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 1tz6_1_B DATA FIRST_RESID 5 DATA SEQUENCE NKVWVIGDAS VDLVPEKQNS YLKCPGGASA NVGVCVARLG GECGFIGCLG DATA SEQUENCE DDDAGRFLRQ VFQDNGVDVT FLRLDADLTS AVLIVNXXXX XXXXFTYLVH DATA SEQUENCE PGADTYVSPQ DLPPFRQYEW FYFSSIGLTD RPAREACLEG ARRMREAGGY DATA SEQUENCE VLFDVNLRSK MWGNTDEIPE LIARSAALAS ICKVSADELC QLSGASHWQD DATA SEQUENCE ARYYLRDLGC DTTIISLGAD GALLITAEGE FHFPAPRVDV VDTTGAGDAF DATA SEQUENCE VGGLLFTLSR ANCWDHALLA EAISNANACG AMAVTAKGAM TALPFPDQLN DATA SEQUENCE TFLSS 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 5 N HA 0.000 nan 4.740 nan 0.000 0.220 5 N C 0.000 175.575 175.510 0.108 0.000 1.280 5 N CA 0.000 53.144 53.050 0.156 0.000 0.885 5 N CB 0.000 38.652 38.487 0.275 0.000 1.341 6 K N 0.909 121.346 120.400 0.063 0.000 2.326 6 K HA 0.366 4.688 4.320 0.003 0.000 0.275 6 K C -0.718 175.825 176.600 -0.094 0.000 1.018 6 K CA -0.176 56.047 56.287 -0.106 0.000 0.962 6 K CB 0.698 33.039 32.500 -0.265 0.000 0.953 6 K HN 0.249 nan 8.250 nan 0.000 0.475 7 V N 5.303 125.096 119.914 -0.203 0.000 2.334 7 V HA 0.231 4.353 4.120 0.003 0.000 0.281 7 V C -1.035 174.947 176.094 -0.185 0.000 1.016 7 V CA -0.706 61.557 62.300 -0.062 0.000 0.832 7 V CB 0.497 32.303 31.823 -0.028 0.000 0.999 7 V HN 0.723 nan 8.190 nan 0.000 0.439 8 W N 3.835 125.237 121.300 0.170 0.000 2.351 8 W HA 0.638 5.300 4.660 0.003 0.000 0.311 8 W C -0.266 176.259 176.519 0.009 0.000 1.168 8 W CA -0.574 56.848 57.345 0.128 0.000 1.200 8 W CB 1.459 31.091 29.460 0.286 0.000 1.221 8 W HN 0.256 nan 8.180 nan 0.000 0.519 9 V N 6.061 126.074 119.914 0.166 0.000 2.444 9 V HA 0.446 4.568 4.120 0.003 0.000 0.294 9 V C -0.503 175.486 176.094 -0.174 0.000 1.022 9 V CA -1.133 61.171 62.300 0.007 0.000 0.850 9 V CB 1.518 33.308 31.823 -0.054 0.000 0.992 9 V HN 0.491 nan 8.190 nan 0.000 0.426 10 I N 4.214 124.680 120.570 -0.173 0.000 2.509 10 I HA 0.920 5.092 4.170 0.003 0.000 0.293 10 I C 0.367 176.419 176.117 -0.109 0.000 1.020 10 I CA 0.412 61.570 61.300 -0.237 0.000 1.088 10 I CB 1.751 39.689 38.000 -0.103 0.000 1.267 10 I HN 0.799 nan 8.210 nan 0.000 0.430 11 G N 6.007 114.716 108.800 -0.152 0.000 2.439 11 G HA2 0.018 3.980 3.960 0.003 0.000 0.186 11 G HA3 0.018 3.980 3.960 0.003 0.000 0.186 11 G C -1.837 173.187 174.900 0.205 0.000 1.260 11 G CA -0.195 44.948 45.100 0.072 0.000 1.020 11 G HN 0.677 nan 8.290 nan 0.000 0.470 12 D N 0.694 121.257 120.400 0.273 0.000 2.210 12 D HA 0.649 5.291 4.640 0.003 0.000 0.249 12 D C -0.028 176.516 176.300 0.407 0.000 1.062 12 D CA 0.197 54.382 54.000 0.308 0.000 0.891 12 D CB 1.738 42.658 40.800 0.200 0.000 1.186 12 D HN 1.408 nan 8.370 nan 0.000 0.432 13 A N 1.306 124.327 122.820 0.335 0.000 2.408 13 A HA 0.606 4.928 4.320 0.003 0.000 0.295 13 A C -0.642 177.003 177.584 0.103 0.000 1.040 13 A CA -0.558 51.595 52.037 0.194 0.000 0.707 13 A CB 1.288 20.365 19.000 0.127 0.000 1.235 13 A HN 0.845 nan 8.150 nan 0.000 0.418 14 S N 0.312 116.039 115.700 0.046 0.000 2.671 14 S HA 0.803 5.275 4.470 0.003 0.000 0.277 14 S C -1.175 173.437 174.600 0.021 0.000 1.165 14 S CA -0.726 57.499 58.200 0.042 0.000 0.822 14 S CB 1.345 64.582 63.200 0.061 0.000 1.150 14 S HN 1.141 nan 8.310 nan 0.000 0.479 15 V N 2.045 121.974 119.914 0.026 0.000 2.398 15 V HA 0.479 4.601 4.120 0.003 0.000 0.286 15 V C -1.036 175.041 176.094 -0.029 0.000 1.026 15 V CA -0.578 61.743 62.300 0.035 0.000 0.868 15 V CB 1.387 33.240 31.823 0.050 0.000 0.982 15 V HN 0.881 nan 8.190 nan 0.000 0.443 16 D N 4.954 125.336 120.400 -0.029 0.000 2.193 16 D HA 0.486 5.128 4.640 0.003 0.000 0.244 16 D C -0.433 175.806 176.300 -0.101 0.000 1.064 16 D CA -0.157 53.797 54.000 -0.077 0.000 0.845 16 D CB 2.334 43.103 40.800 -0.052 0.000 1.148 16 D HN 0.315 nan 8.370 nan 0.000 0.464 17 L N 2.065 123.180 121.223 -0.181 0.000 2.276 17 L HA 0.403 4.745 4.340 0.003 0.000 0.286 17 L C 0.002 176.804 176.870 -0.113 0.000 1.024 17 L CA -0.983 53.717 54.840 -0.234 0.000 0.826 17 L CB 1.617 43.325 42.059 -0.586 0.000 1.211 17 L HN 0.040 nan 8.230 nan 0.000 0.422 18 V N 5.498 125.456 119.914 0.072 0.000 2.513 18 V HA 0.602 4.724 4.120 0.003 0.000 0.299 18 V C -2.310 173.940 176.094 0.260 0.000 1.035 18 V CA -2.263 60.123 62.300 0.145 0.000 0.889 18 V CB 2.409 34.265 31.823 0.055 0.000 0.988 18 V HN 0.464 nan 8.190 nan 0.000 0.440 19 P HA 0.161 nan 4.420 nan 0.000 0.266 19 P C -0.092 177.193 177.300 -0.025 0.000 1.193 19 P CA 0.576 63.683 63.100 0.011 0.000 0.770 19 P CB 0.719 32.412 31.700 -0.011 0.000 0.836 20 E N 1.007 121.152 120.200 -0.093 0.000 3.203 20 E HA 0.094 4.446 4.350 0.003 0.000 0.200 20 E C -0.009 176.543 176.600 -0.079 0.000 1.089 20 E CA 0.210 56.572 56.400 -0.064 0.000 1.430 20 E CB 0.429 30.096 29.700 -0.055 0.000 1.328 20 E HN 0.157 nan 8.360 nan 0.000 0.580 21 K N -0.724 119.608 120.400 -0.114 0.000 2.246 21 K HA 0.400 4.722 4.320 0.003 0.000 0.239 21 K C 0.557 177.077 176.600 -0.133 0.000 1.089 21 K CA 0.546 56.772 56.287 -0.101 0.000 0.892 21 K CB 0.487 32.935 32.500 -0.087 0.000 1.334 21 K HN -0.008 nan 8.250 nan 0.000 0.507 22 Q N 0.397 120.133 119.800 -0.107 0.000 2.482 22 Q HA 0.027 4.369 4.340 0.003 0.000 0.209 22 Q C -0.012 175.905 176.000 -0.139 0.000 0.961 22 Q CA 1.409 57.146 55.803 -0.110 0.000 0.945 22 Q CB -0.638 28.056 28.738 -0.073 0.000 1.012 22 Q HN 0.484 nan 8.270 nan 0.000 0.515 23 N N -0.839 117.769 118.700 -0.152 0.000 2.466 23 N HA 0.229 4.971 4.740 0.003 0.000 0.272 23 N C -1.013 174.386 175.510 -0.184 0.000 1.455 23 N CA 0.511 53.468 53.050 -0.154 0.000 0.875 23 N CB 1.285 39.717 38.487 -0.092 0.000 1.372 23 N HN 0.292 nan 8.380 nan 0.000 0.492 24 S N -0.103 115.431 115.700 -0.276 0.000 2.596 24 S HA 0.696 5.168 4.470 0.003 0.000 0.270 24 S C -2.220 172.155 174.600 -0.376 0.000 1.155 24 S CA -0.364 57.693 58.200 -0.239 0.000 0.827 24 S CB 1.221 64.347 63.200 -0.123 0.000 1.130 24 S HN 0.061 nan 8.310 nan 0.000 0.467 25 Y N 0.865 121.130 120.300 -0.058 0.000 2.457 25 Y HA 0.633 5.185 4.550 0.003 0.000 0.343 25 Y C -0.674 175.175 175.900 -0.086 0.000 0.994 25 Y CA -0.809 57.251 58.100 -0.066 0.000 1.031 25 Y CB 1.800 40.218 38.460 -0.070 0.000 1.246 25 Y HN 0.661 nan 8.280 nan 0.000 0.449 26 L N 4.891 126.178 121.223 0.106 0.000 2.289 26 L HA 0.495 4.836 4.340 0.003 0.000 0.285 26 L C -0.471 176.377 176.870 -0.036 0.000 1.049 26 L CA -0.842 54.000 54.840 0.004 0.000 0.804 26 L CB 0.718 42.782 42.059 0.007 0.000 1.195 26 L HN 0.627 nan 8.230 nan 0.000 0.428 27 K N 4.578 124.888 120.400 -0.150 0.000 2.264 27 K HA 0.486 4.808 4.320 0.003 0.000 0.277 27 K C -1.090 175.464 176.600 -0.077 0.000 1.067 27 K CA -0.492 55.660 56.287 -0.225 0.000 0.900 27 K CB 0.388 32.556 32.500 -0.554 0.000 1.124 27 K HN 0.465 nan 8.250 nan 0.000 0.469 28 C N 4.234 123.560 119.300 0.042 0.000 2.370 28 C HA 0.456 4.918 4.460 0.003 0.000 0.354 28 C C -2.228 172.859 174.990 0.161 0.000 1.218 28 C CA -1.688 57.400 59.018 0.116 0.000 2.154 28 C CB 0.552 28.316 27.740 0.041 0.000 2.391 28 C HN 0.681 nan 8.230 nan 0.000 0.540 29 P HA 0.421 nan 4.420 nan 0.000 0.281 29 P C -0.052 177.221 177.300 -0.046 0.000 1.252 29 P CA 0.715 63.787 63.100 -0.047 0.000 0.778 29 P CB 0.786 32.354 31.700 -0.220 0.000 0.895 30 G N 1.011 109.785 108.800 -0.043 0.000 3.015 30 G HA2 0.745 4.707 3.960 0.003 0.000 0.281 30 G HA3 0.745 4.707 3.960 0.003 0.000 0.281 30 G C -0.696 174.216 174.900 0.021 0.000 1.386 30 G CA -0.856 44.240 45.100 -0.008 0.000 0.959 30 G HN 0.721 nan 8.290 nan 0.000 0.522 31 G N -2.127 106.711 108.800 0.063 0.000 3.069 31 G HA2 0.428 4.390 3.960 0.003 0.000 0.686 31 G HA3 0.428 4.390 3.960 0.003 0.000 0.686 31 G C 0.687 175.669 174.900 