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 2fug_1_J DATA FIRST_RESID 7 DATA SEQUENCE SGLDPRFERT LYAHVGKEGS WTLDYYLRHG GYETAKRVLK EKTPDEVIEE DATA SEQUENCE VKRSGLRGRG GAGFPTGLKW SFMPKDDGKQ HYLICNADES EPGSFKDRYI DATA SEQUENCE LEDVPHLLIE GMILAGYAIR ATVGYIYVRG EYRRAADRLE QAIKEARARG DATA SEQUENCE YLGKNLFGTD FSFDLHVHRG AGAYICGEET ALMNSLEGLR ANPRLKPPFP DATA SEQUENCE AQSGLWGKPT TINNVETLAS VVPIMERGAD WFAQMGTEQS KGMKLYQISG DATA SEQUENCE PVKRPGVYEL PMGTTFRELI YEWAGGPLEP IQAIIPGGSS TPPLPFTEEV DATA SEQUENCE LDTPMSYEHL QAKGSMLGTG GVILIPERVS MVDAMWNLTR FYAHESCGKC DATA SEQUENCE TPCREGVAGF MVNLFAKIGT GQGEEKDVEN LEALLPLIEG RSFCPLADAA DATA SEQUENCE VWPVKGSLRH FKDQYLALAR EKRPVPRPSL WR 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 7 S HA 0.000 nan 4.470 nan 0.000 0.327 7 S C 0.000 174.630 174.600 0.050 0.000 1.055 7 S CA 0.000 58.210 58.200 0.017 0.000 1.107 7 S CB 0.000 63.199 63.200 -0.003 0.000 0.593 8 G N 2.206 111.035 108.800 0.048 0.000 2.334 8 G HA2 0.417 4.376 3.960 -0.001 0.000 0.261 8 G HA3 0.417 4.376 3.960 -0.001 0.000 0.261 8 G C -0.133 174.850 174.900 0.138 0.000 1.257 8 G CA -0.216 44.913 45.100 0.049 0.000 0.935 8 G HN 0.705 nan 8.290 nan 0.000 0.480 9 L N 2.482 123.764 121.223 0.098 0.000 2.367 9 L HA 0.379 4.719 4.340 -0.001 0.000 0.275 9 L C -0.196 176.590 176.870 -0.139 0.000 1.129 9 L CA -0.292 54.625 54.840 0.128 0.000 0.839 9 L CB 0.939 42.961 42.059 -0.061 0.000 1.133 9 L HN 0.510 nan 8.230 nan 0.000 0.453 10 D N 4.556 124.761 120.400 -0.324 0.000 2.898 10 D HA 0.456 5.095 4.640 -0.001 0.000 0.266 10 D C -2.676 173.325 176.300 -0.498 0.000 1.173 10 D CA -0.679 53.148 54.000 -0.288 0.000 1.078 10 D CB 1.006 41.815 40.800 0.015 0.000 1.326 10 D HN 0.301 nan 8.370 nan 0.000 0.622 11 P HA 0.049 nan 4.420 nan 0.000 0.263 11 P C -0.558 176.747 177.300 0.008 0.000 1.195 11 P CA 0.348 63.394 63.100 -0.090 0.000 0.762 11 P CB 0.199 31.903 31.700 0.007 0.000 0.799 12 R N 1.385 121.951 120.500 0.110 0.000 3.301 12 R HA -0.214 4.126 4.340 -0.001 0.000 0.249 12 R C -0.944 175.518 176.300 0.270 0.000 0.964 12 R CA 1.060 57.344 56.100 0.307 0.000 0.653 12 R CB -2.955 27.619 30.300 0.458 0.000 1.043 12 R HN 0.369 nan 8.270 nan 0.000 0.454 13 F N -2.087 117.950 119.950 0.146 0.000 2.577 13 F HA 0.610 5.136 4.527 -0.001 0.000 0.318 13 F C 1.362 177.227 175.800 0.108 0.000 1.065 13 F CA -1.705 56.358 58.000 0.104 0.000 0.929 13 F CB 1.216 40.252 39.000 0.059 0.000 1.237 13 F HN 0.142 nan 8.300 nan 0.000 0.468 14 E N 1.641 122.129 120.200 0.481 0.000 2.853 14 E HA -0.401 3.948 4.350 -0.001 0.000 0.230 14 E C 0.597 177.409 176.600 0.353 0.000 0.973 14 E CA 2.888 59.485 56.400 0.328 0.000 1.658 14 E CB -0.868 28.937 29.700 0.175 0.000 1.570 14 E HN 0.793 nan 8.360 nan 0.000 0.441 15 R N 1.227 122.027 120.500 0.501 0.000 2.702 15 R HA 0.289 4.628 4.340 -0.001 0.000 0.314 15 R C 1.015 177.442 176.300 0.212 0.000 1.152 15 R CA 0.431 56.739 56.100 0.346 0.000 1.097 15 R CB 0.158 30.674 30.300 0.359 0.000 1.343 15 R HN 0.128 nan 8.270 nan 0.000 0.575 16 T N 1.525 116.157 114.554 0.130 0.000 2.622 16 T HA -0.113 4.236 4.350 -0.001 0.000 0.266 16 T C 0.743 175.525 174.700 0.137 0.000 1.047 16 T CA 0.800 62.893 62.100 -0.012 0.000 1.159 16 T CB -0.191 68.646 68.868 -0.051 0.000 0.863 16 T HN 0.380 nan 8.240 nan 0.000 0.422 17 L N 1.144 122.549 121.223 0.303 0.000 3.295 17 L HA -0.144 4.196 4.340 -0.001 0.000 0.686 17 L C -1.014 176.085 176.870 0.382 0.000 1.088 17 L CA -0.667 54.398 54.840 0.376 0.000 1.255 17 L CB -1.108 41.221 42.059 0.450 0.000 1.713 17 L HN 0.353 nan 8.230 nan 0.000 0.868 18 Y N 0.968 121.353 120.300 0.141 0.000 2.620 18 Y HA 0.161 4.710 4.550 -0.001 0.000 0.330 18 Y C 1.050 177.018 175.900 0.113 0.000 1.186 18 Y CA 0.728 58.893 58.100 0.109 0.000 1.467 18 Y CB 0.823 39.319 38.460 0.060 0.000 1.262 18 Y HN 0.548 nan 8.280 nan 0.000 0.550 19 A N 3.001 125.934 122.820 0.189 0.000 1.969 19 A HA 0.053 4.372 4.320 -0.001 0.000 0.205 19 A C 1.562 179.136 177.584 -0.017 0.000 1.364 19 A CA 0.419 52.496 52.037 0.066 0.000 0.756 19 A CB -0.160 18.896 19.000 0.093 0.000 0.988 19 A HN 0.781 nan 8.150 nan 0.000 0.490 20 H N -0.147 119.018 119.070 0.158 0.000 2.935 20 H HA 0.133 4.689 4.556 -0.001 0.000 0.326 20 H C 0.573 175.969 175.328 0.113 0.000 1.164 20 H CA 0.981 57.102 56.048 0.122 0.000 1.661 20 H CB -0.901 28.914 29.762 0.088 0.000 1.650 20 H HN 0.058 nan 8.280 nan 0.000 0.801 21 V N 2.142 122.211 119.914 0.260 0.000 2.165 21 V HA 0.055 4.174 4.120 -0.001 0.000 0.233 21 V C 1.072 177.249 176.094 0.138 0.000 1.424 21 V CA 1.153 63.540 62.300 0.145 0.000 1.454 21 V CB -0.861 31.003 31.823 0.068 0.000 1.497 21 V HN 0.679 nan 8.190 nan 0.000 0.494 22 G N 3.245 112.134 108.800 0.148 0.000 4.379 22 G HA2 0.306 4.266 3.960 -0.001 0.000 0.290 22 G HA3 0.306 4.266 3.960 -0.001 0.000 0.290 22 G C 0.075 175.031 174.900 0.093 0.000 1.065 22 G CA -0.303 44.872 45.100 0.125 0.000 0.833 22 G HN 0.387 nan 8.290 nan 0.000 0.512 23 K N 0.940 121.395 120.400 0.092 0.000 2.619 23 K HA 0.493 4.812 4.320 -0.001 0.000 0.251 23 K C -1.604 175.026 176.600 0.050 0.000 0.987 23 K CA -0.479 55.867 56.287 0.099 0.000 0.844 23 K CB 2.558 35.165 32.500 0.179 0.000 1.237 23 K HN 0.107 nan 8.250 nan 0.000 0.447 24 E N -0.246 119.957 120.200 0.005 0.000 2.291 24 E HA 0.620 4.970 4.350 -0.001 0.000 0.276 24 E C 0.337 176.895 176.600 -0.070 0.000 0.896 24 E CA -0.165 56.217 56.400 -0.030 0.000 0.774 24 E CB 1.877 31.558 29.700 -0.033 0.000 1.227 24 E HN 0.739 nan 8.360 nan 0.000 0.413 25 G N 0.962 109.686 108.800 -0.128 0.000 3.465 25 G HA2 0.043 4.003 3.960 -0.001 0.000 0.219 25 G HA3 0.043 4.003 3.960 -0.001 0.000 0.219 25 G C 0.243 174.953 174.900 -0.317 0.000 0.984 25 G CA 0.331 45.336 45.100 -0.158 0.000 0.864 25 G HN 0.654 nan 8.290 nan 0.000 0.485 26 S N -1.986 113.355 115.700 -0.598 0.000 2.671 26 S HA 0.555 5.025 4.470 -0.001 0.000 0.270 26 S C -0.853 173.457 174.600 -0.484 0.000 1.166 26 S CA 0.745 58.468 58.200 -0.796 0.000 0.868 26 S CB 0.105 62.664 63.200 -1.067 0.000 1.190 26 S HN 1.514 nan 8.310 nan 0.000 0.494 27 W N -0.284 120.880 121.300 -0.226 0.000 0.718 27 W HA 0.195 4.855 4.660 -0.001 0.000 0.140 27 W C 0.347 176.988 176.519 0.205 0.000 0.622 27 W CA 0.436 57.807 57.345 0.044 0.000 0.413 27 W CB -1.371 28.106 29.460 0.029 0.000 0.684 27 W HN 0.756 nan 8.180 nan 0.000 0.378 28 T N 0.089 114.287 114.554 -0.593 0.000 2.649 28 T HA -0.050 4.300 4.350 -0.001 0.000 0.337 28 T C 1.066 175.752 174.700 -0.022 0.000 1.070 28 T CA 0.513 62.504 62.100 -0.182 0.000 1.052 28 T CB 0.930 69.630 68.868 -0.281 0.000 0.994 28 T HN 0.364 nan 8.240 nan 0.000 0.544 29 L N 0.145 121.299 121.223 -0.115 0.000 2.093 29 L HA -0.074 4.265 4.340 -0.001 0.000 0.208 29 L C 2.219 179.098 176.870 0.015 0.000 1.085 29 L CA 1.885 56.559 54.840 -0.276 0.000 0.755 29 L CB -0.633 41.359 42.059 -0.111 0.000 0.904 29 L HN 0.747 nan 8.230 nan 0.000 0.435 30 D N -1.122 119.301 120.400 0.039 0.000 2.084 30 D HA -0.281 4.358 4.640 -0.001 0.000 0.194 30 D C 1.820 178.176 176.300 0.093 0.000 0.990 30 D CA 1.437 55.473 54.000 0.060 0.000 0.826 30 D CB -0.333 40.490 40.800 0.038 0.000 0.971 30 D HN 0.311 nan 8.370 nan 0.000 0.453 31 Y N -0.462 119.845 120.300 0.011 0.000 2.315 31 Y HA -0.295 4.254 4.550 -0.001 0.000 0.288 31 Y C 1.989 177.994 175.900 0.175 0.000 1.154 31 Y CA 1.250 59.389 58.100 0.066 0.000 1.229 31 Y CB -0.156 38.263 38.460 -0.069 0.000 0.980 31 Y HN 0.054 nan 8.280 nan 0.000 0.540 32 Y N -0.367 119.975 120.300 0.071 0.000 2.176 32 Y HA -0.138 4.411 4.550 -0.001 0.000 0.291 32 Y C 2.076 177.989 175.900 0.023 0.000 1.122 32 Y CA 1.640 59.769 58.100 0.047 0.000 1.128 32 Y CB -0.622 37.864 38.460 0.044 0.000 1.005 32 Y HN 0.058 nan 8.280 nan 0.000 0.509 33 L N -0.304 120.943 121.223 0.041 0.000 2.046 33 L HA -0.228 4.111 4.340 -0.001 0.000 0.208 33 L C 2.586 179.393 176.870 -0.106 0.000 1.077 33 L CA 1.575 56.386 54.840 -0.048 0.000 0.747 33 L CB -0.541 41.553 42.059 0.057 0.000 0.896 33 L HN 0.070 nan 8.230 nan 0.000 0.432 34 R N -0.674 119.773 120.500 -0.087 0.000 2.211 34 R HA -0.176 4.163 4.340 -0.001 0.000 0.240 34 R C 0.495 176.568 176.300 -0.378 0.000 1.144 34 R CA 1.192 57.175 56.100 -0.194 0.000 0.992 34 R CB -0.101 30.091 30.300 -0.179 0.000 0.869 34 R HN 0.433 nan 8.270 nan 0.000 0.462 35 H N -1.865 117.017 119.070 -0.314 0.000 2.507 35 H HA 0.286 4.841 4.556 -0.001 0.000 0.271 35 H C 0.332 175.473 175.328 -0.312 0.000 1.224 35 H CA 0.340 56.202 56.048 -0.309 0.000 1.000 35 H CB 0.988 30.534 29.762 -0.359 0.000 1.663 35 H HN 0.326 nan 8.280 nan 0.000 0.548 36 G N 0.198 108.868 108.800 -0.216 0.000 2.149 36 G HA2 -0.250 3.709 3.960 -0.001 0.000 0.235 36 G HA3 -0.250 3.709 3.960 -0.001 0.000 0.235 36 G C 1.154 175.850 174.900 -0.339 0.000 1.018 36 G CA 0.174 45.137 45.100 -0.229 0.000 0.728 36 G HN 0.862 nan 8.290 nan 0.000 0.508 37 G N -0.067 108.498 108.800 -0.392 0.000 3.208 37 G HA2 -0.164 3.795 3.960 -0.001 0.000 1.016 37 G HA3 -0.164 3.795 3.960 -0.001 0.000 1.016 37 G C 0.727 175.423 174.900 -0.341 0.000 1.026 37 G CA 0.946 45.763 45.100 -0.471 0.000 0.854 37 G HN 0.741 nan 8.290 nan 0.000 1.121 38 Y N 1.159 121.345 120.300 -0.189 0.000 2.487 38 Y HA 0.153 4.702 4.550 -0.001 0.000 0.339 38 Y C 2.322 178.171 175.900 -0.086 0.000 1.191 38 Y CA 0.655 58.724 58.100 -0.052 0.000 1.279 38 Y CB -0.272 38.064 38.460 -0.206 0.000 1.122 38 Y HN 0.646 nan 8.280 nan 0.000 0.500 39 E N -0.435 119.755 120.200 -0.018 0.000 2.153 39 E HA -0.166 4.183 4.350 -0.001 0.000 0.194 39 E C 1.563 178.105 176.600 -0.097 0.000 0.988 39 E CA 1.514 57.878 56.400 -0.061 0.000 0.811 39 E CB 0.284 29.936 29.700 -0.081 0.000 0.746 39 E HN 0.405 nan 8.360 nan 0.000 0.466 40 T N 0.400 114.906 114.554 -0.081 0.000 2.777 40 T HA -0.113 4.236 4.350 -0.001 0.000 0.266 40 T C 1.839 176.483 174.700 -0.093 0.000 1.040 40 T CA 1.145 63.195 62.100 -0.084 0.000 1.141 40 T CB -0.220 68.612 68.868 -0.062 0.000 0.868 40 T HN 0.289 nan 8.240 nan 0.000 0.444 41 A N 1.703 124.498 122.820 -0.042 0.000 1.908 41 A HA -0.182 4.138 4.320 -0.001 0.000 0.218 41 A C 2.191 179.606 177.584 -0.281 0.000 1.181 41 A CA 2.191 54.209 52.037 -0.031 0.000 0.627 41 A CB -0.605 18.520 19.000 0.208 0.000 0.818 41 A HN 0.506 nan 8.150 nan 0.000 0.445 42 K N -0.391 119.730 120.400 -0.464 0.000 2.001 42 K HA -0.223 4.096 4.320 -0.001 0.000 0.214 42 K C 2.316 178.607 176.600 -0.515 0.000 1.050 42 K CA 1.781 57.527 56.287 -0.902 0.000 0.934 42 K CB -0.234 31.905 32.500 -0.602 0.000 0.718 42 K HN 0.492 nan 8.250 nan 0.000 0.443 43 R N 0.194 120.518 120.500 -0.292 0.000 2.113 43 R HA -0.169 4.170 4.340 -0.001 0.000 0.231 43 R C 2.340 178.530 176.300 -0.184 0.000 1.129 43 R CA 2.069 58.053 56.100 -0.193 0.000 0.915 43 R CB -1.064 29.159 30.300 -0.129 0.000 0.837 43 R HN 0.062 nan 8.270 nan 0.000 0.430 44 V N 1.974 121.793 119.914 -0.158 0.000 2.236 44 V HA -0.318 3.801 4.120 -0.001 0.000 0.255 44 V C 2.445 178.407 176.094 -0.220 0.000 1.068 44 V CA 2.208 64.433 62.300 -0.125 0.000 1.044 44 V CB -0.722 31.050 31.823 -0.085 0.000 0.653 44 V HN 0.328 nan 8.190 nan 0.000 0.448 45 L N -1.071 119.915 121.223 -0.395 0.000 2.187 45 L HA -0.206 4.133 4.340 -0.001 0.000 0.213 45 L C 2.549 179.198 176.870 -0.369 0.000 1.100 45 L CA 1.659 56.110 54.840 -0.648 0.000 0.765 45 L CB -0.511 41.251 42.059 -0.496 0.000 0.904 45 L HN 0.365 nan 8.230 nan 0.000 0.437 46 K N -0.578 119.681 120.400 -0.234 0.000 2.141 46 K HA -0.023 4.297 4.320 -0.001 0.000 0.202 46 K C 1.941 178.503 176.600 -0.065 0.000 1.045 46 K CA 0.774 56.988 56.287 -0.121 0.000 0.971 46 K CB 0.174 32.604 32.500 -0.117 0.000 0.795 46 K HN 0.297 nan 8.250 nan 0.000 0.459 47 E N 0.692 120.852 120.200 -0.066 0.000 2.057 47 E HA -0.014 4.335 4.350 -0.001 0.000 0.190 47 E C 0.178 176.781 176.600 0.006 0.000 0.969 47 E CA 0.623 57.006 56.400 -0.027 0.000 0.812 47 E CB 0.260 29.939 29.700 -0.035 0.000 0.777 47 E HN -0.080 nan 8.360 nan 0.000 0.455 48 K N 1.630 122.041 120.400 0.019 0.000 2.144 48 K HA 0.128 4.448 4.320 -0.001 0.000 0.270 48 K C 0.013 176.703 176.600 0.151 0.000 1.005 48 K CA -0.162 56.164 56.287 0.064 0.000 0.932 48 K CB 1.329 33.865 32.500 0.060 0.000 1.021 48 K HN 0.079 nan 8.250 nan 0.000 0.462 49 T N -0.662 113.950 114.554 0.097 0.000 2.824 49 T HA 0.286 4.635 4.350 -0.001 0.000 0.277 49 T C -1.778 172.878 174.700 -0.073 0.000 0.975 49 T CA -1.706 60.429 62.100 0.059 0.000 0.966 49 T CB 0.974 69.843 68.868 0.001 0.000 1.054 49 T HN 0.214 nan 8.240 nan 0.000 0.533 50 P HA -0.082 nan 4.420 nan 0.000 0.210 50 P C 1.361 178.542 177.300 -0.198 0.000 1.189 50 P CA 1.100 63.872 63.100 -0.548 0.000 0.920 50 P CB -0.083 31.276 31.700 -0.569 0.000 0.782 51 D N -0.101 120.226 120.400 -0.123 0.000 2.154 51 D HA -0.239 4.400 4.640 -0.001 0.000 0.190 51 D C 1.834 178.123 176.300 -0.018 0.000 1.003 51 D CA 1.381 55.354 54.000 -0.046 0.000 0.849 51 D CB -0.658 40.122 40.800 -0.033 0.000 0.942 51 D HN 0.356 nan 8.370 nan 0.000 0.446 52 E N 0.233 120.423 120.200 -0.017 0.000 2.136 52 E HA -0.192 4.157 4.350 -0.001 0.000 0.202 52 E C 2.219 178.828 176.600 0.017 0.000 1.019 52 E CA 0.812 57.214 56.400 0.003 0.000 0.819 52 E CB -0.161 29.547 29.700 0.012 0.000 0.739 52 E HN 0.063 nan 8.360 nan 0.000 0.458 53 V N 1.012 120.946 119.914 0.033 0.000 2.490 53 V HA -0.229 3.890 4.120 -0.001 0.000 0.250 53 V C 1.986 178.132 176.094 0.087 0.000 1.061 53 V CA 1.342 63.685 62.300 0.072 0.000 1.064 53 V CB -0.197 31.694 31.823 0.114 0.000 0.670 53 V HN 0.252 nan 8.190 nan 0.000 0.461 54 I N -0.501 120.125 120.570 0.092 0.000 2.133 54 I HA -0.157 4.013 4.170 -0.001 0.000 0.238 54 I C 2.541 178.642 176.117 -0.026 0.000 1.074 54 I CA 1.419 62.770 61.300 0.085 0.000 1.342 54 I CB -0.622 37.434 38.000 0.095 0.000 1.053 54 I HN 0.267 nan 8.210 nan 0.000 0.404 55 E N 0.614 120.803 120.200 -0.019 0.000 2.233 55 E HA -0.299 4.050 4.350 -0.001 0.000 0.199 55 E C 1.886 178.462 176.600 -0.041 0.000 1.004 55 E CA 1.382 57.761 56.400 -0.035 0.000 0.819 55 E CB -0.301 29.387 29.700 -0.020 0.000 0.738 55 E HN 0.444 nan 8.360 nan 0.000 0.478 56 E N 0.246 120.428 120.200 -0.030 0.000 2.158 56 E HA -0.066 4.284 4.350 -0.001 0.000 0.191 56 E C 1.891 178.447 176.600 -0.073 0.000 0.982 56 E CA 0.448 56.830 56.400 -0.031 0.000 0.823 56 E CB 0.199 29.893 29.700 -0.009 0.000 0.766 56 E HN 0.046 nan 8.360 nan 0.000 0.468 57 V N 0.425 120.263 119.914 -0.126 0.000 2.825 57 V HA -0.014 4.105 4.120 -0.001 0.000 0.246 57 V C 2.275 178.238 176.094 -0.218 0.000 1.068 57 V CA 1.319 63.483 62.300 -0.228 0.000 1.088 57 V CB -0.308 31.271 31.823 -0.406 0.000 0.733 57 V HN 0.209 nan 8.190 nan 0.000 0.468 58 K N 0.743 121.029 120.400 -0.190 0.000 2.147 58 K HA -0.178 4.142 4.320 -0.001 0.000 0.205 58 K C 2.294 178.832 176.600 -0.104 0.000 1.049 58 K CA 1.388 57.577 56.287 -0.164 0.000 0.936 58 K CB -0.049 32.368 32.500 -0.139 0.000 0.722 58 K HN 0.306 nan 8.250 nan 0.000 0.446 59 R N 0.384 120.839 120.500 -0.075 0.000 2.153 59 R HA -0.045 4.295 4.340 -0.001 0.000 0.218 