.328 53.672 54.000 0.000 0.000 0.832 277 D CB 1.323 42.120 40.800 -0.005 0.000 1.101 277 D HN 0.495 nan 8.370 nan 0.000 0.515 278 L N 2.733 123.918 121.223 -0.062 0.000 2.693 278 L HA 0.118 4.473 4.340 0.025 0.000 0.235 278 L C 2.014 178.835 176.870 -0.081 0.000 1.127 278 L CA -0.042 54.725 54.840 -0.121 0.000 0.914 278 L CB -0.024 41.850 42.059 -0.307 0.000 1.193 278 L HN 0.395 nan 8.230 nan 0.000 0.502 279 S N -0.124 115.557 115.700 -0.031 0.000 2.442 279 S HA -0.160 4.325 4.470 0.025 0.000 0.236 279 S C 1.628 176.253 174.600 0.042 0.000 1.007 279 S CA 0.897 59.100 58.200 0.006 0.000 0.965 279 S CB -0.241 62.947 63.200 -0.020 0.000 0.773 279 S HN 0.454 nan 8.310 nan 0.000 0.504 280 K N 0.430 120.853 120.400 0.037 0.000 2.374 280 K HA 0.360 4.696 4.320 0.025 0.000 0.196 280 K C -0.168 176.485 176.600 0.089 0.000 1.023 280 K CA -0.108 56.213 56.287 0.056 0.000 1.103 280 K CB 0.103 32.627 32.500 0.040 0.000 0.848 280 K HN 0.450 nan 8.250 nan 0.000 0.528 281 I N 2.868 123.508 120.570 0.117 0.000 2.471 281 I HA -0.009 4.176 4.170 0.025 0.000 0.286 281 I C 0.443 176.688 176.117 0.212 0.000 1.079 281 I CA -0.163 61.251 61.300 0.191 0.000 1.398 281 I CB 0.622 38.801 38.000 0.298 0.000 1.403 281 I HN 0.032 nan 8.210 nan 0.000 0.530 282 E N 5.871 126.175 120.200 0.174 0.000 2.331 282 E HA 0.059 4.424 4.350 0.025 0.000 0.272 282 E C -0.111 176.581 176.600 0.153 0.000 1.036 282 E CA -0.155 56.332 56.400 0.145 0.000 0.864 282 E CB 0.581 30.339 29.700 0.096 0.000 1.035 282 E HN 0.516 nan 8.360 nan 0.000 0.408 283 D N 1.669 122.152 120.400 0.139 0.000 2.708 283 D HA -0.253 4.402 4.640 0.025 0.000 0.236 283 D C 0.690 177.051 176.300 0.102 0.000 1.146 283 D CA 0.408 54.466 54.000 0.096 0.000 0.662 283 D CB -1.332 39.486 40.800 0.031 0.000 1.059 283 D HN 0.509 nan 8.370 nan 0.000 0.428 284 F N 1.065 121.033 119.950 0.030 0.000 2.065 284 F HA -0.244 4.298 4.527 0.025 0.000 0.298 284 F C 2.183 177.955 175.800 -0.047 0.000 1.112 284 F CA 2.255 60.266 58.000 0.018 0.000 1.212 284 F CB -0.039 38.829 39.000 -0.221 0.000 0.975 284 F HN 0.018 nan 8.300 nan 0.000 0.476 285 E N -0.253 119.818 120.200 -0.216 0.000 2.118 285 E HA -0.280 4.086 4.350 0.025 0.000 0.195 285 E C 2.341 178.800 176.600 -0.234 0.000 0.992 285 E CA 1.330 57.567 56.400 -0.272 0.000 0.804 285 E CB -0.317 29.366 29.700 -0.028 0.000 0.741 285 E HN 0.461 nan 8.360 nan 0.000 0.458 286 R N 1.412 121.813 120.500 -0.165 0.000 2.073 286 R HA -0.087 4.268 4.340 0.025 0.000 0.229 286 R C 1.953 178.095 176.300 -0.264 0.000 1.120 286 R CA 1.270 57.274 56.100 -0.161 0.000 0.967 286 R CB 0.141 30.379 30.300 -0.103 0.000 0.862 286 R HN -0.033 nan 8.270 nan 0.000 0.436 287 K N -0.697 119.486 120.400 -0.362 0.000 2.103 287 K HA -0.058 4.277 4.320 0.025 0.000 0.204 287 K C -0.056 175.959 176.600 -0.974 0.000 1.052 287 K CA 0.903 56.792 56.287 -0.663 0.000 0.945 287 K CB 0.204 32.234 32.500 -0.782 0.000 0.722 287 K HN 0.099 nan 8.250 nan 0.000 0.443 288 F N 0.972 120.656 119.950 -0.444 0.000 2.531 288 F HA 0.226 4.768 4.527 0.024 0.000 0.333 288 F C -1.853 173.677 175.800 -0.450 0.000 1.292 288 F CA -2.359 55.366 58.000 -0.459 0.000 1.184 288 F CB 1.289 39.910 39.000 -0.631 0.000 1.426 288 F HN -0.113 nan 8.300 nan 0.000 0.559 289 P HA -0.125 nan 4.420 nan 0.000 0.217 289 P C 1.551 178.851 177.300 0.001 0.000 1.151 289 P CA 1.189 64.234 63.100 -0.091 0.000 0.828 289 P CB 0.608 32.265 31.700 -0.071 0.000 0.788 290 V N 0.239 120.196 119.914 0.070 0.000 2.379 290 V HA -0.146 3.989 4.120 0.025 0.000 0.245 290 V C 2.880 179.088 176.094 0.190 0.000 1.044 290 V CA 1.433 63.827 62.300 0.158 0.000 1.036 290 V CB -1.101 30.861 31.823 0.232 0.000 0.664 290 V HN -0.074 nan 8.190 nan 0.000 0.453 291 V N 0.608 120.660 119.914 0.231 0.000 2.358 291 V HA -0.227 3.908 4.120 0.025 0.000 0.246 291 V C 2.769 178.983 176.094 0.200 0.000 1.047 291 V CA 1.926 64.373 62.300 0.245 0.000 1.035 291 V CB -1.223 30.787 31.823 0.312 0.000 0.658 291 V HN 0.535 nan 8.190 nan 0.000 0.452 292 A N -0.176 122.713 122.820 0.115 0.000 1.908 292 A HA -0.276 4.059 4.320 0.025 0.000 0.218 292 A C 2.320 179.997 177.584 0.154 0.000 1.181 292 A CA 2.207 54.357 52.037 0.190 0.000 0.627 292 A CB -0.470 18.532 19.000 0.004 0.000 0.818 292 A HN 0.543 nan 8.150 nan 0.000 0.445 293 K N -1.882 118.571 120.400 0.088 0.000 2.026 293 K HA -0.160 4.175 4.320 0.025 0.000 0.208 293 K C 2.006 178.624 176.600 0.031 0.000 1.048 293 K CA 1.677 58.001 56.287 0.060 0.000 0.929 293 K CB -0.413 32.122 32.500 0.058 0.000 0.713 293 K HN 0.609 nan 8.250 nan 0.000 0.439 294 Y N 1.907 122.120 120.300 -0.145 0.000 2.097 294 Y HA -0.245 4.321 4.550 0.026 0.000 0.282 294 Y C 1.769 177.651 175.900 -0.030 0.000 1.152 294 Y CA 1.524 59.479 58.100 -0.242 0.000 1.136 294 Y CB -0.350 37.581 38.460 -0.881 0.000 0.975 294 Y HN -0.053 nan 8.280 nan 0.000 0.498 295 L N -0.271 120.937 121.223 -0.026 0.000 2.083 295 L HA -0.210 4.145 4.340 0.025 0.000 0.209 295 L C 2.804 179.702 176.870 0.047 0.000 1.083 295 L CA 1.081 55.932 54.840 0.018 0.000 0.752 295 L CB -1.043 41.144 42.059 0.213 0.000 0.899 295 L HN 0.373 nan 8.230 nan 0.000 0.433 296 A N 1.361 124.215 122.820 0.057 0.000 1.877 296 A HA -0.223 4.112 4.320 0.025 0.000 0.216 296 A C 2.326 179.883 177.584 -0.046 0.000 1.186 296 A CA 1.815 53.879 52.037 0.044 0.000 0.620 296 A CB -0.571 18.467 19.000 0.063 0.000 0.822 296 A HN 0.548 nan 8.150 nan 0.000 0.443 297 R N -1.705 118.706 120.500 -0.147 0.000 2.285 297 R HA -0.056 4.299 4.340 0.025 0.000 0.213 297 R C 0.992 177.059 176.300 -0.387 0.000 1.068 297 R CA 1.516 57.460 56.100 -0.259 0.000 1.004 297 R CB -0.495 29.614 30.300 -0.318 0.000 0.873 297 R HN 0.582 nan 8.270 nan 0.000 0.467 298 H N 0.229 119.199 119.070 -0.166 0.000 2.549 298 H HA 0.197 4.768 4.556 0.025 0.000 0.279 298 H C 0.807 176.110 175.328 -0.041 0.000 1.018 298 H CA 0.413 56.379 56.048 -0.137 0.000 1.175 298 H CB 0.914 30.519 29.762 -0.262 0.000 1.485 298 H HN 0.545 nan 8.280 nan 0.000 0.543 299 G N 1.729 110.550 108.800 0.036 0.000 2.283 299 G HA2 -0.288 3.687 3.960 0.025 0.000 0.280 299 G HA3 -0.288 3.687 3.960 0.025 0.000 0.280 299 G C -0.062 174.870 174.900 0.053 0.000 1.029 299 G CA 0.470 45.590 45.100 0.033 0.000 0.840 299 G HN 0.547 nan 8.290 nan 0.000 0.505 300 H N 0.314 119.393 119.070 0.016 0.000 2.581 300 H HA 0.382 4.953 4.556 0.026 0.000 0.308 300 H C 0.178 175.518 175.328 0.019 0.000 1.040 300 H CA -0.800 55.258 56.048 0.017 0.000 1.231 300 H CB 0.789 30.567 29.762 0.027 0.000 1.396 300 H HN 0.190 nan 8.280 nan 0.000 0.467 301 N N 4.327 122.985 118.700 -0.070 0.000 2.440 301 N HA -0.141 4.614 4.740 0.025 0.000 0.265 301 N C 0.806 176.349 175.510 0.055 0.000 1.239 301 N CA 0.074 53.084 53.050 -0.067 0.000 0.909 301 N CB 0.135 38.507 38.487 -0.192 0.000 1.066 301 N HN 0.631 nan 8.380 nan 0.000 0.474 302 Y N 