0.136 0.000 1.161 31 G CA 0.434 45.608 45.100 0.123 0.000 0.804 31 G HN 1.797 nan 8.290 nan 0.000 0.608 32 A N 1.775 124.684 122.820 0.149 0.000 1.858 32 A HA 0.139 4.461 4.320 0.003 0.000 0.216 32 A C 2.784 180.468 177.584 0.167 0.000 1.190 32 A CA 2.888 55.011 52.037 0.143 0.000 0.617 32 A CB -0.710 18.385 19.000 0.159 0.000 0.827 32 A HN 1.636 nan 8.150 nan 0.000 0.443 33 S N 0.062 115.921 115.700 0.265 0.000 2.382 33 S HA -0.031 4.441 4.470 0.003 0.000 0.228 33 S C 2.254 177.058 174.600 0.340 0.000 1.027 33 S CA 1.158 59.526 58.200 0.281 0.000 0.991 33 S CB -0.489 62.905 63.200 0.323 0.000 0.823 33 S HN 0.799 nan 8.310 nan 0.000 0.469 34 A N 2.979 126.069 122.820 0.450 0.000 1.877 34 A HA -0.150 4.172 4.320 0.003 0.000 0.216 34 A C 2.000 179.734 177.584 0.250 0.000 1.186 34 A CA 1.474 53.793 52.037 0.470 0.000 0.620 34 A CB -0.688 18.473 19.000 0.269 0.000 0.822 34 A HN 0.448 nan 8.150 nan 0.000 0.443 35 N N 0.287 119.053 118.700 0.110 0.000 2.084 35 N HA -0.135 4.607 4.740 0.003 0.000 0.190 35 N C 1.815 177.305 175.510 -0.034 0.000 1.030 35 N CA 1.726 54.787 53.050 0.017 0.000 0.849 35 N CB -0.689 37.793 38.487 -0.009 0.000 1.012 35 N HN 0.253 nan 8.380 nan 0.000 0.423 36 V N 1.243 121.104 119.914 -0.089 0.000 2.282 36 V HA -0.208 3.914 4.120 0.003 0.000 0.249 36 V C 2.512 178.507 176.094 -0.166 0.000 1.057 36 V CA 2.149 64.316 62.300 -0.221 0.000 1.032 36 V CB -1.324 30.175 31.823 -0.540 0.000 0.645 36 V HN 0.370 nan 8.190 nan 0.000 0.447 37 G N -0.477 108.283 108.800 -0.067 0.000 2.421 37 G HA2 -0.207 3.754 3.960 0.003 0.000 0.216 37 G HA3 -0.207 3.754 3.960 0.003 0.000 0.216 37 G C 1.676 176.572 174.900 -0.006 0.000 1.171 37 G CA 1.172 46.261 45.100 -0.019 0.000 0.775 37 G HN 0.384 nan 8.290 nan 0.000 0.543 38 V N 0.024 119.970 119.914 0.054 0.000 2.407 38 V HA -0.193 3.929 4.120 0.003 0.000 0.248 38 V C 2.929 178.975 176.094 -0.080 0.000 1.055 38 V CA 1.582 63.896 62.300 0.023 0.000 1.049 38 V CB -0.481 31.358 31.823 0.026 0.000 0.662 38 V HN 0.589 nan 8.190 nan 0.000 0.455 39 C N -0.174 119.058 119.300 -0.114 0.000 2.413 39 C HA -0.147 4.314 4.460 0.003 0.000 0.278 39 C C 2.733 177.607 174.990 -0.194 0.000 1.224 39 C CA 1.577 60.488 59.018 -0.179 0.000 1.732 39 C CB -0.826 26.809 27.740 -0.175 0.000 2.050 39 C HN 0.427 nan 8.230 nan 0.000 0.463 40 V N 1.712 121.537 119.914 -0.149 0.000 2.332 40 V HA -0.205 3.917 4.120 0.003 0.000 0.248 40 V C 2.799 178.829 176.094 -0.107 0.000 1.055 40 V CA 2.387 64.622 62.300 -0.108 0.000 1.038 40 V CB -1.456 30.331 31.823 -0.061 0.000 0.651 40 V HN 0.718 nan 8.190 nan 0.000 0.450 41 A N 0.137 122.904 122.820 -0.087 0.000 1.873 41 A HA -0.218 4.104 4.320 0.003 0.000 0.215 41 A C 2.333 179.864 177.584 -0.089 0.000 1.186 41 A CA 1.692 53.692 52.037 -0.061 0.000 0.616 41 A CB -0.570 18.413 19.000 -0.029 0.000 0.823 41 A HN 0.469 nan 8.150 nan 0.000 0.442 42 R N -1.000 119.427 120.500 -0.121 0.000 2.395 42 R HA 0.021 4.363 4.340 0.003 0.000 0.202 42 R C -0.114 176.059 176.300 -0.213 0.000 1.088 42 R CA 0.465 56.485 56.100 -0.133 0.000 1.090 42 R CB -0.187 29.974 30.300 -0.232 0.000 0.876 42 R HN 0.344 nan 8.270 nan 0.000 0.477 43 L N -0.920 120.114 121.223 -0.315 0.000 3.229 43 L HA 0.354 4.696 4.340 0.003 0.000 0.286 43 L C 0.720 177.267 176.870 -0.537 0.000 1.239 43 L CA 0.627 55.115 54.840 -0.586 0.000 1.035 43 L CB 1.175 42.593 42.059 -1.067 0.000 1.408 43 L HN 0.263 nan 8.230 nan 0.000 0.593 44 G N -0.379 108.310 108.800 -0.185 0.000 2.176 44 G HA2 -0.194 3.768 3.960 0.003 0.000 0.252 44 G HA3 -0.194 3.768 3.960 0.003 0.000 0.252 44 G C 0.586 175.584 174.900 0.163 0.000 1.024 44 G CA 0.128 45.227 45.100 -0.002 0.000 0.755 44 G HN 0.663 nan 8.290 nan 0.000 0.507 45 G N -0.990 107.907 108.800 0.161 0.000 2.410 45 G HA2 0.597 4.558 3.960 0.003 0.000 0.330 45 G HA3 0.597 4.558 3.960 0.003 0.000 0.330 45 G C -0.311 174.633 174.900 0.072 0.000 1.142 45 G CA -0.335 44.916 45.100 0.252 0.000 0.902 45 G HN 0.337 nan 8.290 nan 0.000 0.491 46 E N 0.136 120.351 120.200 0.025 0.000 2.070 46 E HA 0.288 4.640 4.350 0.003 0.000 0.282 46 E C -0.867 175.656 176.600 -0.129 0.000 1.104 46 E CA -0.338 56.034 56.400 -0.047 0.000 0.876 46 E CB 0.577 30.245 29.700 -0.054 0.000 1.055 46 E HN 0.347 nan 8.360 nan 0.000 0.401 47 C N 4.017 123.234 119.300 -0.139 0.000 2.369 47 C HA 0.808 5.270 4.460 0.003 0.000 0.322 47 C C 0.184 175.038 174.990 -0.227 0.000 1.258 47 C CA -0.248 58.654 59.018 -0.194 0.000 1.487 47 C CB 0.209 27.883 27.740 -0.110 0.000 2.165 47 C HN 0.813 nan 8.230 nan 0.000 0.483 48 G N 4.040 112.623 108.800 -0.362 0.000 2.415 48 G HA2 0.598 4.560 3.960 0.003 0.000 0.327 48 G HA3 0.598 4.560 3.960 0.003 0.000 0.327 48 G C -1.318 173.666 174.900 0.140 0.000 1.182 48 G CA -0.335 44.657 45.100 -0.179 0.000 0.924 48 G HN 0.768 nan 8.290 nan 0.000 0.470 49 F N 2.977 122.921 119.950 -0.011 0.000 2.410 49 F HA 0.625 5.154 4.527 0.003 0.000 0.349 49 F C -0.013 175.889 175.800 0.170 0.000 1.117 49 F CA -1.086 56.873 58.000 -0.067 0.000 1.104 49 F CB 0.974 39.632 39.000 -0.570 0.000 1.122 49 F HN 0.217 nan 8.300 nan 0.000 0.483 50 I N 6.606 127.016 120.570 -0.267 0.000 2.354 50 I HA 0.654 4.826 4.170 0.003 0.000 0.286 50 I C 0.276 176.250 176.117 -0.238 0.000 1.007 50 I CA -0.208 61.071 61.300 -0.034 0.000 1.167 50 I CB 0.789 38.819 38.000 0.051 0.000 1.320 50 I HN 0.773 nan 8.210 nan 0.000 0.458 51 G N 4.277 113.130 108.800 0.088 0.000 2.490 51 G HA2 0.481 4.443 3.960 0.003 0.000 0.308 51 G HA3 0.481 4.443 3.960 0.003 0.000 0.308 51 G C -2.150 172.932 174.900 0.303 0.000 1.286 51 G CA -0.349 44.867 45.100 0.193 0.000 0.825 51 G HN 0.512 nan 8.290 nan 0.000 0.479 52 C N -0.398 119.089 119.300 0.312 0.000 2.698 52 C HA 0.935 5.397 4.460 0.003 0.000 0.309 52 C C -0.581 174.551 174.990 0.236 0.000 1.186 52 C CA -0.335 58.831 59.018 0.246 0.000 1.474 52 C CB 0.271 28.141 27.740 0.216 0.000 2.020 52 C HN 0.722 nan 8.230 nan 0.000 0.474 53 L N 2.489 123.814 121.223 0.169 0.000 2.600 53 L HA 0.667 5.009 4.340 0.003 0.000 0.257 53 L C 0.459 177.371 176.870 0.069 0.000 1.048 53 L CA -0.508 54.407 54.840 0.126 0.000 0.869 53 L CB 1.939 44.070 42.059 0.120 0.000 1.482 53 L HN 0.801 nan 8.230 nan 0.000 0.408 54 G N -1.071 107.757 108.800 0.047 0.000 2.448 54 G HA2 0.150 4.112 3.960 0.003 0.000 0.285 54 G HA3 0.150 4.112 3.960 0.003 0.000 0.285 54 G C 0.039 174.952 174.900 0.021 0.000 1.176 54 G CA -0.125 44.985 45.100 0.017 0.000 0.852 54 G HN 0.695 nan 8.290 nan 0.000 0.530 55 D N 0.338 120.744 120.400 0.010 0.000 2.352 55 D HA -0.016 4.626 4.640 0.003 0.000 0.232 55 D C 0.617 176.925 176.300 0.014 0.000 1.055 55 D CA -0.059 53.949 54.000 0.014 0.000 0.891 55 D CB -0.085 40.718 40.800 0.006 0.000 0.897 55 D HN 0.526 nan 8.370 nan 0.000 0.529 56 D N -0.658 119.751 120.400 0.014 0.000 2.312 56 D HA -0.094 4.548 4.640 0.003 0.000 0.244 56 D C 1.097 177.411 176.300 0.023 0.000 1.328 56 D CA -0.372 53.635 54.000 0.013 0.000 0.965 56 D CB 0.332 41.138 40.800 0.010 0.000 1.140 56 D HN -0.176 nan 8.370 nan 0.000 0.523 57 D N -1.006 119.404 120.400 0.017 0.000 2.149 57 D HA -0.198 4.444 4.640 0.003 0.000 0.198 57 D C 1.917 178.249 176.300 0.053 0.000 0.990 57 D CA 2.101 56.115 54.000 0.023 0.000 0.839 57 D CB -0.258 40.541 40.800 -0.003 0.000 0.948 57 D HN 0.424 nan 8.370 nan 0.000 0.460 58 A N 0.047 122.894 122.820 0.045 0.000 1.855 58 A HA 0.045 4.367 4.320 0.003 0.000 0.215 58 A C 2.441 180.093 177.584 0.114 0.000 1.191 58 A CA 1.941 54.031 52.037 0.088 0.000 0.613 58 A CB -1.447 17.579 19.000 0.044 0.000 0.829 58 A HN 0.365 nan 8.150 nan 0.000 0.442 59 G N -0.691 108.145 108.800 0.061 0.000 2.442 59 G