59 R C 2.187 178.486 176.300 -0.002 0.000 1.072 59 R CA 1.297 57.376 56.100 -0.035 0.000 0.990 59 R CB 0.001 30.288 30.300 -0.021 0.000 0.889 59 R HN 0.295 nan 8.270 nan 0.000 0.452 60 S N -0.896 114.800 115.700 -0.007 0.000 2.402 60 S HA 0.010 4.479 4.470 -0.001 0.000 0.229 60 S C 1.335 176.071 174.600 0.227 0.000 1.021 60 S CA 0.791 59.055 58.200 0.106 0.000 0.974 60 S CB -0.037 63.111 63.200 -0.087 0.000 0.800 60 S HN 0.500 nan 8.310 nan 0.000 0.484 61 G N 0.671 109.514 108.800 0.070 0.000 2.171 61 G HA2 -0.181 3.779 3.960 -0.001 0.000 0.238 61 G HA3 -0.181 3.779 3.960 -0.001 0.000 0.238 61 G C -0.367 174.590 174.900 0.094 0.000 1.039 61 G CA 0.090 45.211 45.100 0.035 0.000 0.759 61 G HN 0.771 nan 8.290 nan 0.000 0.501 62 L N 0.898 122.171 121.223 0.083 0.000 2.290 62 L HA 0.769 5.108 4.340 -0.001 0.000 0.284 62 L C 0.604 177.429 176.870 -0.076 0.000 1.078 62 L CA -0.797 54.094 54.840 0.085 0.000 0.815 62 L CB 0.444 42.464 42.059 -0.065 0.000 1.162 62 L HN 0.288 nan 8.230 nan 0.000 0.435 63 R N 3.742 124.172 120.500 -0.115 0.000 2.532 63 R HA 0.566 4.906 4.340 -0.001 0.000 0.295 63 R C 0.015 176.288 176.300 -0.046 0.000 0.968 63 R CA -0.670 55.315 56.100 -0.191 0.000 0.916 63 R CB 1.132 31.093 30.300 -0.564 0.000 1.124 63 R HN 0.895 nan 8.270 nan 0.000 0.463 64 G N 2.043 110.874 108.800 0.052 0.000 2.202 64 G HA2 -0.108 3.851 3.960 -0.001 0.000 0.251 64 G HA3 -0.108 3.851 3.960 -0.001 0.000 0.251 64 G C 0.473 175.469 174.900 0.160 0.000 1.219 64 G CA -0.313 44.859 45.100 0.120 0.000 0.943 64 G HN 0.425 nan 8.290 nan 0.000 0.465 65 R N 2.700 123.278 120.500 0.131 0.000 2.346 65 R HA 0.036 4.375 4.340 -0.001 0.000 0.225 65 R C 2.027 178.387 176.300 0.099 0.000 0.987 65 R CA 0.356 56.529 56.100 0.123 0.000 1.106 65 R CB -0.043 30.293 30.300 0.059 0.000 1.090 65 R HN 0.584 nan 8.270 nan 0.000 0.502 66 G N -0.471 108.400 108.800 0.118 0.000 2.623 66 G HA2 0.099 4.058 3.960 -0.001 0.000 0.214 66 G HA3 0.099 4.058 3.960 -0.001 0.000 0.214 66 G C 0.995 175.963 174.900 0.114 0.000 1.138 66 G CA 0.724 45.884 45.100 0.099 0.000 0.794 66 G HN 0.456 nan 8.290 nan 0.000 0.535 67 G N -0.729 108.158 108.800 0.144 0.000 2.617 67 G HA2 0.029 3.988 3.960 -0.001 0.000 0.197 67 G HA3 0.029 3.988 3.960 -0.001 0.000 0.197 67 G C 1.454 176.461 174.900 0.179 0.000 1.017 67 G CA 0.934 46.117 45.100 0.139 0.000 0.713 67 G HN 0.949 nan 8.290 nan 0.000 0.481 68 A N 0.472 123.411 122.820 0.198 0.000 1.835 68 A HA 0.452 4.771 4.320 -0.001 0.000 0.215 68 A C 2.649 180.409 177.584 0.293 0.000 1.199 68 A CA 3.186 55.357 52.037 0.222 0.000 0.615 68 A CB -0.942 18.184 19.000 0.210 0.000 0.838 68 A HN 2.528 nan 8.150 nan 0.000 0.444 69 G N -2.435 106.557 108.800 0.319 0.000 2.288 69 G HA2 -0.117 3.843 3.960 -0.001 0.000 0.205 69 G HA3 -0.117 3.843 3.960 -0.001 0.000 0.205 69 G C -0.206 174.760 174.900 0.110 0.000 1.071 69 G CA 0.012 45.296 45.100 0.306 0.000 0.788 69 G HN 0.849 nan 8.290 nan 0.000 0.491 70 F N 1.068 121.030 119.950 0.020 0.000 2.404 70 F HA 0.646 5.172 4.527 -0.001 0.000 0.339 70 F C -1.968 173.792 175.800 -0.068 0.000 1.105 70 F CA -2.852 55.145 58.000 -0.004 0.000 1.087 70 F CB 1.567 40.594 39.000 0.045 0.000 1.143 70 F HN -0.049 nan 8.300 nan 0.000 0.491 71 P HA -0.034 nan 4.420 nan 0.000 0.252 71 P C 0.763 178.093 177.300 0.049 0.000 1.183 71 P CA 0.645 63.638 63.100 -0.179 0.000 0.973 71 P CB -0.060 31.427 31.700 -0.356 0.000 0.990 72 T N 0.095 114.622 114.554 -0.045 0.000 2.778 72 T HA -0.211 4.139 4.350 -0.001 0.000 0.269 72 T C 2.065 176.420 174.700 -0.576 0.000 1.050 72 T CA 1.545 63.509 62.100 -0.227 0.000 1.137 72 T CB -1.162 67.523 68.868 -0.305 0.000 0.860 72 T HN 0.343 nan 8.240 nan 0.000 0.468 73 G N 1.943 110.458 108.800 -0.475 0.000 2.545 73 G HA2 -0.162 3.798 3.960 -0.001 0.000 0.217 73 G HA3 -0.162 3.798 3.960 -0.001 0.000 0.217 73 G C 1.424 176.116 174.900 -0.348 0.000 1.218 73 G CA 1.047 45.856 45.100 -0.486 0.000 0.787 73 G HN 0.487 nan 8.290 nan 0.000 0.571 74 L N 1.085 122.172 121.223 -0.227 0.000 2.043 74 L HA -0.067 4.272 4.340 -0.001 0.000 0.212 74 L C 2.677 179.340 176.870 -0.344 0.000 1.075 74 L CA 2.703 57.393 54.840 -0.251 0.000 0.752 74 L CB -0.657 41.336 42.059 -0.111 0.000 0.891 74 L HN 0.334 nan 8.230 nan 0.000 0.432 75 K N -1.588 118.796 120.400 -0.027 0.000 2.113 75 K HA -0.243 4.076 4.320 -0.001 0.000 0.208 75 K C 1.824 178.517 176.600 0.155 0.000 1.047 75 K CA 2.000 58.311 56.287 0.040 0.000 0.928 75 K CB -0.318 32.237 32.500 0.091 0.000 0.716 75 K HN 0.440 nan 8.250 nan 0.000 0.446 76 W N 0.533 121.766 121.300 -0.110 0.000 2.518 76 W HA 0.041 4.701 4.660 -0.001 0.000 0.273 76 W C 2.379 178.816 176.519 -0.136 0.000 1.247 76 W CA 0.838 58.134 57.345 -0.081 0.000 1.288 76 W CB -1.058 28.368 29.460 -0.057 0.000 1.107 76 W HN 0.217 nan 8.180 nan 0.000 0.586 77 S N -0.326 115.324 115.700 -0.084 0.000 2.500 77 S HA -0.178 4.291 4.470 -0.001 0.000 0.239 77 S C 1.586 176.095 174.600 -0.152 0.000 0.989 77 S CA 0.867 58.960 58.200 -0.178 0.000 0.951 77 S CB -0.943 62.064 63.200 -0.321 0.000 0.759 77 S HN 0.049 nan 8.310 nan 0.000 0.523 78 F N 1.369 121.354 119.950 0.059 0.000 2.512 78 F HA 0.415 4.941 4.527 -0.001 0.000 0.296 78 F C 1.489 177.291 175.800 0.002 0.000 1.110 78 F CA -0.527 57.476 58.000 0.005 0.000 1.446 78 F CB -0.663 38.303 39.000 -0.055 0.000 1.092 78 F HN 0.163 nan 8.300 nan 0.000 0.554 79 M N 1.016 120.717 119.600 0.169 0.000 2.250 79 M HA 0.095 4.574 4.480 -0.001 0.000 0.325 79 M C -1.824 174.516 176.300 0.067 0.000 1.084 79 M CA -1.584 53.756 55.300 0.067 0.000 1.161 79 M CB -0.591 32.026 32.600 0.027 0.000 1.481 79 M HN -0.202 nan 8.290 nan 0.000 0.449 80 P HA 0.075 nan 4.420 nan 0.000 0.271 80 P C 0.175 177.570 177.300 0.158 0.000 1.244 80 P CA -0.090 63.071 63.100 0.102 0.000 0.793 80 P CB 0.619 32.388 31.700 0.114 0.000 0.984 81 K N 0.676 121.154 120.400 0.130 0.000 2.467 81 K HA 0.137 4.457 4.320 -0.001 0.000 0.231 81 K C -0.421 176.235 176.600 0.092 0.000 1.065 81 K CA 0.514 56.857 56.287 0.094 0.000 1.004 81 K CB -0.855 31.681 32.500 0.060 0.000 1.309 81 K HN 0.426 nan 8.250 nan 0.000 0.462 82 D N 1.138 121.581 120.400 0.071 0.000 2.381 82 D HA 0.249 4.888 4.640 -0.001 0.000 0.235 82 D C -0.500 175.841 176.300 0.069 0.000 1.068 82 D CA -0.703 53.328 54.000 0.052 0.000 0.832 82 D CB 1.485 42.305 40.800 0.033 0.000 1.101 82 D HN 0.446 nan 8.370 nan 0.000 0.515 83 D N 1.017 121.460 120.400 0.073 0.000 2.319 83 D HA 0.076 4.715 4.640 -0.001 0.000 0.406 83 D C 1.388 177.729 176.300 0.068 0.000 1.087 83 D CA 0.063 54.116 54.000 0.088 0.000 0.945 83 D CB -0.410 40.476 40.800 0.143 0.000 1.430 83 D HN 0.735 nan 8.370 nan 0.000 0.487 84 G N 1.654 110.469 108.800 0.026 0.000 2.168 84 G HA2 -0.326 3.634 3.960 -0.001 0.000 0.257 84 G HA3 -0.326 3.634 3.960 -0.001 0.000 0.257 84 G C 0.043 174.955 174.900 0.019 0.000 0.997 84 G CA 0.661 45.761 45.100 0.000 0.000 0.708 84 G HN 0.429 nan 8.290 nan 0.000 0.520 85 K N -0.329 120.113 120.400 0.070 0.000 2.098 85 K HA 0.450 4.769 4.320 -0.001 0.000 0.261 85 K C 0.465 177.149 176.600 0.140 0.000 0.987 85 K CA -0.774 55.608 56.287 0.158 0.000 0.916 85 K CB 0.817 33.485 32.500 0.280 0.000 1.039 85 K HN 0.139 nan 8.250 nan 0.000 0.455 86 Q N 2.678 122.583 119.800 0.175 0.000 2.286 86 Q HA 0.007 4.346 4.340 -0.001 0.000 0.267 86 Q C -1.190 174.987 176.000 0.294 0.000 1.028 86 Q CA 0.815 56.678 55.803 0.100 0.000 0.901 86 Q CB 0.186 28.967 28.738 0.072 0.000 1.183 86 Q HN 0.457 nan 8.270 nan 0.000 0.392 87 H N 3.796 122.871 119.070 0.008 0.000 2.467 87 H HA 0.295 4.850 4.556 -0.001 0.000 0.326 87 H C -0.970 174.394 175.328 0.061 0.000 1.094 87 H CA -0.827 55.286 56.048 0.108 0.000 1.253 87 H CB 0.865 30.680 29.762 0.088 0.000 1.439 87 H HN 0.590 nan 8.280 nan 0.000 0.479 88 Y N 1.870 122.342 120.300 0.287 0.000 2.409 88 Y HA 0.246 4.795 4.550 -0.001 0.000 0.339 88 Y C -0.338 175.695 175.900 0.222 0.000 1.033 88 Y CA -1.008 57.272 58.100 0.299 0.000 1.094 88 Y CB 1.437 40.087 38.460 0.317 0.000 1.210 88 Y HN 0.408 nan 8.280 nan 0.000 0.456 89 L N 4.472 125.939 121.223 0.406 0.000 2.341 89 L HA 0.729 5.068 4.340 -0.001 0.000 0.278 89 L C -1.427 175.630 176.870 0.311 0.000 1.005 89 L CA -0.516 54.486 54.840 0.270 0.000 0.818 89 L CB 0.881 43.078 42.059 0.231 0.000 1.259 89 L HN 0.562 nan 8.230 nan 0.000 0.418 90 I N 4.618 125.320 120.570 0.220 0.000 2.465 90 I HA 0.327 4.496 4.170 -0.001 0.000 0.291 90 I C -0.917 175.301 176.117 0.170 0.000 1.014 90 I CA -0.640 60.789 61.300 0.214 0.000 1.093 90 I CB 1.935 40.014 38.000 0.132 0.000 1.267 90 I HN 0.657 nan 8.210 nan 0.000 0.431 91 C N 6.328 125.739 119.300 0.184 0.000 2.239 91 C HA 0.235 4.694 4.460 -0.001 0.000 0.325 91 C C 0.630 175.704 174.990 0.139 0.000 1.231 91 C CA -0.574 58.536 59.018 0.153 0.000 1.652 91 C CB -0.650 27.181 27.740 0.152 0.000 2.284 91 C HN 0.866 nan 8.230 nan 0.000 0.499 92 N N 4.333 123.091 118.700 0.096 0.000 2.549 92 N HA 0.247 4.986 4.740 -0.001 0.000 0.267 92 N C 0.616 176.175 175.510 0.082 0.000 1.182 92 N CA -0.014 53.071 53.050 0.057 0.000 1.019 92 N CB 0.397 38.888 38.487 0.006 0.000 1.380 92 N HN 0.870 nan 8.380 nan 0.000 0.505 93 A N 2.829 125.730 122.820 0.135 0.000 2.684 93 A HA 0.051 4.371 4.320 -0.001 0.000 0.288 93 A C 0.929 178.591 177.584 0.130 0.000 1.337 93 A CA -0.402 51.719 52.037 0.140 0.000 0.946 93 A CB 0.040 19.136 19.000 0.160 0.000 1.093 93 A HN 0.722 nan 8.150 nan 0.000 0.543 94 D N 0.529 120.984 120.400 0.092 0.000 2.349 94 D HA -0.089 4.550 4.640 -0.001 0.000 0.224 94 D C 0.765 177.040 176.300 -0.041 0.000 1.029 94 D CA -0.014 54.016 54.000 0.050 0.000 0.879 94 D CB -0.288 40.477 40.800 -0.057 0.000 0.906 94 D HN 0.560 nan 8.370 nan 0.000 0.528 95 E N 0.092 120.287 120.200 -0.007 0.000 3.437 95 E HA -0.195 4.154 4.350 -0.001 0.000 0.262 95 E C -0.296 176.294 176.600 -0.017 0.000 0.837 95 E CA 0.274 56.689 56.400 0.026 0.000 0.999 95 E CB -0.292 29.473 29.700 0.108 0.000 0.798 95 E HN 0.100 nan 8.360 nan 0.000 0.535 96 S N 3.222 118.976 115.700 0.089 0.000 2.787 96 S HA 0.026 4.496 4.470 -0.001 0.000 0.255 96 S C -0.038 174.779 174.600 0.363 0.000 1.051 96 S CA -0.482 57.829 58.200 0.184 0.000 1.124 96 S CB 0.515 63.859 63.200 0.239 0.000 1.104 96 S HN 0.590 nan 8.310 nan 0.000 0.623 97 E N 3.254 123.678 120.200 0.372 0.000 2.217 97 E HA 0.168 4.517 4.350 -0.001 0.000 0.279 97 E C -2.725 173.908 176.600 0.055 0.000 1.068 97 E CA -2.418 54.182 56.400 0.334 0.000 0.882 97 E CB 0.515 30.463 29.700 0.413 0.000 1.039 97 E HN 0.001 nan 8.360 nan 0.000 0.418 98 P HA -0.088 nan 4.420 nan 0.000 0.257 98 P C 0.384 177.637 177.300 -0.078 0.000 1.162 98 P CA 1.405 64.331 63.100 -0.290 0.000 0.762 98 P CB 0.456 31.748 31.700 -0.679 0.000 0.753 99 G N 1.955 110.764 108.800 0.015 0.000 2.232 99 G HA2 -0.232 3.728 3.960 -0.001 0.000 0.226 99 G HA3 -0.232 3.728 3.960 -0.001 0.000 0.226 99 G C 0.387 175.484 174.900 0.330 0.000 0.996 99 G CA 0.159 45.344 45.100 0.142 0.000 0.626 99 G HN 0.777 nan 8.290 nan 0.000 0.509 100 S N 0.379 116.244 115.700 0.274 0.000 2.457 100 S HA 0.719 5.188 4.470 -0.001 0.000 0.289 100 S C -0.088 174.767 174.600 0.425 0.000 1.163 100 S CA 0.136 58.501 58.200 0.275 0.000 1.078 100 S CB 0.439 63.739 63.200 0.166 0.000 0.987 100 S HN 1.480 nan 8.310 nan 0.000 0.482 101 F N 3.292 123.296 119.950 0.091 0.000 2.438 101 F HA 0.380 4.906 4.527 -0.001 0.000 0.381 101 F C 0.416 176.261 175.800 0.074 0.000 1.448 101 F CA -0.907 57.148 58.000 0.093 0.000 1.070 101 F CB -0.814 38.237 39.000 0.086 0.000 1.432 101 F HN 0.596 nan 8.300 nan 0.000 0.504 102 K N -0.537 119.782 120.400 -0.135 0.000 2.128 102 K HA 0.062 4.382 4.320 -0.001 0.000 0.202 102 K C 0.514 177.094 176.600 -0.034 0.000 1.050 102 K CA 1.195 57.400 56.287 -0.137 0.000 0.966 102 K CB -0.190 32.217 32.500 -0.155 0.000 0.759 102 K HN 0.119 nan 8.250 nan 0.000 0.454 103 D N 1.537 121.942 120.400 0.008 0.000 2.219 103 D HA -0.134 4.505 4.640 -0.001 0.000 0.205 103 D C 1.971 178.263 176.300 -0.014 0.000 0.970 103 D CA 0.737 54.755 54.000 0.028 0.000 0.851 103 D CB -0.116 40.738 40.800 0.089 0.000 0.943 103 D HN 0.272 nan 8.370 nan 0.000 0.488 104 R N 0.243 120.681 120.500 -0.103 0.000 2.122 104 R HA -0.244 4.095 4.340 -0.001 0.000 0.236 104 R C 2.148 178.127 176.300 -0.534 0.000 1.129 104 R CA 1.686 57.449 56.100 -0.561 0.000 0.925 104 R CB -0.448 29.302 30.300 -0.917 0.000 0.850 104 R HN 0.159 nan 8.270 nan 0.000 0.431 105 Y N 0.288 120.517 120.300 -0.119 0.000 2.293 105 Y HA -0.083 4.466 4.550 -0.001 0.000 0.291 105 Y C 2.204 178.061 175.900 -0.072 0.000 1.137 105 Y CA 0.955 58.994 58.100 -0.101 0.000 1.202 105 Y CB -0.288 38.133 38.460 -0.066 0.000 0.990 105 Y HN 0.129 nan 8.280 nan 0.000 0.537 106 I N -0.530 120.078 120.570 0.064 0.000 2.264 106 I HA -0.329 3.840 4.170 -0.001 0.000 0.248 106 I C 2.018 178.143 176.117 0.012 0.000 1.111 106 I CA 1.354 62.681 61.300 0.045 0.000 1.382 106 I CB -0.341 37.666 38.000 0.013 0.000 1.060 106 I HN 0.240 nan 8.210 nan 0.000 0.418 107 L N -0.052 121.154 121.223 -0.029 0.000 2.023 107 L HA -0.190 4.149 4.340 -0.001 0.000 0.205 107 L C 2.382 179.191 176.870 -0.101 0.000 1.073 107 L CA 1.462 56.270 54.840 -0.053 0.000 0.745 107 L CB -0.732 41.298 42.059 -0.048 0.000 0.900 107 L HN 0.188 nan 8.230 nan 0.000 0.435 108 E N -0.031 120.082 120.200 -0.145 0.000 2.267 108 E HA -0.212 4.137 4.350 -0.001 0.000 0.197 108 E C 0.735 177.190 176.600 -0.241 0.000 0.998 108 E CA 1.269 57.540 56.400 -0.214 0.000 0.830 108 E CB 0.101 29.695 29.700 -0.177 0.000 0.751 108 E HN 0.499 nan 8.360 nan 0.000 0.491 109 D N -1.605 118.759 120.400 -0.059 0.000 2.514 109 D HA -0.002 4.637 4.640 -0.001 0.000 0.225 109 D C 0.390 176.814 176.300 0.206 0.000 1.159 109 D CA 0.237 54.271 54.000 0.056 0.000 0.823 109 D CB 1.593 42.447 40.800 0.089 0.000 1.097 109 D HN 0.089 nan 8.370 nan 0.000 0.519 110 V N -3.269 116.732 119.914 0.144 0.000 3.187 110 V HA 0.357 4.477 4.120 -0.001 0.000 0.402 110 V C -2.213 173.918 176.094 0.062 0.000 1.457 110 V CA -1.042 61.360 62.300 0.170 0.000 1.409 110 V CB 0.967 32.888 31.823 0.163 0.000 1.218 110 V HN -0.258 nan 8.190 nan 0.000 0.595 111 P HA -0.258 nan 4.420 nan 0.000 0.216 111 P C 1.276 178.471 177.300 -0.176 0.000 1.151 111 P CA 2.893 65.945 63.100 -0.080 0.000 0.953 111 P CB -0.087 31.539 31.700 -0.124 0.000 0.789 112 H N -1.605 117.367 119.070 -0.164 0.000 2.368 112 H HA -0.197 4.359 4.556 -0.001 0.000 0.292 112 H C 1.875 176.815 175.328 -0.646 0.000 1.117 112 H CA 1.613 57.436 56.048 -0.375 0.000 1.231 112 H CB -1.296 28.134 29.762 -0.553 0.000 1.359 112 H HN 0.046 nan 8.280 nan 0.000 0.490 113 L N 0.485 121.358 121.223 -0.583 0.000 1.976 113 L HA -0.232 4.107 4.340 -0.001 0.000 0.223 113 L C 2.311 179.126 176.870 -0.091 0.000 1.081 113 L CA 1.822 56.514 54.840 -0.248 0.000 0.784 113 L CB -1.019 41.057 42.059 0.029 0.000 0.896 113 L HN 0.423 nan 8.230 nan 0.000 0.438 114 L N -0.885 120.312 121.223 -0.043 0.000 1.971 114 L HA -0.302 4.037 4.340 -0.001 0.000 0.215 114 L C 2.590 179.483 176.870 