2.805 123.142 120.300 0.060 0.000 2.716 302 Y HA 0.126 4.691 4.550 0.025 0.000 0.302 302 Y C 1.002 176.796 175.900 -0.176 0.000 1.160 302 Y CA 0.569 58.614 58.100 -0.092 0.000 1.362 302 Y CB 0.042 38.313 38.460 -0.315 0.000 0.988 302 Y HN 0.273 nan 8.280 nan 0.000 0.546 303 K N 0.603 120.818 120.400 -0.307 0.000 2.393 303 K HA 0.250 4.586 4.320 0.025 0.000 0.193 303 K C -0.194 176.345 176.600 -0.102 0.000 1.026 303 K CA 0.142 56.297 56.287 -0.220 0.000 1.064 303 K CB 0.520 32.837 32.500 -0.304 0.000 0.833 303 K HN 0.219 nan 8.250 nan 0.000 0.521 304 V N 3.001 122.887 119.914 -0.047 0.000 2.547 304 V HA 0.143 4.278 4.120 0.025 0.000 0.299 304 V C 0.219 176.394 176.094 0.135 0.000 1.040 304 V CA -1.266 61.024 62.300 -0.016 0.000 0.913 304 V CB 1.681 33.421 31.823 -0.138 0.000 0.992 304 V HN 0.208 nan 8.190 nan 0.000 0.449 305 K N 3.981 124.406 120.400 0.042 0.000 2.485 305 K HA 0.308 4.643 4.320 0.025 0.000 0.277 305 K C -0.890 175.857 176.600 0.246 0.000 0.990 305 K CA 0.192 56.520 56.287 0.068 0.000 0.994 305 K CB 0.399 32.819 32.500 -0.133 0.000 0.906 305 K HN 0.515 nan 8.250 nan 0.000 0.488 306 I N 3.719 124.436 120.570 0.244 0.000 2.404 306 I HA 0.252 4.437 4.170 0.025 0.000 0.293 306 I C -2.110 174.216 176.117 0.349 0.000 0.992 306 I CA -3.036 58.375 61.300 0.185 0.000 1.149 306 I CB 1.981 39.941 38.000 -0.066 0.000 1.315 306 I HN 0.587 nan 8.210 nan 0.000 0.446 307 P HA 0.207 nan 4.420 nan 0.000 0.271 307 P C -0.800 176.503 177.300 0.005 0.000 1.233 307 P CA 0.212 63.357 63.100 0.076 0.000 0.764 307 P CB 0.703 32.481 31.700 0.130 0.000 0.825 308 I N 1.458 121.975 120.570 -0.088 0.000 3.264 308 I HA 0.864 5.049 4.170 0.025 0.000 0.309 308 I C -0.973 175.125 176.117 -0.031 0.000 1.099 308 I CA -1.548 59.660 61.300 -0.154 0.000 0.989 308 I CB 2.135 40.052 38.000 -0.138 0.000 1.250 308 I HN 0.254 nan 8.210 nan 0.000 0.478 309 F N -1.197 118.725 119.950 -0.047 0.000 2.725 309 F HA 0.698 5.239 4.527 0.025 0.000 0.311 309 F C -3.276 172.517 175.800 -0.012 0.000 1.121 309 F CA -1.908 56.033 58.000 -0.099 0.000 0.978 309 F CB 0.393 39.283 39.000 -0.183 0.000 1.274 309 F HN 0.293 nan 8.300 nan 0.000 0.440 310 P HA 0.624 nan 4.420 nan 0.000 0.276 310 P C -1.233 176.394 177.300 0.546 0.000 1.252 310 P CA -0.169 63.128 63.100 0.328 0.000 0.802 310 P CB 1.936 33.809 31.700 0.288 0.000 1.035 311 A N 0.343 123.505 122.820 0.570 0.000 2.589 311 A HA 0.624 4.959 4.320 0.025 0.000 0.296 311 A C -0.765 177.160 177.584 0.568 0.000 1.062 311 A CA -0.654 51.758 52.037 0.624 0.000 0.686 311 A CB 0.905 20.225 19.000 0.532 0.000 1.282 311 A HN 0.538 nan 8.150 nan 0.000 0.404 312 A N 0.318 123.401 122.820 0.437 0.000 2.546 312 A HA 0.430 4.765 4.320 0.025 0.000 0.243 312 A C 0.488 178.093 177.584 0.035 0.000 1.063 312 A CA 1.229 53.159 52.037 -0.178 0.000 0.757 312 A CB -0.252 18.617 19.000 -0.217 0.000 0.991 312 A HN 1.484 nan 8.150 nan 0.000 0.503 313 H N 1.271 120.232 119.070 -0.182 0.000 2.381 313 H HA 0.456 5.027 4.556 0.024 0.000 0.252 313 H C -0.719 174.621 175.328 0.019 0.000 0.920 313 H CA 0.602 56.641 56.048 -0.016 0.000 1.100 313 H CB 0.472 30.277 29.762 0.072 0.000 1.435 313 H HN 0.621 nan 8.280 nan 0.000 0.454 314 F N 1.644 121.431 119.950 -0.273 0.000 2.596 314 F HA 0.432 4.973 4.527 0.023 0.000 0.311 314 F C -1.633 173.965 175.800 -0.337 0.000 1.116 314 F CA -1.049 56.745 58.000 -0.343 0.000 0.957 314 F CB 1.442 40.243 39.000 -0.331 0.000 1.250 314 F HN -0.033 nan 8.300 nan 0.000 0.444 315 V N 2.368 121.663 119.914 -1.031 0.000 2.394 315 V HA 0.452 4.587 4.120 0.025 0.000 0.282 315 V C 0.065 175.702 176.094 -0.762 0.000 1.031 315 V CA -0.394 61.435 62.300 -0.786 0.000 0.881 315 V CB 1.391 32.599 31.823 -1.025 0.000 0.982 315 V HN 0.800 nan 8.190 nan 0.000 0.451 316 D N 3.931 124.227 120.400 -0.174 0.000 2.183 316 D HA 0.115 4.770 4.640 0.025 0.000 0.203 316 D C 1.351 177.706 176.300 0.092 0.000 0.969 316 D CA 1.731 55.801 54.000 0.116 0.000 0.842 316 D CB 0.004 40.942 40.800 0.231 0.000 0.957 316 D HN 0.844 nan 8.370 nan 0.000 0.484 317 G N -1.417 107.418 108.800 0.057 0.000 2.543 317 G HA2 0.557 4.532 3.960 0.025 0.000 0.267 317 G HA3 0.557 4.532 3.960 0.025 0.000 0.267 317 G C 0.473 175.418 174.900 0.075 0.000 1.406 317 G CA 0.044 45.200 45.100 0.095 0.000 1.048 317 G HN 0.468 nan 8.290 nan 0.000 0.548 318 G N -1.535 107.337 108.800 0.119 0.000 2.225 318 G HA2 0.008 3.983 3.960 0.025 0.000 0.203 318 G HA3 0.008 3.983 3.960 0.025 0.000 0.203 318 G C -0.548 174.426 174.900 0.124 0.000 1.335 318 G CA -0.446 44.726 45.100 0.120 0.000 1.183 318 G HN 0.807 nan 8.290 nan 0.000 0.488 319 I N 1.989 122.627 120.570 0.114 0.000 2.578 319 I HA 0.225 4.411 4.170 0.025 0.000 0.286 319 I C 1.134 177.332 176.117 0.136 0.000 1.126 319 I CA -0.275 61.108 61.300 0.138 0.000 1.380 319 I CB 0.579 38.653 38.000 0.124 0.000 1.408 319 I HN 0.454 nan 8.210 nan 0.000 0.532 320 R N 6.709 127.320 120.500 0.185 0.000 2.570 320 R HA 0.315 4.670 4.340 0.025 0.000 0.277 320 R C -0.838 175.547 176.300 0.141 0.000 1.039 320 R CA 0.087 56.304 56.100 0.194 0.000 1.065 320 R CB 0.437 30.935 30.300 0.329 0.000 0.964 320 R HN 0.514 nan 8.270 nan 0.000 0.428 321 V N 1.355 121.333 119.914 0.107 0.000 3.188 321 V HA 0.611 4.746 4.120 0.025 0.000 0.305 321 V C -0.796 175.333 176.094 0.059 0.000 1.232 321 V CA -1.223 61.126 62.300 0.082 0.000 1.043 321 V CB 2.122 34.002 31.823 0.096 0.000 1.068 321 V HN 0.947 nan 8.190 nan 0.000 0.439 322 N N 1.363 120.058 118.700 -0.007 0.000 2.431 322 N HA 0.370 5.125 4.740 0.025 0.000 0.289 322 N C 1.196 176.683 175.510 -0.039 0.000 1.277 322 N CA -0.220 52.789 53.050 -0.067 0.000 0.972 322 N CB 0.061 38.437 38.487 -0.185 0.000 1.143 322 N HN 1.013 nan 8.380 nan 0.000 0.578 323 I N -4.111 116.320 120.570 -0.233 0.000 2.700 323 I HA -0.070 4.115 4.170 0.025 0.000 0.261 323 I C 1.391 177.096 176.117 -0.687 0.000 1.219 323 I CA 1.008 62.026 61.300 -0.470 0.000 1.463 323 I CB -0.235 37.196 38.000 -0.948 0.000 1.092 323 I HN 0.314 nan 8.210 nan 0.000 0.452 324 R N 1.551 121.669 120.500 -0.637 0.000 2.210 324 R HA 0.225 4.580 4.340 0.025 0.000 0.203 324 R C 1.506 177.769 176.300 -0.061 0.000 1.010 324 R CA 0.728 56.361 56.100 -0.780 0.000 1.008 324 R CB 0.065 29.770 30.300 -0.993 0.000 0.923 324 R HN 0.615 nan 8.270 nan 0.000 0.469 325 G N 1.404 110.303 108.800 0.165 0.000 2.148 325 G HA2 -0.227 3.748 3.960 0.025 0.000 0.203 325 G HA3 -0.227 3.748 3.960 0.025 0.000 0.203 325 G C -0.476 174.588 174.900 0.273 0.000 0.993 325 G CA -0.477 44.846 45.100 0.373 0.000 0.661 325 G HN 0.319 nan 8.290 nan 0.000 0.518 326 E N 1.358 121.540 120.200 -0.029 0.000 2.289 326 E HA 0.501 4.866 4.350 0.025 0.000 0.278 326 E C 0.945 177.559 176.600 0.024 0.000 1.032 326 E CA 0.247 56.463 56.400 -0.308 0.000 0.854 326 E CB 1.134 30.091 29.700 -1.238 0.000 1.046 326 E HN 0.479 nan 