HA2 -0.244 3.718 3.960 0.003 0.000 0.219 59 G HA3 -0.244 3.718 3.960 0.003 0.000 0.219 59 G C 1.778 176.694 174.900 0.026 0.000 1.141 59 G CA 0.975 46.099 45.100 0.039 0.000 0.763 59 G HN 0.560 nan 8.290 nan 0.000 0.554 60 R N -0.901 119.629 120.500 0.051 0.000 2.075 60 R HA -0.002 4.340 4.340 0.003 0.000 0.232 60 R C 2.289 178.618 176.300 0.049 0.000 1.126 60 R CA 1.155 57.281 56.100 0.044 0.000 0.963 60 R CB -0.531 29.800 30.300 0.051 0.000 0.858 60 R HN 0.426 nan 8.270 nan 0.000 0.435 61 F N 1.795 121.708 119.950 -0.062 0.000 2.069 61 F HA -0.208 4.321 4.527 0.003 0.000 0.298 61 F C 1.885 177.602 175.800 -0.137 0.000 1.113 61 F CA 1.474 59.424 58.000 -0.082 0.000 1.214 61 F CB -0.574 38.379 39.000 -0.079 0.000 0.978 61 F HN -0.103 nan 8.300 nan 0.000 0.474 62 L N 0.201 121.192 121.223 -0.386 0.000 2.013 62 L HA -0.274 4.067 4.340 0.003 0.000 0.212 62 L C 2.833 179.323 176.870 -0.632 0.000 1.073 62 L CA 1.982 56.434 54.840 -0.645 0.000 0.753 62 L CB -0.686 41.138 42.059 -0.392 0.000 0.890 62 L HN 0.167 nan 8.230 nan 0.000 0.432 63 R N -0.372 119.956 120.500 -0.286 0.000 2.105 63 R HA -0.256 4.086 4.340 0.003 0.000 0.239 63 R C 2.334 178.566 176.300 -0.115 0.000 1.135 63 R CA 1.707 57.751 56.100 -0.093 0.000 0.967 63 R CB -0.094 30.210 30.300 0.007 0.000 0.861 63 R HN 0.238 nan 8.270 nan 0.000 0.442 64 Q N 0.129 119.816 119.800 -0.188 0.000 2.079 64 Q HA -0.089 4.253 4.340 0.003 0.000 0.200 64 Q C 1.928 177.798 176.000 -0.218 0.000 0.974 64 Q CA 1.860 57.573 55.803 -0.150 0.000 0.840 64 Q CB -0.137 28.533 28.738 -0.113 0.000 0.898 64 Q HN 0.245 nan 8.270 nan 0.000 0.430 65 V N 0.305 119.950 119.914 -0.449 0.000 2.332 65 V HA -0.230 3.892 4.120 0.003 0.000 0.248 65 V C 1.932 177.884 176.094 -0.236 0.000 1.055 65 V CA 1.694 63.734 62.300 -0.434 0.000 1.038 65 V CB -0.760 30.647 31.823 -0.693 0.000 0.651 65 V HN 0.273 nan 8.190 nan 0.000 0.450 66 F N 0.489 120.308 119.950 -0.218 0.000 2.171 66 F HA -0.170 4.359 4.527 0.003 0.000 0.300 66 F C 2.572 178.318 175.800 -0.091 0.000 1.090 66 F CA 1.402 59.306 58.000 -0.159 0.000 1.293 66 F CB -0.870 38.020 39.000 -0.182 0.000 1.013 66 F HN 0.201 nan 8.300 nan 0.000 0.486 67 Q N -0.290 119.574 119.800 0.107 0.000 2.083 67 Q HA -0.155 4.186 4.340 0.003 0.000 0.198 67 Q C 1.767 177.786 176.000 0.032 0.000 0.969 67 Q CA 1.322 57.162 55.803 0.061 0.000 0.838 67 Q CB -0.171 28.590 28.738 0.039 0.000 0.900 67 Q HN 0.284 nan 8.270 nan 0.000 0.436 68 D N 0.310 120.711 120.400 0.001 0.000 2.218 68 D HA -0.113 4.529 4.640 0.003 0.000 0.204 68 D C 1.078 177.391 176.300 0.021 0.000 0.976 68 D CA 0.893 54.894 54.000 0.001 0.000 0.853 68 D CB -0.134 40.652 40.800 -0.023 0.000 0.939 68 D HN 0.209 nan 8.370 nan 0.000 0.481 69 N N -0.500 118.219 118.700 0.032 0.000 2.280 69 N HA 0.072 4.814 4.740 0.003 0.000 0.192 69 N C 1.022 176.559 175.510 0.045 0.000 1.109 69 N CA 0.608 53.685 53.050 0.046 0.000 0.855 69 N CB 1.428 39.941 38.487 0.043 0.000 0.974 69 N HN 0.170 nan 8.380 nan 0.000 0.482 70 G N 0.692 109.519 108.800 0.045 0.000 2.132 70 G HA2 -0.237 3.724 3.960 0.003 0.000 0.228 70 G HA3 -0.237 3.724 3.960 0.003 0.000 0.228 70 G C -0.122 174.792 174.900 0.023 0.000 1.000 70 G CA -0.093 45.026 45.100 0.032 0.000 0.693 70 G HN 0.140 nan 8.290 nan 0.000 0.515 71 V N 1.183 121.121 119.914 0.041 0.000 2.406 71 V HA 0.413 4.535 4.120 0.003 0.000 0.272 71 V C 0.545 176.638 176.094 -0.001 0.000 1.043 71 V CA -0.420 61.874 62.300 -0.009 0.000 0.915 71 V CB 1.614 33.400 31.823 -0.062 0.000 0.988 71 V HN 0.423 nan 8.190 nan 0.000 0.466 72 D N 4.329 124.728 120.400 -0.003 0.000 2.382 72 D HA 0.054 4.696 4.640 0.003 0.000 0.259 72 D C 0.738 177.108 176.300 0.116 0.000 1.224 72 D CA -0.006 54.030 54.000 0.061 0.000 0.894 72 D CB 1.421 42.256 40.800 0.059 0.000 1.127 72 D HN 0.420 nan 8.370 nan 0.000 0.487 73 V N 1.287 121.279 119.914 0.131 0.000 3.249 73 V HA 0.140 4.262 4.120 0.003 0.000 0.338 73 V C 1.517 177.726 176.094 0.192 0.000 1.363 73 V CA -0.083 62.316 62.300 0.166 0.000 1.205 73 V CB -0.334 31.575 31.823 0.143 0.000 1.164 73 V HN 0.471 nan 8.190 nan 0.000 0.458 74 T N 1.220 115.910 114.554 0.226 0.000 2.849 74 T HA -0.022 4.330 4.350 0.003 0.000 0.270 74 T C 0.846 175.482 174.700 -0.107 0.000 1.066 74 T CA 2.122 64.280 62.100 0.096 0.000 1.130 74 T CB -0.429 68.551 68.868 0.186 0.000 0.864 74 T HN 0.619 nan 8.240 nan 0.000 0.481 75 F N 0.359 120.417 119.950 0.180 0.000 2.708 75 F HA 0.418 4.947 4.527 0.003 0.000 0.300 75 F C 0.066 175.967 175.800 0.168 0.000 1.118 75 F CA -0.973 57.109 58.000 0.136 0.000 1.307 75 F CB 0.293 39.349 39.000 0.095 0.000 0.986 75 F HN 0.001 nan 8.300 nan 0.000 0.522 76 L N 1.826 123.223 121.223 0.290 0.000 2.314 76 L HA 0.379 4.720 4.340 0.003 0.000 0.275 76 L C 0.402 177.384 176.870 0.186 0.000 1.068 76 L CA -0.513 54.519 54.840 0.321 0.000 0.894 76 L CB 0.136 42.407 42.059 0.353 0.000 1.275 76 L HN 0.103 nan 8.230 nan 0.000 0.432 77 R N 3.936 124.528 120.500 0.154 0.000 2.296 77 R HA 0.295 4.637 4.340 0.003 0.000 0.323 77 R C -1.057 175.298 176.300 0.092 0.000 1.067 77 R CA -0.508 55.645 56.100 0.088 0.000 0.946 77 R CB 0.375 30.718 30.300 0.070 0.000 0.991 77 R HN 0.592 nan 8.270 nan 0.000 0.448 78 L N 5.109 126.371 121.223 0.065 0.000 2.261 78 L HA 0.235 4.576 4.340 0.003 0.000 0.289 78 L C -0.091 176.794 176.870 0.026 0.000 1.059 78 L CA 0.345 55.217 54.840 0.054 0.000 0.816 78 L CB 1.021 43.108 42.059 0.047 0.000 1.191 78 L HN 0.658 nan 8.230 nan 0.000 0.431 79 D N 2.110 122.518 120.400 0.014 0.000 2.326 79 D HA 0.519 5.160 4.640 0.003 0.000 0.251 79 D C 0.104 176.388 176.300 -0.028 0.000 1.023 79 D CA -0.118 53.872 54.000 -0.016 0.000 0.966 79 D CB 2.364 43.138 40.800 -0.043 0.000 1.156 79 D HN 0.506 nan 8.370 nan 0.000 0.494 80 A N 1.358 124.157 122.820 -0.035 0.000 2.343 80 A HA 0.099 4.420 4.320 0.003 0.000 0.223 80 A C 0.734 178.288 177.584 -0.050 0.000 1.214 80 A CA -0.001 52.016 52.037 -0.033 0.000 0.900 80 A CB 0.357 19.344 19.000 -0.021 0.000 0.942 80 A HN 0.459 nan 8.150 nan 0.000 0.507 81 D N -0.251 120.103 120.400 -0.077 0.000 2.342 81 D HA 0.257 4.899 4.640 0.003 0.000 0.221 81 D C -0.472 175.732 176.300 -0.160 0.000 1.101 81 D CA 0.294 54.237 54.000 -0.094 0.000 0.837 81 D CB 0.672 41.417 40.800 -0.091 0.000 0.938 81 D HN 0.177 nan 8.370 nan 0.000 0.508 82 L N -0.162 120.964 121.223 -0.161 0.000 2.301 82 L HA 0.433 4.775 4.340 0.003 0.000 0.264 82 L C 0.098 176.914 176.870 -0.090 0.000 1.016 82 L CA -0.527 54.186 54.840 -0.212 0.000 0.821 82 L CB 2.101 44.001 42.059 -0.266 0.000 1.346 82 L HN -0.347 nan 8.230 nan 0.000 0.429 83 T N 0.277 114.800 114.554 -0.052 0.000 2.840 83 T HA 0.403 4.755 4.350 0.003 0.000 0.287 83 T C -0.191 174.526 174.700 0.028 0.000 0.991 83 T CA -0.481 61.618 62.100 -0.002 0.000 0.964 83 T CB 1.205 70.081 68.868 0.013 0.000 0.954 83 T HN 0.471 nan 8.240 nan 0.000 0.438 84 S N 2.523 118.241 115.700 0.030 0.000 2.568 84 S HA 0.431 4.903 4.470 0.003 0.000 0.282 84 S C 0.796 175.421 174.600 0.040 0.000 1.338 84 S CA -0.746 57.483 58.200 0.047 0.000 1.045 84 S CB 0.397 63.623 63.200 0.043 0.000 0.873 84 S HN 0.914 nan 8.310 nan 0.000 0.516 85 A N 2.890 125.741 122.820 0.052 0.000 2.488 85 A HA 0.488 4.810 4.320 0.003 0.000 0.249 85 A C -0.335 177.254 177.584 0.010 0.000 1.083 85 A CA -0.326 51.733 52.037 0.037 0.000 0.768 85 A CB 0.012 19.049 19.000 0.061 0.000 1.017 85 A HN 0.617 nan 8.150 nan 0.000 0.496 86 V N 3.832 123.734 119.914 -0.020 0.000 2.577 86 V HA 0.455 4.577 4.120 0.003 0.000 0.303 86 V C -0.896 175.130 176.094 -0.112 0.000 1.042 86 V CA -0.422 61.838 62.300 -0.066 0.000 0.872 86 V CB 1.421 33.200 31.823 -0.074 