0.038 0.000 1.072 114 L CA 2.288 57.140 54.840 0.019 0.000 0.758 114 L CB -0.370 41.700 42.059 0.018 0.000 0.889 114 L HN 0.409 nan 8.230 nan 0.000 0.433 115 I N -0.099 120.478 120.570 0.011 0.000 2.181 115 I HA -0.436 3.734 4.170 -0.001 0.000 0.247 115 I C 2.524 178.749 176.117 0.180 0.000 1.081 115 I CA 2.053 63.420 61.300 0.112 0.000 1.340 115 I CB -0.514 37.571 38.000 0.141 0.000 1.036 115 I HN 0.491 nan 8.210 nan 0.000 0.417 116 E N 0.922 121.135 120.200 0.022 0.000 2.038 116 E HA -0.200 4.150 4.350 -0.001 0.000 0.195 116 E C 2.276 178.949 176.600 0.120 0.000 1.000 116 E CA 1.504 57.931 56.400 0.044 0.000 0.803 116 E CB -0.322 29.300 29.700 -0.131 0.000 0.750 116 E HN 0.516 nan 8.360 nan 0.000 0.448 117 G N 0.988 109.850 108.800 0.103 0.000 2.491 117 G HA2 -0.324 3.636 3.960 -0.001 0.000 0.218 117 G HA3 -0.324 3.636 3.960 -0.001 0.000 0.218 117 G C 1.591 176.572 174.900 0.135 0.000 1.180 117 G CA 1.335 46.512 45.100 0.128 0.000 0.774 117 G HN 0.224 nan 8.290 nan 0.000 0.562 118 M N 0.028 119.734 119.600 0.175 0.000 2.144 118 M HA -0.045 4.434 4.480 -0.001 0.000 0.260 118 M C 2.598 178.979 176.300 0.135 0.000 1.067 118 M CA 1.175 56.607 55.300 0.219 0.000 1.095 118 M CB -0.472 32.340 32.600 0.354 0.000 1.365 118 M HN 0.247 nan 8.290 nan 0.000 0.406 119 I N 0.267 120.969 120.570 0.220 0.000 2.127 119 I HA -0.330 3.840 4.170 -0.001 0.000 0.241 119 I C 2.321 178.375 176.117 -0.105 0.000 1.075 119 I CA 1.443 62.782 61.300 0.064 0.000 1.334 119 I CB -0.530 37.666 38.000 0.327 0.000 1.040 119 I HN 0.280 nan 8.210 nan 0.000 0.405 120 L N 0.695 121.920 121.223 0.004 0.000 1.970 120 L HA -0.259 4.080 4.340 -0.001 0.000 0.212 120 L C 2.934 179.757 176.870 -0.077 0.000 1.071 120 L CA 1.706 56.546 54.840 -0.001 0.000 0.751 120 L CB -0.921 41.181 42.059 0.071 0.000 0.889 120 L HN 0.267 nan 8.230 nan 0.000 0.432 121 A N 0.344 123.094 122.820 -0.116 0.000 1.892 121 A HA -0.218 4.101 4.320 -0.001 0.000 0.218 121 A C 2.396 179.693 177.584 -0.478 0.000 1.188 121 A CA 2.167 53.939 52.037 -0.442 0.000 0.631 121 A CB -1.568 17.236 19.000 -0.327 0.000 0.822 121 A HN 0.507 nan 8.150 nan 0.000 0.447 122 G N -1.647 106.930 108.800 -0.372 0.000 2.514 122 G HA2 -0.340 3.620 3.960 -0.001 0.000 0.217 122 G HA3 -0.340 3.620 3.960 -0.001 0.000 0.217 122 G C 1.574 176.344 174.900 -0.218 0.000 1.198 122 G CA 1.443 46.312 45.100 -0.385 0.000 0.780 122 G HN 0.610 nan 8.290 nan 0.000 0.565 123 Y N 2.216 122.198 120.300 -0.529 0.000 2.165 123 Y HA -0.046 4.503 4.550 -0.001 0.000 0.286 123 Y C 2.930 178.592 175.900 -0.398 0.000 1.155 123 Y CA 1.253 58.864 58.100 -0.815 0.000 1.164 123 Y CB -0.624 37.215 38.460 -1.036 0.000 0.978 123 Y HN 0.265 nan 8.280 nan 0.000 0.513 124 A N 0.720 123.338 122.820 -0.336 0.000 1.986 124 A HA -0.172 4.147 4.320 -0.001 0.000 0.220 124 A C 1.996 179.416 177.584 -0.273 0.000 1.171 124 A CA 2.126 53.989 52.037 -0.289 0.000 0.640 124 A CB -1.349 17.541 19.000 -0.185 0.000 0.811 124 A HN 0.712 nan 8.150 nan 0.000 0.451 125 I N -6.588 113.809 120.570 -0.288 0.000 4.009 125 I HA 0.483 4.653 4.170 -0.001 0.000 0.331 125 I C 0.330 176.473 176.117 0.044 0.000 1.462 125 I CA -0.527 60.693 61.300 -0.134 0.000 1.117 125 I CB 0.390 38.267 38.000 -0.205 0.000 1.091 125 I HN 0.059 nan 8.210 nan 0.000 0.410 126 R N 1.161 121.650 120.500 -0.018 0.000 3.531 126 R HA -0.132 4.208 4.340 -0.001 0.000 0.280 126 R C -0.098 176.277 176.300 0.125 0.000 1.130 126 R CA 0.859 56.995 56.100 0.060 0.000 0.757 126 R CB -2.446 27.832 30.300 -0.036 0.000 1.218 126 R HN 0.658 nan 8.270 nan 0.000 0.454 127 A N -0.065 122.868 122.820 0.189 0.000 2.253 127 A HA 0.476 4.795 4.320 -0.001 0.000 0.316 127 A C 1.265 179.015 177.584 0.277 0.000 1.327 127 A CA 0.136 52.305 52.037 0.221 0.000 0.917 127 A CB 0.885 20.015 19.000 0.217 0.000 1.162 127 A HN 0.339 nan 8.150 nan 0.000 0.535 128 T N 0.590 115.235 114.554 0.151 0.000 3.088 128 T HA 0.198 4.548 4.350 -0.001 0.000 0.259 128 T C 0.183 174.993 174.700 0.183 0.000 1.122 128 T CA 0.895 63.057 62.100 0.104 0.000 1.095 128 T CB -0.361 68.456 68.868 -0.085 0.000 0.930 128 T HN 0.404 nan 8.240 nan 0.000 0.508 129 V N 0.634 120.628 119.914 0.134 0.000 2.623 129 V HA 0.761 4.880 4.120 -0.001 0.000 0.304 129 V C 0.325 176.506 176.094 0.144 0.000 1.054 129 V CA -0.790 61.485 62.300 -0.043 0.000 0.882 129 V CB 1.604 33.366 31.823 -0.102 0.000 1.002 129 V HN 0.427 nan 8.190 nan 0.000 0.424 130 G N 2.612 111.348 108.800 -0.107 0.000 2.482 130 G HA2 0.726 4.685 3.960 -0.001 0.000 0.317 130 G HA3 0.726 4.685 3.960 -0.001 0.000 0.317 130 G C -2.000 172.900 174.900 -0.000 0.000 1.241 130 G CA -0.466 44.712 45.100 0.131 0.000 0.967 130 G HN 0.436 nan 8.290 nan 0.000 0.482 131 Y N 0.011 120.442 120.300 0.218 0.000 2.425 131 Y HA 0.531 5.080 4.550 -0.001 0.000 0.344 131 Y C 0.202 176.209 175.900 0.178 0.000 0.969 131 Y CA -0.808 57.426 58.100 0.224 0.000 1.052 131 Y CB 2.574 41.193 38.460 0.264 0.000 1.215 131 Y HN 0.284 nan 8.280 nan 0.000 0.451 132 I N 3.957 124.708 120.570 0.302 0.000 2.405 132 I HA 0.122 4.291 4.170 -0.001 0.000 0.280 132 I C -1.185 175.082 176.117 0.250 0.000 1.027 132 I CA -0.822 60.616 61.300 0.230 0.000 1.161 132 I CB 0.674 38.759 38.000 0.141 0.000 1.300 132 I HN 0.535 nan 8.210 nan 0.000 0.463 133 Y N 8.146 128.521 120.300 0.124 0.000 2.486 133 Y HA 0.406 4.956 4.550 -0.001 0.000 0.348 133 Y C -0.158 175.779 175.900 0.062 0.000 1.000 133 Y CA -0.655 57.493 58.100 0.081 0.000 1.253 133 Y CB 0.807 39.257 38.460 -0.016 0.000 1.140 133 Y HN 0.310 nan 8.280 nan 0.000 0.526 134 V N 6.134 126.119 119.914 0.117 0.000 2.540 134 V HA 0.605 4.724 4.120 -0.001 0.000 0.302 134 V C -0.499 175.622 176.094 0.045 0.000 1.035 134 V CA -1.341 61.038 62.300 0.131 0.000 0.873 134 V CB 1.467 33.361 31.823 0.119 0.000 0.992 134 V HN 0.821 nan 8.190 nan 0.000 0.428 135 R N 3.269 123.779 120.500 0.016 0.000 2.638 135 R HA 0.195 4.534 4.340 -0.001 0.000 0.268 135 R C 1.197 177.473 176.300 -0.040 0.000 1.006 135 R CA 0.433 56.509 56.100 -0.041 0.000 1.088 135 R CB 0.050 30.218 30.300 -0.221 0.000 0.950 135 R HN 1.027 nan 8.270 nan 0.000 0.419 136 G N 2.229 111.019 108.800 -0.017 0.000 2.462 136 G HA2 -0.279 3.680 3.960 -0.001 0.000 0.220 136 G HA3 -0.279 3.680 3.960 -0.001 0.000 0.220 136 G C 0.807 175.722 174.900 0.025 0.000 1.121 136 G CA 0.553 45.653 45.100 -0.001 0.000 0.758 136 G HN 0.768 nan 8.290 nan 0.000 0.559 137 E N -0.550 119.657 120.200 0.012 0.000 2.338 137 E HA -0.030 4.319 4.350 -0.001 0.000 0.197 137 E C 0.175 176.891 176.600 0.193 0.000 1.007 137 E CA 0.240 56.675 56.400 0.058 0.000 0.849 137 E CB -0.085 29.629 29.700 0.022 0.000 0.774 137 E HN 0.415 nan 8.360 nan 0.000 0.506 138 Y N 1.014 121.306 120.300 -0.013 0.000 2.724 138 Y HA 0.175 4.725 4.550 -0.001 0.000 0.332 138 Y C 1.336 177.210 175.900 -0.043 0.000 1.276 138 Y CA -0.952 57.126 58.100 -0.037 0.000 1.597 138 Y CB -0.314 38.124 38.460 -0.037 0.000 1.584 138 Y HN -0.093 nan 8.280 nan 0.000 0.478 139 R N 1.855 122.413 120.500 0.095 0.000 2.096 139 R HA -0.200 4.140 4.340 -0.001 0.000 0.229 139 R C 2.260 178.551 176.300 -0.016 0.000 1.134 139 R CA 2.197 58.313 56.100 0.027 0.000 0.917 139 R CB -0.279 30.026 30.300 0.009 0.000 0.832 139 R HN 0.491 nan 8.270 nan 0.000 0.430 140 R N -0.198 120.266 120.500 -0.061 0.000 2.168 140 R HA -0.253 4.086 4.340 -0.001 0.000 0.242 140 R C 2.142 178.364 176.300 -0.130 0.000 1.123 140 R CA 2.654 58.682 56.100 -0.119 0.000 0.928 140 R CB -1.017 29.184 30.300 -0.165 0.000 0.873 140 R HN 0.432 nan 8.270 nan 0.000 0.434 141 A N -0.055 122.682 122.820 -0.139 0.000 1.896 141 A HA -0.297 4.023 4.320 -0.001 0.000 0.220 141 A C 2.409 179.964 177.584 -0.048 0.000 1.206 141 A CA 2.641 54.615 52.037 -0.105 0.000 0.647 141 A CB -1.386 17.585 19.000 -0.048 0.000 0.828 141 A HN 0.644 nan 8.150 nan 0.000 0.455 142 A N -0.786 122.030 122.820 -0.007 0.000 1.898 142 A HA -0.136 4.183 4.320 -0.001 0.000 0.216 142 A C 1.794 179.361 177.584 -0.027 0.000 1.181 142 A CA 1.973 54.008 52.037 -0.004 0.000 0.620 142 A CB -0.724 18.281 19.000 0.008 0.000 0.819 142 A HN 0.480 nan 8.150 nan 0.000 0.442 143 D N -0.498 119.877 120.400 -0.041 0.000 2.106 143 D HA -0.159 4.481 4.640 -0.001 0.000 0.191 143 D C 2.284 178.550 176.300 -0.057 0.000 0.997 143 D CA 1.233 55.206 54.000 -0.045 0.000 0.834 143 D CB -0.152 40.613 40.800 -0.059 0.000 0.956 143 D HN 0.218 nan 8.370 nan 0.000 0.448 144 R N 0.203 120.636 120.500 -0.112 0.000 2.082 144 R HA -0.043 4.296 4.340 -0.001 0.000 0.228 144 R C 2.676 178.937 176.300 -0.065 0.000 1.140 144 R CA 0.455 56.474 56.100 -0.133 0.000 0.920 144 R CB -1.362 28.783 30.300 -0.258 0.000 0.828 144 R HN 0.280 nan 8.270 nan 0.000 0.430 145 L N 0.972 122.151 121.223 -0.073 0.000 2.054 145 L HA -0.314 4.025 4.340 -0.001 0.000 0.220 145 L C 2.536 179.380 176.870 -0.044 0.000 1.081 145 L CA 1.756 56.559 54.840 -0.061 0.000 0.780 145 L CB -0.446 41.593 42.059 -0.033 0.000 0.893 145 L HN 0.235 nan 8.230 nan 0.000 0.438 146 E N -0.492 119.694 120.200 -0.023 0.000 2.007 146 E HA -0.265 4.085 4.350 -0.001 0.000 0.203 146 E C 2.150 178.754 176.600 0.006 0.000 1.020 146 E CA 1.580 57.975 56.400 -0.008 0.000 0.845 146 E CB -0.206 29.493 29.700 -0.002 0.000 0.779 146 E HN 0.270 nan 8.360 nan 0.000 0.466 147 Q N -0.219 119.600 119.800 0.032 0.000 1.998 147 Q HA -0.277 4.062 4.340 -0.001 0.000 0.209 147 Q C 2.209 178.264 176.000 0.092 0.000 1.002 147 Q CA 1.981 57.831 55.803 0.078 0.000 0.858 147 Q CB -1.007 27.809 28.738 0.131 0.000 0.932 147 Q HN 0.412 nan 8.270 nan 0.000 0.416 148 A N 0.793 123.656 122.820 0.072 0.000 1.940 148 A HA -0.228 4.091 4.320 -0.001 0.000 0.221 148 A C 2.142 179.673 177.584 -0.087 0.000 1.190 148 A CA 1.889 53.890 52.037 -0.060 0.000 0.647 148 A CB -0.867 17.951 19.000 -0.303 0.000 0.821 148 A HN 0.429 nan 8.150 nan 0.000 0.457 149 I N -1.280 119.254 120.570 -0.061 0.000 2.439 149 I HA -0.205 3.964 4.170 -0.001 0.000 0.251 149 I C 2.433 178.549 176.117 -0.003 0.000 1.139 149 I CA 1.252 62.525 61.300 -0.044 0.000 1.438 149 I CB -0.321 37.634 38.000 -0.075 0.000 1.085 149 I HN 0.328 nan 8.210 nan 0.000 0.427 150 K N 1.017 121.428 120.400 0.019 0.000 2.002 150 K HA -0.172 4.147 4.320 -0.001 0.000 0.209 150 K C 1.979 178.612 176.600 0.054 0.000 1.048 150 K CA 1.464 57.766 56.287 0.025 0.000 0.930 150 K CB -0.142 32.379 32.500 0.034 0.000 0.714 150 K HN 0.312 nan 8.250 nan 0.000 0.438 151 E N 0.685 120.957 120.200 0.120 0.000 2.021 151 E HA -0.263 4.086 4.350 -0.001 0.000 0.200 151 E C 2.135 178.822 176.600 0.145 0.000 1.015 151 E CA 1.400 57.897 56.400 0.161 0.000 0.824 151 E CB -0.285 29.599 29.700 0.306 0.000 0.762 151 E HN 0.344 nan 8.360 nan 0.000 0.454 152 A N 1.445 124.405 122.820 0.234 0.000 1.927 152 A HA -0.288 4.032 4.320 -0.001 0.000 0.220 152 A C 2.136 179.740 177.584 0.035 0.000 1.185 152 A CA 2.001 54.155 52.037 0.196 0.000 0.639 152 A CB -0.630 18.517 19.000 0.246 0.000 0.820 152 A HN 0.126 nan 8.150 nan 0.000 0.451 153 R N -0.699 119.803 120.500 0.003 0.000 2.081 153 R HA -0.094 4.246 4.340 -0.001 0.000 0.235 153 R C 2.402 178.651 176.300 -0.085 0.000 1.131 153 R CA 1.385 57.451 56.100 -0.058 0.000 0.960 153 R CB -0.421 29.842 30.300 -0.061 0.000 0.856 153 R HN 0.500 nan 8.270 nan 0.000 0.436 154 A N 1.358 124.142 122.820 -0.060 0.000 1.834 154 A HA -0.159 4.160 4.320 -0.001 0.000 0.216 154 A C 1.879 179.378 177.584 -0.142 0.000 1.203 154 A CA 1.400 53.391 52.037 -0.076 0.000 0.621 154 A CB -0.529 18.449 19.000 -0.036 0.000 0.841 154 A HN 0.249 nan 8.150 nan 0.000 0.446 155 R N -0.430 119.961 120.500 -0.183 0.000 2.397 155 R HA -0.025 4.314 4.340 -0.001 0.000 0.213 155 R C 1.271 177.245 176.300 -0.543 0.000 1.102 155 R CA 0.863 56.759 56.100 -0.340 0.000 1.040 155 R CB -1.207 28.859 30.300 -0.390 0.000 0.844 155 R HN 1.157 nan 8.270 nan 0.000 0.478 156 G N 0.101 108.652 108.800 -0.414 0.000 2.132 156 G HA2 -0.294 3.666 3.960 -0.001 0.000 0.234 156 G HA3 -0.294 3.666 3.960 -0.001 0.000 0.234 156 G C 0.226 174.826 174.900 -0.499 0.000 0.989 156 G CA 0.034 44.884 45.100 -0.417 0.000 0.676 156 G HN 0.346 nan 8.290 nan 0.000 0.522 157 Y N -0.421 119.710 120.300 -0.282 0.000 2.511 157 Y HA 0.553 5.103 4.550 -0.001 0.000 0.279 157 Y C 1.532 177.327 175.900 -0.174 0.000 1.157 157 Y CA 0.141 58.033 58.100 -0.347 0.000 1.300 157 Y CB 0.389 38.518 38.460 -0.550 0.000 1.052 157 Y HN 0.315 nan 8.280 nan 0.000 0.529 158 L N -1.075 120.128 121.223 -0.033 0.000 2.431 158 L HA 0.712 5.051 4.340 -0.001 0.000 0.266 158 L C 0.280 177.091 176.870 -0.099 0.000 0.978 158 L CA -0.360 54.470 54.840 -0.017 0.000 0.822 158 L CB 2.293 44.333 42.059 -0.032 0.000 1.310 158 L HN 0.190 nan 8.230 nan 0.000 0.409 159 G N 1.575 110.312 108.800 -0.105 0.000 2.265 159 G HA2 -0.135 3.824 3.960 -0.001 0.000 0.246 159 G HA3 -0.135 3.824 3.960 -0.001 0.000 0.246 159 G C -0.055 174.774 174.900 -0.118 0.000 1.299 159 G CA 0.008 45.032 45.100 -0.126 0.000 1.117 159 G HN 0.660 nan 8.290 nan 0.000 0.485 160 K N -0.373 119.963 120.400 -0.107 0.000 2.312 160 K HA -0.213 4.106 4.320 -0.001 0.000 0.230 160 K C 0.424 176.975 176.600 -0.082 0.000 0.775 160 K CA 2.186 58.420 56.287 -0.089 0.000 0.954 160 K CB -0.309 32.144 32.500 -0.078 0.000 0.501 160 K HN 0.430 nan 8.250 nan 0.000 0.853 161 N N 1.061 119.719 118.700 -0.071 0.000 2.569 161 N HA 0.185 4.924 4.740 -0.001 0.000 0.254 161 N C -1.192 174.281 175.510 -0.061 0.000 1.004 161 N CA -0.189 52.842 53.050 -0.032 0.000 0.904 161 N CB 0.946 39.430 38.487 -0.004 0.000 1.165 161 N HN 0.210 nan 8.380 nan 0.000 0.513 162 L N 3.922 125.118 121.223 -0.045 0.000 2.562 162 L HA 0.048 4.388 4.340 -0.001 0.000 0.271 162 L C 0.419 177.254 176.870 -0.058 0.000 1.167 162 L CA 0.068 54.758 54.840 -0.251 0.000 0.917 162 L CB -0.646 41.400 42.059 -0.021 0.000 1.187 162 L HN 0.584 nan 8.230 nan 0.000 0.482 163 F N 1.794 121.783 119.950 0.065 0.000 3.105 163 F HA -0.289 4.238 4.527 -0.001 0.000 0.280 163 F C 1.402 177.221 175.800 0.033 0.000 0.894 163 F CA 0.681 58.709 58.000 0.047 0.000 0.992 163 F CB -2.509 36.524 39.000 0.056 0.000 1.047 163 F HN 0.862 nan 8.300 nan 0.000 0.607 164 G N -0.466 108.417 108.800 0.139 0.000 2.527 164 G HA2 0.027 3.986 3.960 -0.001 0.000 0.262 164 G HA3 0.027 3.986 3.960 -0.001 0.000 0.262 164 G C 0.588 175.574 174.900 0.143 0.000 1.153 164 G CA 1.391 46.555 45.100 0.108 0.000 0.954 164 G HN 2.179 nan 8.290 nan 0.000 0.552 165 T N -0.985 113.644 114.554 0.126 0.000 3.852 165 T HA -0.110 4.240 4.350 -0.001 0.000 0.361 165 T C 0.800 175.603 174.700 0.171 0.000 0.759 165 T CA 1.793 63.971 62.100 0.129 0.000 1.899 165 T CB -2.414 66.521 68.868 0.111 0.000 1.822 165 T HN 2.675 nan 8.240 nan 0.000 0.778 166 D N -1.555 118.928 120.400 0.138 0.000 2.818 166 D HA -0.252 4.387 4.640 -0.001 0.000 0.222 166 D C -0.195 176.236 176.300 0.218 0.000 1.182 166 D CA 0.960 55.043 54.000 0.138 0.000 0.612 166 D CB -1.532 39.335 40.800 0.112 0.000 1.040 166 D HN 0.761 nan 8.370 nan 0.000 0.412 167 F N 1.045 121.040 119.950 0.075 0.000 2.460 167 F HA 