8.360 nan 0.000 0.409 327 S N 2.275 118.149 115.700 0.290 0.000 2.666 327 S HA 0.078 4.563 4.470 0.025 0.000 0.279 327 S C 1.107 175.906 174.600 0.332 0.000 1.149 327 S CA -0.627 57.723 58.200 0.249 0.000 1.020 327 S CB 0.571 63.901 63.200 0.217 0.000 1.127 327 S HN 0.710 nan 8.310 nan 0.000 0.537 328 N N -0.010 118.814 118.700 0.208 0.000 2.459 328 N HA -0.056 4.699 4.740 0.025 0.000 0.181 328 N C 0.095 175.674 175.510 0.116 0.000 1.046 328 N CA 0.475 53.630 53.050 0.174 0.000 0.904 328 N CB -0.490 38.043 38.487 0.076 0.000 0.964 328 N HN 0.492 nan 8.380 nan 0.000 0.444 329 I N 2.735 123.338 120.570 0.055 0.000 2.337 329 I HA 0.136 4.321 4.170 0.025 0.000 0.291 329 I C 0.272 176.095 176.117 -0.491 0.000 1.046 329 I CA -1.063 60.154 61.300 -0.138 0.000 1.324 329 I CB 1.117 39.062 38.000 -0.091 0.000 1.409 329 I HN -0.221 nan 8.210 nan 0.000 0.494 330 V N 8.978 128.421 119.914 -0.785 0.000 2.584 330 V HA -0.056 4.080 4.120 0.025 0.000 0.303 330 V C 1.045 176.350 176.094 -1.316 0.000 1.035 330 V CA 0.436 61.801 62.300 -1.557 0.000 1.172 330 V CB -0.393 30.909 31.823 -0.868 0.000 0.896 330 V HN 0.908 nan 8.190 nan 0.000 0.486 331 N N 0.750 118.211 118.700 -2.066 0.000 2.948 331 N HA -0.175 4.580 4.740 0.025 0.000 0.239 331 N C -0.585 174.687 175.510 -0.397 0.000 0.954 331 N CA 0.923 53.471 53.050 -0.838 0.000 0.941 331 N CB -0.901 37.382 38.487 -0.340 0.000 1.101 331 N HN 0.579 nan 8.380 nan 0.000 0.579 332 L N 1.565 122.553 121.223 -0.392 0.000 2.294 332 L HA 0.449 4.805 4.340 0.025 0.000 0.283 332 L C -0.712 176.271 176.870 0.190 0.000 1.015 332 L CA -0.756 54.078 54.840 -0.011 0.000 0.831 332 L CB 0.317 42.369 42.059 -0.013 0.000 1.217 332 L HN 0.025 nan 8.230 nan 0.000 0.420 333 Y N 3.378 123.879 120.300 0.335 0.000 2.403 333 Y HA 0.774 5.339 4.550 0.024 0.000 0.323 333 Y C 0.396 176.400 175.900 0.175 0.000 1.226 333 Y CA -0.460 57.810 58.100 0.284 0.000 1.235 333 Y CB 1.826 40.433 38.460 0.245 0.000 1.248 333 Y HN 0.662 nan 8.280 nan 0.000 0.489 334 A N 3.594 126.600 122.820 0.310 0.000 2.375 334 A HA 0.783 5.118 4.320 0.025 0.000 0.295 334 A C -1.091 176.561 177.584 0.113 0.000 1.066 334 A CA -0.582 51.559 52.037 0.172 0.000 0.722 334 A CB 0.351 19.427 19.000 0.126 0.000 1.206 334 A HN 0.731 nan 8.150 nan 0.000 0.435 335 I N -0.248 120.367 120.570 0.075 0.000 2.865 335 I HA 0.945 5.130 4.170 0.025 0.000 0.302 335 I C 0.425 176.529 176.117 -0.022 0.000 1.140 335 I CA -0.206 61.096 61.300 0.004 0.000 1.021 335 I CB 2.143 40.224 38.000 0.135 0.000 1.233 335 I HN 1.729 nan 8.210 nan 0.000 0.427 336 G N 3.541 112.292 108.800 -0.082 0.000 2.527 336 G HA2 -0.255 3.720 3.960 0.025 0.000 0.227 336 G HA3 -0.255 3.720 3.960 0.025 0.000 0.227 336 G C 0.267 175.160 174.900 -0.013 0.000 1.291 336 G CA 0.542 45.636 45.100 -0.010 0.000 0.904 336 G HN 1.049 nan 8.290 nan 0.000 0.577 337 E N -0.810 119.389 120.200 -0.002 0.000 2.347 337 E HA 0.093 4.458 4.350 0.025 0.000 0.196 337 E C 2.478 178.997 176.600 -0.135 0.000 1.008 337 E CA 1.232 57.566 56.400 -0.110 0.000 0.852 337 E CB -0.027 29.549 29.700 -0.207 0.000 0.783 337 E HN 0.611 nan 8.360 nan 0.000 0.505 338 V N 0.550 120.430 119.914 -0.056 0.000 2.970 338 V HA -0.075 4.060 4.120 0.025 0.000 0.260 338 V C 0.842 176.940 176.094 0.005 0.000 1.100 338 V CA 1.114 63.406 62.300 -0.013 0.000 1.122 338 V CB 0.041 31.875 31.823 0.019 0.000 0.721 338 V HN 0.331 nan 8.190 nan 0.000 0.483 339 S N -0.294 115.392 115.700 -0.023 0.000 2.713 339 S HA 0.417 4.902 4.470 0.025 0.000 0.283 339 S C -0.475 174.115 174.600 -0.017 0.000 1.161 339 S CA -0.470 57.718 58.200 -0.019 0.000 0.999 339 S CB 1.757 64.903 63.200 -0.090 0.000 1.039 339 S HN 0.356 nan 8.310 nan 0.000 0.548 340 D N 0.026 120.433 120.400 0.012 0.000 2.378 340 D HA 0.325 4.980 4.640 0.025 0.000 0.265 340 D C 0.767 177.078 176.300 0.018 0.000 1.229 340 D CA -0.457 53.565 54.000 0.036 0.000 0.914 340 D CB 0.818 41.665 40.800 0.079 0.000 1.140 340 D HN 0.481 nan 8.370 nan 0.000 0.516 341 S N 1.584 117.252 115.700 -0.053 0.000 2.562 341 S HA 0.256 4.741 4.470 0.025 0.000 0.221 341 S C 1.781 176.390 174.600 0.015 0.000 0.975 341 S CA 0.384 58.574 58.200 -0.016 0.000 0.918 341 S CB 0.020 63.178 63.200 -0.071 0.000 0.772 341 S HN 0.807 nan 8.310 nan 0.000 0.531 342 G N 0.987 109.779 108.800 -0.014 0.000 2.159 342 G HA2 -0.276 3.699 3.960 0.025 0.000 0.256 342 G HA3 -0.276 3.699 3.960 0.025 0.000 0.256 342 G C 0.492 175.345 174.900 -0.077 0.000 0.977 342 G CA 0.374 45.463 45.100 -0.018 0.000 0.652 342 G HN 0.656 nan 8.290 nan 0.000 0.531 343 L N 0.208 121.322 121.223 -0.182 0.000 2.093 343 L HA 0.117 4.472 4.340 0.025 0.000 0.208 343 L C 2.290 178.964 176.870 -0.327 0.000 1.085 343 L CA 2.710 57.372 54.840 -0.296 0.000 0.755 343 L CB -0.363 41.414 42.059 -0.470 0.000 0.904 343 L HN 0.426 nan 8.230 nan 0.000 0.435 344 H N -0.621 118.454 119.070 0.008 0.000 2.562 344 H HA 0.344 4.914 4.556 0.023 0.000 0.267 344 H C 1.622 176.906 175.328 -0.073 0.000 0.959 344 H CA 0.452 56.494 56.048 -0.011 0.000 1.204 344 H CB -0.361 29.451 29.762 0.084 0.000 1.430 344 H HN 0.432 nan 8.280 nan 0.000 0.545 345 G N 1.318 110.104 108.800 -0.023 0.000 2.634 345 G HA2 -0.406 3.569 3.960 0.025 0.000 0.309 345 G HA3 -0.406 3.569 3.960 0.025 0.000 0.309 345 G C 1.271 175.929 174.900 -0.404 0.000 1.265 345 G CA 1.460 46.455 45.100 -0.175 0.000 0.998 345 G HN 0.589 nan 8.290 nan 0.000 0.551 346 A N -0.123 122.367 122.820 -0.550 0.000 2.251 346 A HA 0.483 4.818 4.320 0.025 0.000 0.209 346 A C 0.892 178.325 177.584 -0.251 0.000 1.187 346 A CA 1.467 52.984 52.037 -0.866 0.000 0.823 346 A CB -0.140 18.445 19.000 -0.690 0.000 0.846 346 A HN 1.026 nan 8.150 nan 0.000 0.486 347 N N -0.417 118.220 118.700 -0.106 0.000 2.999 347 N HA 0.081 4.836 4.740 0.025 0.000 0.244 347 N C -1.146 174.369 175.510 0.008 0.000 1.106 347 N CA -0.396 52.653 53.050 -0.001 0.000 1.018 347 N CB 1.166 39.657 38.487 0.006 0.000 1.600 347 N HN 0.404 nan 8.380 nan 0.000 0.621 348 R N 2.159 122.651 120.500 -0.013 0.000 2.623 348 R HA 0.153 4.508 4.340 0.025 0.000 0.271 348 R C -0.542 175.695 176.300 -0.105 0.000 1.043 348 R CA -0.182 55.835 56.100 -0.140 0.000 1.083 348 R CB 0.482 30.388 30.300 -0.657 0.000 0.974 348 R HN 0.469 nan 8.270 nan 0.000 0.436 349 L N 4.113 125.305 121.223 -0.051 0.000 2.276 349 L HA 0.352 4.707 4.340 0.025 0.000 0.286 349 L C -0.365 176.499 176.870 -0.009 0.000 1.061 349 L CA 0.087 54.903 54.840 -0.041 0.000 0.807 349 L CB 1.179 43.192 42.059 -0.077 0.000 1.177 349 L HN 0.813 nan 8.230 nan 0.000 0.429 350 A N 3.747 126.605 122.820 0.064 0.000 2.587 350 A HA 0.339 4.674 4.320 0.025 0.000 0.235 350 A C 1.256 178.922 177.584 0.137 0.000 1.044 350 A CA 0.948 53.031 52.037 0.077 0.000 0.754 350 A CB -0.322 18.738 19.000 0.100 0.000 0.968 350 A HN 1.387 nan 8.150 nan 0.000 0.509 351 S N 0.878 