0.000 0.998 86 V HN 0.739 nan 8.190 nan 0.000 0.423 87 L N 5.463 126.587 121.223 -0.165 0.000 2.365 87 L HA 0.598 4.939 4.340 0.003 0.000 0.273 87 L C -0.461 176.247 176.870 -0.270 0.000 1.000 87 L CA -0.381 54.305 54.840 -0.257 0.000 0.819 87 L CB 1.885 43.759 42.059 -0.309 0.000 1.284 87 L HN 0.362 nan 8.230 nan 0.000 0.418 88 I N 3.285 123.690 120.570 -0.275 0.000 2.321 88 I HA 0.346 4.518 4.170 0.003 0.000 0.291 88 I C -0.077 175.929 176.117 -0.185 0.000 0.998 88 I CA -0.415 60.721 61.300 -0.273 0.000 1.227 88 I CB 1.636 39.507 38.000 -0.214 0.000 1.368 88 I HN 0.256 nan 8.210 nan 0.000 0.466 89 V N 8.574 128.410 119.914 -0.131 0.000 2.532 89 V HA 0.511 4.632 4.120 0.003 0.000 0.295 89 V C -0.241 175.846 176.094 -0.011 0.000 1.041 89 V CA -0.258 61.997 62.300 -0.075 0.000 0.926 89 V CB 1.908 33.695 31.823 -0.060 0.000 0.992 89 V HN 0.891 nan 8.190 nan 0.000 0.457 100 T N -0.004 114.316 114.554 -0.391 0.000 2.982 100 T HA 0.580 4.932 4.350 0.003 0.000 0.321 100 T C -2.168 172.182 174.700 -0.582 0.000 1.229 100 T CA -0.318 61.599 62.100 -0.305 0.000 1.044 100 T CB 1.906 70.692 68.868 -0.138 0.000 1.184 100 T HN 0.412 nan 8.240 nan 0.000 0.477 101 Y N 2.520 122.840 120.300 0.033 0.000 2.376 101 Y HA 0.455 5.007 4.550 0.003 0.000 0.326 101 Y C 0.915 176.834 175.900 0.033 0.000 0.970 101 Y CA -0.828 57.254 58.100 -0.031 0.000 1.248 101 Y CB 0.898 39.291 38.460 -0.111 0.000 1.117 101 Y HN 0.490 nan 8.280 nan 0.000 0.476 102 L N 1.670 122.928 121.223 0.059 0.000 2.145 102 L HA 0.101 4.443 4.340 0.003 0.000 0.201 102 L C 0.158 177.097 176.870 0.115 0.000 1.075 102 L CA 0.431 55.324 54.840 0.088 0.000 0.773 102 L CB 0.089 42.156 42.059 0.013 0.000 0.936 102 L HN 0.268 nan 8.230 nan 0.000 0.451 103 V N -0.225 119.703 119.914 0.023 0.000 2.406 103 V HA 0.044 4.166 4.120 0.003 0.000 0.272 103 V C 0.428 176.465 176.094 -0.094 0.000 1.043 103 V CA -0.099 62.215 62.300 0.025 0.000 0.915 103 V CB 1.064 32.898 31.823 0.019 0.000 0.988 103 V HN 0.233 nan 8.190 nan 0.000 0.466 104 H N 4.069 123.185 119.070 0.077 0.000 2.481 104 H HA 0.161 4.718 4.556 0.003 0.000 0.291 104 H C -0.595 174.767 175.328 0.055 0.000 1.009 104 H CA 0.679 56.761 56.048 0.056 0.000 1.282 104 H CB -0.592 29.190 29.762 0.033 0.000 1.457 104 H HN 0.516 nan 8.280 nan 0.000 0.525 105 P HA 0.004 nan 4.420 nan 0.000 0.226 105 P C 0.065 177.481 177.300 0.194 0.000 1.146 105 P CA 1.322 64.526 63.100 0.173 0.000 0.773 105 P CB -0.081 31.763 31.700 0.239 0.000 0.772 106 G N -0.031 108.864 108.800 0.158 0.000 3.176 106 G HA2 -0.117 3.845 3.960 0.003 0.000 0.405 106 G HA3 -0.117 3.845 3.960 0.003 0.000 0.405 106 G C 1.018 176.093 174.900 0.292 0.000 0.496 106 G CA -0.142 45.046 45.100 0.147 0.000 1.094 106 G HN 0.357 nan 8.290 nan 0.000 0.527 107 A N 2.122 125.080 122.820 0.230 0.000 2.015 107 A HA 0.017 4.339 4.320 0.003 0.000 0.219 107 A C 2.191 179.960 177.584 0.309 0.000 1.163 107 A CA 1.912 54.107 52.037 0.263 0.000 0.646 107 A CB -0.177 18.881 19.000 0.097 0.000 0.806 107 A HN 1.051 nan 8.150 nan 0.000 0.448 108 D N -0.007 120.528 120.400 0.224 0.000 2.378 108 D HA -0.133 4.509 4.640 0.003 0.000 0.222 108 D C 1.490 177.893 176.300 0.172 0.000 0.980 108 D CA 1.552 55.681 54.000 0.214 0.000 0.907 108 D CB -0.857 40.067 40.800 0.207 0.000 0.899 108 D HN 0.502 nan 8.370 nan 0.000 0.527 109 T N -3.066 111.575 114.554 0.147 0.000 3.100 109 T HA -0.028 4.324 4.350 0.003 0.000 0.253 109 T C 1.239 175.872 174.700 -0.112 0.000 1.118 109 T CA -0.042 62.045 62.100 -0.021 0.000 1.058 109 T CB -0.596 68.183 68.868 -0.148 0.000 0.953 109 T HN 0.066 nan 8.240 nan 0.000 0.515 110 Y N 0.810 121.135 120.300 0.041 0.000 2.482 110 Y HA 0.457 5.008 4.550 0.002 0.000 0.270 110 Y C 1.361 177.287 175.900 0.044 0.000 1.152 110 Y CA -0.996 57.126 58.100 0.037 0.000 1.292 110 Y CB -0.074 38.409 38.460 0.038 0.000 1.070 110 Y HN 0.112 nan 8.280 nan 0.000 0.528 111 V N 1.977 121.998 119.914 0.179 0.000 2.617 111 V HA 0.114 4.236 4.120 0.003 0.000 0.304 111 V C 0.349 176.493 176.094 0.085 0.000 1.040 111 V CA 0.316 62.696 62.300 0.134 0.000 1.149 111 V CB 0.209 32.105 31.823 0.122 0.000 0.914 111 V HN 0.383 nan 8.190 nan 0.000 0.487 112 S N 5.699 121.444 115.700 0.075 0.000 2.709 112 S HA 0.667 5.139 4.470 0.003 0.000 0.302 112 S C -2.103 172.511 174.600 0.023 0.000 1.127 112 S CA -1.209 57.016 58.200 0.041 0.000 0.905 112 S CB 1.929 65.154 63.200 0.042 0.000 1.151 112 S HN 0.455 nan 8.310 nan 0.000 0.510 113 P HA -0.139 nan 4.420 nan 0.000 0.217 113 P C 1.100 178.380 177.300 -0.035 0.000 1.148 113 P CA 1.274 64.357 63.100 -0.029 0.000 0.828 113 P CB -0.080 31.595 31.700 -0.041 0.000 0.783 114 Q N -1.007 118.785 119.800 -0.013 0.000 2.482 114 Q HA -0.039 4.303 4.340 0.003 0.000 0.209 114 Q C 0.207 176.219 176.000 0.020 0.000 0.961 114 Q CA 1.048 56.845 55.803 -0.009 0.000 0.945 114 Q CB -0.766 27.971 28.738 -0.002 0.000 1.012 114 Q HN 0.326 nan 8.270 nan 0.000 0.515 115 D N 0.530 120.953 120.400 0.038 0.000 2.349 115 D HA 0.175 4.817 4.640 0.003 0.000 0.214 115 D C -0.023 176.348 176.300 0.120 0.000 1.063 115 D CA 0.021 54.079 54.000 0.097 0.000 0.847 115 D CB 0.361 41.223 40.800 0.104 0.000 0.933 115 D HN 0.170 nan 8.370 nan 0.000 0.513 116 L N 2.257 123.465 121.223 -0.026 0.000 2.371 116 L HA 0.361 4.703 4.340 0.003 0.000 0.272 116 L C -1.878 174.707 176.870 -0.475 0.000 1.124 116 L CA -1.618 53.074 54.840 -0.248 0.000 0.816 116 L CB 0.450 42.343 42.059 -0.277 0.000 1.129 116 L HN -0.117 nan 8.230 nan 0.000 0.448 117 P HA 0.446 nan 4.420 nan 0.000 0.284 117 P C -2.766 173.795 177.300 -1.232 0.000 1.287 117 P CA -2.110 60.198 63.100 -1.321 0.000 0.824 117 P CB 0.338 30.552 31.700 -2.477 0.000 1.180 118 P HA 0.307 nan 4.420 nan 0.000 0.279 118 P C -0.832 176.085 177.300 -0.638 0.000 1.239 118 P CA 0.171 62.913 63.100 -0.598 0.000 0.789 118 P CB 0.134 31.678 31.700 -0.260 0.000 0.933 119 F N 2.122 121.928 119.950 -0.240 0.000 2.432 119 F HA 0.511 5.039 4.527 0.003 0.000 0.329 119 F C 1.131 176.884 175.800 -0.079 0.000 1.076 119 F CA -0.496 57.405 58.000 -0.165 0.000 1.018 119 F CB 0.970 39.839 39.000 -0.218 0.000 1.201 119 F HN 0.011 nan 8.300 nan 0.000 0.489 120 R N 0.756 121.388 120.500 0.220 0.000 2.778 120 R HA 0.289 4.631 4.340 0.003 0.000 0.277 120 R C -0.577 175.706 176.300 -0.029 0.000 0.977 120 R CA -1.126 55.019 56.100 0.074 0.000 0.950 120 R CB 1.425 31.791 30.300 0.110 0.000 1.165 120 R HN 0.751 nan 8.270 nan 0.000 0.474 121 Q N 1.184 120.871 119.800 -0.188 0.000 2.333 121 Q HA -0.139 4.203 4.340 0.003 0.000 0.299 121 Q C -0.564 175.196 176.000 -0.399 0.000 1.067 121 Q CA 0.649 56.172 55.803 -0.466 0.000 0.943 121 Q CB 0.221 28.514 28.738 -0.741 0.000 1.233 121 Q HN 0.548 nan 8.270 nan 0.000 0.401 122 Y N -1.005 119.143 120.300 -0.254 0.000 4.907 122 Y HA -0.284 4.268 4.550 0.003 0.000 0.246 122 Y C -0.152 175.724 175.900 -0.041 0.000 0.968 122 Y CA 1.134 59.126 58.100 -0.179 0.000 1.961 122 Y CB -1.955 36.543 38.460 0.063 0.000 1.487 122 Y HN 0.714 nan 8.280 nan 0.000 0.575 123 E N -0.764 119.461 120.200 0.041 0.000 2.349 123 E HA 0.342 4.694 4.350 0.003 0.000 0.262 123 E C -0.471 176.201 176.600 0.119 0.000 1.088 123 E CA -0.540 55.978 56.400 0.198 0.000 0.899 123 E CB 0.568 30.443 29.700 0.293 0.000 1.044 123 E HN 0.211 nan 8.360 nan 0.000 0.420 124 W N 2.440 123.878 121.300 0.230 0.000 2.573 124 W HA 0.389 5.050 4.660 0.003 0.000 0.326 124 W C -0.948 175.754 176.519 0.305 0.000 1.049 124 W CA -0.474 57.026 57.345 0.258 0.000 1.220 124 W CB 0.904 30.489 29.460 0.207 0.000 1.373 124 W HN 0.329 nan 8.180 nan 0.000 0.507 125 F N 5.020 125.165 119.950 0.324 0.000 2.467 125 F HA 