0.400 4.926 4.527 -0.001 0.000 0.341 167 F C -0.367 175.488 175.800 0.092 0.000 1.130 167 F CA -0.892 57.167 58.000 0.098 0.000 0.962 167 F CB 1.751 40.817 39.000 0.110 0.000 1.171 167 F HN -0.192 nan 8.300 nan 0.000 0.436 168 S N 5.913 121.283 115.700 -0.550 0.000 2.608 168 S HA 0.749 5.218 4.470 -0.001 0.000 0.291 168 S C -1.571 172.681 174.600 -0.580 0.000 1.146 168 S CA -0.492 57.462 58.200 -0.410 0.000 1.043 168 S CB 1.702 64.764 63.200 -0.230 0.000 1.037 168 S HN 0.544 nan 8.310 nan 0.000 0.520 169 F N 1.631 121.307 119.950 -0.456 0.000 2.683 169 F HA 0.368 4.894 4.527 -0.001 0.000 0.333 169 F C -1.628 174.062 175.800 -0.184 0.000 1.160 169 F CA -0.675 57.126 58.000 -0.332 0.000 1.099 169 F CB 1.278 40.149 39.000 -0.214 0.000 1.344 169 F HN 0.551 nan 8.300 nan 0.000 0.534 170 D N 3.919 123.863 120.400 -0.760 0.000 2.547 170 D HA 0.675 5.315 4.640 -0.001 0.000 0.231 170 D C -1.690 174.017 176.300 -0.987 0.000 1.099 170 D CA -0.225 53.344 54.000 -0.718 0.000 0.901 170 D CB 2.670 43.174 40.800 -0.494 0.000 1.478 170 D HN 0.392 nan 8.370 nan 0.000 0.471 171 L N 1.893 122.623 121.223 -0.822 0.000 2.341 171 L HA 0.473 4.813 4.340 -0.001 0.000 0.267 171 L C -0.509 175.865 176.870 -0.826 0.000 1.009 171 L CA -0.583 53.840 54.840 -0.695 0.000 0.819 171 L CB 1.780 43.617 42.059 -0.370 0.000 1.323 171 L HN 0.381 nan 8.230 nan 0.000 0.425 172 H N 0.970 119.869 119.070 -0.284 0.000 2.771 172 H HA 0.537 5.093 4.556 -0.001 0.000 0.361 172 H C -1.253 174.071 175.328 -0.008 0.000 1.108 172 H CA -0.569 55.370 56.048 -0.182 0.000 1.201 172 H CB 2.344 31.918 29.762 -0.315 0.000 1.681 172 H HN 0.191 nan 8.280 nan 0.000 0.534 173 V N 4.035 124.034 119.914 0.141 0.000 2.350 173 V HA 0.076 4.195 4.120 -0.001 0.000 0.276 173 V C 0.162 176.337 176.094 0.134 0.000 1.028 173 V CA -0.497 61.880 62.300 0.128 0.000 0.860 173 V CB 0.973 32.828 31.823 0.054 0.000 0.990 173 V HN 0.634 nan 8.190 nan 0.000 0.453 174 H N 6.449 125.559 119.070 0.067 0.000 2.504 174 H HA 0.488 5.044 4.556 -0.001 0.000 0.322 174 H C -0.188 174.985 175.328 -0.259 0.000 1.055 174 H CA -0.658 55.362 56.048 -0.047 0.000 1.231 174 H CB 0.986 30.743 29.762 -0.008 0.000 1.417 174 H HN 0.574 nan 8.280 nan 0.000 0.472 175 R N 3.110 123.557 120.500 -0.088 0.000 2.254 175 R HA 0.332 4.672 4.340 -0.001 0.000 0.318 175 R C 0.777 176.965 176.300 -0.187 0.000 1.031 175 R CA -0.549 55.471 56.100 -0.134 0.000 0.905 175 R CB 1.353 31.601 30.300 -0.087 0.000 1.050 175 R HN 0.630 nan 8.270 nan 0.000 0.456 176 G N 0.932 109.520 108.800 -0.354 0.000 2.485 176 G HA2 0.368 4.327 3.960 -0.001 0.000 0.260 176 G HA3 0.368 4.327 3.960 -0.001 0.000 0.260 176 G C -0.202 174.696 174.900 -0.004 0.000 1.459 176 G CA 0.021 45.005 45.100 -0.193 0.000 1.060 176 G HN 0.622 nan 8.290 nan 0.000 0.546 177 A N -2.246 120.614 122.820 0.068 0.000 3.019 177 A HA 0.590 4.909 4.320 -0.001 0.000 0.202 177 A C 0.699 178.319 177.584 0.060 0.000 0.924 177 A CA 0.855 52.922 52.037 0.050 0.000 1.156 177 A CB -0.323 18.704 19.000 0.045 0.000 1.265 177 A HN 2.473 nan 8.150 nan 0.000 0.526 178 G N -0.639 108.202 108.800 0.067 0.000 2.255 178 G HA2 0.295 4.254 3.960 -0.001 0.000 0.239 178 G HA3 0.295 4.254 3.960 -0.001 0.000 0.239 178 G C 0.162 175.119 174.900 0.096 0.000 1.083 178 G CA 0.141 45.285 45.100 0.073 0.000 0.826 178 G HN 2.104 nan 8.290 nan 0.000 0.493 179 A N -0.116 122.764 122.820 0.100 0.000 2.646 179 A HA 0.680 4.999 4.320 -0.001 0.000 0.312 179 A C 0.478 178.117 177.584 0.093 0.000 1.245 179 A CA 0.416 52.509 52.037 0.093 0.000 0.755 179 A CB 0.443 19.479 19.000 0.060 0.000 1.132 179 A HN 1.373 nan 8.150 nan 0.000 0.458 180 Y N 3.465 123.771 120.300 0.010 0.000 2.062 180 Y HA -0.336 4.213 4.550 -0.001 0.000 0.276 180 Y C 1.650 177.550 175.900 -0.001 0.000 1.189 180 Y CA 2.820 60.933 58.100 0.022 0.000 1.130 180 Y CB -0.196 38.279 38.460 0.024 0.000 0.959 180 Y HN 0.607 nan 8.280 nan 0.000 0.499 181 I N 0.444 120.965 120.570 -0.081 0.000 2.229 181 I HA -0.401 3.768 4.170 -0.001 0.000 0.250 181 I C 2.282 178.241 176.117 -0.262 0.000 1.096 181 I CA 1.506 62.694 61.300 -0.186 0.000 1.358 181 I CB -1.207 36.772 38.000 -0.035 0.000 1.047 181 I HN 0.519 nan 8.210 nan 0.000 0.422 182 C N 1.213 120.384 119.300 -0.215 0.000 2.388 182 C HA -0.152 4.308 4.460 -0.001 0.000 0.299 182 C C 2.675 177.416 174.990 -0.416 0.000 1.390 182 C CA 0.928 59.765 59.018 -0.301 0.000 1.808 182 C CB -2.498 25.092 27.740 -0.251 0.000 1.831 182 C HN 0.765 nan 8.230 nan 0.000 0.548 183 G N -0.681 107.885 108.800 -0.390 0.000 2.511 183 G HA2 -0.070 3.889 3.960 -0.001 0.000 0.217 183 G HA3 -0.070 3.889 3.960 -0.001 0.000 0.217 183 G C 0.735 175.473 174.900 -0.269 0.000 1.133 183 G CA 0.092 44.986 45.100 -0.343 0.000 0.792 183 G HN 0.515 nan 8.290 nan 0.000 0.539 184 E N 1.650 121.695 120.200 -0.258 0.000 2.406 184 E HA -0.019 4.330 4.350 -0.001 0.000 0.258 184 E C 1.674 178.162 176.600 -0.187 0.000 1.043 184 E CA 0.010 56.301 56.400 -0.182 0.000 0.929 184 E CB 0.478 30.081 29.700 -0.162 0.000 0.969 184 E HN 0.714 nan 8.360 nan 0.000 0.462 185 E N 2.996 123.110 120.200 -0.144 0.000 2.082 185 E HA -0.368 3.981 4.350 -0.001 0.000 0.215 185 E C 1.354 177.852 176.600 -0.171 0.000 1.048 185 E CA 2.472 58.788 56.400 -0.140 0.000 0.869 185 E CB -0.821 28.831 29.700 -0.081 0.000 0.773 185 E HN 0.620 nan 8.360 nan 0.000 0.466 186 T N -1.084 113.375 114.554 -0.157 0.000 2.833 186 T HA 0.006 4.355 4.350 -0.001 0.000 0.269 186 T C 2.115 176.705 174.700 -0.182 0.000 1.054 186 T CA 1.441 63.440 62.100 -0.168 0.000 1.135 186 T CB -0.417 68.353 68.868 -0.164 0.000 0.869 186 T HN 0.419 nan 8.240 nan 0.000 0.466 187 A N 1.892 124.603 122.820 -0.183 0.000 1.858 187 A HA 0.111 4.430 4.320 -0.001 0.000 0.216 187 A C 2.415 179.853 177.584 -0.242 0.000 1.190 187 A CA 1.529 53.459 52.037 -0.178 0.000 0.617 187 A CB -1.176 17.722 19.000 -0.170 0.000 0.827 187 A HN 0.550 nan 8.150 nan 0.000 0.443 188 L N -0.888 120.139 121.223 -0.327 0.000 2.034 188 L HA -0.316 4.024 4.340 -0.001 0.000 0.217 188 L C 2.760 179.402 176.870 -0.380 0.000 1.077 188 L CA 2.283 56.827 54.840 -0.493 0.000 0.769 188 L CB -0.264 41.484 42.059 -0.519 0.000 0.890 188 L HN 0.491 nan 8.230 nan 0.000 0.435 189 M N -0.744 118.667 119.600 -0.315 0.000 2.065 189 M HA -0.269 4.211 4.480 -0.001 0.000 0.259 189 M C 2.026 178.122 176.300 -0.341 0.000 1.071 189 M CA 2.082 57.172 55.300 -0.351 0.000 1.109 189 M CB -0.729 31.679 32.600 -0.321 0.000 1.313 189 M HN 0.335 nan 8.290 nan 0.000 0.408 190 N N 0.329 118.876 118.700 -0.254 0.000 2.061 190 N HA -0.169 4.571 4.740 -0.001 0.000 0.193 190 N C 1.824 177.235 175.510 -0.165 0.000 1.030 190 N CA 1.861 54.793 53.050 -0.197 0.000 0.856 190 N CB -0.634 37.774 38.487 -0.131 0.000 1.023 190 N HN 0.317 nan 8.380 nan 0.000 0.424 191 S N 0.726 116.339 115.700 -0.145 0.000 2.359 191 S HA -0.129 4.340 4.470 -0.001 0.000 0.222 191 S C 1.984 176.541 174.600 -0.071 0.000 1.038 191 S CA 1.322 59.485 58.200 -0.062 0.000 1.051 191 S CB -0.582 62.610 63.200 -0.013 0.000 0.944 191 S HN 0.430 nan 8.310 nan 0.000 0.433 192 L N 1.112 122.236 121.223 -0.166 0.000 2.046 192 L HA -0.049 4.291 4.340 -0.001 0.000 0.208 192 L C 2.495 179.213 176.870 -0.254 0.000 1.077 192 L CA 2.316 56.886 54.840 -0.451 0.000 0.747 192 L CB -0.627 41.132 42.059 -0.501 0.000 0.896 192 L HN 0.490 nan 8.230 nan 0.000 0.432 193 E N -0.437 119.563 120.200 -0.334 0.000 2.463 193 E HA -0.126 4.223 4.350 -0.001 0.000 0.201 193 E C 1.339 177.924 176.600 -0.024 0.000 1.045 193 E CA 0.683 56.894 56.400 -0.315 0.000 0.872 193 E CB -0.117 29.280 29.700 -0.505 0.000 0.797 193 E HN 0.786 nan 8.360 nan 0.000 0.538 194 G N -0.280 108.523 108.800 0.004 0.000 2.194 194 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.236 194 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.236 194 G C 0.247 175.161 174.900 0.024 0.000 0.987 194 G CA 0.331 45.465 45.100 0.056 0.000 0.635 194 G HN 0.191 nan 8.290 nan 0.000 0.520 195 L N -0.184 121.032 121.223 -0.012 0.000 2.569 195 L HA 0.651 4.990 4.340 -0.001 0.000 0.247 195 L C 1.266 178.126 176.870 -0.017 0.000 1.135 195 L CA -1.265 53.565 54.840 -0.015 0.000 0.812 195 L CB 0.275 42.314 42.059 -0.034 0.000 1.431 195 L HN 0.003 nan 8.230 nan 0.000 0.499 196 R N 0.405 120.895 120.500 -0.017 0.000 2.438 196 R HA 0.275 4.614 4.340 -0.001 0.000 0.287 196 R C -0.011 176.272 176.300 -0.028 0.000 1.077 196 R CA -0.357 55.734 56.100 -0.015 0.000 1.034 196 R CB 0.625 30.916 30.300 -0.015 0.000 0.993 196 R HN 0.710 nan 8.270 nan 0.000 0.459 197 A N 4.567 127.370 122.820 -0.028 0.000 3.076 197 A HA -0.004 4.315 4.320 -0.001 0.000 0.269 197 A C -0.344 177.214 177.584 -0.043 0.000 1.916 197 A CA -0.153 51.855 52.037 -0.049 0.000 1.492 197 A CB -0.743 18.228 19.000 -0.048 0.000 1.000 197 A HN 0.614 nan 8.150 nan 0.000 0.615 198 N N 2.475 121.157 118.700 -0.030 0.000 2.430 198 N HA 0.382 5.121 4.740 -0.001 0.000 0.292 198 N C -2.888 172.630 175.510 0.014 0.000 1.051 198 N CA -1.356 51.699 53.050 0.007 0.000 0.917 198 N CB 1.448 39.948 38.487 0.023 0.000 1.164 198 N HN 0.281 nan 8.380 nan 0.000 0.484 199 P HA 0.111 nan 4.420 nan 0.000 0.269 199 P C -0.160 177.178 177.300 0.062 0.000 1.215 199 P CA 0.033 63.114 63.100 -0.031 0.000 0.780 199 P CB 1.294 32.926 31.700 -0.113 0.000 0.898 200 R N 0.569 121.031 120.500 -0.062 0.000 2.546 200 R HA 0.410 4.749 4.340 -0.001 0.000 0.266 200 R C -0.006 176.256 176.300 -0.063 0.000 1.086 200 R CA -1.090 55.004 56.100 -0.010 0.000 1.160 200 R CB 0.027 30.277 30.300 -0.085 0.000 1.138 200 R HN 0.357 nan 8.270 nan 0.000 0.567 201 L N 2.178 123.453 121.223 0.087 0.000 2.385 201 L HA 0.076 4.416 4.340 -0.001 0.000 0.281 201 L C 0.534 177.297 176.870 -0.178 0.000 1.106 201 L CA 0.617 55.520 54.840 0.104 0.000 0.856 201 L CB 0.465 42.611 42.059 0.145 0.000 1.186 201 L HN 0.499 nan 8.230 nan 0.000 0.453 202 K N 4.388 124.578 120.400 -0.350 0.000 2.442 202 K HA -0.033 4.286 4.320 -0.001 0.000 0.198 202 K C -0.907 175.236 176.600 -0.761 0.000 1.042 202 K CA 0.801 56.736 56.287 -0.586 0.000 0.958 202 K CB -0.641 31.498 32.500 -0.603 0.000 0.766 202 K HN 0.564 nan 8.250 nan 0.000 0.474 203 P HA -0.141 nan 4.420 nan 0.000 0.218 203 P C -2.061 175.071 177.300 -0.280 0.000 1.146 203 P CA 1.161 64.082 63.100 -0.299 0.000 0.820 203 P CB -0.550 31.075 31.700 -0.125 0.000 0.778 204 P HA 0.229 nan 4.420 nan 0.000 0.206 204 P C -0.649 176.563 177.300 -0.146 0.000 1.849 204 P CA -0.801 62.223 63.100 -0.127 0.000 1.229 204 P CB 0.039 31.694 31.700 -0.074 0.000 1.673 205 F N 4.255 124.159 119.950 -0.076 0.000 2.646 205 F HA -0.046 4.480 4.527 -0.001 0.000 0.363 205 F C -0.139 175.614 175.800 -0.079 0.000 1.143 205 F CA -0.662 57.281 58.000 -0.094 0.000 1.356 205 F CB -0.268 38.654 39.000 -0.130 0.000 1.055 205 F HN 0.263 nan 8.300 nan 0.000 0.606 206 P HA -0.287 nan 4.420 nan 0.000 0.216 206 P C 1.215 178.546 177.300 0.050 0.000 1.153 206 P CA 2.352 65.480 63.100 0.047 0.000 0.858 206 P CB -0.152 31.563 31.700 0.025 0.000 0.789 207 A N 0.083 122.946 122.820 0.071 0.000 1.940 207 A HA -0.228 4.091 4.320 -0.001 0.000 0.219 207 A C 2.239 179.835 177.584 0.021 0.000 1.176 207 A CA 1.897 53.959 52.037 0.041 0.000 0.631 207 A CB -1.315 17.720 19.000 0.058 0.000 0.814 207 A HN 0.290 nan 8.150 nan 0.000 0.446 208 Q N -1.795 118.035 119.800 0.050 0.000 2.402 208 Q HA 0.231 4.570 4.340 -0.001 0.000 0.206 208 Q C -0.035 175.989 176.000 0.039 0.000 0.919 208 Q CA 0.646 56.474 55.803 0.041 0.000 0.923 208 Q CB 0.574 29.348 28.738 0.060 0.000 1.048 208 Q HN 0.399 nan 8.270 nan 0.000 0.515 209 S N -0.550 115.171 115.700 0.035 0.000 2.277 209 S HA 0.516 4.985 4.470 -0.001 0.000 0.230 209 S C -0.659 173.937 174.600 -0.007 0.000 0.893 209 S CA -0.391 57.823 58.200 0.024 0.000 1.044 209 S CB 0.182 63.395 63.200 0.021 0.000 1.252 209 S HN 0.327 nan 8.310 nan 0.000 0.393 210 G N 2.091 110.880 108.800 -0.018 0.000 3.302 210 G HA2 0.572 4.531 3.960 -0.001 0.000 0.170 210 G HA3 0.572 4.531 3.960 -0.001 0.000 0.170 210 G C -0.471 174.331 174.900 -0.163 0.000 1.119 210 G CA -0.789 44.261 45.100 -0.085 0.000 0.826 210 G HN 0.670 nan 8.290 nan 0.000 0.646 211 L N 1.356 122.398 121.223 -0.303 0.000 2.906 211 L HA -0.053 4.286 4.340 -0.001 0.000 0.292 211 L C 0.211 176.862 176.870 -0.365 0.000 1.130 211 L CA 0.363 54.835 54.840 -0.613 0.000 0.940 211 L CB -1.138 40.410 42.059 -0.852 0.000 1.336 211 L HN 0.573 nan 8.230 nan 0.000 0.469 212 W N 4.285 125.445 121.300 -0.233 0.000 5.121 212 W HA -0.236 4.423 4.660 -0.001 0.000 0.372 212 W C 1.403 177.879 176.519 -0.071 0.000 1.394 212 W CA 0.912 58.168 57.345 -0.148 0.000 0.885 212 W CB -2.179 27.181 29.460 -0.167 0.000 2.520 212 W HN 1.062 nan 8.180 nan 0.000 1.455 213 G N -0.783 108.064 108.800 0.079 0.000 2.189 213 G HA2 -0.346 3.613 3.960 -0.001 0.000 0.267 213 G HA3 -0.346 3.613 3.960 -0.001 0.000 0.267 213 G C 0.546 175.513 174.900 0.111 0.000 0.975 213 G CA 0.903 46.051 45.100 0.080 0.000 0.644 213 G HN 0.131 nan 8.290 nan 0.000 0.537 214 K N 0.583 121.071 120.400 0.147 0.000 2.156 214 K HA 0.450 4.769 4.320 -0.001 0.000 0.271 214 K C -2.670 174.035 176.600 0.175 0.000 0.995 214 K CA -2.503 53.924 56.287 0.235 0.000 0.890 214 K CB 1.317 34.106 32.500 0.481 0.000 1.073 214 K HN -0.065 nan 8.250 nan 0.000 0.454 215 P HA -0.052 nan 4.420 nan 0.000 0.254 215 P C -0.234 177.077 177.300 0.019 0.000 1.186 215 P CA 0.555 63.641 63.100 -0.024 0.000 0.868 215 P CB 0.001 31.552 31.700 -0.247 0.000 0.856 216 T N 0.147 114.739 114.554 0.063 0.000 2.927 216 T HA 0.758 5.108 4.350 -0.001 0.000 0.286 216 T C -0.465 174.270 174.700 0.058 0.000 1.040 216 T CA -0.717 61.452 62.100 0.115 0.000 1.010 216 T CB 1.917 70.849 68.868 0.106 0.000 1.177 216 T HN 0.158 nan 8.240 nan 0.000 0.546 217 T N 0.115 114.713 114.554 0.074 0.000 2.956 217 T HA 0.638 4.987 4.350 -0.001 0.000 0.312 217 T C -1.610 173.135 174.700 0.075 0.000 1.151 217 T CA -0.821 61.314 62.100 0.059 0.000 1.024 217 T CB 0.744 69.623 68.868 0.018 0.000 1.140 217 T HN 0.677 nan 8.240 nan 0.000 0.473 218 I N 3.802 124.420 120.570 0.080 0.000 2.498 218 I HA 0.554 4.723 4.170 -0.001 0.000 0.290 218 I C -0.571 175.617 176.117 0.119 0.000 1.032 218 I CA -0.939 60.409 61.300 0.080 0.000 1.073 218 I CB 2.234 40.250 38.000 0.026 0.000 1.251 218 I HN 0.538 nan 8.210 nan 0.000 0.426 219 N N 3.230 122.012 118.700 0.136 0.000 2.455 219 N HA 0.319 5.058 4.740 -0.001 0.000 0.278 219 N C -1.130 174.454 175.510 0.124 0.000 1.291 219 N CA -0.917 52.230 53.050 0.161 0.000 0.780 219 N CB 1.426 40.063 38.487 0.249 0.000 1.520 219 N HN 0.555 nan 8.380 nan 0.000 0.486 220 N N 0.469 119.236 118.700 0.112 0.000 2.515 220 N HA 0.170 4.909 4.740 -0.001 0.000 0.279 220 N C 0.968 176.525 175.510 0.079 0.000 1.164 220 N CA -0.215 52.886 53.050 0.085 0.000 0.982 220 N CB 1.210 39.740 38.487 0.073 0.000 1.170 220 N HN 0.246 nan 8.380 nan 0.000 0.474 221 V N 3.072 123.026 119.914 0.066 0.000 2.225 221 V HA -0.324 3.795 4.120 -0.001 0.000 0.252 221 V C 2.412 178.507 176.094 0.002 0.000 1.055 