116.586 115.700 0.013 0.000 2.691 351 S HA -0.186 4.299 4.470 0.025 0.000 0.262 351 S C 1.049 175.674 174.600 0.042 0.000 1.284 351 S CA 1.319 59.522 58.200 0.006 0.000 1.372 351 S CB -1.456 61.740 63.200 -0.006 0.000 1.693 351 S HN 0.896 nan 8.310 nan 0.000 0.647 352 N N 1.136 119.869 118.700 0.055 0.000 2.463 352 N HA 0.126 4.882 4.740 0.025 0.000 0.181 352 N C 1.635 177.200 175.510 0.092 0.000 1.078 352 N CA 1.119 54.234 53.050 0.107 0.000 0.902 352 N CB -0.177 38.398 38.487 0.147 0.000 0.970 352 N HN 0.748 nan 8.380 nan 0.000 0.451 353 S N 0.006 115.666 115.700 -0.066 0.000 2.377 353 S HA 0.057 4.542 4.470 0.025 0.000 0.223 353 S C 1.983 176.603 174.600 0.033 0.000 1.030 353 S CA 0.421 58.584 58.200 -0.061 0.000 0.970 353 S CB -0.433 62.532 63.200 -0.392 0.000 0.830 353 S HN 0.168 nan 8.310 nan 0.000 0.473 354 L N 0.684 121.902 121.223 -0.008 0.000 2.141 354 L HA 0.007 4.362 4.340 0.025 0.000 0.209 354 L C 2.528 179.398 176.870 -0.000 0.000 1.094 354 L CA 0.705 55.544 54.840 -0.001 0.000 0.763 354 L CB -0.537 41.510 42.059 -0.019 0.000 0.908 354 L HN 0.285 nan 8.230 nan 0.000 0.437 355 L N 0.229 121.460 121.223 0.012 0.000 2.017 355 L HA -0.223 4.133 4.340 0.025 0.000 0.208 355 L C 2.441 179.351 176.870 0.067 0.000 1.073 355 L CA 1.881 56.731 54.840 0.017 0.000 0.745 355 L CB -0.586 41.500 42.059 0.046 0.000 0.894 355 L HN 0.276 nan 8.230 nan 0.000 0.432 356 E N -0.718 119.555 120.200 0.122 0.000 2.038 356 E HA -0.213 4.152 4.350 0.025 0.000 0.195 356 E C 2.102 178.839 176.600 0.229 0.000 1.000 356 E CA 1.364 57.888 56.400 0.207 0.000 0.803 356 E CB -0.621 29.181 29.700 0.170 0.000 0.750 356 E HN 0.602 nan 8.360 nan 0.000 0.448 357 G N 1.283 110.159 108.800 0.126 0.000 2.440 357 G HA2 -0.281 3.694 3.960 0.025 0.000 0.218 357 G HA3 -0.281 3.694 3.960 0.025 0.000 0.218 357 G C 1.525 176.484 174.900 0.100 0.000 1.154 357 G CA 0.950 46.113 45.100 0.104 0.000 0.767 357 G HN 0.320 nan 8.290 nan 0.000 0.552 358 L N 0.577 121.812 121.223 0.020 0.000 2.093 358 L HA 0.035 4.391 4.340 0.025 0.000 0.208 358 L C 2.921 179.776 176.870 -0.024 0.000 1.085 358 L CA 1.252 56.044 54.840 -0.081 0.000 0.755 358 L CB -0.348 41.578 42.059 -0.221 0.000 0.904 358 L HN 0.090 nan 8.230 nan 0.000 0.435 359 V N -0.800 119.142 119.914 0.047 0.000 2.270 359 V HA -0.285 3.850 4.120 0.025 0.000 0.245 359 V C 2.280 178.420 176.094 0.077 0.000 1.043 359 V CA 2.192 64.498 62.300 0.011 0.000 1.014 359 V CB -0.738 31.064 31.823 -0.036 0.000 0.645 359 V HN 0.342 nan 8.190 nan 0.000 0.447 360 F N 1.024 121.020 119.950 0.078 0.000 2.216 360 F HA -0.060 4.481 4.527 0.023 0.000 0.300 360 F C 2.339 178.192 175.800 0.088 0.000 1.085 360 F CA 1.448 59.524 58.000 0.125 0.000 1.326 360 F CB -0.830 38.237 39.000 0.111 0.000 1.027 360 F HN 0.228 nan 8.300 nan 0.000 0.497 361 G N 0.160 109.098 108.800 0.231 0.000 2.404 361 G HA2 -0.157 3.818 3.960 0.025 0.000 0.214 361 G HA3 -0.157 3.818 3.960 0.025 0.000 0.214 361 G C 1.681 176.657 174.900 0.126 0.000 1.189 361 G CA 0.634 45.823 45.100 0.150 0.000 0.789 361 G HN 0.306 nan 8.290 nan 0.000 0.533 362 I N 1.004 121.626 120.570 0.086 0.000 2.394 362 I HA -0.110 4.075 4.170 0.025 0.000 0.251 362 I C 1.962 178.115 176.117 0.059 0.000 1.136 362 I CA 0.718 62.066 61.300 0.081 0.000 1.425 362 I CB -0.090 37.855 38.000 -0.092 0.000 1.079 362 I HN 0.067 nan 8.210 nan 0.000 0.425 363 N N 0.440 119.160 118.700 0.034 0.000 2.463 363 N HA -0.051 4.704 4.740 0.025 0.000 0.181 363 N C 1.633 177.137 175.510 -0.010 0.000 1.078 363 N CA 0.315 53.366 53.050 0.002 0.000 0.902 363 N CB -0.086 38.434 38.487 0.056 0.000 0.970 363 N HN 0.159 nan 8.380 nan 0.000 0.451 364 L N 1.956 123.215 121.223 0.061 0.000 2.089 364 L HA -0.088 4.267 4.340 0.025 0.000 0.213 364 L C -1.004 175.845 176.870 -0.035 0.000 1.079 364 L CA 2.030 56.895 54.840 0.043 0.000 0.758 364 L CB -1.356 40.682 42.059 -0.034 0.000 0.891 364 L HN 0.057 nan 8.230 nan 0.000 0.433 365 P HA -0.169 nan 4.420 nan 0.000 0.222 365 P C 1.457 178.682 177.300 -0.124 0.000 1.147 365 P CA 1.147 64.217 63.100 -0.049 0.000 0.790 365 P CB -0.168 31.527 31.700 -0.007 0.000 0.780 366 R N -1.182 119.139 120.500 -0.298 0.000 2.193 366 R HA -0.137 4.218 4.340 0.025 0.000 0.229 366 R C 0.908 176.875 176.300 -0.555 0.000 1.110 366 R CA 1.436 57.226 56.100 -0.517 0.000 0.988 366 R CB -0.176 29.617 30.300 -0.846 0.000 0.871 366 R HN 0.244 nan 8.270 nan 0.000 0.458 367 Y N -2.723 117.577 120.300 -0.000 0.000 2.430 367 Y HA 0.117 4.683 4.550 0.026 0.000 0.254 367 Y C 1.651 177.603 175.900 0.086 0.000 1.088 367 Y CA -0.397 57.713 58.100 0.017 0.000 1.267 367 Y CB -0.013 38.439 38.460 -0.013 0.000 1.204 367 Y HN -0.194 nan 8.280 nan 0.000 0.515 368 V N 0.944 120.978 119.914 0.201 0.000 2.688 368 V HA -0.219 3.917 4.120 0.025 0.000 0.256 368 V C 0.781 177.007 176.094 0.219 0.000 1.084 368 V CA 2.249 64.697 62.300 0.246 0.000 1.103 368 V CB -0.203 31.703 31.823 0.137 0.000 0.688 368 V HN 0.360 nan 8.190 nan 0.000 0.480 369 D N -0.591 119.898 120.400 0.149 0.000 2.368 369 D HA 0.189 4.844 4.640 0.025 0.000 0.218 369 D C 0.596 176.969 176.300 0.122 0.000 1.112 369 D CA 0.166 54.239 54.000 0.121 0.000 0.834 369 D CB 0.665 41.510 40.800 0.074 0.000 0.953 369 D HN 0.419 nan 8.370 nan 0.000 0.505 370 S N -0.085 115.708 115.700 0.155 0.000 2.718 370 S HA 0.395 4.880 4.470 0.025 0.000 0.300 370 S C 0.298 174.994 174.600 0.160 0.000 1.117 370 S CA -0.791 57.491 58.200 0.136 0.000 1.002 370 S CB 1.891 65.172 63.200 0.134 0.000 1.092 370 S HN 0.179 nan 8.310 nan 0.000 0.542 371 S N 1.333 117.111 115.700 0.130 0.000 2.576 371 S HA 0.184 4.669 4.470 0.025 0.000 0.276 371 S C -0.279 174.435 174.600 0.189 0.000 1.339 371 S CA -0.684 57.609 58.200 0.155 0.000 1.039 371 S CB 0.138 63.404 63.200 0.109 0.000 0.902 371 S HN 0.707 nan 8.310 nan 0.000 0.516 372 W N 2.285 123.595 121.300 0.016 0.000 2.210 372 W HA 0.109 4.785 4.660 0.026 0.000 0.330 372 W C 0.365 176.873 176.519 -0.018 0.000 1.334 372 W CA -0.047 57.292 57.345 -0.009 0.000 1.227 372 W CB 0.674 30.110 29.460 -0.039 0.000 1.178 372 W HN 0.889 nan 8.180 nan 0.000 0.560 373 E N 2.991 123.050 120.200 -0.234 0.000 2.175 373 E HA 0.175 4.540 4.350 0.025 0.000 0.195 373 E C 1.270 177.818 176.600 -0.086 0.000 0.934 373 E CA 1.211 57.528 56.400 -0.138 0.000 0.870 373 E CB -0.224 29.351 29.700 -0.209 0.000 0.838 373 E HN 0.743 nan 8.360 nan 0.000 0.474 374 G N 1.679 110.299 108.800 -0.301 0.000 2.568 374 G HA2 -0.236 3.739 3.960 0.025 0.000 0.222 374 G HA3 -0.236 3.739 3.960 0.025 0.000 0.222 374 G C -0.035 174.836 174.900 -0.047 0.000 1.321 374 G CA -0.087 45.012 45.100 -0.002 0.000 0.893 374 G HN 0.311 nan 8.290 nan 0.000 0.569 375 I N -2.827 117.751 120.570 0.014 0.000 3.067 375 I HA 0.895 5.080 4.170 0.025 0.000 0.312 375 I C 0.028 176.119 176.117 -0.043 0.000 1.073 375 I CA -0.530 60.759 