0.458 4.987 4.527 0.003 0.000 0.336 125 F C -1.300 174.750 175.800 0.418 0.000 1.123 125 F CA -1.469 56.670 58.000 0.232 0.000 0.964 125 F CB 0.732 39.657 39.000 -0.126 0.000 1.136 125 F HN 0.296 nan 8.300 nan 0.000 0.447 126 Y N 7.767 127.901 120.300 -0.276 0.000 2.485 126 Y HA 0.726 5.278 4.550 0.003 0.000 0.345 126 Y C -1.830 173.991 175.900 -0.133 0.000 0.998 126 Y CA -1.696 56.355 58.100 -0.082 0.000 1.059 126 Y CB 1.459 39.903 38.460 -0.027 0.000 1.234 126 Y HN 0.568 nan 8.280 nan 0.000 0.461 127 F N 1.715 121.049 119.950 -1.026 0.000 2.725 127 F HA 0.684 5.213 4.527 0.003 0.000 0.309 127 F C -1.589 173.841 175.800 -0.617 0.000 1.132 127 F CA -0.812 56.791 58.000 -0.661 0.000 0.957 127 F CB 0.362 39.246 39.000 -0.194 0.000 1.286 127 F HN 0.528 nan 8.300 nan 0.000 0.440 128 S N 0.178 115.650 115.700 -0.380 0.000 2.726 128 S HA 0.549 5.021 4.470 0.003 0.000 0.308 128 S C 0.594 175.224 174.600 0.050 0.000 1.115 128 S CA -0.081 57.889 58.200 -0.383 0.000 0.965 128 S CB 1.135 64.228 63.200 -0.179 0.000 1.145 128 S HN 1.368 nan 8.310 nan 0.000 0.532 129 S N 0.047 115.802 115.700 0.091 0.000 2.474 129 S HA -0.018 4.454 4.470 0.003 0.000 0.235 129 S C 1.565 176.384 174.600 0.366 0.000 0.997 129 S CA 0.549 58.992 58.200 0.405 0.000 0.949 129 S CB -1.017 62.431 63.200 0.413 0.000 0.766 129 S HN 0.641 nan 8.310 nan 0.000 0.517 130 I N 2.030 122.724 120.570 0.207 0.000 2.361 130 I HA -0.051 4.121 4.170 0.003 0.000 0.251 130 I C 2.570 178.734 176.117 0.078 0.000 1.133 130 I CA 1.193 62.570 61.300 0.128 0.000 1.413 130 I CB -0.594 37.473 38.000 0.111 0.000 1.073 130 I HN 0.499 nan 8.210 nan 0.000 0.424 131 G N 0.024 108.913 108.800 0.148 0.000 2.985 131 G HA2 0.098 4.060 3.960 0.003 0.000 0.209 131 G HA3 0.098 4.060 3.960 0.003 0.000 0.209 131 G C 1.299 176.267 174.900 0.113 0.000 1.165 131 G CA -0.091 45.087 45.100 0.130 0.000 0.776 131 G HN 0.286 nan 8.290 nan 0.000 0.541 132 L N 0.193 121.501 121.223 0.142 0.000 2.667 132 L HA 0.149 4.491 4.340 0.003 0.000 0.232 132 L C 2.362 179.105 176.870 -0.210 0.000 1.138 132 L CA 0.007 54.926 54.840 0.132 0.000 0.921 132 L CB 0.338 42.634 42.059 0.396 0.000 1.180 132 L HN 0.064 nan 8.230 nan 0.000 0.487 133 T N -1.068 113.205 114.554 -0.468 0.000 2.812 133 T HA -0.022 4.330 4.350 0.003 0.000 0.264 133 T C 0.506 174.857 174.700 -0.582 0.000 1.042 133 T CA 0.915 62.425 62.100 -0.983 0.000 1.140 133 T CB 0.056 68.434 68.868 -0.816 0.000 0.870 133 T HN 0.222 nan 8.240 nan 0.000 0.445 134 D N 0.393 120.599 120.400 -0.323 0.000 2.375 134 D HA 0.330 4.972 4.640 0.003 0.000 0.247 134 D C 0.647 176.850 176.300 -0.162 0.000 1.061 134 D CA -0.494 53.370 54.000 -0.227 0.000 0.834 134 D CB 2.129 42.801 40.800 -0.213 0.000 1.247 134 D HN -0.169 nan 8.370 nan 0.000 0.489 135 R N 3.163 123.585 120.500 -0.130 0.000 2.159 135 R HA -0.187 4.155 4.340 0.003 0.000 0.249 135 R C -1.044 175.206 176.300 -0.083 0.000 1.136 135 R CA 2.257 58.304 56.100 -0.087 0.000 0.951 135 R CB -1.584 28.674 30.300 -0.072 0.000 0.876 135 R HN 0.359 nan 8.270 nan 0.000 0.440 136 P HA -0.084 nan 4.420 nan 0.000 0.213 136 P C 0.936 178.206 177.300 -0.050 0.000 1.170 136 P CA 2.225 65.272 63.100 -0.089 0.000 0.898 136 P CB -0.401 31.211 31.700 -0.147 0.000 0.787 137 A N -0.362 122.424 122.820 -0.056 0.000 2.032 137 A HA -0.244 4.077 4.320 0.003 0.000 0.221 137 A C 2.354 179.941 177.584 0.005 0.000 1.165 137 A CA 1.392 53.425 52.037 -0.008 0.000 0.645 137 A CB -1.114 17.885 19.000 -0.001 0.000 0.807 137 A HN -0.001 nan 8.150 nan 0.000 0.453 138 R N -0.590 119.901 120.500 -0.014 0.000 2.083 138 R HA -0.164 4.178 4.340 0.003 0.000 0.237 138 R C 2.006 178.303 176.300 -0.004 0.000 1.137 138 R CA 1.907 58.014 56.100 0.010 0.000 0.951 138 R CB -0.278 30.024 30.300 0.003 0.000 0.851 138 R HN 0.589 nan 8.270 nan 0.000 0.434 139 E N 0.096 120.285 120.200 -0.018 0.000 2.106 139 E HA -0.088 4.264 4.350 0.003 0.000 0.192 139 E C 1.824 178.399 176.600 -0.041 0.000 0.984 139 E CA 1.262 57.644 56.400 -0.031 0.000 0.806 139 E CB -0.245 29.439 29.700 -0.028 0.000 0.750 139 E HN 0.340 nan 8.360 nan 0.000 0.458 140 A N 0.223 123.033 122.820 -0.016 0.000 1.883 140 A HA -0.260 4.061 4.320 0.003 0.000 0.217 140 A C 2.407 179.991 177.584 -0.000 0.000 1.186 140 A CA 1.663 53.702 52.037 0.003 0.000 0.624 140 A CB -1.060 17.964 19.000 0.040 0.000 0.822 140 A HN 0.418 nan 8.150 nan 0.000 0.444 141 C N -0.903 118.383 119.300 -0.024 0.000 2.473 141 C HA -0.021 4.441 4.460 0.003 0.000 0.279 141 C C 2.658 177.426 174.990 -0.369 0.000 1.250 141 C CA 1.014 59.938 59.018 -0.155 0.000 1.713 141 C CB -1.530 26.149 27.740 -0.102 0.000 2.066 141 C HN 0.628 nan 8.230 nan 0.000 0.474 142 L N 0.684 121.765 121.223 -0.238 0.000 2.093 142 L HA -0.124 4.218 4.340 0.003 0.000 0.208 142 L C 2.650 179.393 176.870 -0.212 0.000 1.085 142 L CA 1.561 56.271 54.840 -0.217 0.000 0.755 142 L CB -0.696 41.306 42.059 -0.096 0.000 0.904 142 L HN 0.341 nan 8.230 nan 0.000 0.435 143 E N 0.646 120.741 120.200 -0.175 0.000 2.112 143 E HA -0.098 4.254 4.350 0.003 0.000 0.190 143 E C 2.103 178.555 176.600 -0.248 0.000 0.979 143 E CA 1.261 57.563 56.400 -0.164 0.000 0.814 143 E CB -0.330 29.303 29.700 -0.112 0.000 0.762 143 E HN 0.272 nan 8.360 nan 0.000 0.460 144 G N 0.615 109.227 108.800 -0.312 0.000 2.459 144 G HA2 -0.284 3.678 3.960 0.003 0.000 0.217 144 G HA3 -0.284 3.678 3.960 0.003 0.000 0.217 144 G C 1.734 175.932 174.900 -1.169 0.000 1.183 144 G CA 1.410 46.143 45.100 -0.610 0.000 0.776 144 G HN 0.452 nan 8.290 nan 0.000 0.552 145 A N 0.369 122.604 122.820 -0.975 0.000 1.933 145 A HA 0.004 4.326 4.320 0.003 0.000 0.218 145 A C 2.336 179.685 177.584 -0.391 0.000 1.175 145 A CA 1.843 53.495 52.037 -0.642 0.000 0.628 145 A CB -0.449 18.388 19.000 -0.271 0.000 0.814 145 A HN 0.370 nan 8.150 nan 0.000 0.444 146 R N -0.500 119.821 120.500 -0.299 0.000 2.081 146 R HA -0.109 4.232 4.340 0.003 0.000 0.235 146 R C 2.437 178.624 176.300 -0.188 0.000 1.131 146 R CA 1.524 57.510 56.100 -0.190 0.000 0.960 146 R CB -0.229 29.984 30.300 -0.145 0.000 0.856 146 R HN 0.519 nan 8.270 nan 0.000 0.436 147 R N -0.249 120.131 120.500 -0.201 0.000 2.073 147 R HA -0.147 4.195 4.340 0.003 0.000 0.234 147 R C 2.301 178.536 176.300 -0.108 0.000 1.134 147 R CA 1.734 57.774 56.100 -0.099 0.000 0.952 147 R CB -0.353 29.953 30.300 0.009 0.000 0.850 147 R HN 0.202 nan 8.270 nan 0.000 0.433 148 M N 0.667 120.051 119.600 -0.359 0.000 2.159 148 M HA -0.121 4.361 4.480 0.003 0.000 0.263 148 M C 1.884 178.003 176.300 -0.302 0.000 1.063 148 M CA 1.633 56.634 55.300 -0.499 0.000 1.110 148 M CB -0.041 32.028 32.600 -0.884 0.000 1.374 148 M HN -0.145 nan 8.290 nan 0.000 0.411 149 R N 0.128 120.483 120.500 -0.243 0.000 2.073 149 R HA -0.126 4.215 4.340 0.003 0.000 0.234 149 R C 2.214 178.426 176.300 -0.146 0.000 1.134 149 R CA 1.829 57.829 56.100 -0.166 0.000 0.952 149 R CB -1.202 29.035 30.300 -0.105 0.000 0.850 149 R HN 0.660 nan 8.270 nan 0.000 0.433 150 E N 0.201 120.325 120.200 -0.127 0.000 2.209 150 E HA -0.120 4.232 4.350 0.003 0.000 0.196 150 E C 1.025 177.558 176.600 -0.111 0.000 0.993 150 E CA 1.193 57.531 56.400 -0.102 0.000 0.819 150 E CB 0.035 29.682 29.700 -0.087 0.000 0.745 150 E HN 0.323 nan 8.360 nan 0.000 0.477 151 A N -0.213 122.532 122.820 -0.126 0.000 2.307 151 A HA 0.338 4.660 4.320 0.003 0.000 0.218 151 A C 1.353 178.809 177.584 -0.213 0.000 1.228 151 A CA 0.595 52.554 52.037 -0.131 0.000 0.857 151 A CB -0.274 18.687 19.000 -0.065 0.000 0.897 151 A HN 0.380 nan 8.150 nan 0.000 0.495 152 G N -1.333 107.323 108.800 -0.240 0.000 2.198 152 G HA2 0.017 3.979 3.960 0.003 0.000 0.257 152 G HA3 0.017 3.979 