221 V CA 2.559 64.886 62.300 0.045 0.000 1.032 221 V CB -0.978 30.868 31.823 0.037 0.000 0.655 221 V HN 0.844 nan 8.190 nan 0.000 0.458 222 E N -0.636 119.536 120.200 -0.047 0.000 2.086 222 E HA -0.307 4.042 4.350 -0.001 0.000 0.205 222 E C 2.148 178.701 176.600 -0.078 0.000 1.027 222 E CA 2.418 58.728 56.400 -0.150 0.000 0.830 222 E CB -0.308 29.314 29.700 -0.131 0.000 0.751 222 E HN 0.734 nan 8.360 nan 0.000 0.456 223 T N 1.494 116.062 114.554 0.023 0.000 2.544 223 T HA -0.221 4.128 4.350 -0.001 0.000 0.264 223 T C 1.944 176.715 174.700 0.118 0.000 1.096 223 T CA 1.824 63.973 62.100 0.081 0.000 1.181 223 T CB -0.492 68.445 68.868 0.115 0.000 0.864 223 T HN 0.178 nan 8.240 nan 0.000 0.415 224 L N 0.697 122.009 121.223 0.149 0.000 2.079 224 L HA -0.164 4.175 4.340 -0.001 0.000 0.210 224 L C 3.004 179.967 176.870 0.154 0.000 1.081 224 L CA 1.219 56.172 54.840 0.187 0.000 0.752 224 L CB -0.701 41.462 42.059 0.173 0.000 0.896 224 L HN 0.295 nan 8.230 nan 0.000 0.433 225 A N -0.699 122.180 122.820 0.099 0.000 1.902 225 A HA -0.200 4.120 4.320 -0.001 0.000 0.217 225 A C 2.490 180.275 177.584 0.335 0.000 1.181 225 A CA 2.059 54.174 52.037 0.129 0.000 0.623 225 A CB -0.606 18.365 19.000 -0.048 0.000 0.818 225 A HN 0.384 nan 8.150 nan 0.000 0.443 226 S N -0.262 115.634 115.700 0.326 0.000 2.400 226 S HA -0.133 4.337 4.470 -0.001 0.000 0.232 226 S C 1.771 176.448 174.600 0.128 0.000 1.025 226 S CA 1.279 59.719 58.200 0.400 0.000 0.993 226 S CB -0.488 62.883 63.200 0.286 0.000 0.808 226 S HN 0.359 nan 8.310 nan 0.000 0.478 227 V N 1.457 121.438 119.914 0.113 0.000 2.546 227 V HA -0.182 3.937 4.120 -0.001 0.000 0.254 227 V C 2.189 178.325 176.094 0.070 0.000 1.076 227 V CA 1.328 63.678 62.300 0.084 0.000 1.087 227 V CB -0.870 31.083 31.823 0.216 0.000 0.674 227 V HN 0.340 nan 8.190 nan 0.000 0.470 228 V N 0.904 120.879 119.914 0.101 0.000 2.216 228 V HA -0.130 3.989 4.120 -0.001 0.000 0.243 228 V C 0.384 176.487 176.094 0.015 0.000 1.044 228 V CA 2.653 64.993 62.300 0.068 0.000 0.995 228 V CB -1.715 30.168 31.823 0.099 0.000 0.633 228 V HN 0.534 nan 8.190 nan 0.000 0.446 229 P HA -0.120 nan 4.420 nan 0.000 0.225 229 P C 1.756 179.064 177.300 0.014 0.000 1.148 229 P CA 1.499 64.575 63.100 -0.040 0.000 0.779 229 P CB -0.036 31.649 31.700 -0.025 0.000 0.780 230 I N -1.241 119.324 120.570 -0.010 0.000 2.439 230 I HA -0.152 4.017 4.170 -0.001 0.000 0.251 230 I C 2.265 178.370 176.117 -0.022 0.000 1.139 230 I CA 1.095 62.360 61.300 -0.059 0.000 1.438 230 I CB -0.322 37.507 38.000 -0.285 0.000 1.085 230 I HN -0.088 nan 8.210 nan 0.000 0.427 231 M N -0.593 118.995 119.600 -0.021 0.000 2.394 231 M HA -0.057 4.422 4.480 -0.001 0.000 0.266 231 M C 2.065 178.344 176.300 -0.035 0.000 1.098 231 M CA 1.202 56.494 55.300 -0.015 0.000 1.149 231 M CB -1.020 31.580 32.600 0.000 0.000 1.369 231 M HN 0.180 nan 8.290 nan 0.000 0.450 232 E N 1.018 121.183 120.200 -0.060 0.000 2.072 232 E HA -0.078 4.271 4.350 -0.001 0.000 0.190 232 E C 0.050 176.575 176.600 -0.126 0.000 0.982 232 E CA 0.625 56.964 56.400 -0.101 0.000 0.803 232 E CB 0.458 30.078 29.700 -0.134 0.000 0.755 232 E HN 0.381 nan 8.360 nan 0.000 0.453 233 R N 0.093 120.511 120.500 -0.137 0.000 2.393 233 R HA 0.378 4.717 4.340 -0.001 0.000 0.315 233 R C -0.080 176.250 176.300 0.049 0.000 0.952 233 R CA -0.326 55.687 56.100 -0.144 0.000 0.842 233 R CB 1.580 31.590 30.300 -0.482 0.000 1.163 233 R HN 0.035 nan 8.270 nan 0.000 0.450 234 G N 1.569 110.406 108.800 0.062 0.000 2.281 234 G HA2 -0.075 3.884 3.960 -0.001 0.000 0.236 234 G HA3 -0.075 3.884 3.960 -0.001 0.000 0.236 234 G C 1.176 176.191 174.900 0.190 0.000 1.053 234 G CA 0.351 45.514 45.100 0.106 0.000 0.874 234 G HN 0.814 nan 8.290 nan 0.000 0.450 235 A N 2.203 125.101 122.820 0.131 0.000 1.940 235 A HA -0.195 4.124 4.320 -0.001 0.000 0.221 235 A C 2.106 179.817 177.584 0.213 0.000 1.190 235 A CA 2.239 54.367 52.037 0.151 0.000 0.647 235 A CB -0.354 18.690 19.000 0.074 0.000 0.821 235 A HN 0.718 nan 8.150 nan 0.000 0.457 236 D N -1.732 118.764 120.400 0.160 0.000 2.228 236 D HA -0.220 4.420 4.640 -0.001 0.000 0.203 236 D C 1.502 177.903 176.300 0.168 0.000 0.988 236 D CA 1.556 55.635 54.000 0.132 0.000 0.864 236 D CB -0.357 40.505 40.800 0.103 0.000 0.928 236 D HN 0.868 nan 8.370 nan 0.000 0.469 237 W N 1.072 122.418 121.300 0.077 0.000 2.379 237 W HA -0.175 4.484 4.660 -0.001 0.000 0.307 237 W C 2.060 178.642 176.519 0.105 0.000 1.200 237 W CA 0.684 58.074 57.345 0.075 0.000 1.297 237 W CB -0.761 28.740 29.460 0.068 0.000 1.140 237 W HN -0.139 nan 8.180 nan 0.000 0.507 238 F N 1.606 121.483 119.950 -0.123 0.000 2.046 238 F HA -0.196 4.330 4.527 -0.001 0.000 0.297 238 F C 2.451 178.061 175.800 -0.315 0.000 1.123 238 F CA 3.012 60.803 58.000 -0.348 0.000 1.199 238 F CB -1.267 37.692 39.000 -0.067 0.000 0.972 238 F HN -0.028 nan 8.300 nan 0.000 0.474 239 A N -0.468 122.312 122.820 -0.067 0.000 1.892 239 A HA -0.312 4.007 4.320 -0.001 0.000 0.218 239 A C 1.909 179.373 177.584 -0.199 0.000 1.188 239 A CA 1.647 53.601 52.037 -0.139 0.000 0.631 239 A CB -1.205 17.787 19.000 -0.013 0.000 0.822 239 A HN 0.588 nan 8.150 nan 0.000 0.447 240 Q N -0.649 119.051 119.800 -0.166 0.000 2.800 240 Q HA 0.332 4.671 4.340 -0.001 0.000 0.261 240 Q C -0.371 175.488 176.000 -0.235 0.000 1.093 240 Q CA 0.047 55.766 55.803 -0.140 0.000 0.943 240 Q CB -0.528 28.174 28.738 -0.060 0.000 1.591 240 Q HN 0.605 nan 8.270 nan 0.000 0.429 241 M N 0.134 119.549 119.600 -0.308 0.000 2.480 241 M HA 0.398 4.877 4.480 -0.001 0.000 0.186 241 M C -1.200 174.884 176.300 -0.360 0.000 0.948 241 M CA 0.114 55.191 55.300 -0.370 0.000 0.857 241 M CB 0.895 33.153 32.600 -0.571 0.000 2.723 241 M HN 0.319 nan 8.290 nan 0.000 0.410 242 G N 1.516 110.172 108.800 -0.240 0.000 2.355 242 G HA2 0.077 4.037 3.960 -0.001 0.000 0.619 242 G HA3 0.077 4.037 3.960 -0.001 0.000 0.619 242 G C -0.585 174.244 174.900 -0.118 0.000 1.337 242 G CA -0.325 44.659 45.100 -0.193 0.000 0.993 242 G HN 0.973 nan 8.290 nan 0.000 0.599 243 T N -1.983 112.525 114.554 -0.077 0.000 3.092 243 T HA 0.436 4.786 4.350 -0.001 0.000 0.374 243 T C 1.329 176.020 174.700 -0.015 0.000 1.190 243 T CA 1.118 63.205 62.100 -0.020 0.000 1.021 243 T CB 0.539 69.429 68.868 0.037 0.000 1.556 243 T HN 0.597 nan 8.240 nan 0.000 0.540 244 E N 0.352 120.567 120.200 0.026 0.000 2.107 244 E HA -0.069 4.280 4.350 -0.001 0.000 0.191 244 E C 1.987 178.577 176.600 -0.016 0.000 0.982 244 E CA 0.945 57.348 56.400 0.004 0.000 0.809 244 E CB 0.035 29.746 29.700 0.019 0.000 0.756 244 E HN 0.611 nan 8.360 nan 0.000 0.459 245 Q N -0.595 119.203 119.800 -0.003 0.000 2.149 245 Q HA 0.185 4.524 4.340 -0.001 0.000 0.221 245 Q C -0.378 175.588 176.000 -0.056 0.000 0.807 245 Q CA -0.090 55.692 55.803 -0.035 0.000 1.000 245 Q CB 1.551 30.276 28.738 -0.022 0.000 1.157 245 Q HN -0.108 nan 8.270 nan 0.000 0.487 246 S N 1.068 116.752 115.700 -0.028 0.000 2.080 246 S HA 0.326 4.795 4.470 -0.001 0.000 0.162 246 S C -0.513 174.014 174.600 -0.121 0.000 1.618 246 S CA -0.531 57.654 58.200 -0.025 0.000 1.200 246 S CB 0.391 63.677 63.200 0.143 0.000 1.135 246 S HN 0.055 nan 8.310 nan 0.000 0.455 247 K N 1.478 121.753 120.400 -0.208 0.000 2.102 247 K HA 0.756 5.075 4.320 -0.001 0.000 0.244 247 K C 1.023 177.206 176.600 -0.694 0.000 1.021 247 K CA 0.743 56.792 56.287 -0.397 0.000 0.913 247 K CB 0.280 32.572 32.500 -0.347 0.000 1.062 247 K HN 0.594 nan 8.250 nan 0.000 0.485 248 G N 0.083 108.123 108.800 -1.267 0.000 2.728 248 G HA2 -0.108 3.851 3.960 -0.001 0.000 0.294 248 G HA3 -0.108 3.851 3.960 -0.001 0.000 0.294 248 G C -0.894 173.636 174.900 -0.616 0.000 1.342 248 G CA -0.268 43.870 45.100 -1.604 0.000 0.866 248 G HN 0.553 nan 8.290 nan 0.000 0.534 249 M N -0.487 118.928 119.600 -0.308 0.000 2.404 249 M HA 0.909 5.388 4.480 -0.001 0.000 0.338 249 M C -0.476 175.771 176.300 -0.088 0.000 1.150 249 M CA -1.079 54.114 55.300 -0.178 0.000 1.016 249 M CB 1.539 34.056 32.600 -0.139 0.000 1.672 249 M HN 0.718 nan 8.290 nan 0.000 0.448 250 K N 2.310 122.596 120.400 -0.189 0.000 2.166 250 K HA 0.680 4.999 4.320 -0.001 0.000 0.245 250 K C -1.489 174.845 176.600 -0.442 0.000 0.967 250 K CA -0.577 55.466 56.287 -0.407 0.000 0.863 250 K CB 1.282 33.241 32.500 -0.902 0.000 1.107 250 K HN 0.754 nan 8.250 nan 0.000 0.436 251 L N 4.695 125.675 121.223 -0.405 0.000 2.407 251 L HA 0.328 4.668 4.340 -0.001 0.000 0.261 251 L C -1.066 175.611 176.870 -0.323 0.000 1.108 251 L CA -0.150 54.532 54.840 -0.264 0.000 0.995 251 L CB -0.666 41.291 42.059 -0.171 0.000 1.349 251 L HN 0.520 nan 8.230 nan 0.000 0.423 252 Y N 1.777 122.020 120.300 -0.095 0.000 2.346 252 Y HA 0.418 4.968 4.550 -0.001 0.000 0.330 252 Y C 0.812 176.667 175.900 -0.076 0.000 1.178 252 Y CA -0.325 57.717 58.100 -0.097 0.000 1.331 252 Y CB 0.675 39.065 38.460 -0.116 0.000 1.253 252 Y HN 0.486 nan 8.280 nan 0.000 0.529 253 Q N 3.910 123.745 119.800 0.059 0.000 2.305 253 Q HA 0.600 4.940 4.340 -0.001 0.000 0.271 253 Q C -1.595 174.512 176.000 0.178 0.000 1.046 253 Q CA -0.789 54.990 55.803 -0.040 0.000 0.798 253 Q CB 2.930 31.265 28.738 -0.671 0.000 1.286 253 Q HN 0.834 nan 8.270 nan 0.000 0.435 254 I N 1.639 122.401 120.570 0.320 0.000 2.569 254 I HA 0.621 4.790 4.170 -0.001 0.000 0.296 254 I C -1.129 175.195 176.117 0.346 0.000 1.028 254 I CA -0.484 60.983 61.300 0.279 0.000 1.082 254 I CB 2.123 40.221 38.000 0.164 0.000 1.264 254 I HN 0.962 nan 8.210 nan 0.000 0.429 255 S N 4.272 120.108 115.700 0.227 0.000 2.651 255 S HA 1.017 5.486 4.470 -0.001 0.000 0.279 255 S C -0.281 174.349 174.600 0.049 0.000 1.148 255 S CA -0.228 58.048 58.200 0.127 0.000 0.837 255 S CB 1.499 64.740 63.200 0.067 0.000 1.138 255 S HN 1.465 nan 8.310 nan 0.000 0.478 256 G N 0.468 109.272 108.800 0.006 0.000 2.483 256 G HA2 0.064 4.024 3.960 -0.001 0.000 0.521 256 G HA3 0.064 4.024 3.960 -0.001 0.000 0.521 256 G C -3.233 171.657 174.900 -0.018 0.000 1.278 256 G CA -0.889 44.199 45.100 -0.018 0.000 0.965 256 G HN 0.673 nan 8.290 nan 0.000 0.504 257 P HA 0.323 nan 4.420 nan 0.000 0.233 257 P C -0.078 177.198 177.300 -0.039 0.000 1.576 257 P CA 0.372 63.451 63.100 -0.035 0.000 0.962 257 P CB 0.095 31.765 31.700 -0.049 0.000 1.859 258 V N 0.545 120.449 119.914 -0.017 0.000 2.815 258 V HA 0.289 4.408 4.120 -0.001 0.000 0.314 258 V C 1.629 177.735 176.094 0.020 0.000 1.064 258 V CA -0.786 61.504 62.300 -0.016 0.000 0.952 258 V CB 2.235 34.045 31.823 -0.022 0.000 1.020 258 V HN -0.061 nan 8.190 nan 0.000 0.439 259 K N 3.487 123.904 120.400 0.028 0.000 1.988 259 K HA -0.085 4.234 4.320 -0.001 0.000 0.221 259 K C 0.921 177.566 176.600 0.075 0.000 1.053 259 K CA 2.270 58.587 56.287 0.051 0.000 0.959 259 K CB -0.076 32.460 32.500 0.060 0.000 0.728 259 K HN 0.734 nan 8.250 nan 0.000 0.447 260 R N 0.615 121.180 120.500 0.109 0.000 2.407 260 R HA 0.371 4.710 4.340 -0.001 0.000 0.298 260 R C -2.750 173.699 176.300 0.248 0.000 1.166 260 R CA -1.818 54.382 56.100 0.166 0.000 1.006 260 R CB 1.534 31.952 30.300 0.197 0.000 1.145 260 R HN 0.075 nan 8.270 nan 0.000 0.538 261 P HA 0.489 nan 4.420 nan 0.000 0.289 261 P C 0.132 177.660 177.300 0.380 0.000 1.299 261 P CA 0.298 63.568 63.100 0.282 0.000 0.766 261 P CB 1.196 32.999 31.700 0.172 0.000 1.226 262 G N -2.090 107.003 108.800 0.487 0.000 2.298 262 G HA2 0.069 4.029 3.960 -0.001 0.000 0.309 262 G HA3 0.069 4.029 3.960 -0.001 0.000 0.309 262 G C -1.483 173.607 174.900 0.316 0.000 1.279 262 G CA -0.486 44.871 45.100 0.430 0.000 1.042 262 G HN 0.454 nan 8.290 nan 0.000 0.480 263 V N 0.242 120.110 119.914 -0.076 0.000 2.612 263 V HA 0.743 4.862 4.120 -0.001 0.000 0.301 263 V C -0.873 174.958 176.094 -0.439 0.000 1.046 263 V CA -0.345 61.846 62.300 -0.182 0.000 0.946 263 V CB 1.331 33.038 31.823 -0.193 0.000 1.003 263 V HN 0.692 nan 8.190 nan 0.000 0.459 264 Y N 1.182 121.427 120.300 -0.092 0.000 2.315 264 Y HA 0.315 4.865 4.550 -0.001 0.000 0.324 264 Y C 0.103 175.900 175.900 -0.171 0.000 1.062 264 Y CA -0.743 57.250 58.100 -0.179 0.000 1.159 264 Y CB 1.440 39.723 38.460 -0.295 0.000 1.145 264 Y HN 0.696 nan 8.280 nan 0.000 0.442 265 E N 5.046 125.209 120.200 -0.062 0.000 2.159 265 E HA 0.350 4.699 4.350 -0.001 0.000 0.272 265 E C -1.169 175.281 176.600 -0.249 0.000 1.138 265 E CA 0.212 56.554 56.400 -0.096 0.000 0.915 265 E CB 0.223 29.909 29.700 -0.023 0.000 1.028 265 E HN 0.620 nan 8.360 nan 0.000 0.423 266 L N 5.716 126.870 121.223 -0.116 0.000 2.283 266 L HA 0.604 4.944 4.340 -0.001 0.000 0.259 266 L C -2.254 174.573 176.870 -0.071 0.000 1.027 266 L CA -2.587 52.182 54.840 -0.118 0.000 0.828 266 L CB 2.277 44.347 42.059 0.018 0.000 1.380 266 L HN 0.497 nan 8.230 nan 0.000 0.425 267 P HA 0.128 nan 4.420 nan 0.000 0.287 267 P C -0.570 176.699 177.300 -0.052 0.000 1.281 267 P CA -0.609 62.387 63.100 -0.173 0.000 0.781 267 P CB 1.275 32.800 31.700 -0.293 0.000 0.903 268 M N 4.001 123.560 119.600 -0.068 0.000 2.603 268 M HA 0.130 4.610 4.480 -0.001 0.000 0.399 268 M C 1.183 177.463 176.300 -0.035 0.000 1.745 268 M CA 1.942 57.249 55.300 0.011 0.000 1.055 268 M CB -1.590 30.966 32.600 -0.074 0.000 2.144 268 M HN 0.815 nan 8.290 nan 0.000 0.483 269 G N 1.716 110.505 108.800 -0.019 0.000 2.624 269 G HA2 -0.177 3.782 3.960 -0.001 0.000 0.190 269 G HA3 -0.177 3.782 3.960 -0.001 0.000 0.190 269 G C 0.322 175.125 174.900 -0.162 0.000 1.008 269 G CA 0.061 45.090 45.100 -0.117 0.000 0.731 269 G HN 0.975 nan 8.290 nan 0.000 0.478 270 T N 0.754 115.200 114.554 -0.181 0.000 2.716 270 T HA 0.436 4.785 4.350 -0.001 0.000 0.335 270 T C 0.874 175.417 174.700 -0.262 0.000 1.081 270 T CA 1.617 63.598 62.100 -0.198 0.000 1.073 270 T CB 0.962 69.712 68.868 -0.197 0.000 0.993 270 T HN 1.493 nan 8.240 nan 0.000 0.547 271 T N 0.388 114.847 114.554 -0.157 0.000 2.929 271 T HA 0.450 4.799 4.350 -0.001 0.000 0.284 271 T C 0.887 175.526 174.700 -0.102 0.000 1.014 271 T CA -0.866 61.187 62.100 -0.079 0.000 1.051 271 T CB 0.666 69.554 68.868 0.033 0.000 1.028 271 T HN 0.493 nan 8.240 nan 0.000 0.485 272 F N 0.681 120.582 119.950 -0.082 0.000 2.216 272 F HA 0.081 4.607 4.527 -0.001 0.000 0.300 272 F C 2.760 178.565 175.800 0.008 0.000 1.085 272 F CA 1.197 59.166 58.000 -0.051 0.000 1.326 272 F CB -0.587 38.409 39.000 -0.007 0.000 1.027 272 F HN 0.622 nan 8.300 nan 0.000 0.497 273 R N 0.808 121.451 120.500 0.239 0.000 2.103 273 R HA -0.267 4.072 4.340 -0.001 0.000 0.234 273 R C 2.272 178.698 176.300 0.210 0.000 1.132 273 R CA 2.256 58.504 56.100 0.247 0.000 0.925 273 R CB -0.647 29.748 30.300 0.159 0.000 0.842 273 R HN 0.395 nan 8.270 nan 0.000 0.430 274 E N 0.349 120.614 120.200 0.107 0.000 2.026 274 E HA -0.289 4.060 4.350 -0.001 0.000 0.206 274 E C 2.154 178.814 176.600 0.100 0.000 1.028 274 E CA 1.969 58.409 56.400 0.067 0.000 0.845 274 E CB -0.364 29.376 29.700 0.067 0.000 0.772 274 E HN 0.437 nan 8.360 nan 0.000 0.462 275 L N 0.547 121.820 121.223 0.083 0.000 2.021 275 L HA -0.251 4.089 4.340 -0.001 0.000 0.215 275 L C 2.505 179.347 176.870 -0.048 0.000 1.074 275 L CA 1.666 56.521 54.840 