61.300 -0.019 0.000 1.016 375 I CB 2.233 40.232 38.000 -0.001 0.000 1.227 375 I HN 1.036 nan 8.210 nan 0.000 0.456 376 S N 0.469 116.135 115.700 -0.057 0.000 2.513 376 S HA 0.519 5.004 4.470 0.025 0.000 0.299 376 S C 0.316 174.832 174.600 -0.141 0.000 1.087 376 S CA 0.006 58.160 58.200 -0.075 0.000 1.012 376 S CB 1.409 64.587 63.200 -0.037 0.000 1.044 376 S HN 0.862 nan 8.310 nan 0.000 0.485 377 T N 0.381 114.806 114.554 -0.215 0.000 3.092 377 T HA 0.230 4.595 4.350 0.025 0.000 0.258 377 T C 0.343 175.006 174.700 -0.062 0.000 1.031 377 T CA -0.226 61.649 62.100 -0.376 0.000 0.925 377 T CB -0.157 68.377 68.868 -0.556 0.000 1.036 377 T HN 0.527 nan 8.240 nan 0.000 0.544 378 D N 3.191 123.579 120.400 -0.020 0.000 2.351 378 D HA -0.093 4.562 4.640 0.025 0.000 0.216 378 D C 1.392 177.733 176.300 0.068 0.000 0.968 378 D CA 0.961 54.972 54.000 0.018 0.000 0.899 378 D CB -0.116 40.686 40.800 0.003 0.000 0.907 378 D HN 0.724 nan 8.370 nan 0.000 0.514 379 D N -0.475 120.005 120.400 0.134 0.000 2.358 379 D HA 0.167 4.822 4.640 0.025 0.000 0.224 379 D C 0.919 177.346 176.300 0.211 0.000 1.123 379 D CA -0.222 53.869 54.000 0.151 0.000 0.833 379 D CB 0.273 41.161 40.800 0.146 0.000 0.946 379 D HN 0.134 nan 8.370 nan 0.000 0.505 380 G N -0.445 108.523 108.800 0.280 0.000 2.561 380 G HA2 0.504 4.479 3.960 0.025 0.000 0.310 380 G HA3 0.504 4.479 3.960 0.025 0.000 0.310 380 G C -1.704 173.344 174.900 0.246 0.000 1.292 380 G CA -0.937 44.331 45.100 0.280 0.000 0.811 380 G HN 0.108 nan 8.290 nan 0.000 0.482 381 I N 0.801 121.519 120.570 0.246 0.000 2.406 381 I HA 0.390 4.575 4.170 0.025 0.000 0.290 381 I C -0.327 175.858 176.117 0.113 0.000 0.999 381 I CA -0.977 60.391 61.300 0.113 0.000 1.124 381 I CB 2.092 40.131 38.000 0.064 0.000 1.289 381 I HN 0.110 nan 8.210 nan 0.000 0.441 382 V N 5.895 125.808 119.914 -0.002 0.000 2.461 382 V HA 0.192 4.327 4.120 0.025 0.000 0.275 382 V C -0.540 175.469 176.094 -0.141 0.000 1.047 382 V CA -0.386 61.931 62.300 0.029 0.000 0.955 382 V CB 0.590 32.418 31.823 0.008 0.000 0.988 382 V HN 0.564 nan 8.190 nan 0.000 0.471 383 H N 1.700 120.815 119.070 0.075 0.000 2.551 383 H HA 0.478 5.048 4.556 0.024 0.000 0.321 383 H C -0.053 175.427 175.328 0.253 0.000 1.028 383 H CA -0.229 55.904 56.048 0.142 0.000 1.215 383 H CB 1.330 31.176 29.762 0.140 0.000 1.414 383 H HN 0.605 nan 8.280 nan 0.000 0.480 384 S N 2.756 118.616 115.700 0.266 0.000 2.489 384 S HA 0.422 4.907 4.470 0.025 0.000 0.277 384 S C -0.077 174.682 174.600 0.265 0.000 1.230 384 S CA -0.784 57.558 58.200 0.237 0.000 1.053 384 S CB 0.478 63.755 63.200 0.130 0.000 0.955 384 S HN 0.493 nan 8.310 nan 0.000 0.488 385 V N 1.969 122.060 119.914 0.295 0.000 2.735 385 V HA 0.750 4.885 4.120 0.025 0.000 0.310 385 V C -0.649 175.573 176.094 0.214 0.000 1.061 385 V CA -1.465 61.004 62.300 0.281 0.000 0.913 385 V CB 1.703 33.731 31.823 0.343 0.000 1.005 385 V HN 0.906 nan 8.190 nan 0.000 0.428 386 R N 4.272 124.872 120.500 0.167 0.000 2.338 386 R HA 0.731 5.087 4.340 0.025 0.000 0.317 386 R C -1.150 175.204 176.300 0.090 0.000 0.968 386 R CA -0.770 55.390 56.100 0.101 0.000 0.849 386 R CB 1.671 32.009 30.300 0.064 0.000 1.128 386 R HN 0.601 nan 8.270 nan 0.000 0.448 387 I N 2.273 122.885 120.570 0.070 0.000 2.312 387 I HA 0.291 4.476 4.170 0.025 0.000 0.290 387 I C -0.162 175.952 176.117 -0.005 0.000 1.008 387 I CA -0.106 61.210 61.300 0.028 0.000 1.226 387 I CB 1.056 39.097 38.000 0.068 0.000 1.371 387 I HN 0.761 nan 8.210 nan 0.000 0.468 388 S N 3.859 119.539 115.700 -0.033 0.000 2.562 388 S HA 0.870 5.356 4.470 0.025 0.000 0.274 388 S C -0.497 174.077 174.600 -0.044 0.000 1.160 388 S CA 0.039 58.221 58.200 -0.029 0.000 0.933 388 S CB 1.659 64.850 63.200 -0.015 0.000 1.100 388 S HN 1.159 nan 8.310 nan 0.000 0.468 389 G N 2.757 111.535 108.800 -0.036 0.000 2.359 389 G HA2 0.184 4.159 3.960 0.025 0.000 0.293 389 G HA3 0.184 4.159 3.960 0.025 0.000 0.293 389 G C -0.873 174.009 174.900 -0.030 0.000 1.300 389 G CA 0.053 45.131 45.100 -0.037 0.000 0.888 389 G HN 1.012 nan 8.290 nan 0.000 0.541 390 N N -0.570 118.113 118.700 -0.028 0.000 2.167 390 N HA 0.042 4.797 4.740 0.025 0.000 0.234 390 N C 0.150 175.649 175.510 -0.020 0.000 1.312 390 N CA -0.199 52.838 53.050 -0.021 0.000 0.861 390 N CB 0.778 39.255 38.487 -0.016 0.000 1.217 390 N HN 0.682 nan 8.380 nan 0.000 0.504 391 K N 1.879 122.265 120.400 -0.024 0.000 2.412 391 K HA 0.086 4.421 4.320 0.025 0.000 0.281 391 K C -0.568 176.026 176.600 -0.010 0.000 1.027 391 K CA 0.360 56.635 56.287 -0.020 0.000 0.989 391 K CB 0.402 32.886 32.500 -0.027 0.000 0.935 391 K HN 0.263 nan 8.250 nan 0.000 0.475 392 T N 2.415 116.966 114.554 -0.005 0.000 2.848 392 T HA 0.517 4.882 4.350 0.025 0.000 0.285 392 T C -0.343 174.363 174.700 0.011 0.000 0.995 392 T CA -1.011 61.090 62.100 0.003 0.000 0.970 392 T CB 0.865 69.733 68.868 -0.001 0.000 0.976 392 T HN 0.407 nan 8.240 nan 0.000 0.441 393 L N 2.499 123.738 121.223 0.026 0.000 2.342 393 L HA 0.668 5.023 4.340 0.025 0.000 0.271 393 L C 0.770 177.658 176.870 0.030 0.000 1.008 393 L CA -1.179 53.682 54.840 0.035 0.000 0.818 393 L CB 2.309 44.415 42.059 0.080 0.000 1.296 393 L HN 0.946 nan 8.230 nan 0.000 0.427 394 S N 0.818 116.532 115.700 0.022 0.000 2.603 394 S HA 0.162 4.647 4.470 0.025 0.000 0.268 394 S C 0.757 175.372 174.600 0.024 0.000 1.317 394 S CA -0.636 57.574 58.200 0.017 0.000 1.012 394 S CB 1.215 64.420 63.200 0.009 0.000 0.926 394 S HN 0.590 nan 8.310 nan 0.000 0.539 395 L N 1.448 122.685 121.223 0.023 0.000 2.083 395 L HA 0.010 4.365 4.340 0.025 0.000 0.209 395 L C 2.468 179.342 176.870 0.007 0.000 1.083 395 L CA 1.934 56.791 54.840 0.027 0.000 0.752 395 L CB -0.885 41.205 42.059 0.053 0.000 0.899 395 L HN 0.967 nan 8.230 nan 0.000 0.433 396 K N -0.837 119.562 120.400 -0.003 0.000 2.097 396 K HA -0.243 4.092 4.320 0.025 0.000 0.206 396 K C 2.097 178.685 176.600 -0.021 0.000 1.049 396 K CA 1.489 57.757 56.287 -0.031 0.000 0.933 396 K CB -0.045 32.435 32.500 -0.033 0.000 0.717 396 K HN 0.298 nan 8.250 nan 0.000 0.442 397 E N 1.056 121.257 120.200 0.002 0.000 2.072 397 E HA -0.116 4.249 4.350 0.025 0.000 0.191 397 E C 1.752 178.381 176.600 0.048 0.000 0.985 397 E CA 1.330 57.739 56.400 0.016 0.000 0.801 397 E CB -0.167 29.542 29.700 0.015 0.000 0.750 397 E HN 0.379 nan 8.360 nan 0.000 0.452 398 I N 0.334 120.950 120.570 0.076 0.000 2.163 398 I HA -0.311 3.875 4.170 0.025 0.000 0.243 398 I C 2.483 178.640 176.117 0.067 0.000 1.085 398 I CA 1.421 62.808 61.300 0.145 0.000 1.347 398 I CB -0.290 37.759 38.000 0.082 0.000 1.044 398 I HN 0.083 nan 8.210 nan 0.000 0.408 399 R N 0.076 120.574 120.500 -0.004 0.000 2.120 399 R HA -0.172 4.184 4.340 0.025 0.000 0.234 399 R C 2.420 178.750 176.300 0.050 0.000 1.123 399 R CA 1.120 57.195 56.100 -0.042 0.000 0.975 399 R CB -0.355 29.873 30.300 -0.119 