3.960 0.003 0.000 0.257 152 G C 0.547 175.138 174.900 -0.514 0.000 1.042 152 G CA 0.362 45.266 45.100 -0.328 0.000 0.791 152 G HN 1.329 nan 8.290 nan 0.000 0.502 153 G N -1.486 107.022 108.800 -0.487 0.000 2.552 153 G HA2 0.722 4.683 3.960 0.003 0.000 0.324 153 G HA3 0.722 4.683 3.960 0.003 0.000 0.324 153 G C -0.810 173.626 174.900 -0.773 0.000 1.217 153 G CA -1.150 43.566 45.100 -0.641 0.000 0.989 153 G HN 0.282 nan 8.290 nan 0.000 0.490 154 Y N -1.304 118.718 120.300 -0.463 0.000 2.446 154 Y HA 0.569 5.121 4.550 0.003 0.000 0.338 154 Y C 0.090 175.810 175.900 -0.301 0.000 1.055 154 Y CA -1.063 56.641 58.100 -0.660 0.000 1.101 154 Y CB 2.372 39.738 38.460 -1.823 0.000 1.221 154 Y HN 0.240 nan 8.280 nan 0.000 0.460 155 V N 4.350 124.343 119.914 0.132 0.000 2.495 155 V HA 0.407 4.529 4.120 0.003 0.000 0.298 155 V C -0.801 175.579 176.094 0.477 0.000 1.031 155 V CA -0.931 61.600 62.300 0.384 0.000 0.871 155 V CB 1.976 34.023 31.823 0.373 0.000 0.988 155 V HN 0.668 nan 8.190 nan 0.000 0.432 156 L N 5.575 127.121 121.223 0.538 0.000 2.316 156 L HA 0.600 4.942 4.340 0.003 0.000 0.280 156 L C -1.254 175.706 176.870 0.149 0.000 1.006 156 L CA -0.490 54.577 54.840 0.379 0.000 0.836 156 L CB 0.959 43.234 42.059 0.360 0.000 1.221 156 L HN 0.638 nan 8.230 nan 0.000 0.418 157 F N 4.672 124.556 119.950 -0.110 0.000 2.405 157 F HA 0.358 4.887 4.527 0.003 0.000 0.355 157 F C -0.279 175.321 175.800 -0.333 0.000 1.121 157 F CA -0.694 57.026 58.000 -0.467 0.000 1.112 157 F CB 1.008 39.757 39.000 -0.419 0.000 1.126 157 F HN 0.445 nan 8.300 nan 0.000 0.481 158 D N 5.862 125.576 120.400 -1.143 0.000 2.460 158 D HA 0.143 4.784 4.640 0.003 0.000 0.232 158 D C -1.007 174.623 176.300 -1.117 0.000 1.079 158 D CA -0.302 53.211 54.000 -0.811 0.000 0.864 158 D CB 1.183 41.765 40.800 -0.363 0.000 1.048 158 D HN 0.385 nan 8.370 nan 0.000 0.523 159 V N 5.016 124.317 119.914 -1.023 0.000 2.409 159 V HA 0.192 4.314 4.120 0.003 0.000 0.270 159 V C -0.288 175.613 176.094 -0.322 0.000 1.019 159 V CA -0.023 61.889 62.300 -0.647 0.000 1.066 159 V CB 0.108 31.798 31.823 -0.222 0.000 1.021 159 V HN 0.508 nan 8.190 nan 0.000 0.476 160 N N 6.367 124.933 118.700 -0.224 0.000 3.112 160 N HA 0.200 4.942 4.740 0.003 0.000 0.270 160 N C -0.585 174.928 175.510 0.006 0.000 1.385 160 N CA -0.544 52.451 53.050 -0.092 0.000 0.986 160 N CB 0.498 38.952 38.487 -0.054 0.000 1.261 160 N HN 0.665 nan 8.380 nan 0.000 0.495 161 L N 2.148 123.370 121.223 -0.002 0.000 2.578 161 L HA 0.079 4.421 4.340 0.003 0.000 0.279 161 L C 0.507 177.428 176.870 0.085 0.000 1.227 161 L CA 0.892 55.759 54.840 0.045 0.000 0.900 161 L CB 0.236 42.278 42.059 -0.029 0.000 1.144 161 L HN 0.250 nan 8.230 nan 0.000 0.496 162 R N 2.860 123.469 120.500 0.182 0.000 2.627 162 R HA 0.175 4.516 4.340 0.003 0.000 0.251 162 R C 1.090 177.567 176.300 0.294 0.000 1.524 162 R CA -0.084 56.127 56.100 0.185 0.000 1.606 162 R CB 0.255 30.655 30.300 0.167 0.000 1.396 162 R HN 0.726 nan 8.270 nan 0.000 0.724 163 S N 1.858 117.672 115.700 0.189 0.000 2.393 163 S HA -0.316 4.155 4.470 0.003 0.000 0.235 163 S C 1.904 176.663 174.600 0.264 0.000 1.061 163 S CA 2.238 60.547 58.200 0.182 0.000 1.129 163 S CB -0.052 63.164 63.200 0.028 0.000 1.011 163 S HN 0.559 nan 8.310 nan 0.000 0.436 164 K N 1.334 121.825 120.400 0.151 0.000 2.117 164 K HA -0.255 4.067 4.320 0.003 0.000 0.215 164 K C 1.886 178.539 176.600 0.088 0.000 1.053 164 K CA 2.237 58.586 56.287 0.103 0.000 0.935 164 K CB -0.863 31.683 32.500 0.077 0.000 0.719 164 K HN 0.417 nan 8.250 nan 0.000 0.460 165 M N -0.671 118.977 119.600 0.080 0.000 2.460 165 M HA -0.018 4.464 4.480 0.003 0.000 0.263 165 M C 0.063 176.326 176.300 -0.061 0.000 1.071 165 M CA 0.749 56.016 55.300 -0.055 0.000 1.096 165 M CB -0.207 32.310 32.600 -0.139 0.000 1.408 165 M HN 0.113 nan 8.290 nan 0.000 0.463 166 W N 0.516 121.805 121.300 -0.018 0.000 2.311 166 W HA 0.342 5.004 4.660 0.004 0.000 0.310 166 W C 1.370 177.887 176.519 -0.003 0.000 1.274 166 W CA -0.251 57.092 57.345 -0.003 0.000 1.215 166 W CB 0.172 29.637 29.460 0.008 0.000 1.227 166 W HN 0.072 nan 8.180 nan 0.000 0.523 167 G N 2.427 111.322 108.800 0.159 0.000 2.637 167 G HA2 -0.280 3.682 3.960 0.003 0.000 0.215 167 G HA3 -0.280 3.682 3.960 0.003 0.000 0.215 167 G C 0.378 175.368 174.900 0.150 0.000 1.289 167 G CA 0.557 45.723 45.100 0.109 0.000 0.816 167 G HN 0.428 nan 8.290 nan 0.000 0.580 168 N N 0.743 119.548 118.700 0.174 0.000 2.521 168 N HA 0.183 4.925 4.740 0.003 0.000 0.236 168 N C 1.413 177.029 175.510 0.177 0.000 1.067 168 N CA 0.637 53.773 53.050 0.144 0.000 0.939 168 N CB 0.845 39.399 38.487 0.112 0.000 1.201 168 N HN 0.177 nan 8.380 nan 0.000 0.511 169 T N -0.394 114.232 114.554 0.119 0.000 3.118 169 T HA -0.119 4.232 4.350 0.003 0.000 0.269 169 T C 0.681 175.350 174.700 -0.052 0.000 1.166 169 T CA 0.876 62.985 62.100 0.015 0.000 1.073 169 T CB -0.134 68.721 68.868 -0.023 0.000 0.884 169 T HN 0.336 nan 8.240 nan 0.000 0.550 170 D N 1.564 121.969 120.400 0.010 0.000 2.312 170 D HA -0.018 4.624 4.640 0.003 0.000 0.211 170 D C 1.955 178.251 176.300 -0.007 0.000 0.964 170 D CA 0.717 54.715 54.000 -0.003 0.000 0.877 170 D CB -0.037 40.775 40.800 0.021 0.000 0.924 170 D HN 0.702 nan 8.370 nan 0.000 0.515 171 E N 0.230 120.446 120.200 0.027 0.000 2.216 171 E HA -0.009 4.343 4.350 0.003 0.000 0.192 171 E C 2.195 178.739 176.600 -0.092 0.000 0.988 171 E CA -0.007 56.434 56.400 0.067 0.000 0.834 171 E CB 0.274 30.149 29.700 0.290 0.000 0.772 171 E HN 0.279 nan 8.360 nan 0.000 0.479 172 I N 1.579 121.908 120.570 -0.401 0.000 2.068 172 I HA -0.271 3.901 4.170 0.003 0.000 0.238 172 I C -0.679 175.297 176.117 -0.235 0.000 1.046 172 I CA 1.570 62.494 61.300 -0.628 0.000 1.306 172 I CB -1.331 36.201 38.000 -0.780 0.000 1.023 172 I HN 0.065 nan 8.210 nan 0.000 0.399 173 P HA -0.223 nan 4.420 nan 0.000 0.215 173 P C 1.442 178.746 177.300 0.008 0.000 1.157 173 P CA 1.528 64.623 63.100 -0.008 0.000 0.874 173 P CB 0.031 31.739 31.700 0.014 0.000 0.790 174 E N -0.591 119.607 120.200 -0.004 0.000 2.038 174 E HA -0.179 4.173 4.350 0.003 0.000 0.195 174 E C 1.842 178.452 176.600 0.017 0.000 1.000 174 E CA 1.348 57.755 56.400 0.011 0.000 0.803 174 E CB -1.193 28.520 29.700 0.022 0.000 0.750 174 E HN -0.064 nan 8.360 nan 0.000 0.448 175 L N 0.693 121.940 121.223 0.040 0.000 2.017 175 L HA -0.147 4.195 4.340 0.003 0.000 0.208 175 L C 2.393 179.270 176.870 0.010 0.000 1.073 175 L CA 1.344 56.227 54.840 0.072 0.000 0.745 175 L CB -1.109 41.074 42.059 0.206 0.000 0.894 175 L HN 0.297 nan 8.230 nan 0.000 0.432 176 I N -0.393 120.197 120.570 0.033 0.000 2.163 176 I HA -0.315 3.857 4.170 0.003 0.000 0.243 176 I C 2.592 178.697 176.117 -0.020 0.000 1.085 176 I CA 1.593 62.929 61.300 0.061 0.000 1.347 176 I CB -1.240 36.861 38.000 0.169 0.000 1.044 176 I HN 0.216 nan 8.210 nan 0.000 0.408 177 A N 0.659 123.474 122.820 -0.009 0.000 1.898 177 A HA -0.165 4.157 4.320 0.003 0.000 0.216 177 A C 2.274 179.824 177.584 -0.056 0.000 1.181 177 A CA 1.103 53.115 52.037 -0.042 0.000 0.620 177 A CB -0.396 18.577 19.000 -0.045 0.000 0.819 177 A HN 0.246 nan 8.150 nan 0.000 0.442 178 R N 0.317 120.787 120.500 -0.050 0.000 2.189 178 R HA 0.026 4.368 4.340 0.003 0.000 0.223 178 R C 2.101 178.353 176.300 -0.079 0.000 1.092 178 R CA 1.252 57.324 56.100 -0.046 0.000 0.989 178 R CB -0.961 29.326 30.300 -0.022 0.000 0.876 178 R HN 0.541 nan 8.270 nan 0.000 0.457 179 S N 0.722 116.311 115.700 -0.184 0.000 2.388 179 S HA 0.043 4.515 4.470 0.003 0.000 0.223 179 S C 1.971 176.417 174.600 -0.257 0.000 1.034 179 S CA 0.808 58.791 58.200 -0.361 0.000 0.963 179 S CB 0.033 62.519 