0.025 0.000 0.760 275 L CB -0.249 41.695 42.059 -0.193 0.000 0.889 275 L HN 0.353 nan 8.230 nan 0.000 0.433 276 I N -1.959 118.590 120.570 -0.035 0.000 2.252 276 I HA -0.311 3.858 4.170 -0.001 0.000 0.245 276 I C 1.918 177.878 176.117 -0.262 0.000 1.102 276 I CA 1.460 62.672 61.300 -0.147 0.000 1.385 276 I CB -0.292 37.608 38.000 -0.166 0.000 1.064 276 I HN 0.247 nan 8.210 nan 0.000 0.414 277 Y N 0.090 120.404 120.300 0.025 0.000 2.259 277 Y HA -0.005 4.545 4.550 -0.001 0.000 0.285 277 Y C 2.561 178.417 175.900 -0.074 0.000 1.130 277 Y CA 0.493 58.590 58.100 -0.005 0.000 1.144 277 Y CB -0.735 37.725 38.460 -0.001 0.000 1.093 277 Y HN -0.062 nan 8.280 nan 0.000 0.507 278 E N -0.422 119.794 120.200 0.026 0.000 2.086 278 E HA -0.290 4.059 4.350 -0.001 0.000 0.205 278 E C 1.631 178.008 176.600 -0.372 0.000 1.027 278 E CA 2.507 58.749 56.400 -0.263 0.000 0.830 278 E CB -0.294 29.129 29.700 -0.462 0.000 0.751 278 E HN 0.515 nan 8.360 nan 0.000 0.456 279 W N -0.901 120.338 121.300 -0.101 0.000 2.644 279 W HA 0.262 4.921 4.660 -0.001 0.000 0.279 279 W C 2.287 178.653 176.519 -0.256 0.000 1.164 279 W CA 0.287 57.511 57.345 -0.202 0.000 1.457 279 W CB -0.233 28.926 29.460 -0.502 0.000 1.087 279 W HN 0.018 nan 8.180 nan 0.000 0.573 280 A N 0.201 122.952 122.820 -0.114 0.000 2.119 280 A HA 0.327 4.646 4.320 -0.001 0.000 0.217 280 A C 1.845 179.456 177.584 0.044 0.000 1.153 280 A CA 1.360 53.369 52.037 -0.047 0.000 0.692 280 A CB -1.145 17.799 19.000 -0.094 0.000 0.799 280 A HN 0.689 nan 8.150 nan 0.000 0.458 281 G N -2.407 106.418 108.800 0.042 0.000 2.132 281 G HA2 0.289 4.249 3.960 -0.001 0.000 0.234 281 G HA3 0.289 4.249 3.960 -0.001 0.000 0.234 281 G C 1.269 176.224 174.900 0.090 0.000 0.989 281 G CA 0.425 45.571 45.100 0.076 0.000 0.676 281 G HN 2.394 nan 8.290 nan 0.000 0.522 282 G N -1.404 107.404 108.800 0.014 0.000 2.733 282 G HA2 0.228 4.188 3.960 -0.001 0.000 0.686 282 G HA3 0.228 4.188 3.960 -0.001 0.000 0.686 282 G C -1.782 173.078 174.900 -0.066 0.000 1.373 282 G CA -0.029 45.050 45.100 -0.035 0.000 0.838 282 G HN 0.806 nan 8.290 nan 0.000 0.588 283 P HA 0.374 nan 4.420 nan 0.000 0.271 283 P C 0.997 178.296 177.300 -0.002 0.000 1.233 283 P CA -0.334 62.724 63.100 -0.069 0.000 0.789 283 P CB 0.417 32.069 31.700 -0.081 0.000 0.951 284 L N -0.705 120.509 121.223 -0.016 0.000 2.664 284 L HA 0.320 4.660 4.340 -0.001 0.000 0.233 284 L C 0.840 177.712 176.870 0.005 0.000 1.113 284 L CA 0.597 55.441 54.840 0.006 0.000 0.896 284 L CB 0.081 42.142 42.059 0.003 0.000 1.163 284 L HN 0.435 nan 8.230 nan 0.000 0.497 285 E N -1.453 118.740 120.200 -0.012 0.000 2.439 285 E HA 0.323 4.673 4.350 -0.001 0.000 0.279 285 E C -2.618 173.966 176.600 -0.027 0.000 1.077 285 E CA -1.749 54.645 56.400 -0.009 0.000 0.849 285 E CB 2.056 31.745 29.700 -0.017 0.000 1.408 285 E HN -0.255 nan 8.360 nan 0.000 0.457 286 P HA 0.148 nan 4.420 nan 0.000 0.268 286 P C -1.062 176.174 177.300 -0.106 0.000 1.205 286 P CA -0.011 63.083 63.100 -0.010 0.000 0.771 286 P CB 0.409 32.131 31.700 0.036 0.000 0.858 287 I N 2.099 122.523 120.570 -0.243 0.000 2.562 287 I HA 0.238 4.407 4.170 -0.001 0.000 0.301 287 I C 1.306 177.310 176.117 -0.188 0.000 1.003 287 I CA -0.111 60.923 61.300 -0.443 0.000 1.127 287 I CB 1.789 39.103 38.000 -1.144 0.000 1.304 287 I HN 0.449 nan 8.210 nan 0.000 0.446 288 Q N 4.128 123.890 119.800 -0.063 0.000 2.369 288 Q HA 0.711 5.050 4.340 -0.001 0.000 0.254 288 Q C -0.045 176.106 176.000 0.252 0.000 0.858 288 Q CA -0.110 55.786 55.803 0.156 0.000 0.961 288 Q CB 1.069 29.902 28.738 0.158 0.000 1.119 288 Q HN 0.576 nan 8.270 nan 0.000 0.538 289 A N 1.469 124.357 122.820 0.114 0.000 2.604 289 A HA 0.654 4.973 4.320 -0.001 0.000 0.295 289 A C -1.511 176.116 177.584 0.072 0.000 1.067 289 A CA -0.966 51.173 52.037 0.171 0.000 0.683 289 A CB 1.319 20.444 19.000 0.208 0.000 1.281 289 A HN 0.453 nan 8.150 nan 0.000 0.407 290 I N -0.632 119.999 120.570 0.102 0.000 2.498 290 I HA 0.676 4.845 4.170 -0.001 0.000 0.290 290 I C -1.114 175.058 176.117 0.092 0.000 1.032 290 I CA -0.854 60.497 61.300 0.085 0.000 1.073 290 I CB 1.719 39.795 38.000 0.127 0.000 1.251 290 I HN 0.489 nan 8.210 nan 0.000 0.426 291 I N 7.910 128.543 120.570 0.104 0.000 2.281 291 I HA 0.328 4.497 4.170 -0.001 0.000 0.293 291 I C -2.063 174.158 176.117 0.173 0.000 1.085 291 I CA -1.716 59.657 61.300 0.122 0.000 1.257 291 I CB 0.523 38.582 38.000 0.099 0.000 1.430 291 I HN 0.399 nan 8.210 nan 0.000 0.489 292 P HA 0.165 nan 4.420 nan 0.000 0.276 292 P C 0.818 178.241 177.300 0.205 0.000 1.252 292 P CA 0.474 63.769 63.100 0.325 0.000 0.802 292 P CB 1.584 33.513 31.700 0.381 0.000 1.035 293 G N 1.136 110.042 108.800 0.177 0.000 5.218 293 G HA2 -0.184 3.775 3.960 -0.001 0.000 0.342 293 G HA3 -0.184 3.775 3.960 -0.001 0.000 0.342 293 G C 0.384 175.351 174.900 0.112 0.000 1.391 293 G CA 0.663 45.824 45.100 0.102 0.000 1.096 293 G HN 0.992 nan 8.290 nan 0.000 0.831 294 G N -2.670 106.209 108.800 0.130 0.000 2.619 294 G HA2 0.624 4.583 3.960 -0.001 0.000 0.305 294 G HA3 0.624 4.583 3.960 -0.001 0.000 0.305 294 G C 0.597 175.585 174.900 0.147 0.000 1.330 294 G CA 1.094 46.278 45.100 0.139 0.000 0.789 294 G HN 1.364 nan 8.290 nan 0.000 0.487 295 S N -0.665 115.114 115.700 0.132 0.000 2.368 295 S HA -0.088 4.381 4.470 -0.001 0.000 0.225 295 S C 2.032 176.799 174.600 0.278 0.000 1.030 295 S CA 2.263 60.543 58.200 0.133 0.000 0.999 295 S CB -0.448 62.741 63.200 -0.018 0.000 0.844 295 S HN 0.589 nan 8.310 nan 0.000 0.459 296 S N 1.835 117.749 115.700 0.356 0.000 2.894 296 S HA 0.080 4.549 4.470 -0.001 0.000 0.231 296 S C 0.491 175.287 174.600 0.328 0.000 0.971 296 S CA 0.591 59.033 58.200 0.404 0.000 1.005 296 S CB -0.733 62.736 63.200 0.449 0.000 0.799 296 S HN 0.840 nan 8.310 nan 0.000 0.527 297 T N -0.892 113.807 114.554 0.242 0.000 2.907 297 T HA 0.546 4.896 4.350 -0.001 0.000 0.292 297 T C -3.531 171.268 174.700 0.165 0.000 1.043 297 T CA -2.829 59.370 62.100 0.165 0.000 1.003 297 T CB 1.812 70.744 68.868 0.107 0.000 1.084 297 T HN -0.273 nan 8.240 nan 0.000 0.483 298 P HA 0.232 nan 4.420 nan 0.000 0.267 298 P C -2.295 175.101 177.300 0.160 0.000 1.205 298 P CA -0.940 62.255 63.100 0.157 0.000 0.765 298 P CB -0.222 31.542 31.700 0.107 0.000 0.828 299 P HA 0.188 nan 4.420 nan 0.000 0.274 299 P C -0.822 176.596 177.300 0.197 0.000 1.256 299 P CA 0.171 63.381 63.100 0.183 0.000 0.795 299 P CB 0.924 32.736 31.700 0.186 0.000 1.038 300 L N 0.543 121.835 121.223 0.114 0.000 2.422 300 L HA 0.457 4.796 4.340 -0.001 0.000 0.264 300 L C -2.505 174.362 176.870 -0.005 0.000 0.984 300 L CA -2.796 52.032 54.840 -0.020 0.000 0.819 300 L CB 2.429 44.425 42.059 -0.105 0.000 1.330 300 L HN 0.144 nan 8.230 nan 0.000 0.410 301 P HA -0.045 nan 4.420 nan 0.000 0.269 301 P C -0.650 176.686 177.300 0.059 0.000 1.209 301 P CA -0.080 62.990 63.100 -0.049 0.000 0.776 301 P CB 0.288 31.812 31.700 -0.293 0.000 0.876 302 F N 3.500 123.447 119.950 -0.006 0.000 2.661 302 F HA 0.178 4.705 4.527 -0.001 0.000 0.356 302 F C 0.582 176.374 175.800 -0.014 0.000 1.244 302 F CA -0.034 57.962 58.000 -0.007 0.000 1.290 302 F CB -0.938 38.083 39.000 0.034 0.000 1.677 302 F HN 0.114 nan 8.300 nan 0.000 0.649 303 T N -0.233 114.194 114.554 -0.210 0.000 2.950 303 T HA 0.299 4.648 4.350 -0.001 0.000 0.288 303 T C 1.163 175.698 174.700 -0.274 0.000 1.035 303 T CA -0.663 61.305 62.100 -0.220 0.000 1.028 303 T CB 1.514 70.298 68.868 -0.141 0.000 1.109 303 T HN 0.290 nan 8.240 nan 0.000 0.514 304 E N 0.933 121.010 120.200 -0.205 0.000 2.012 304 E HA -0.197 4.153 4.350 -0.001 0.000 0.197 304 E C 1.783 178.306 176.600 -0.128 0.000 1.007 304 E CA 1.758 58.057 56.400 -0.168 0.000 0.816 304 E CB -0.510 29.122 29.700 -0.114 0.000 0.762 304 E HN 0.956 nan 8.360 nan 0.000 0.451 305 E N 0.597 120.736 120.200 -0.101 0.000 2.208 305 E HA -0.205 4.144 4.350 -0.001 0.000 0.202 305 E C 2.018 178.566 176.600 -0.087 0.000 1.014 305 E CA 1.749 58.104 56.400 -0.074 0.000 0.819 305 E CB 0.160 29.823 29.700 -0.063 0.000 0.735 305 E HN 0.089 nan 8.360 nan 0.000 0.469 306 V N 0.460 120.289 119.914 -0.141 0.000 2.273 306 V HA -0.214 3.906 4.120 -0.001 0.000 0.242 306 V C 2.491 178.473 176.094 -0.187 0.000 1.035 306 V CA 1.372 63.550 62.300 -0.202 0.000 1.013 306 V CB -0.740 30.928 31.823 -0.258 0.000 0.652 306 V HN 0.269 nan 8.190 nan 0.000 0.452 307 L N 0.236 121.363 121.223 -0.160 0.000 2.197 307 L HA -0.227 4.112 4.340 -0.001 0.000 0.215 307 L C 1.791 178.697 176.870 0.059 0.000 1.095 307 L CA 1.557 56.376 54.840 -0.036 0.000 0.764 307 L CB -0.545 41.460 42.059 -0.091 0.000 0.897 307 L HN 0.423 nan 8.230 nan 0.000 0.436 308 D N -0.813 119.593 120.400 0.011 0.000 2.336 308 D HA 0.061 4.700 4.640 -0.001 0.000 0.228 308 D C 0.325 176.666 176.300 0.068 0.000 1.120 308 D CA 0.237 54.260 54.000 0.037 0.000 0.839 308 D CB 0.302 41.104 40.800 0.004 0.000 0.932 308 D HN 0.202 nan 8.370 nan 0.000 0.509 309 T N 1.713 116.335 114.554 0.113 0.000 2.882 309 T HA 0.301 4.651 4.350 -0.001 0.000 0.287 309 T C -2.508 172.336 174.700 0.240 0.000 0.992 309 T CA -1.439 60.758 62.100 0.161 0.000 1.076 309 T CB 1.959 70.885 68.868 0.097 0.000 0.961 309 T HN -0.136 nan 8.240 nan 0.000 0.490 310 P HA 0.234 nan 4.420 nan 0.000 0.280 310 P C -0.195 177.100 177.300 -0.008 0.000 1.300 310 P CA -0.241 62.789 63.100 -0.117 0.000 0.785 310 P CB 0.130 31.465 31.700 -0.608 0.000 0.874 311 M N 3.015 122.543 119.600 -0.121 0.000 2.922 311 M HA 0.117 4.596 4.480 -0.001 0.000 0.294 311 M C 0.147 176.464 176.300 0.029 0.000 1.556 311 M CA 0.801 56.023 55.300 -0.130 0.000 1.568 311 M CB -0.948 31.323 32.600 -0.548 0.000 1.462 311 M HN 0.326 nan 8.290 nan 0.000 0.489 312 S N 0.586 116.337 115.700 0.085 0.000 2.579 312 S HA 0.425 4.894 4.470 -0.001 0.000 0.272 312 S C -0.332 174.352 174.600 0.140 0.000 1.141 312 S CA -1.017 57.267 58.200 0.139 0.000 0.843 312 S CB 0.764 64.059 63.200 0.159 0.000 1.122 312 S HN 0.500 nan 8.310 nan 0.000 0.468 313 Y N 1.845 122.191 120.300 0.077 0.000 2.618 313 Y HA 0.090 4.639 4.550 -0.001 0.000 0.351 313 Y C 1.653 177.583 175.900 0.051 0.000 1.221 313 Y CA 0.738 58.870 58.100 0.054 0.000 1.248 313 Y CB -0.901 37.572 38.460 0.022 0.000 1.119 313 Y HN 0.857 nan 8.280 nan 0.000 0.483 314 E N -3.332 116.988 120.200 0.199 0.000 3.777 314 E HA -0.009 4.340 4.350 -0.001 0.000 0.247 314 E C 1.031 177.675 176.600 0.073 0.000 1.256 314 E CA -0.016 56.454 56.400 0.118 0.000 1.786 314 E CB -0.388 29.380 29.700 0.113 0.000 1.722 314 E HN 0.320 nan 8.360 nan 0.000 0.810 315 H N 1.360 120.461 119.070 0.053 0.000 2.460 315 H HA 0.021 4.577 4.556 -0.001 0.000 0.297 315 H C 1.992 177.349 175.328 0.049 0.000 1.103 315 H CA 1.612 57.689 56.048 0.049 0.000 1.292 315 H CB 0.027 29.828 29.762 0.066 0.000 1.376 315 H HN 0.103 nan 8.280 nan 0.000 0.531 316 L N -0.589 120.734 121.223 0.166 0.000 2.298 316 L HA -0.071 4.268 4.340 -0.001 0.000 0.209 316 L C 2.447 179.336 176.870 0.033 0.000 1.084 316 L CA 0.498 55.400 54.840 0.102 0.000 0.816 316 L CB -0.124 42.005 42.059 0.117 0.000 0.967 316 L HN 0.221 nan 8.230 nan 0.000 0.460 317 Q N 1.353 121.167 119.800 0.023 0.000 1.975 317 Q HA -0.193 4.147 4.340 -0.001 0.000 0.205 317 Q C 2.067 178.052 176.000 -0.025 0.000 0.990 317 Q CA 2.588 58.383 55.803 -0.014 0.000 0.845 317 Q CB -0.509 28.230 28.738 0.001 0.000 0.913 317 Q HN 0.343 nan 8.270 nan 0.000 0.420 318 A N -0.425 122.379 122.820 -0.027 0.000 2.225 318 A HA -0.075 4.245 4.320 -0.001 0.000 0.215 318 A C 1.751 179.319 177.584 -0.026 0.000 1.164 318 A CA 1.485 53.499 52.037 -0.039 0.000 0.710 318 A CB -0.424 18.534 19.000 -0.071 0.000 0.780 318 A HN 0.275 nan 8.150 nan 0.000 0.473 319 K N -1.229 119.165 120.400 -0.009 0.000 2.417 319 K HA 0.303 4.622 4.320 -0.001 0.000 0.196 319 K C 1.109 177.715 176.600 0.009 0.000 1.023 319 K CA 0.808 57.094 56.287 -0.001 0.000 1.122 319 K CB -0.171 32.332 32.500 0.005 0.000 0.850 319 K HN 0.565 nan 8.250 nan 0.000 0.521 320 G N -1.195 107.604 108.800 -0.001 0.000 2.475 320 G HA2 -0.301 3.659 3.960 -0.001 0.000 0.209 320 G HA3 -0.301 3.659 3.960 -0.001 0.000 0.209 320 G C 0.675 175.565 174.900 -0.017 0.000 1.127 320 G CA 0.310 45.415 45.100 0.008 0.000 0.681 320 G HN 0.401 nan 8.290 nan 0.000 0.517 321 S N 0.200 115.896 115.700 -0.007 0.000 2.666 321 S HA 0.885 5.355 4.470 -0.001 0.000 0.230 321 S C 0.260 174.818 174.600 -0.070 0.000 1.146 321 S CA 1.126 59.308 58.200 -0.030 0.000 1.162 321 S CB 0.169 63.382 63.200 0.022 0.000 1.085 321 S HN 1.601 nan 8.310 nan 0.000 0.514 322 M N 0.544 120.120 119.600 -0.041 0.000 2.822 322 M HA 0.430 4.909 4.480 -0.001 0.000 0.275 322 M C -1.992 174.291 176.300 -0.029 0.000 1.084 322 M CA -0.675 54.590 55.300 -0.058 0.000 0.814 322 M CB 1.227 33.747 32.600 -0.134 0.000 1.693 322 M HN 0.546 nan 8.290 nan 0.000 0.531 323 L N 1.141 122.307 121.223 -0.096 0.000 2.360 323 L HA 1.039 5.379 4.340 -0.001 0.000 0.271 323 L C -0.380 176.367 176.870 -0.204 0.000 1.057 323 L CA 0.061 54.816 54.840 -0.143 0.000 0.803 323 L CB 1.787 43.687 42.059 -0.264 0.000 1.207 323 L HN 1.027 nan 8.230 nan 0.000 0.445 324 G N 0.551 109.282 108.800 -0.113 0.000 2.139 324 G HA2 0.373 4.333 3.960 -0.001 0.000 0.315 324 G HA3 0.373 4.333 3.960 -0.001 0.000 0.315 324 G C -0.023 174.882 174.900 0.008 0.000 1.599 324 G CA 0.365 45.438 45.100 -0.045 0.000 0.960 324 G HN 1.214 nan 8.290 nan 0.000 0.615 325 T N -1.139 113.416 114.554 0.000 0.000 7.578 325 T HA -0.149 4.200 4.350 -0.001 0.000 0.299 325 T C 2.698 177.376 174.700 -0.036 0.000 2.097 325 T CA 2.127 64.227 62.100 -0.000 0.000 3.248 325 T CB -1.516 67.385 68.868 0.056 0.000 2.014 325 T HN 2.842 nan 8.240 nan 0.000 1.198 326 G N 0.997 109.773 108.800 -0.040 0.000 2.320 326 G HA2 -0.042 3.917 3.960 -0.001 0.000 0.291 326 G HA3 -0.042 3.917 3.960 -0.001 0.000 0.291 326 G C 0.702 175.662 174.900 0.100 0.000 0.994 326 G CA 0.561 45.681 45.100 0.034 0.000 0.760 326 G HN 2.122 nan 8.290 nan 0.000 0.514 327 G N -0.430 108.417 108.800 0.079 0.000 2.519 327 G HA2 0.528 4.487 3.960 -0.001 0.000 0.306 327 G HA3 0.528 4.487 3.960 -0.001 0.000 0.306 327 G C 0.156 175.154 174.900 0.163 0.000 0.965 327 G CA -0.012 45.159 45.100 0.117 0.000 1.291 327 G HN 0.611 nan 8.290 nan 0.000 0.450 328 V N 3.672 123.693 119.914 0.178 0.000 2.743 328 V HA 0.505 4.625 4.120 -0.001 0.000 0.301 328 V C 0.370 176.565 176.094 0.167 0.000 1.057 328 V CA -0.392 62.021 62.300 0.188 0.000 1.006 328 V CB 1.560 33.502 31.823 0.199 0.000 1.024 328 V HN 0.557 nan 8.190 nan 0.000 0.473 329 I N 4.053 124.702 120.570 0.130 0.000 2.571 329 I HA 0.400 4.569 4.170 -0.001 0.000 0.289 329 I C -0.949 175.192 176.117 0.039 0.000 1.115 329 I CA -0.418 60.928 61.300 0.077 0.000 1.045 329 I CB 2.050 40.079 38.000 0.049 0.000 1.238 329 I HN 0.338 nan 8.210 nan 0.000 0.424 330 L N 6.602 127.822 121.223 -0.006 0.000 2.289 330 L HA 0.584 4.923 4.340 -0.001 0.000 0.285 330 L C -0.518 176.294 176.870 -0.095 0.000 1.049 330 L CA -0.524 54.271 54.840 -0.075 0.000 0.804 330 L CB 1.398 43.374 42.059 -0.138 0.000 