0.000 0.866 399 R HN 0.375 nan 8.270 nan 0.000 0.446 400 R N 1.072 121.607 120.500 0.059 0.000 2.075 400 R HA -0.017 4.339 4.340 0.025 0.000 0.226 400 R C 2.115 178.529 176.300 0.191 0.000 1.114 400 R CA 0.990 57.168 56.100 0.129 0.000 0.972 400 R CB -0.064 30.272 30.300 0.060 0.000 0.869 400 R HN 0.145 nan 8.270 nan 0.000 0.437 401 I N 1.144 121.787 120.570 0.122 0.000 2.226 401 I HA -0.283 3.902 4.170 0.025 0.000 0.245 401 I C 1.724 177.931 176.117 0.149 0.000 1.100 401 I CA 1.618 62.979 61.300 0.101 0.000 1.374 401 I CB -0.443 37.573 38.000 0.027 0.000 1.057 401 I HN 0.337 nan 8.210 nan 0.000 0.413 402 N N -0.054 118.723 118.700 0.130 0.000 2.188 402 N HA -0.225 4.530 4.740 0.025 0.000 0.184 402 N C 1.844 177.526 175.510 0.286 0.000 1.018 402 N CA 0.971 54.035 53.050 0.022 0.000 0.858 402 N CB -0.177 37.986 38.487 -0.540 0.000 0.989 402 N HN 0.502 nan 8.380 nan 0.000 0.426 403 W N 2.307 123.748 121.300 0.235 0.000 2.381 403 W HA -0.119 4.557 4.660 0.027 0.000 0.301 403 W C 1.261 178.004 176.519 0.373 0.000 1.205 403 W CA 1.338 58.947 57.345 0.440 0.000 1.285 403 W CB 0.092 29.790 29.460 0.397 0.000 1.133 403 W HN 0.164 nan 8.180 nan 0.000 0.521 404 E N -0.425 119.949 120.200 0.291 0.000 2.102 404 E HA -0.118 4.247 4.350 0.025 0.000 0.190 404 E C 1.595 178.262 176.600 0.112 0.000 0.971 404 E CA 0.761 57.258 56.400 0.161 0.000 0.821 404 E CB -0.151 29.647 29.700 0.163 0.000 0.777 404 E HN 0.167 nan 8.360 nan 0.000 0.460 405 N N -0.047 118.719 118.700 0.111 0.000 2.254 405 N HA 0.030 4.785 4.740 0.025 0.000 0.190 405 N C -0.040 175.525 175.510 0.093 0.000 1.107 405 N CA 0.382 53.478 53.050 0.077 0.000 0.869 405 N CB 1.980 40.494 38.487 0.045 0.000 0.983 405 N HN -0.060 nan 8.380 nan 0.000 0.487 406 V N -0.009 119.993 119.914 0.147 0.000 2.864 406 V HA 0.394 4.530 4.120 0.025 0.000 0.378 406 V C 0.785 177.062 176.094 0.306 0.000 1.346 406 V CA -0.538 61.881 62.300 0.199 0.000 1.328 406 V CB 0.714 32.673 31.823 0.227 0.000 1.361 406 V HN 0.094 nan 8.190 nan 0.000 0.641 407 G N -0.062 108.766 108.800 0.047 0.000 2.782 407 G HA2 0.518 4.493 3.960 0.025 0.000 0.201 407 G HA3 0.518 4.493 3.960 0.025 0.000 0.201 407 G C 0.943 175.421 174.900 -0.705 0.000 1.374 407 G CA -0.501 44.403 45.100 -0.327 0.000 1.039 407 G HN 0.143 nan 8.290 nan 0.000 0.576 408 I N -0.046 119.579 120.570 -1.575 0.000 2.194 408 I HA -0.057 4.129 4.170 0.025 0.000 0.246 408 I C 0.558 176.317 176.117 -0.598 0.000 1.093 408 I CA 1.401 61.916 61.300 -1.309 0.000 1.355 408 I CB -0.217 36.833 38.000 -1.583 0.000 1.046 408 I HN 0.019 nan 8.210 nan 0.000 0.413 409 I N 0.645 120.907 120.570 -0.513 0.000 2.436 409 I HA 0.333 4.518 4.170 0.025 0.000 0.289 409 I C -0.202 175.895 176.117 -0.034 0.000 1.010 409 I CA -0.486 60.813 61.300 -0.001 0.000 1.098 409 I CB 1.687 39.818 38.000 0.220 0.000 1.266 409 I HN 0.026 nan 8.210 nan 0.000 0.434 410 R N 4.261 124.709 120.500 -0.087 0.000 2.919 410 R HA 0.676 5.031 4.340 0.025 0.000 0.260 410 R C -1.199 175.033 176.300 -0.113 0.000 1.067 410 R CA -0.963 55.085 56.100 -0.086 0.000 1.003 410 R CB 2.009 32.256 30.300 -0.089 0.000 1.192 410 R HN 0.787 nan 8.270 nan 0.000 0.488 411 N N -1.929 116.734 118.700 -0.061 0.000 2.961 411 N HA 0.001 4.756 4.740 0.025 0.000 0.245 411 N C -0.190 175.316 175.510 -0.007 0.000 1.404 411 N CA -0.901 52.118 53.050 -0.051 0.000 0.880 411 N CB 0.827 39.276 38.487 -0.064 0.000 1.461 411 N HN 0.649 nan 8.380 nan 0.000 0.510 412 E N 0.117 120.327 120.200 0.018 0.000 2.049 412 E HA -0.317 4.048 4.350 0.025 0.000 0.198 412 E C 1.052 177.661 176.600 0.016 0.000 1.007 412 E CA 1.770 58.191 56.400 0.035 0.000 0.809 412 E CB -0.002 29.736 29.700 0.063 0.000 0.749 412 E HN 0.720 nan 8.360 nan 0.000 0.450 413 E N 0.321 120.523 120.200 0.003 0.000 2.049 413 E HA -0.262 4.103 4.350 0.025 0.000 0.198 413 E C 2.038 178.637 176.600 -0.002 0.000 1.007 413 E CA 1.685 58.085 56.400 -0.001 0.000 0.809 413 E CB 0.070 29.764 29.700 -0.010 0.000 0.749 413 E HN 0.156 nan 8.360 nan 0.000 0.450 414 K N 0.100 120.499 120.400 -0.002 0.000 2.057 414 K HA -0.123 4.212 4.320 0.025 0.000 0.207 414 K C 2.341 178.947 176.600 0.010 0.000 1.049 414 K CA 1.199 57.488 56.287 0.003 0.000 0.931 414 K CB -0.163 32.343 32.500 0.009 0.000 0.714 414 K HN 0.204 nan 8.250 nan 0.000 0.440 415 L N 0.724 121.955 121.223 0.014 0.000 2.046 415 L HA -0.196 4.159 4.340 0.025 0.000 0.208 415 L C 2.348 179.228 176.870 0.016 0.000 1.077 415 L CA 0.902 55.754 54.840 0.020 0.000 0.747 415 L CB -0.489 41.579 42.059 0.015 0.000 0.896 415 L HN -0.001 nan 8.230 nan 0.000 0.432 416 V N -0.112 119.809 119.914 0.012 0.000 2.407 416 V HA -0.272 3.863 4.120 0.025 0.000 0.248 416 V C 2.460 178.556 176.094 0.003 0.000 1.055 416 V CA 1.654 63.963 62.300 0.015 0.000 1.049 416 V CB -0.526 31.306 31.823 0.016 0.000 0.662 416 V HN 0.438 nan 8.190 nan 0.000 0.455 417 K N 0.445 120.837 120.400 -0.013 0.000 2.026 417 K HA -0.133 4.202 4.320 0.025 0.000 0.208 417 K C 2.355 178.905 176.600 -0.083 0.000 1.048 417 K CA 1.532 57.794 56.287 -0.042 0.000 0.929 417 K CB -0.458 32.018 32.500 -0.040 0.000 0.713 417 K HN 0.463 nan 8.250 nan 0.000 0.439 418 A N 1.711 124.493 122.820 -0.064 0.000 1.877 418 A HA -0.163 4.172 4.320 0.025 0.000 0.216 418 A C 2.172 179.728 177.584 -0.047 0.000 1.186 418 A CA 1.334 53.304 52.037 -0.112 0.000 0.620 418 A CB -0.663 18.370 19.000 0.055 0.000 0.822 418 A HN 0.177 nan 8.150 nan 0.000 0.443 419 I N 0.142 120.755 120.570 0.072 0.000 2.127 419 I HA -0.306 3.879 4.170 0.025 0.000 0.241 419 I C 2.088 178.307 176.117 0.170 0.000 1.075 419 I CA 1.491 62.907 61.300 0.194 0.000 1.334 419 I CB -0.498 37.570 38.000 0.113 0.000 1.040 419 I HN 0.334 nan 8.210 nan 0.000 0.405 420 N N 0.202 118.929 118.700 0.045 0.000 2.223 420 N HA -0.126 4.629 4.740 0.025 0.000 0.185 420 N C 1.796 177.262 175.510 -0.074 0.000 1.016 420 N CA 1.570 54.620 53.050 -0.000 0.000 0.863 420 N CB -0.466 38.013 38.487 -0.015 0.000 0.983 420 N HN 0.358 nan 8.380 nan 0.000 0.429 421 T N 0.153 114.599 114.554 -0.180 0.000 2.777 421 T HA -0.065 4.300 4.350 0.025 0.000 0.266 421 T C 1.282 175.821 174.700 -0.268 0.000 1.040 421 T CA 0.974 62.894 62.100 -0.301 0.000 1.141 421 T CB -0.180 68.366 68.868 -0.537 0.000 0.868 421 T HN 0.264 nan 8.240 nan 0.000 0.444 422 Y N 1.533 121.812 120.300 -0.035 0.000 2.517 422 Y HA 0.120 4.685 4.550 0.025 0.000 0.281 422 Y C 2.746 178.445 175.900 -0.335 0.000 1.125 422 Y CA -0.159 57.874 58.100 -0.111 0.000 1.283 422 Y CB -0.874 37.580 38.460 -0.010 0.000 1.042 422 Y HN 0.240 nan 8.280 nan 0.000 0.547 423 S N 0.097 115.667 115.700 -0.216 0.000 2.380 423 S HA -0.226 4.259 4.470 0.025 0.000 0.229 423 S C 1.619 176.027 174.600 -0.320 0.000 1.043 423 S CA 1.600 59.538 58.200 -0.438 0.000 1.038 423 S CB -1.031 62.092 63.200 -0.129 0.000 0.872 423 S HN 0.427 nan 8.310 nan 0.000 