63.200 -1.190 0.000 0.827 179 S HN 0.417 nan 8.310 nan 0.000 0.481 180 A N 1.515 124.238 122.820 -0.162 0.000 2.019 180 A HA 0.152 4.474 4.320 0.003 0.000 0.219 180 A C 2.223 179.822 177.584 0.026 0.000 1.164 180 A CA 1.537 53.576 52.037 0.003 0.000 0.644 180 A CB -0.779 18.244 19.000 0.039 0.000 0.805 180 A HN 0.487 nan 8.150 nan 0.000 0.449 181 A N -0.225 122.593 122.820 -0.005 0.000 1.897 181 A HA 0.049 4.371 4.320 0.003 0.000 0.215 181 A C 2.083 179.686 177.584 0.032 0.000 1.181 181 A CA 1.367 53.412 52.037 0.012 0.000 0.620 181 A CB -0.470 18.526 19.000 -0.007 0.000 0.821 181 A HN 0.460 nan 8.150 nan 0.000 0.443 182 L N -0.590 120.652 121.223 0.032 0.000 2.240 182 L HA 0.094 4.436 4.340 0.003 0.000 0.211 182 L C 1.626 178.565 176.870 0.116 0.000 1.106 182 L CA 0.203 55.075 54.840 0.053 0.000 0.793 182 L CB -0.551 41.532 42.059 0.040 0.000 0.927 182 L HN 0.368 nan 8.230 nan 0.000 0.446 183 A N -0.532 122.382 122.820 0.157 0.000 2.407 183 A HA 0.257 4.578 4.320 0.003 0.000 0.248 183 A C 1.245 178.957 177.584 0.213 0.000 1.082 183 A CA 0.005 52.179 52.037 0.228 0.000 0.785 183 A CB 0.617 19.775 19.000 0.263 0.000 1.020 183 A HN 0.157 nan 8.150 nan 0.000 0.489 184 S N 0.488 116.338 115.700 0.251 0.000 2.404 184 S HA 0.227 4.698 4.470 0.003 0.000 0.223 184 S C 0.500 175.258 174.600 0.262 0.000 1.040 184 S CA 0.723 59.093 58.200 0.283 0.000 0.957 184 S CB -0.122 63.261 63.200 0.305 0.000 0.826 184 S HN 0.608 nan 8.310 nan 0.000 0.491 185 I N 0.664 121.370 120.570 0.226 0.000 2.619 185 I HA 0.350 4.522 4.170 0.003 0.000 0.292 185 I C -1.292 174.916 176.117 0.151 0.000 1.100 185 I CA -0.608 60.776 61.300 0.140 0.000 1.043 185 I CB 2.156 40.163 38.000 0.011 0.000 1.239 185 I HN 0.081 nan 8.210 nan 0.000 0.420 186 C N 5.004 124.381 119.300 0.128 0.000 2.351 186 C HA 0.478 4.940 4.460 0.003 0.000 0.326 186 C C 0.049 175.061 174.990 0.037 0.000 1.272 186 C CA -0.672 58.413 59.018 0.112 0.000 1.650 186 C CB 1.298 29.147 27.740 0.182 0.000 2.257 186 C HN 0.556 nan 8.230 nan 0.000 0.505 187 K N 2.531 122.905 120.400 -0.044 0.000 2.206 187 K HA 0.780 5.102 4.320 0.003 0.000 0.264 187 K C -1.284 175.243 176.600 -0.120 0.000 0.967 187 K CA -0.133 56.125 56.287 -0.049 0.000 0.844 187 K CB 1.641 34.133 32.500 -0.014 0.000 1.099 187 K HN 0.595 nan 8.250 nan 0.000 0.441 188 V N 2.254 122.101 119.914 -0.112 0.000 3.087 188 V HA 0.468 4.590 4.120 0.003 0.000 0.306 188 V C -0.915 175.067 176.094 -0.188 0.000 1.187 188 V CA -0.540 61.680 62.300 -0.134 0.000 0.999 188 V CB 2.394 34.180 31.823 -0.062 0.000 1.049 188 V HN 0.964 nan 8.190 nan 0.000 0.431 189 S N 4.375 119.958 115.700 -0.195 0.000 2.617 189 S HA 0.702 5.174 4.470 0.003 0.000 0.283 189 S C 1.249 175.709 174.600 -0.233 0.000 1.189 189 S CA 0.144 58.198 58.200 -0.243 0.000 1.036 189 S CB 1.696 64.771 63.200 -0.208 0.000 1.014 189 S HN 1.838 nan 8.310 nan 0.000 0.522 190 A N 1.574 124.192 122.820 -0.337 0.000 1.917 190 A HA -0.167 4.155 4.320 0.003 0.000 0.219 190 A C 1.782 179.292 177.584 -0.124 0.000 1.182 190 A CA 2.328 54.155 52.037 -0.349 0.000 0.633 190 A CB -1.519 17.093 19.000 -0.647 0.000 0.819 190 A HN 1.020 nan 8.150 nan 0.000 0.448 191 D N -0.476 119.850 120.400 -0.123 0.000 2.123 191 D HA -0.169 4.472 4.640 0.003 0.000 0.196 191 D C 1.886 178.142 176.300 -0.072 0.000 0.992 191 D CA 1.708 55.666 54.000 -0.069 0.000 0.833 191 D CB -0.218 40.540 40.800 -0.071 0.000 0.954 191 D HN 0.657 nan 8.370 nan 0.000 0.455 192 E N -0.550 119.592 120.200 -0.096 0.000 2.110 192 E HA -0.165 4.187 4.350 0.003 0.000 0.193 192 E C 2.072 178.598 176.600 -0.123 0.000 0.988 192 E CA 0.373 56.712 56.400 -0.102 0.000 0.804 192 E CB -0.076 29.562 29.700 -0.104 0.000 0.745 192 E HN 0.261 nan 8.360 nan 0.000 0.458 193 L N 0.766 121.932 121.223 -0.096 0.000 2.079 193 L HA -0.193 4.149 4.340 0.003 0.000 0.210 193 L C 2.295 179.082 176.870 -0.138 0.000 1.081 193 L CA 1.422 56.198 54.840 -0.106 0.000 0.752 193 L CB -0.625 41.457 42.059 0.037 0.000 0.896 193 L HN 0.271 nan 8.230 nan 0.000 0.433 194 C N -1.558 117.703 119.300 -0.064 0.000 2.466 194 C HA -0.126 4.336 4.460 0.003 0.000 0.278 194 C C 2.713 177.638 174.990 -0.108 0.000 1.288 194 C CA 0.207 59.187 59.018 -0.065 0.000 1.722 194 C CB -0.634 27.092 27.740 -0.022 0.000 2.017 194 C HN 0.560 nan 8.230 nan 0.000 0.488 195 Q N 0.518 120.251 119.800 -0.112 0.000 2.030 195 Q HA -0.176 4.166 4.340 0.003 0.000 0.204 195 Q C 2.189 178.092 176.000 -0.161 0.000 0.986 195 Q CA 1.503 57.236 55.803 -0.116 0.000 0.843 195 Q CB -0.270 28.406 28.738 -0.104 0.000 0.904 195 Q HN 0.658 nan 8.270 nan 0.000 0.420 196 L N 0.270 121.346 121.223 -0.246 0.000 2.027 196 L HA -0.175 4.167 4.340 0.003 0.000 0.206 196 L C 2.750 179.364 176.870 -0.427 0.000 1.074 196 L CA 1.435 56.060 54.840 -0.358 0.000 0.745 196 L CB -0.551 41.166 42.059 -0.570 0.000 0.898 196 L HN 0.272 nan 8.230 nan 0.000 0.433 197 S N -0.950 114.451 115.700 -0.499 0.000 2.371 197 S HA 0.089 4.561 4.470 0.003 0.000 0.221 197 S C 1.711 176.248 174.600 -0.105 0.000 1.036 197 S CA 0.891 58.920 58.200 -0.285 0.000 0.965 197 S CB 0.374 63.445 63.200 -0.214 0.000 0.845 197 S HN 0.535 nan 8.310 nan 0.000 0.475 198 G N 1.013 109.749 108.800 -0.106 0.000 2.238 198 G HA2 -0.023 3.939 3.960 0.003 0.000 0.217 198 G HA3 -0.023 3.939 3.960 0.003 0.000 0.217 198 G C 0.399 175.266 174.900 -0.056 0.000 0.996 198 G CA 0.053 45.114 45.100 -0.065 0.000 0.632 198 G HN 1.291 nan 8.290 nan 0.000 0.503 199 A N 0.435 123.226 122.820 -0.048 0.000 2.475 199 A HA 0.637 4.959 4.320 0.003 0.000 0.239 199 A C 1.613 179.148 177.584 -0.082 0.000 1.087 199 A CA 1.541 53.551 52.037 -0.045 0.000 0.779 199 A CB 0.301 19.294 19.000 -0.011 0.000 1.036 199 A HN 0.989 nan 8.150 nan 0.000 0.506 200 S N -0.374 115.229 115.700 -0.162 0.000 2.475 200 S HA 0.084 4.556 4.470 0.003 0.000 0.224 200 S C 0.384 174.813 174.600 -0.286 0.000 1.042 200 S CA 0.213 58.255 58.200 -0.264 0.000 0.935 200 S CB -0.099 62.849 63.200 -0.420 0.000 0.801 200 S HN 0.739 nan 8.310 nan 0.000 0.509 201 H N 1.827 120.880 119.070 -0.028 0.000 2.552 201 H HA 0.086 4.644 4.556 0.003 0.000 0.311 201 H C 0.860 176.139 175.328 -0.082 0.000 1.071 201 H CA -0.652 55.348 56.048 -0.080 0.000 1.307 201 H CB 0.251 29.916 29.762 -0.160 0.000 1.416 201 H HN 0.493 nan 8.280 nan 0.000 0.464 202 W N 4.817 126.151 121.300 0.057 0.000 2.338 202 W HA -0.186 4.475 4.660 0.003 0.000 0.304 202 W C 0.907 177.423 176.519 -0.005 0.000 1.212 202 W CA 0.944 58.289 57.345 -0.001 0.000 1.264 202 W CB -0.415 29.034 29.460 -0.019 0.000 1.142 202 W HN 0.548 nan 8.180 nan 0.000 0.512 203 Q N 0.647 119.803 119.800 -1.073 0.000 2.508 203 Q HA -0.164 4.178 4.340 0.003 0.000 0.214 203 Q C 0.705 176.476 176.000 -0.381 0.000 0.979 203 Q CA 1.473 56.651 55.803 -1.042 0.000 0.911 203 Q CB -0.836 27.124 28.738 -1.296 0.000 0.969 203 Q HN 0.277 nan 8.270 nan 0.000 0.504 204 D N 0.868 121.155 120.400 -0.190 0.000 2.349 204 D HA 0.136 4.778 4.640 0.003 0.000 0.215 204 D C 0.784 177.098 176.300 0.023 0.000 1.016 204 D CA 0.895 54.864 54.000 -0.051 0.000 0.870 204 D CB 0.469 41.274 40.800 0.008 0.000 0.917 204 D HN 0.421 nan 8.370 nan 0.000 0.524 205 A N 0.371 123.212 122.820 0.035 0.000 2.571 205 A HA 0.090 4.411 4.320 0.003 0.000 0.274 205 A C 1.611 179.266 177.584 0.117 0.000 1.196 205 A CA -0.409 51.694 52.037 0.109 0.000 0.957 205 A CB -0.124 18.921 19.000 0.074 0.000 1.150 205 A HN 0.131 nan 8.150 nan 0.000 0.539 206 R N -1.382 119.107 120.500 -0.019 0.000 2.377 206 R HA -0.085 4.257 4.340 0.003 0.000 0.207 206 R C -0.016 176.116 176.300 -0.280 0.000 1.075 206 R CA 1.502 57.529 56.100 -0.120 0.000 1.035 206 R