1.195 330 L HN 0.417 nan 8.230 nan 0.000 0.428 331 I N 4.911 125.413 120.570 -0.114 0.000 2.406 331 I HA 0.360 4.529 4.170 -0.001 0.000 0.290 331 I C -2.206 173.832 176.117 -0.131 0.000 0.999 331 I CA -2.054 59.182 61.300 -0.108 0.000 1.124 331 I CB 2.300 40.242 38.000 -0.097 0.000 1.289 331 I HN 0.352 nan 8.210 nan 0.000 0.441 332 P HA 0.143 nan 4.420 nan 0.000 0.280 332 P C -0.012 177.254 177.300 -0.057 0.000 1.244 332 P CA -0.173 62.870 63.100 -0.094 0.000 0.784 332 P CB 1.076 32.732 31.700 -0.073 0.000 0.913 333 E N 1.786 121.967 120.200 -0.030 0.000 2.331 333 E HA -0.193 4.157 4.350 -0.001 0.000 0.199 333 E C 1.783 178.384 176.600 0.001 0.000 1.008 333 E CA 0.835 57.239 56.400 0.008 0.000 0.843 333 E CB -0.094 29.628 29.700 0.036 0.000 0.761 333 E HN 0.448 nan 8.360 nan 0.000 0.507 334 R N 0.384 120.876 120.500 -0.013 0.000 2.280 334 R HA -0.002 4.337 4.340 -0.001 0.000 0.207 334 R C -0.003 176.287 176.300 -0.017 0.000 1.043 334 R CA 0.300 56.395 56.100 -0.009 0.000 1.006 334 R CB 0.435 30.729 30.300 -0.011 0.000 0.885 334 R HN -0.087 nan 8.270 nan 0.000 0.467 335 V N -0.405 119.490 119.914 -0.032 0.000 2.769 335 V HA 0.182 4.301 4.120 -0.001 0.000 0.312 335 V C -0.259 175.805 176.094 -0.049 0.000 1.061 335 V CA -0.885 61.390 62.300 -0.042 0.000 0.931 335 V CB 1.849 33.636 31.823 -0.059 0.000 1.010 335 V HN -0.023 nan 8.190 nan 0.000 0.433 336 S N 3.573 119.247 115.700 -0.044 0.000 2.523 336 S HA 0.233 4.702 4.470 -0.001 0.000 0.275 336 S C 1.224 175.764 174.600 -0.100 0.000 1.281 336 S CA -0.571 57.596 58.200 -0.056 0.000 1.050 336 S CB 0.596 63.776 63.200 -0.034 0.000 0.937 336 S HN 0.655 nan 8.310 nan 0.000 0.492 337 M N 4.583 124.085 119.600 -0.164 0.000 2.195 337 M HA -0.093 4.386 4.480 -0.001 0.000 0.260 337 M C 1.826 178.034 176.300 -0.153 0.000 1.066 337 M CA 1.341 56.498 55.300 -0.239 0.000 1.089 337 M CB -1.178 31.144 32.600 -0.463 0.000 1.377 337 M HN 0.663 nan 8.290 nan 0.000 0.411 338 V N -0.013 119.767 119.914 -0.224 0.000 2.270 338 V HA -0.256 3.864 4.120 -0.001 0.000 0.245 338 V C 2.064 178.191 176.094 0.055 0.000 1.043 338 V CA 2.134 64.275 62.300 -0.264 0.000 1.014 338 V CB -0.796 30.799 31.823 -0.380 0.000 0.645 338 V HN 0.336 nan 8.190 nan 0.000 0.447 339 D N 0.241 120.678 120.400 0.061 0.000 2.158 339 D HA -0.177 4.462 4.640 -0.001 0.000 0.197 339 D C 2.085 178.396 176.300 0.019 0.000 0.995 339 D CA 1.671 55.737 54.000 0.110 0.000 0.846 339 D CB -0.130 40.679 40.800 0.015 0.000 0.941 339 D HN 0.385 nan 8.370 nan 0.000 0.456 340 A N 0.084 122.883 122.820 -0.034 0.000 1.858 340 A HA -0.156 4.163 4.320 -0.001 0.000 0.216 340 A C 2.139 179.692 177.584 -0.052 0.000 1.190 340 A CA 1.972 53.971 52.037 -0.065 0.000 0.617 340 A CB -0.483 18.467 19.000 -0.083 0.000 0.827 340 A HN 0.206 nan 8.150 nan 0.000 0.443 341 M N -1.932 117.651 119.600 -0.028 0.000 2.175 341 M HA -0.095 4.385 4.480 -0.001 0.000 0.264 341 M C 1.996 178.035 176.300 -0.435 0.000 1.063 341 M CA 0.389 55.625 55.300 -0.106 0.000 1.119 341 M CB -1.834 30.843 32.600 0.128 0.000 1.377 341 M HN 0.767 nan 8.290 nan 0.000 0.415 342 W N 2.062 122.971 121.300 -0.652 0.000 2.290 342 W HA -0.349 4.310 4.660 -0.001 0.000 0.311 342 W C 2.323 178.609 176.519 -0.389 0.000 1.238 342 W CA 1.488 58.468 57.345 -0.608 0.000 1.255 342 W CB -0.190 29.183 29.460 -0.145 0.000 1.145 342 W HN 0.340 nan 8.180 nan 0.000 0.506 343 N N 0.514 119.196 118.700 -0.031 0.000 2.081 343 N HA -0.198 4.542 4.740 -0.001 0.000 0.191 343 N C 1.939 177.424 175.510 -0.042 0.000 1.053 343 N CA 2.077 55.049 53.050 -0.129 0.000 0.846 343 N CB -0.931 37.444 38.487 -0.187 0.000 1.032 343 N HN 0.227 nan 8.380 nan 0.000 0.431 344 L N 0.857 122.057 121.223 -0.038 0.000 1.991 344 L HA -0.284 4.055 4.340 -0.001 0.000 0.221 344 L C 2.686 179.712 176.870 0.260 0.000 1.079 344 L CA 2.370 57.250 54.840 0.067 0.000 0.778 344 L CB -1.470 40.672 42.059 0.138 0.000 0.893 344 L HN 0.436 nan 8.230 nan 0.000 0.437 345 T N -1.697 112.954 114.554 0.161 0.000 2.665 345 T HA -0.324 4.025 4.350 -0.001 0.000 0.268 345 T C 1.840 176.679 174.700 0.232 0.000 1.035 345 T CA 1.576 63.807 62.100 0.219 0.000 1.151 345 T CB -0.645 68.222 68.868 -0.001 0.000 0.862 345 T HN 0.382 nan 8.240 nan 0.000 0.438 346 R N 0.359 120.974 120.500 0.192 0.000 2.139 346 R HA -0.149 4.191 4.340 -0.001 0.000 0.243 346 R C 2.178 178.566 176.300 0.147 0.000 1.145 346 R CA 1.711 57.941 56.100 0.216 0.000 0.976 346 R CB -0.785 29.628 30.300 0.189 0.000 0.866 346 R HN 0.492 nan 8.270 nan 0.000 0.449 347 F N 0.674 120.577 119.950 -0.078 0.000 2.039 347 F HA -0.148 4.378 4.527 -0.001 0.000 0.294 347 F C 1.563 177.256 175.800 -0.178 0.000 1.130 347 F CA 1.349 59.212 58.000 -0.230 0.000 1.189 347 F CB -0.843 37.887 39.000 -0.450 0.000 0.983 347 F HN -0.067 nan 8.300 nan 0.000 0.471 348 Y N 1.005 121.225 120.300 -0.133 0.000 2.151 348 Y HA -0.243 4.306 4.550 -0.001 0.000 0.284 348 Y C 2.723 178.533 175.900 -0.149 0.000 1.166 348 Y CA 1.534 59.478 58.100 -0.259 0.000 1.163 348 Y CB -1.538 36.920 38.460 -0.002 0.000 0.974 348 Y HN 0.261 nan 8.280 nan 0.000 0.511 349 A N -0.318 122.574 122.820 0.121 0.000 1.859 349 A HA -0.312 4.008 4.320 -0.001 0.000 0.217 349 A C 2.236 179.854 177.584 0.056 0.000 1.198 349 A CA 2.187 54.288 52.037 0.107 0.000 0.629 349 A CB -1.219 17.872 19.000 0.153 0.000 0.830 349 A HN 0.628 nan 8.150 nan 0.000 0.446 350 H N -0.430 118.592 119.070 -0.080 0.000 2.457 350 H HA -0.018 4.538 4.556 -0.001 0.000 0.294 350 H C 1.150 176.381 175.328 -0.162 0.000 1.064 350 H CA 1.605 57.593 56.048 -0.100 0.000 1.330 350 H CB -0.011 29.694 29.762 -0.095 0.000 1.395 350 H HN 0.388 nan 8.280 nan 0.000 0.541 351 E N 0.907 121.066 120.200 -0.068 0.000 2.489 351 E HA -0.008 4.341 4.350 -0.001 0.000 0.193 351 E C 0.828 177.409 176.600 -0.032 0.000 1.057 351 E CA -0.046 56.277 56.400 -0.128 0.000 0.866 351 E CB 0.016 29.357 29.700 -0.599 0.000 0.916 351 E HN 0.251 nan 8.360 nan 0.000 0.500 352 S N -0.324 115.364 115.700 -0.020 0.000 2.587 352 S HA -0.006 4.463 4.470 -0.001 0.000 0.260 352 S C 1.572 176.172 174.600 -0.000 0.000 1.353 352 S CA 0.218 58.428 58.200 0.016 0.000 0.995 352 S CB 0.772 63.981 63.200 0.015 0.000 0.912 352 S HN 0.417 nan 8.310 nan 0.000 0.568 353 C N 0.300 119.607 119.300 0.012 0.000 2.393 353 C HA 0.724 5.183 4.460 -0.001 0.000 0.332 353 C C 1.458 176.442 174.990 -0.011 0.000 1.423 353 C CA 0.570 59.588 59.018 -0.000 0.000 2.097 353 C CB -0.587 27.161 27.740 0.013 0.000 2.274 353 C HN 1.569 nan 8.230 nan 0.000 0.570 354 G N 0.985 109.783 108.800 -0.004 0.000 2.330 354 G HA2 -0.038 3.922 3.960 -0.001 0.000 0.125 354 G HA3 -0.038 3.922 3.960 -0.001 0.000 0.125 354 G C 0.216 175.098 174.900 -0.029 0.000 1.060 354 G CA 0.298 45.388 45.100 -0.017 0.000 0.743 354 G HN 0.573 nan 8.290 nan 0.000 0.480 355 K N -1.031 119.353 120.400 -0.026 0.000 2.344 355 K HA 0.212 4.532 4.320 -0.001 0.000 0.200 355 K C 0.919 177.470 176.600 -0.081 0.000 1.132 355 K CA 0.617 56.858 56.287 -0.076 0.000 0.935 355 K CB 0.412 32.856 32.500 -0.093 0.000 1.089 355 K HN 0.400 nan 8.250 nan 0.000 0.496 356 C N 2.335 121.618 119.300 -0.028 0.000 2.482 356 C HA 0.129 4.588 4.460 -0.001 0.000 0.378 356 C C 1.834 176.815 174.990 -0.015 0.000 1.284 356 C CA -0.484 58.524 59.018 -0.017 0.000 1.826 356 C CB 0.561 28.316 27.740 0.026 0.000 2.473 356 C HN 0.507 nan 8.230 nan 0.000 0.562 357 T N 4.785 119.325 114.554 -0.023 0.000 2.699 357 T HA -0.133 4.216 4.350 -0.001 0.000 0.268 357 T C -0.318 174.385 174.700 0.005 0.000 1.036 357 T CA 1.958 64.050 62.100 -0.013 0.000 1.147 357 T CB -1.003 67.855 68.868 -0.017 0.000 0.862 357 T HN 0.685 nan 8.240 nan 0.000 0.446 358 P HA -0.080 nan 4.420 nan 0.000 0.212 358 P C 2.056 179.368 177.300 0.019 0.000 1.180 358 P CA 1.097 64.206 63.100 0.014 0.000 0.906 358 P CB -0.552 31.148 31.700 0.001 0.000 0.782 359 C N 0.461 119.767 119.300 0.011 0.000 2.425 359 C HA -0.056 4.404 4.460 -0.001 0.000 0.277 359 C C 3.009 178.016 174.990 0.029 0.000 1.280 359 C CA 0.915 59.943 59.018 0.016 0.000 1.744 359 C CB -1.834 25.913 27.740 0.013 0.000 1.989 359 C HN 0.122 nan 8.230 nan 0.000 0.491 360 R N 0.446 120.958 120.500 0.020 0.000 2.092 360 R HA -0.094 4.246 4.340 -0.001 0.000 0.226 360 R C 2.481 178.798 176.300 0.029 0.000 1.140 360 R CA 2.127 58.236 56.100 0.016 0.000 0.910 360 R CB -0.381 29.919 30.300 -0.000 0.000 0.822 360 R HN 0.595 nan 8.270 nan 0.000 0.433 361 E N -0.488 119.729 120.200 0.029 0.000 2.016 361 E HA -0.073 4.276 4.350 -0.001 0.000 0.190 361 E C 2.038 178.696 176.600 0.096 0.000 0.985 361 E CA 1.177 57.603 56.400 0.043 0.000 0.802 361 E CB -0.693 29.021 29.700 0.023 0.000 0.762 361 E HN 0.593 nan 8.360 nan 0.000 0.448 362 G N 2.014 110.874 108.800 0.100 0.000 2.586 362 G HA2 -0.286 3.674 3.960 -0.001 0.000 0.218 362 G HA3 -0.286 3.674 3.960 -0.001 0.000 0.218 362 G C 1.809 176.789 174.900 0.134 0.000 1.216 362 G CA 2.378 47.562 45.100 0.140 0.000 0.786 362 G HN 0.306 nan 8.290 nan 0.000 0.583 363 V N -1.769 118.195 119.914 0.084 0.000 2.599 363 V HA 0.503 4.623 4.120 -0.001 0.000 0.245 363 V C 2.700 178.865 176.094 0.119 0.000 1.046 363 V CA 1.701 64.054 62.300 0.088 0.000 1.065 363 V CB -0.248 31.606 31.823 0.051 0.000 0.703 363 V HN 0.435 nan 8.190 nan 0.000 0.464 364 A N 0.299 123.178 122.820 0.099 0.000 2.132 364 A HA 0.460 4.779 4.320 -0.001 0.000 0.213 364 A C 2.095 179.740 177.584 0.101 0.000 1.154 364 A CA 1.188 53.282 52.037 0.095 0.000 0.753 364 A CB -0.628 18.406 19.000 0.057 0.000 0.826 364 A HN 0.688 nan 8.150 nan 0.000 0.469 365 G N -1.405 107.462 108.800 0.111 0.000 2.789 365 G HA2 0.231 4.191 3.960 -0.001 0.000 0.207 365 G HA3 0.231 4.191 3.960 -0.001 0.000 0.207 365 G C 1.231 176.230 174.900 0.165 0.000 1.153 365 G CA 0.520 45.679 45.100 0.099 0.000 0.847 365 G HN 0.230 nan 8.290 nan 0.000 0.615 366 F N 1.183 121.145 119.950 0.019 0.000 2.012 366 F HA 0.247 4.774 4.527 -0.001 0.000 0.289 366 F C 2.747 178.561 175.800 0.022 0.000 1.185 366 F CA 1.124 59.129 58.000 0.010 0.000 1.149 366 F CB -0.953 38.047 39.000 0.000 0.000 0.994 366 F HN 0.075 nan 8.300 nan 0.000 0.481 367 M N 0.061 119.787 119.600 0.210 0.000 2.758 367 M HA -0.365 4.114 4.480 -0.001 0.000 0.262 367 M C 2.349 178.767 176.300 0.196 0.000 1.052 367 M CA 3.080 58.426 55.300 0.076 0.000 1.059 367 M CB -0.972 31.685 32.600 0.095 0.000 1.265 367 M HN 0.247 nan 8.290 nan 0.000 0.486 368 V N 1.112 121.163 119.914 0.228 0.000 2.313 368 V HA -0.375 3.745 4.120 -0.001 0.000 0.253 368 V C 1.928 178.089 176.094 0.112 0.000 1.070 368 V CA 2.695 65.132 62.300 0.227 0.000 1.057 368 V CB -0.796 31.153 31.823 0.211 0.000 0.653 368 V HN 0.602 nan 8.190 nan 0.000 0.450 369 N N -0.202 118.565 118.700 0.113 0.000 2.188 369 N HA -0.089 4.650 4.740 -0.001 0.000 0.184 369 N C 1.792 177.285 175.510 -0.028 0.000 1.018 369 N CA 1.693 54.768 53.050 0.042 0.000 0.858 369 N CB -0.343 38.200 38.487 0.093 0.000 0.989 369 N HN 0.395 nan 8.380 nan 0.000 0.426 370 L N 0.402 121.629 121.223 0.006 0.000 1.971 370 L HA -0.181 4.159 4.340 -0.001 0.000 0.215 370 L C 2.191 178.914 176.870 -0.244 0.000 1.072 370 L CA 1.551 56.323 54.840 -0.113 0.000 0.758 370 L CB -1.584 40.351 42.059 -0.208 0.000 0.889 370 L HN 0.060 nan 8.230 nan 0.000 0.433 371 F N 0.337 120.102 119.950 -0.308 0.000 2.063 371 F HA -0.294 4.232 4.527 -0.001 0.000 0.298 371 F C 2.642 177.857 175.800 -0.975 0.000 1.109 371 F CA 1.731 59.392 58.000 -0.564 0.000 1.212 371 F CB -0.925 37.700 39.000 -0.625 0.000 0.973 371 F HN 0.113 nan 8.300 nan 0.000 0.480 372 A N -0.383 121.883 122.820 -0.924 0.000 1.884 372 A HA -0.315 4.004 4.320 -0.001 0.000 0.219 372 A C 2.242 179.655 177.584 -0.285 0.000 1.197 372 A CA 2.308 53.887 52.037 -0.762 0.000 0.637 372 A CB -0.930 17.876 19.000 -0.324 0.000 0.827 372 A HN 0.394 nan 8.150 nan 0.000 0.450 373 K N -0.587 119.700 120.400 -0.189 0.000 1.963 373 K HA -0.123 4.197 4.320 -0.001 0.000 0.216 373 K C 2.035 178.575 176.600 -0.100 0.000 1.045 373 K CA 1.608 57.840 56.287 -0.092 0.000 0.954 373 K CB -0.460 32.004 32.500 -0.061 0.000 0.732 373 K HN 0.445 nan 8.250 nan 0.000 0.442 374 I N 0.625 121.116 120.570 -0.131 0.000 2.229 374 I HA -0.222 3.948 4.170 -0.001 0.000 0.250 374 I C 1.584 177.651 176.117 -0.083 0.000 1.096 374 I CA 2.118 63.355 61.300 -0.104 0.000 1.358 374 I CB -0.390 37.530 38.000 -0.133 0.000 1.047 374 I HN 0.429 nan 8.210 nan 0.000 0.422 375 G N -0.861 107.859 108.800 -0.134 0.000 3.181 375 G HA2 0.013 3.972 3.960 -0.001 0.000 0.219 375 G HA3 0.013 3.972 3.960 -0.001 0.000 0.219 375 G C 0.847 175.809 174.900 0.102 0.000 1.182 375 G CA 0.624 45.714 45.100 -0.017 0.000 0.791 375 G HN 0.432 nan 8.290 nan 0.000 0.537 376 T N -0.252 114.334 114.554 0.054 0.000 3.145 376 T HA 0.380 4.729 4.350 -0.001 0.000 0.281 376 T C 1.631 176.360 174.700 0.048 0.000 1.003 376 T CA 0.349 62.500 62.100 0.085 0.000 0.901 376 T CB 0.569 69.491 68.868 0.090 0.000 1.112 376 T HN 0.701 nan 8.240 nan 0.000 0.535 377 G N 2.166 110.984 108.800 0.030 0.000 2.168 377 G HA2 -0.281 3.678 3.960 -0.001 0.000 0.257 377 G HA3 -0.281 3.678 3.960 -0.001 0.000 0.257 377 G C 0.838 175.747 174.900 0.016 0.000 0.997 377 G CA 0.242 45.356 45.100 0.022 0.000 0.708 377 G HN 0.453 nan 8.290 nan 0.000 0.520 378 Q N -0.257 119.550 119.800 0.010 0.000 2.319 378 Q HA 0.223 4.562 4.340 -0.001 0.000 0.202 378 Q C 1.611 177.609 176.000 -0.003 0.000 0.896 378 Q CA 0.737 56.544 55.803 0.007 0.000 0.942 378 Q CB 0.695 29.438 28.738 0.009 0.000 1.083 378 Q HN 0.637 nan 8.270 nan 0.000 0.510 379 G N 0.759 109.552 108.800 -0.011 0.000 2.507 379 G HA2 0.390 4.350 3.960 -0.001 0.000 0.271 379 G HA3 0.390 4.350 3.960 -0.001 0.000 0.271 379 G C -0.563 174.333 174.900 -0.008 0.000 1.189 379 G CA -0.250 44.839 45.100 -0.019 0.000 0.859 379 G HN 0.031 nan 8.290 nan 0.000 0.542 380 E N -0.384 119.810 120.200 -0.010 0.000 2.343 380 E HA 0.161 4.510 4.350 -0.001 0.000 0.270 380 E C 0.430 177.025 176.600 -0.008 0.000 0.895 380 E CA -0.729 55.668 56.400 -0.004 0.000 0.767 380 E CB 2.786 32.484 29.700 -0.003 0.000 1.248 380 E HN 0.663 nan 8.360 nan 0.000 0.440 381 E N 2.164 122.362 120.200 -0.003 0.000 2.164 381 E HA -0.353 3.996 4.350 -0.001 0.000 0.206 381 E C 1.066 177.655 176.600 -0.018 0.000 1.032 381 E CA 2.116 58.512 56.400 -0.006 0.000 0.832 381 E CB 0.129 29.827 29.700 -0.003 0.000 0.742 381 E HN 0.389 nan 8.360 nan 0.000 0.460 382 K N 0.284 120.674 120.400 -0.016 0.000 2.074 382 K HA -0.211 4.109 4.320 -0.001 0.000 0.209 382 K C 1.952 178.532 176.600 -0.033 0.000 1.048 382 K CA 1.689 57.964 56.287 -0.020 0.000 0.926 382 K CB -0.224 32.270 32.500 -0.010 0.000 0.713 382 K HN 0.303 nan 8.250 nan 0.000 0.444 383 D N 0.766 121.146 120.400 -0.034 0.000 2.106 383 D HA -0.166 4.473 4.640 -0.001 0.000 0.191 383 D C 2.130 178.372 176.300 -0.097 0.000 0.997 383 D CA 1.292 55.259 54.000 -0.056 0.000 0.834 383 D CB -0.473 40.295 40.800 -0.054 0.000 0.956 383 D HN -0.049 nan 8.370 nan 0.000 0.448 384 V N 1.709 121.572 119.914 -0.084 0.000 2.222 384 V HA -0.326 3.793 