0.456 424 S N 0.157 115.756 115.700 -0.168 0.000 2.526 424 S HA 0.565 5.050 4.470 0.025 0.000 0.247 424 S C -0.039 174.506 174.600 -0.091 0.000 1.076 424 S CA -0.417 57.715 58.200 -0.114 0.000 1.105 424 S CB -0.056 63.102 63.200 -0.070 0.000 0.793 424 S HN 0.409 nan 8.310 nan 0.000 0.458 425 S N 1.013 116.644 115.700 -0.116 0.000 2.548 425 S HA 0.596 5.081 4.470 0.025 0.000 0.286 425 S C 0.563 175.116 174.600 -0.079 0.000 1.098 425 S CA -0.228 57.931 58.200 -0.069 0.000 0.930 425 S CB 1.708 64.896 63.200 -0.021 0.000 1.070 425 S HN 0.501 nan 8.310 nan 0.000 0.480 426 T N 0.837 115.363 114.554 -0.047 0.000 3.085 426 T HA 0.317 4.682 4.350 0.025 0.000 0.264 426 T C 0.177 174.862 174.700 -0.024 0.000 1.019 426 T CA -0.282 61.799 62.100 -0.032 0.000 0.910 426 T CB -0.178 68.678 68.868 -0.019 0.000 1.059 426 T HN 0.640 nan 8.240 nan 0.000 0.542 427 Q N 1.720 121.501 119.800 -0.032 0.000 2.364 427 Q HA 0.281 4.636 4.340 0.025 0.000 0.267 427 Q C 0.708 176.679 176.000 -0.049 0.000 0.999 427 Q CA -0.568 55.217 55.803 -0.030 0.000 0.886 427 Q CB 0.618 29.340 28.738 -0.026 0.000 1.243 427 Q HN 0.140 nan 8.270 nan 0.000 0.415 428 N N 2.198 120.875 118.700 -0.039 0.000 2.069 428 N HA -0.195 4.560 4.740 0.025 0.000 0.191 428 N C 1.104 176.548 175.510 -0.109 0.000 1.031 428 N CA 1.495 54.514 53.050 -0.053 0.000 0.852 428 N CB 0.072 38.543 38.487 -0.027 0.000 1.018 428 N HN 0.541 nan 8.380 nan 0.000 0.423 429 E N 0.776 120.915 120.200 -0.101 0.000 2.153 429 E HA -0.016 4.349 4.350 0.025 0.000 0.194 429 E C 1.934 178.371 176.600 -0.271 0.000 0.988 429 E CA 1.112 57.423 56.400 -0.148 0.000 0.811 429 E CB -0.212 29.439 29.700 -0.082 0.000 0.746 429 E HN 0.389 nan 8.360 nan 0.000 0.466 430 A N 0.533 123.215 122.820 -0.229 0.000 1.897 430 A HA -0.100 4.235 4.320 0.025 0.000 0.215 430 A C 2.191 179.565 177.584 -0.350 0.000 1.181 430 A CA 0.912 52.753 52.037 -0.327 0.000 0.620 430 A CB -0.495 18.454 19.000 -0.086 0.000 0.821 430 A HN 0.162 nan 8.150 nan 0.000 0.443 431 I N 0.074 120.512 120.570 -0.219 0.000 2.142 431 I HA -0.236 3.949 4.170 0.025 0.000 0.240 431 I C 2.204 178.129 176.117 -0.320 0.000 1.078 431 I CA 0.948 62.139 61.300 -0.182 0.000 1.343 431 I CB -0.337 37.604 38.000 -0.099 0.000 1.046 431 I HN 0.227 nan 8.210 nan 0.000 0.405 432 I N 0.640 120.975 120.570 -0.392 0.000 2.163 432 I HA -0.270 3.916 4.170 0.025 0.000 0.243 432 I C 2.689 178.456 176.117 -0.583 0.000 1.085 432 I CA 1.648 62.617 61.300 -0.552 0.000 1.347 432 I CB -1.304 36.335 38.000 -0.602 0.000 1.044 432 I HN 0.189 nan 8.210 nan 0.000 0.408 433 S N -0.021 115.329 115.700 -0.584 0.000 2.399 433 S HA -0.215 4.270 4.470 0.025 0.000 0.231 433 S C 1.973 176.319 174.600 -0.423 0.000 1.022 433 S CA 1.010 58.832 58.200 -0.630 0.000 0.983 433 S CB -0.534 61.951 63.200 -1.192 0.000 0.803 433 S HN 0.449 nan 8.310 nan 0.000 0.480 434 Y N 2.418 122.408 120.300 -0.516 0.000 2.163 434 Y HA -0.025 4.541 4.550 0.027 0.000 0.288 434 Y C 1.814 177.513 175.900 -0.334 0.000 1.136 434 Y CA 1.093 59.047 58.100 -0.243 0.000 1.147 434 Y CB -0.553 37.788 38.460 -0.198 0.000 0.987 434 Y HN 0.143 nan 8.280 nan 0.000 0.509 435 L N -1.107 119.754 121.223 -0.605 0.000 2.093 435 L HA -0.211 4.144 4.340 0.025 0.000 0.208 435 L C 2.280 178.810 176.870 -0.566 0.000 1.085 435 L CA 1.706 55.954 54.840 -0.988 0.000 0.755 435 L CB -1.037 40.351 42.059 -1.118 0.000 0.904 435 L HN 0.171 nan 8.230 nan 0.000 0.435 436 T N 0.114 114.454 114.554 -0.357 0.000 2.708 436 T HA -0.162 4.203 4.350 0.025 0.000 0.266 436 T C 2.056 176.683 174.700 -0.122 0.000 1.037 436 T CA 1.442 63.447 62.100 -0.158 0.000 1.146 436 T CB -0.212 68.619 68.868 -0.061 0.000 0.865 436 T HN 0.445 nan 8.240 nan 0.000 0.435 437 A N 1.159 123.909 122.820 -0.116 0.000 1.898 437 A HA 0.014 4.349 4.320 0.025 0.000 0.216 437 A C 2.239 179.742 177.584 -0.136 0.000 1.181 437 A CA 1.172 53.175 52.037 -0.057 0.000 0.620 437 A CB -0.838 18.189 19.000 0.045 0.000 0.819 437 A HN 0.381 nan 8.150 nan 0.000 0.442 438 L N -0.145 120.912 121.223 -0.277 0.000 2.012 438 L HA -0.111 4.244 4.340 0.025 0.000 0.210 438 L C 2.704 179.490 176.870 -0.141 0.000 1.073 438 L CA 2.258 56.930 54.840 -0.279 0.000 0.748 438 L CB -0.814 40.920 42.059 -0.542 0.000 0.891 438 L HN 0.357 nan 8.230 nan 0.000 0.431 439 A N -0.774 122.012 122.820 -0.057 0.000 1.898 439 A HA -0.062 4.273 4.320 0.025 0.000 0.216 439 A C 2.424 179.799 177.584 -0.349 0.000 1.181 439 A CA 1.628 53.579 52.037 -0.143 0.000 0.620 439 A CB -1.126 17.836 19.000 -0.062 0.000 0.819 439 A HN 0.541 nan 8.150 nan 0.000 0.442 440 A N -0.695 121.955 122.820 -0.282 0.000 2.019 440 A HA -0.165 4.170 4.320 0.025 0.000 0.219 440 A C 2.056 179.567 177.584 -0.123 0.000 1.164 440 A CA 1.809 53.706 52.037 -0.233 0.000 0.644 440 A CB -0.347 18.648 19.000 -0.009 0.000 0.805 440 A HN 0.521 nan 8.150 nan 0.000 0.449 441 E N 0.160 120.282 120.200 -0.129 0.000 2.112 441 E HA -0.063 4.303 4.350 0.025 0.000 0.190 441 E C 1.892 178.403 176.600 -0.148 0.000 0.979 441 E CA 0.774 57.120 56.400 -0.091 0.000 0.814 441 E CB -0.192 29.474 29.700 -0.057 0.000 0.762 441 E HN 0.665 nan 8.360 nan 0.000 0.460 442 I N 0.652 121.094 120.570 -0.213 0.000 2.252 442 I HA -0.170 4.015 4.170 0.025 0.000 0.245 442 I C 1.923 177.759 176.117 -0.468 0.000 1.102 442 I CA 0.529 61.697 61.300 -0.220 0.000 1.385 442 I CB -0.112 37.739 38.000 -0.248 0.000 1.064 442 I HN -0.128 nan 8.210 nan 0.000 0.414 443 R N 2.824 122.865 120.500 -0.764 0.000 2.605 443 R HA 0.017 4.372 4.340 0.025 0.000 0.271 443 R C -0.304 175.582 176.300 -0.689 0.000 1.418 443 R CA 0.022 55.398 56.100 -1.207 0.000 1.102 443 R CB -0.051 29.606 30.300 -1.071 0.000 1.131 443 R HN 0.141 nan 8.270 nan 0.000 0.554 444 K N 4.660 124.656 120.400 -0.674 0.000 2.480 444 K HA 0.009 4.344 4.320 0.025 0.000 0.241 444 K C -0.671 175.622 176.600 -0.512 0.000 1.261 444 K CA 0.052 55.873 56.287 -0.776 0.000 1.193 444 K CB 0.102 31.990 32.500 -1.019 0.000 1.598 444 K HN 0.682 nan 8.250 nan 0.000 0.278 445 E N -1.721 118.346 120.200 -0.222 0.000 2.429 445 E HA 0.310 4.675 4.350 0.025 0.000 0.277 445 E C -1.323 175.290 176.600 0.021 0.000 1.130 445 E CA -1.103 55.309 56.400 0.019 0.000 0.875 445 E CB 0.733 30.499 29.700 0.110 0.000 1.443 445 E HN -0.072 nan 8.360 nan 0.000 0.444 446 S N -0.183 115.562 115.700 0.075 0.000 2.519 446 S HA 0.703 5.188 4.470 0.025 0.000 0.309 446 S C -1.084 173.653 174.600 0.228 0.000 1.100 446 S CA -0.756 57.489 58.200 0.075 0.000 1.059 446 S CB 1.161 64.395 63.200 0.056 0.000 1.008 446 S HN 0.489 nan 8.310 nan 0.000 0.478 447 R N 1.664 122.355 120.500 0.319 0.000 2.535 447 R HA 0.532 4.887 4.340 0.025 0.000 0.274 447 R C 0.503 177.014 176.300 0.352 0.000 1.090 447 R CA 0.322 56.609 56.100 0.313 0.000 0.930 447 R CB 0.977 31.471 30.300 0.324 0.000 1.223 447 R HN 0.934 nan 8.270 nan 0.000 0.441 448 G N 3.610 112.529 108.800 0.198 0.000 2.596 448 G HA2 -0.471 3.504 3.960 0.025 0.000 0.295 448 G HA3 -0.471 3.504 3.960 0.025 0.000 0.295 448 G C 0.295 175.339 174.900 0.240 0.000 1.240 448 G CA 0.777 45.970 45.100 0.155 0.000 0.985 448 G HN 0.867 nan 8.290 nan 0.000 0.555 449 N N 0.346 119.217 118.700 0.285 0.000 2.571 449 N HA 0.079 4.834 4.740 0.025 0.000 0.189 449 N C 0.756 176.482 175.510 0.359 0.000 1.154 449 N CA 1.510 54.735 53.050 0.291 0.000 0.907 449 N CB -0.047 38.604 38.487 0.274 0.000 0.977 449 N HN 0.925 nan 8.380 nan 0.000 0.449 450 H N -0.307 118.956 119.070 0.321 0.000 2.690 450 H HA 0.391 4.960 4.556 0.021 0.000 0.289 450 H C -1.567 173.888 175.328 0.211 0.000 1.089 450 H CA -1.247 54.912 56.048 0.184 0.000 1.299 450 H CB -0.258 29.526 29.762 0.036 0.000 1.405 450 H HN 0.117 nan 8.280 nan 0.000 0.463 451 F N 5.333 125.091 119.950 -0.320 0.000 2.493 451 F HA 0.523 5.061 4.527 0.018 0.000 0.329 451 F C -0.992 174.604 175.800 -0.340 0.000 1.126 451 F CA -0.771 57.063 58.000 -0.277 0.000 0.937 451 F CB 0.922 39.843 39.000 -0.131 0.000 1.146 451 F HN 0.508 nan 8.300 nan 0.000 0.442 452 R N 5.551 125.434 120.500 -1.028 0.000 2.409 452 R HA 0.192 4.547 4.340 0.025 0.000 0.313 452 R C 0.922 176.654 176.300 -0.948 0.000 0.953 452 R CA -0.468 55.177 56.100 -0.758 0.000 0.849 452 R CB 1.661 31.734 30.300 -0.378 0.000 1.171 452 R HN 0.861 nan 8.270 nan 0.000 0.458 453 E N 2.159 121.931 120.200 -0.713 0.000 2.265 453 E HA -0.211 4.154 4.350 0.025 0.000 0.196 453 E C 0.261 176.647 176.600 -0.357 0.000 0.996 453 E CA 1.464 57.580 56.400 -0.474 0.000 0.832 453 E CB 0.150 29.755 29.700 -0.158 0.000 0.756 453 E HN 0.575 nan 8.360 nan 0.000 0.491 454 D N -0.261 119.942 120.400 -0.329 0.000 2.348 454 D HA -0.135 4.520 4.640 0.025 0.000 0.211 454 D C -0.158 175.764 176.300 -0.631 0.000 0.998 454 D CA 0.262 54.024 54.000 -0.397 0.000 0.873 454 D CB -0.144 40.456 40.800 -0.332 0.000 0.925 454 D HN 0.316 nan 8.370 nan 0.000 0.524 455 Y N 0.122 120.256 120.300 -0.276 0.000 2.529 455 Y HA 0.255 4.819 4.550 0.023 0.000 0.319 455 Y C -1.958 173.731 175.900 -0.353 0.000 1.063 455 Y CA -1.794 56.174 58.100 -0.220 0.000 1.178 455 Y CB 1.759 40.142 38.460 -0.129 0.000 1.123 455 Y HN -0.132 nan 8.280 nan 0.000 0.625 456 P HA -0.102 nan 4.420 nan 0.000 0.234 456 P C -0.467 176.620 177.300 -0.355 0.000 1.167 456 P CA 1.202 63.989 63.100 -0.521 0.000 0.763 456 P CB 0.249 31.578 31.700 -0.618 0.000 0.835 457 Y N -0.196 120.164 120.300 0.101 0.000 2.567 457 Y HA 0.481 5.045 4.550 0.024 0.000 0.333 457 Y C 0.987 176.969 175.900 0.137 0.000 1.106 457 Y CA -1.980 56.193 58.100 0.123 0.000 1.157 457 Y CB 0.852 39.376 38.460 0.107 0.000 1.277 457 Y HN -0.354 nan 8.280 nan 0.000 0.490 458 K N 1.585 122.174 120.400 0.316 0.000 2.276 458 K HA 0.116 4.452 4.320 0.025 0.000 0.283 458 K C -1.046 175.693 176.600 0.232 0.000 1.044 458 K CA -0.387 56.045 56.287 0.241 0.000 0.944 458 K CB 0.479 33.098 32.500 0.198 0.000 1.012 458 K HN 0.630 nan 8.250 nan 0.000 0.472 459 D N 6.067 126.620 120.400 0.254 0.000 2.317 459 D HA 0.136 4.791 4.640 0.025 0.000 0.234 459 D C -1.568 174.855 176.300 0.205 0.000 1.112 459 D CA -2.404 51.744 54.000 0.248 0.000 0.840 459 D CB 1.642 42.658 40.800 0.359 0.000 1.078 459 D HN 0.379 nan 8.370 nan 0.000 0.486 460 P HA -0.111 nan 4.420 nan 0.000 0.222 460 P C 0.627 177.960 177.300 0.054 0.000 1.147 460 P CA 0.555 63.707 63.100 0.088 0.000 0.790 460 P CB 0.541 32.273 31.700 0.054 0.000 0.780 461 N N -1.463 117.246 118.700 0.014 0.000 2.515 461 N HA -0.087 4.668 4.740 0.025 0.000 0.185 461 N C 0.803 176.175 175.510 -0.230 0.000 1.109 461 N CA 0.642 53.616 53.050 -0.126 0.000 0.903 461 N CB -0.460 37.904 38.487 -0.205 0.000 0.969 461 N HN 0.370 nan 8.380 nan 0.000 0.450 462 W N 1.064 122.383 121.300 0.032 0.000 3.194 462 W HA 0.192 4.859 4.660 0.012 0.000 0.408 462 W C 0.558 177.104 176.519 0.045 0.000 1.072 462 W CA -0.556 56.810 57.345 0.034 0.000 1.953 462 W CB 0.314 29.798 29.460 0.040 0.000 1.091 462 W HN -0.063 nan 8.180 nan 0.000 0.699 463 E N 2.760 123.080 120.200 0.201 0.000 2.346 463 E HA 0.040 4.405 4.350 0.025 0.000 0.317 463 E C -0.058 176.617 176.600 0.125 0.000 1.404 463 E CA 0.215 56.704 56.400 0.149 0.000 1.534 463 E CB -0.686 29.066 29.700 0.085 0.000 1.309 463 E HN 0.206 nan 8.360 nan 0.000 0.499 464 K N 0.385 120.904 120.400 0.199 0.000 2.579 464 K HA 0.462 4.797 4.320 0.025 0.000 0.284 464 K C -0.792 175.929 176.600 0.202 0.000 0.990 464 K CA -1.065 55.318 56.287 0.161 0.000 0.880 464 K CB 1.214 33.781 32.500 0.112 0.000 1.488 464 K HN -0.080 nan 8.250 nan 0.000 0.425 465 R N 0.645 121.193 120.500 0.081 0.000 2.543 465 R HA 0.477 4.832 4.340 0.025 0.000 0.268 465 R C -0.298 175.946 176.300 -0.093 0.000 1.067 465 R CA -0.725 55.321 56.100 -0.090 0.000 1.142 465 R CB 0.653 30.685 30.300 -0.447 0.000 1.110 465 R HN 0.489 nan 8.270 nan 0.000 0.549 466 I N 2.415 122.834 120.570 -0.252 0.000 2.390 466 I HA 0.226 4.411 4.170 0.025 0.000 0.283 466 I C -0.966 174.842 176.117 -0.516 0.000 1.016 466 I CA -0.520 60.616 61.300 -0.274 0.000 1.151 466 I CB 0.663 38.407 38.000 -0.426 0.000 1.293 466 I HN 0.371 nan 8.210 nan 0.000 0.458 467 Y N 5.610 125.790 120.300 -0.199 0.000 2.352 467 Y HA 0.518 5.084 4.550 0.027 0.000 0.326 467 Y C -0.315 175.418 175.900 -0.278 0.000 1.166 467 Y CA -0.302 57.697 58.100 -0.168 0.000 1.182 467 Y CB 1.187 39.644 38.460 -0.004 0.000 1.216 467 Y HN 0.281 nan 8.280 nan 0.000 0.474 468 F N 1.814 121.974 119.950 0.349 0.000 2.520 468 F HA 0.554 5.097 4.527 0.027 0.000 0.322 468 F C -0.297 175.775 175.800 0.453 0.000 1.103 468 F CA -1.358 56.840 58.000 0.331 0.000 0.926 468 F CB 2.081 41.171 39.000 0.150 0.000 1.154 468 F HN 0.219 nan 8.300 nan 0.000 0.453 469 K N 3.244 124.007 120.400 0.606 0.000 2.513 469 K HA 0.611 4.946 4.320 0.025 0.000 0.251 469 K C -2.002 174.683 176.600 0.141 0.000 0.939 469 K CA -0.857 55.616 56.287 0.310 0.000 0.793 469 K CB 2.146 34.745 32.500 0.164 0.000 1.241 469 K HN 0.629 nan 8.250 nan 0.000 0.431 470 L N 5.212 126.249 121.223 -0.310 0.000 2.326 470 L HA 0.488 4.843 4.340 0.025 0.000 0.278 470 L C -0.917 175.863 176.870 -0.150 0.000 1.092 470 L CA -0.055 54.568 54.840 -0.362 0.000 0.810 470 L CB 1.415 42.962 42.059 -0.853 0.000 1.153 470 L HN 0.474 nan 8.230 nan 0.000 0.439 471 V N 2.903 122.786 119.914 -0.051 0.000 3.130 471 V HA 0.698 4.833 4.120 0.025 0.000 0.310 471 V C -0.115 175.970 176.094 -0.014 0.000 1.158 471 V CA -0.904 61.382 62.300 -0.024 0.000 1.029 471 V CB 1.427 33.259 31.823 0.015 0.000 1.057 471 V HN 0.569 nan 8.190 nan 0.000 0.436 472 V N 0.000 119.905 119.914 -0.014 0.000 2.409 472 V HA 0.000 4.135 4.120 0.025 0.000 0.244 472 V CA 0.000 62.295 62.300 -0.009 0.000 1.235 472 V CB 0.000 31.815 31.823 -0.013 0.000 1.184 472 V HN 0.000 nan 8.190 nan 0.000 0.556