4.120 -0.001 0.000 0.252 384 V C 2.404 178.416 176.094 -0.137 0.000 1.060 384 V CA 2.147 64.378 62.300 -0.114 0.000 1.027 384 V CB -0.661 31.120 31.823 -0.069 0.000 0.644 384 V HN 0.239 nan 8.190 nan 0.000 0.448 385 E N 0.027 120.168 120.200 -0.098 0.000 2.113 385 E HA -0.315 4.034 4.350 -0.001 0.000 0.210 385 E C 2.105 178.636 176.600 -0.115 0.000 1.040 385 E CA 1.861 58.205 56.400 -0.093 0.000 0.847 385 E CB -0.375 29.288 29.700 -0.061 0.000 0.755 385 E HN 0.623 nan 8.360 nan 0.000 0.459 386 N N 0.686 119.316 118.700 -0.117 0.000 2.043 386 N HA -0.183 4.557 4.740 -0.001 0.000 0.193 386 N C 2.010 177.373 175.510 -0.245 0.000 1.037 386 N CA 0.981 53.939 53.050 -0.154 0.000 0.851 386 N CB -0.535 37.876 38.487 -0.126 0.000 1.027 386 N HN 0.092 nan 8.380 nan 0.000 0.422 387 L N 2.140 123.200 121.223 -0.272 0.000 1.990 387 L HA -0.235 4.104 4.340 -0.001 0.000 0.213 387 L C 2.359 179.083 176.870 -0.244 0.000 1.072 387 L CA 2.018 56.670 54.840 -0.314 0.000 0.755 387 L CB -1.117 40.735 42.059 -0.346 0.000 0.889 387 L HN 0.143 nan 8.230 nan 0.000 0.432 388 E N 0.222 120.294 120.200 -0.214 0.000 2.065 388 E HA -0.262 4.088 4.350 -0.001 0.000 0.201 388 E C 1.983 178.502 176.600 -0.134 0.000 1.016 388 E CA 2.138 58.436 56.400 -0.169 0.000 0.818 388 E CB -0.711 28.897 29.700 -0.153 0.000 0.749 388 E HN 0.565 nan 8.360 nan 0.000 0.453 389 A N 0.059 122.800 122.820 -0.132 0.000 2.121 389 A HA -0.014 4.306 4.320 -0.001 0.000 0.218 389 A C 2.283 179.796 177.584 -0.119 0.000 1.154 389 A CA 1.008 52.982 52.037 -0.105 0.000 0.679 389 A CB -0.528 18.419 19.000 -0.088 0.000 0.795 389 A HN 0.376 nan 8.150 nan 0.000 0.458 390 L N -0.585 120.533 121.223 -0.175 0.000 2.072 390 L HA -0.136 4.203 4.340 -0.001 0.000 0.205 390 L C 2.431 179.226 176.870 -0.124 0.000 1.079 390 L CA 0.763 55.487 54.840 -0.193 0.000 0.752 390 L CB -0.477 41.383 42.059 -0.333 0.000 0.906 390 L HN 0.417 nan 8.230 nan 0.000 0.436 391 L N 0.320 121.478 121.223 -0.109 0.000 1.963 391 L HA -0.202 4.137 4.340 -0.001 0.000 0.220 391 L C -0.131 176.702 176.870 -0.062 0.000 1.076 391 L CA 1.647 56.441 54.840 -0.077 0.000 0.772 391 L CB -2.613 39.413 42.059 -0.054 0.000 0.892 391 L HN 0.239 nan 8.230 nan 0.000 0.435 392 P HA -0.213 nan 4.420 nan 0.000 0.218 392 P C 1.792 179.074 177.300 -0.029 0.000 1.146 392 P CA 1.740 64.823 63.100 -0.029 0.000 0.820 392 P CB -0.004 31.682 31.700 -0.024 0.000 0.778 393 L N -1.552 119.649 121.223 -0.038 0.000 2.095 393 L HA -0.061 4.279 4.340 -0.001 0.000 0.204 393 L C 2.823 179.675 176.870 -0.031 0.000 1.080 393 L CA 1.099 55.923 54.840 -0.027 0.000 0.759 393 L CB -0.572 41.474 42.059 -0.022 0.000 0.914 393 L HN -0.127 nan 8.230 nan 0.000 0.439 394 I N -1.142 119.399 120.570 -0.048 0.000 2.260 394 I HA -0.175 3.994 4.170 -0.001 0.000 0.237 394 I C 2.623 178.683 176.117 -0.094 0.000 1.075 394 I CA 0.619 61.882 61.300 -0.062 0.000 1.376 394 I CB -0.521 37.435 38.000 -0.073 0.000 1.107 394 I HN 0.231 nan 8.210 nan 0.000 0.420 395 E N 1.753 121.877 120.200 -0.125 0.000 2.149 395 E HA -0.277 4.072 4.350 -0.001 0.000 0.215 395 E C 1.814 178.347 176.600 -0.112 0.000 1.055 395 E CA 2.201 58.494 56.400 -0.178 0.000 0.870 395 E CB -0.617 29.018 29.700 -0.110 0.000 0.764 395 E HN 0.516 nan 8.360 nan 0.000 0.463 396 G N 1.108 109.880 108.800 -0.046 0.000 2.950 396 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.190 396 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.190 396 G C 0.721 175.609 174.900 -0.018 0.000 1.458 396 G CA 0.784 45.876 45.100 -0.013 0.000 0.800 396 G HN 0.291 nan 8.290 nan 0.000 0.685 397 R N -0.534 119.961 120.500 -0.008 0.000 2.474 397 R HA 0.648 4.988 4.340 -0.001 0.000 0.295 397 R C -0.613 175.689 176.300 0.002 0.000 0.980 397 R CA -0.105 55.998 56.100 0.004 0.000 0.934 397 R CB 1.469 31.781 30.300 0.021 0.000 1.101 397 R HN 0.451 nan 8.270 nan 0.000 0.469 398 S N 1.940 117.654 115.700 0.022 0.000 2.800 398 S HA 0.341 4.810 4.470 -0.001 0.000 0.293 398 S C -0.623 174.059 174.600 0.137 0.000 1.209 398 S CA -0.589 57.639 58.200 0.046 0.000 0.884 398 S CB 0.326 63.523 63.200 -0.006 0.000 1.244 398 S HN 0.495 nan 8.310 nan 0.000 0.540 399 F N 1.684 121.605 119.950 -0.048 0.000 2.383 399 F HA 0.343 4.870 4.527 -0.001 0.000 0.287 399 F C 0.979 176.751 175.800 -0.048 0.000 1.069 399 F CA -0.130 57.842 58.000 -0.048 0.000 1.402 399 F CB -0.040 38.930 39.000 -0.050 0.000 1.116 399 F HN 0.772 nan 8.300 nan 0.000 0.549 400 C N -0.576 118.700 119.300 -0.039 0.000 2.771 400 C HA 0.580 5.039 4.460 -0.001 0.000 0.333 400 C C -1.631 173.317 174.990 -0.070 0.000 1.267 400 C CA -1.801 57.138 59.018 -0.132 0.000 1.721 400 C CB 0.950 28.631 27.740 -0.098 0.000 2.222 400 C HN 0.153 nan 8.230 nan 0.000 0.485 401 P HA -0.024 nan 4.420 nan 0.000 0.231 401 P C 1.558 178.812 177.300 -0.078 0.000 1.158 401 P CA 0.587 63.655 63.100 -0.053 0.000 0.763 401 P CB -0.060 31.669 31.700 0.048 0.000 0.805 402 L N -0.394 120.823 121.223 -0.010 0.000 1.989 402 L HA -0.235 4.105 4.340 -0.001 0.000 0.211 402 L C 2.254 179.058 176.870 -0.111 0.000 1.071 402 L CA 1.855 56.721 54.840 0.044 0.000 0.749 402 L CB -0.888 41.260 42.059 0.148 0.000 0.890 402 L HN -0.018 nan 8.230 nan 0.000 0.431 403 A N -0.011 122.738 122.820 -0.119 0.000 1.896 403 A HA -0.367 3.952 4.320 -0.001 0.000 0.220 403 A C 1.772 179.139 177.584 -0.361 0.000 1.206 403 A CA 2.550 54.479 52.037 -0.179 0.000 0.647 403 A CB -1.163 17.759 19.000 -0.131 0.000 0.828 403 A HN 0.591 nan 8.150 nan 0.000 0.455 404 D N -0.196 119.893 120.400 -0.519 0.000 2.103 404 D HA -0.091 4.549 4.640 -0.001 0.000 0.190 404 D C 2.251 177.915 176.300 -1.060 0.000 0.997 404 D CA 1.964 55.312 54.000 -1.086 0.000 0.833 404 D CB -0.492 39.438 40.800 -1.450 0.000 0.961 404 D HN 0.484 nan 8.370 nan 0.000 0.447 405 A N 0.652 123.113 122.820 -0.599 0.000 1.958 405 A HA -0.195 4.125 4.320 -0.001 0.000 0.221 405 A C 2.244 179.478 177.584 -0.582 0.000 1.178 405 A CA 2.616 54.506 52.037 -0.244 0.000 0.642 405 A CB -0.958 18.027 19.000 -0.025 0.000 0.816 405 A HN 0.282 nan 8.150 nan 0.000 0.453 406 A N -0.672 121.703 122.820 -0.742 0.000 2.016 406 A HA 0.165 4.484 4.320 -0.001 0.000 0.217 406 A C 2.206 179.620 177.584 -0.284 0.000 1.162 406 A CA 1.786 53.384 52.037 -0.731 0.000 0.662 406 A CB -0.722 18.035 19.000 -0.404 0.000 0.812 406 A HN 1.149 nan 8.150 nan 0.000 0.450 407 V N -5.379 114.377 119.914 -0.262 0.000 2.685 407 V HA -0.005 4.114 4.120 -0.001 0.000 0.244 407 V C 2.086 178.202 176.094 0.036 0.000 1.054 407 V CA 0.412 62.642 62.300 -0.117 0.000 1.076 407 V CB -1.174 30.539 31.823 -0.184 0.000 0.725 407 V HN 0.570 nan 8.190 nan 0.000 0.467 408 W N 1.958 123.244 121.300 -0.024 0.000 2.302 408 W HA -0.040 4.620 4.660 -0.001 0.000 0.320 408 W C 0.287 176.834 176.519 0.046 0.000 1.241 408 W CA 2.374 59.725 57.345 0.011 0.000 1.264 408 W CB -2.540 26.928 29.460 0.014 0.000 1.154 408 W HN 0.381 nan 8.180 nan 0.000 0.483 409 P HA -0.131 nan 4.420 nan 0.000 0.218 409 P C 1.667 179.111 177.300 0.239 0.000 1.148 409 P CA 1.944 65.190 63.100 0.244 0.000 0.822 409 P CB -0.135 31.699 31.700 0.223 0.000 0.784 410 V N 0.930 120.979 119.914 0.226 0.000 2.331 410 V HA -0.130 3.990 4.120 -0.001 0.000 0.242 410 V C 2.865 179.055 176.094 0.161 0.000 1.034 410 V CA 1.522 63.976 62.300 0.256 0.000 1.027 410 V CB -1.318 30.675 31.823 0.284 0.000 0.667 410 V HN 0.057 nan 8.190 nan 0.000 0.457 411 K N 0.797 121.275 120.400 0.131 0.000 2.052 411 K HA -0.268 4.051 4.320 -0.001 0.000 0.215 411 K C 2.081 178.727 176.600 0.078 0.000 1.053 411 K CA 2.320 58.659 56.287 0.086 0.000 0.934 411 K CB -0.764 31.825 32.500 0.147 0.000 0.717 411 K HN 0.514 nan 8.250 nan 0.000 0.450 412 G N -0.043 108.840 108.800 0.139 0.000 2.421 412 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.217 412 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.217 412 G C 1.522 176.557 174.900 0.225 0.000 1.143 412 G CA 1.012 46.194 45.100 0.136 0.000 0.784 412 G HN 0.531 nan 8.290 nan 0.000 0.541 413 S N 0.602 116.472 115.700 0.283 0.000 2.370 413 S HA -0.097 4.373 4.470 -0.001 0.000 0.226 413 S C 2.251 177.110 174.600 0.433 0.000 1.033 413 S CA 1.237 59.693 58.200 0.426 0.000 1.011 413 S CB -0.362 63.089 63.200 0.418 0.000 0.852 413 S HN 0.074 nan 8.310 nan 0.000 0.457 414 L N 2.042 123.330 121.223 0.109 0.000 2.005 414 L HA 0.125 4.464 4.340 -0.001 0.000 0.207 414 L C 2.863 179.724 176.870 -0.016 0.000 1.072 414 L CA 1.745 56.535 54.840 -0.084 0.000 0.744 414 L CB -1.392 40.517 42.059 -0.250 0.000 0.895 414 L HN 0.373 nan 8.230 nan 0.000 0.433 415 R N -1.041 119.414 120.500 -0.076 0.000 2.159 415 R HA -0.245 4.095 4.340 -0.001 0.000 0.249 415 R C 2.081 178.204 176.300 -0.295 0.000 1.136 415 R CA 2.082 58.047 56.100 -0.224 0.000 0.951 415 R CB -0.251 29.835 30.300 -0.357 0.000 0.876 415 R HN 0.507 nan 8.270 nan 0.000 0.440 416 H N -2.412 116.630 119.070 -0.048 0.000 2.592 416 H HA 0.055 4.611 4.556 -0.001 0.000 0.265 416 H C 0.263 175.162 175.328 -0.715 0.000 0.955 416 H CA 0.690 56.496 56.048 -0.403 0.000 1.175 416 H CB 0.540 29.943 29.762 -0.599 0.000 1.433 416 H HN 0.232 nan 8.280 nan 0.000 0.537 417 F N -0.485 119.578 119.950 0.188 0.000 2.837 417 F HA 0.262 4.789 4.527 -0.001 0.000 0.328 417 F C 1.706 177.627 175.800 0.202 0.000 1.173 417 F CA -0.583 57.537 58.000 0.199 0.000 1.160 417 F CB 0.366 39.518 39.000 0.252 0.000 1.115 417 F HN -0.189 nan 8.300 nan 0.000 0.512 418 K N 1.288 121.812 120.400 0.206 0.000 2.107 418 K HA -0.250 4.069 4.320 -0.001 0.000 0.211 418 K C 1.346 178.056 176.600 0.183 0.000 1.049 418 K CA 2.430 58.781 56.287 0.107 0.000 0.927 418 K CB -0.083 32.415 32.500 -0.003 0.000 0.714 418 K HN 0.263 nan 8.250 nan 0.000 0.452 419 D N 0.231 120.726 120.400 0.159 0.000 2.160 419 D HA -0.278 4.361 4.640 -0.001 0.000 0.189 419 D C 1.981 178.392 176.300 0.185 0.000 1.003 419 D CA 1.594 55.678 54.000 0.140 0.000 0.846 419 D CB -0.409 40.463 40.800 0.120 0.000 0.949 419 D HN 0.427 nan 8.370 nan 0.000 0.446 420 Q N -0.568 119.388 119.800 0.259 0.000 2.045 420 Q HA -0.212 4.127 4.340 -0.001 0.000 0.206 420 Q C 2.320 178.438 176.000 0.197 0.000 0.991 420 Q CA 1.487 57.422 55.803 0.220 0.000 0.851 420 Q CB -0.165 28.718 28.738 0.242 0.000 0.911 420 Q HN 0.374 nan 8.270 nan 0.000 0.418 421 Y N 0.132 120.487 120.300 0.092 0.000 2.128 421 Y HA -0.258 4.292 4.550 -0.001 0.000 0.284 421 Y C 2.067 177.978 175.900 0.017 0.000 1.154 421 Y CA 1.267 59.392 58.100 0.042 0.000 1.149 421 Y CB -0.391 38.074 38.460 0.009 0.000 0.976 421 Y HN 0.134 nan 8.280 nan 0.000 0.505 422 L N -0.896 120.449 121.223 0.203 0.000 2.012 422 L HA -0.309 4.030 4.340 -0.001 0.000 0.210 422 L C 2.671 179.588 176.870 0.078 0.000 1.073 422 L CA 1.197 56.099 54.840 0.104 0.000 0.748 422 L CB -0.868 41.237 42.059 0.076 0.000 0.891 422 L HN 0.275 nan 8.230 nan 0.000 0.431 423 A N 0.060 122.931 122.820 0.085 0.000 1.869 423 A HA -0.274 4.046 4.320 -0.001 0.000 0.218 423 A C 2.054 179.665 177.584 0.046 0.000 1.203 423 A CA 2.124 54.198 52.037 0.062 0.000 0.638 423 A CB -0.955 18.085 19.000 0.067 0.000 0.831 423 A HN 0.316 nan 8.150 nan 0.000 0.450 424 L N -0.599 120.649 121.223 0.042 0.000 2.187 424 L HA -0.144 4.195 4.340 -0.001 0.000 0.213 424 L C 2.835 179.718 176.870 0.023 0.000 1.100 424 L CA 1.758 56.614 54.840 0.026 0.000 0.765 424 L CB -0.809 41.256 42.059 0.010 0.000 0.904 424 L HN 0.451 nan 8.230 nan 0.000 0.437 425 A N -0.457 122.380 122.820 0.028 0.000 1.844 425 A HA -0.099 4.220 4.320 -0.001 0.000 0.212 425 A C 2.408 180.003 177.584 0.019 0.000 1.221 425 A CA 0.890 52.938 52.037 0.019 0.000 0.607 425 A CB -0.424 18.589 19.000 0.021 0.000 0.878 425 A HN 0.259 nan 8.150 nan 0.000 0.451 426 R N 0.111 120.625 120.500 0.023 0.000 2.139 426 R HA -0.159 4.181 4.340 -0.001 0.000 0.243 426 R C 1.427 177.739 176.300 0.019 0.000 1.145 426 R CA 1.726 57.838 56.100 0.020 0.000 0.976 426 R CB -0.247 30.067 30.300 0.023 0.000 0.866 426 R HN 0.655 nan 8.270 nan 0.000 0.449 427 E N 0.141 120.354 120.200 0.022 0.000 2.474 427 E HA 0.035 4.384 4.350 -0.001 0.000 0.195 427 E C -0.178 176.433 176.600 0.019 0.000 1.039 427 E CA -0.205 56.208 56.400 0.021 0.000 0.881 427 E CB 0.555 30.269 29.700 0.024 0.000 0.970 427 E HN 0.032 nan 8.360 nan 0.000 0.486 428 K N 0.908 121.318 120.400 0.018 0.000 3.016 428 K HA -0.214 4.105 4.320 -0.001 0.000 0.262 428 K C -0.425 176.187 176.600 0.020 0.000 1.043 428 K CA 0.823 57.120 56.287 0.017 0.000 0.761 428 K CB -1.553 30.956 32.500 0.015 0.000 1.230 428 K HN 0.256 nan 8.250 nan 0.000 0.485 429 R N 0.623 121.136 120.500 0.023 0.000 2.474 429 R HA 0.333 4.673 4.340 -0.001 0.000 0.295 429 R C -2.029 174.290 176.300 0.031 0.000 0.980 429 R CA -1.751 54.365 56.100 0.026 0.000 0.934 429 R CB 1.444 31.759 30.300 0.026 0.000 1.101 429 R HN -0.036 nan 8.270 nan 0.000 0.469 430 P HA 0.061 nan 4.420 nan 0.000 0.278 430 P C -0.235 177.099 177.300 0.056 0.000 1.266 430 P CA -0.475 62.658 63.100 0.056 0.000 0.807 430 P CB 0.733 32.470 31.700 0.063 0.000 1.094 431 V N -2.480 117.482 119.914 0.081 0.000 2.999 431 V HA 0.219 4.338 4.120 -0.001 0.000 0.307 431 V C -1.942 174.177 176.094 0.041 0.000 1.084 431 V CA -1.302 61.036 62.300 0.064 0.000 1.155 431 V CB -1.057 30.826 31.823 0.101 0.000 0.975 431 V HN 0.522 nan 8.190 nan 0.000 0.490 432 P HA 0.338 nan 4.420 nan 0.000 0.275 432 P C -0.855 176.445 177.300 0.000 0.000 1.228 432 P CA -0.453 62.654 63.100 0.013 0.000 0.786 432 P CB 0.722 32.428 31.700 0.011 0.000 0.927 433 R N 2.686 123.185 120.500 -0.001 0.000 2.664 433 R HA 0.353 4.692 4.340 -0.001 0.000 0.281 433 R C -1.767 174.529 176.300 -0.006 0.000 1.383 433 R CA -1.386 54.706 56.100 -0.013 0.000 1.563 433 R CB -0.077 30.215 30.300 -0.013 0.000 1.131 433 R HN 0.550 nan 8.270 nan 0.000 0.599 434 P HA 0.160 nan 4.420 nan 0.000 0.277 434 P C -0.290 177.016 177.300 0.011 0.000 1.240 434 P CA -0.398 62.704 63.100 0.004 0.000 0.798 434 P CB 1.217 32.917 31.700 0.001 0.000 0.979 435 S N 1.075 116.793 115.700 0.030 0.000 2.414 435 S HA 0.138 4.607 4.470 -0.001 0.000 0.290 435 S C 0.834 175.480 174.600 0.076 0.000 1.160 435 S CA -0.515 57.723 58.200 0.063 0.000 1.069 435 S CB -0.716 62.526 63.200 0.071 0.000 1.012 435 S HN 0.323 nan 8.310 nan 0.000 0.510 436 L N 5.648 126.925 121.223 0.091 0.000 2.590 436 L HA 0.438 4.777 4.340 -0.001 0.000 0.227 436 L C 0.268 177.258 176.870 0.200 0.000 1.099 436 L CA -0.026 54.871 54.840 0.094 0.000 0.872 436 L CB 0.168 42.242 42.059 0.026 0.000 1.088 436 L HN 0.791 nan 8.230 nan 0.000 0.479 437 W N 0.302 121.582 121.300 -0.033 0.000 2.781 437 W HA 0.694 5.354 4.660 -0.001 0.000 0.345 437 W C -0.498 176.007 176.519 -0.023 0.000 1.085 437 W CA -1.517 55.810 57.345 -0.030 0.000 1.198 437 W CB 0.744 30.183 29.460 -0.035 0.000 1.423 437 W HN -0.196 nan 8.180 nan 0.000 0.532 438 R N 0.000 120.401 120.500 -0.165 0.000 2.786 438 R HA 0.000 4.339 4.340 -0.001 0.000 0.208 438 R CA 0.000 55.909 56.100 -0.318 0.000 0.921 438 R CB 0.000 30.207 30.300 -0.155 0.000 0.687 438 R HN 0.000 nan 8.270 nan 0.000 0.535