CB -0.561 29.582 30.300 -0.261 0.000 0.857 206 R HN 0.443 nan 8.270 nan 0.000 0.475 207 Y N -1.551 118.853 120.300 0.173 0.000 2.612 207 Y HA 0.151 4.703 4.550 0.003 0.000 0.250 207 Y C 1.171 177.166 175.900 0.160 0.000 1.175 207 Y CA -1.634 56.551 58.100 0.143 0.000 1.205 207 Y CB -0.216 38.301 38.460 0.095 0.000 1.201 207 Y HN -0.017 nan 8.280 nan 0.000 0.532 208 Y N 1.054 121.450 120.300 0.159 0.000 2.053 208 Y HA -0.310 4.242 4.550 0.003 0.000 0.277 208 Y C 1.695 177.665 175.900 0.117 0.000 1.159 208 Y CA 2.122 60.294 58.100 0.121 0.000 1.125 208 Y CB -0.412 38.101 38.460 0.088 0.000 0.969 208 Y HN 0.127 nan 8.280 nan 0.000 0.492 209 L N -0.371 120.944 121.223 0.154 0.000 2.109 209 L HA -0.122 4.220 4.340 0.003 0.000 0.207 209 L C 2.680 179.589 176.870 0.065 0.000 1.086 209 L CA 1.308 56.184 54.840 0.060 0.000 0.760 209 L CB -0.634 41.529 42.059 0.175 0.000 0.910 209 L HN 0.098 nan 8.230 nan 0.000 0.437 210 R N 0.526 121.113 120.500 0.145 0.000 2.117 210 R HA -0.214 4.128 4.340 0.003 0.000 0.243 210 R C 1.575 177.923 176.300 0.080 0.000 1.143 210 R CA 2.050 58.241 56.100 0.152 0.000 0.968 210 R CB -0.195 30.259 30.300 0.257 0.000 0.863 210 R HN 0.378 nan 8.270 nan 0.000 0.444 211 D N 0.089 120.516 120.400 0.044 0.000 2.234 211 D HA -0.093 4.549 4.640 0.003 0.000 0.205 211 D C 1.294 177.561 176.300 -0.055 0.000 0.962 211 D CA 0.535 54.528 54.000 -0.011 0.000 0.855 211 D CB 0.055 40.838 40.800 -0.027 0.000 0.951 211 D HN 0.161 nan 8.370 nan 0.000 0.500 212 L N -0.202 120.962 121.223 -0.099 0.000 2.627 212 L HA 0.223 4.565 4.340 0.003 0.000 0.233 212 L C 1.494 178.344 176.870 -0.034 0.000 1.144 212 L CA 0.585 55.360 54.840 -0.108 0.000 0.892 212 L CB -0.738 41.209 42.059 -0.187 0.000 1.039 212 L HN 0.184 nan 8.230 nan 0.000 0.442 213 G N -1.637 107.164 108.800 0.002 0.000 2.148 213 G HA2 -0.229 3.733 3.960 0.003 0.000 0.203 213 G HA3 -0.229 3.733 3.960 0.003 0.000 0.203 213 G C 0.192 175.132 174.900 0.067 0.000 0.993 213 G CA -0.059 45.059 45.100 0.030 0.000 0.661 213 G HN 0.327 nan 8.290 nan 0.000 0.518 214 C N 2.105 121.459 119.300 0.090 0.000 2.291 214 C HA 0.580 5.042 4.460 0.003 0.000 0.322 214 C C 1.435 176.516 174.990 0.151 0.000 1.205 214 C CA -0.161 58.935 59.018 0.129 0.000 1.495 214 C CB -0.013 27.814 27.740 0.145 0.000 2.127 214 C HN 0.537 nan 8.230 nan 0.000 0.452 215 D N 2.520 123.016 120.400 0.161 0.000 2.392 215 D HA -0.001 4.640 4.640 0.003 0.000 0.228 215 D C 0.322 176.752 176.300 0.217 0.000 1.003 215 D CA 0.687 54.792 54.000 0.176 0.000 0.917 215 D CB -0.013 40.882 40.800 0.158 0.000 0.890 215 D HN 0.481 nan 8.370 nan 0.000 0.532 216 T N -0.165 114.524 114.554 0.224 0.000 2.965 216 T HA 0.449 4.801 4.350 0.003 0.000 0.306 216 T C -0.853 173.946 174.700 0.165 0.000 0.991 216 T CA -0.741 61.492 62.100 0.220 0.000 1.001 216 T CB 1.800 70.826 68.868 0.264 0.000 0.984 216 T HN -0.086 nan 8.240 nan 0.000 0.446 217 T N 3.784 118.434 114.554 0.160 0.000 2.863 217 T HA 0.664 5.016 4.350 0.003 0.000 0.285 217 T C -0.253 174.513 174.700 0.110 0.000 1.009 217 T CA -0.653 61.526 62.100 0.131 0.000 0.989 217 T CB 1.104 70.059 68.868 0.144 0.000 1.004 217 T HN 0.454 nan 8.240 nan 0.000 0.455 218 I N 3.415 124.031 120.570 0.076 0.000 2.410 218 I HA 0.421 4.593 4.170 0.003 0.000 0.286 218 I C -0.624 175.501 176.117 0.013 0.000 1.009 218 I CA -0.759 60.585 61.300 0.073 0.000 1.111 218 I CB 1.374 39.426 38.000 0.085 0.000 1.262 218 I HN 0.479 nan 8.210 nan 0.000 0.443 219 I N 5.674 126.230 120.570 -0.023 0.000 2.307 219 I HA 0.176 4.348 4.170 0.003 0.000 0.289 219 I C 0.633 176.583 176.117 -0.279 0.000 1.021 219 I CA -0.396 60.810 61.300 -0.156 0.000 1.224 219 I CB 1.308 39.202 38.000 -0.178 0.000 1.376 219 I HN 0.576 nan 8.210 nan 0.000 0.470 220 S N 7.185 122.649 115.700 -0.393 0.000 2.531 220 S HA 0.325 4.797 4.470 0.003 0.000 0.279 220 S C 0.171 174.495 174.600 -0.460 0.000 1.305 220 S CA -0.593 57.283 58.200 -0.541 0.000 1.058 220 S CB 1.177 63.925 63.200 -0.754 0.000 0.899 220 S HN 0.480 nan 8.310 nan 0.000 0.493 221 L N 3.328 124.323 121.223 -0.381 0.000 3.141 221 L HA 0.384 4.726 4.340 0.003 0.000 0.267 221 L C 1.594 178.338 176.870 -0.211 0.000 1.281 221 L CA 0.805 55.434 54.840 -0.352 0.000 1.037 221 L CB -1.165 40.734 42.059 -0.268 0.000 1.407 221 L HN 1.240 nan 8.230 nan 0.000 0.566 222 G N 1.502 110.172 108.800 -0.215 0.000 2.591 222 G HA2 -0.400 3.562 3.960 0.003 0.000 0.298 222 G HA3 -0.400 3.562 3.960 0.003 0.000 0.298 222 G C 1.077 175.936 174.900 -0.070 0.000 1.195 222 G CA 0.918 45.938 45.100 -0.133 0.000 0.989 222 G HN 0.451 nan 8.290 nan 0.000 0.551 223 A N -0.812 121.993 122.820 -0.025 0.000 2.066 223 A HA 0.189 4.511 4.320 0.003 0.000 0.218 223 A C 1.753 179.365 177.584 0.047 0.000 1.157 223 A CA 2.113 54.160 52.037 0.017 0.000 0.670 223 A CB -0.252 18.763 19.000 0.025 0.000 0.804 223 A HN 0.567 nan 8.150 nan 0.000 0.453 224 D N -0.315 120.115 120.400 0.050 0.000 2.352 224 D HA 0.287 4.929 4.640 0.003 0.000 0.232 224 D C 1.455 177.850 176.300 0.159 0.000 1.055 224 D CA 1.122 55.204 54.000 0.137 0.000 0.891 224 D CB -0.036 40.856 40.800 0.154 0.000 0.897 224 D HN 0.538 nan 8.370 nan 0.000 0.529 225 G N 0.962 109.790 108.800 0.047 0.000 2.527 225 G HA2 -0.080 3.882 3.960 0.003 0.000 0.262 225 G HA3 -0.080 3.882 3.960 0.003 0.000 0.262 225 G C -0.091 174.786 174.900 -0.038 0.000 1.153 225 G CA 0.094 45.201 45.100 0.012 0.000 0.954 225 G HN 0.686 nan 8.290 nan 0.000 0.552 226 A N -1.330 121.476 122.820 -0.023 0.000 2.527 226 A HA 0.886 5.208 4.320 0.003 0.000 0.293 226 A C -1.324 176.325 177.584 0.107 0.000 1.117 226 A CA 0.201 52.257 52.037 0.031 0.000 0.723 226 A CB 2.037 21.151 19.000 0.191 0.000 1.313 226 A HN 2.160 nan 8.150 nan 0.000 0.411 227 L N 1.067 122.369 121.223 0.132 0.000 2.406 227 L HA 0.710 5.052 4.340 0.003 0.000 0.272 227 L C -1.409 175.607 176.870 0.245 0.000 0.980 227 L CA -0.559 54.419 54.840 0.231 0.000 0.831 227 L CB 1.611 43.807 42.059 0.228 0.000 1.253 227 L HN 0.736 nan 8.230 nan 0.000 0.406 228 L N 6.413 127.848 121.223 0.354 0.000 2.275 228 L HA 0.620 4.962 4.340 0.003 0.000 0.288 228 L C -1.102 175.958 176.870 0.318 0.000 1.046 228 L CA 0.007 55.050 54.840 0.338 0.000 0.805 228 L CB 0.974 43.311 42.059 0.463 0.000 1.193 228 L HN 0.443 nan 8.230 nan 0.000 0.426 229 I N 5.380 126.098 120.570 0.248 0.000 2.405 229 I HA 0.356 4.528 4.170 0.003 0.000 0.280 229 I C 0.233 176.513 176.117 0.271 0.000 1.027 229 I CA -0.177 61.268 61.300 0.243 0.000 1.161 229 I CB 0.649 38.757 38.000 0.180 0.000 1.300 229 I HN 0.745 nan 8.210 nan 0.000 0.463 230 T N 1.203 115.945 114.554 0.314 0.000 2.927 230 T HA 0.674 5.025 4.350 0.003 0.000 0.286 230 T C 1.280 176.137 174.700 0.262 0.000 1.040 230 T CA -0.194 62.077 62.100 0.284 0.000 1.010 230 T CB 2.187 71.224 68.868 0.283 0.000 1.177 230 T HN 0.408 nan 8.240 nan 0.000 0.546 231 A N 0.775 123.720 122.820 0.209 0.000 1.917 231 A HA -0.170 4.152 4.320 0.003 0.000 0.219 231 A C 2.146 179.828 177.584 0.164 0.000 1.182 231 A CA 2.031 54.165 52.037 0.161 0.000 0.633 231 A CB -1.109 17.965 19.000 0.122 0.000 0.819 231 A HN 0.970 nan 8.150 nan 0.000 0.448 232 E N -1.200 119.123 120.200 0.206 0.000 2.208 232 E HA 0.308 4.660 4.350 0.003 0.000 0.193 232 E C 1.047 177.790 176.600 0.237 0.000 0.988 232 E CA 0.552 57.084 56.400 0.220 0.000 0.828 232 E CB -0.157 29.699 29.700 0.260 0.000 0.763 232 E HN 0.657 nan 8.360 nan 0.000 0.478 233 G N 1.174 110.142 108.800 0.279 0.000 2.344 233 G HA2 0.134 4.096 3.960 0.003 0.000 0.282 233 G HA3 0.134 4.096 3.960 0.003 0.000 0.282 233 G C -1.907 173.026 174.900 0.056 0.000 1.281 233 G CA -0.532 44.623 45.100 0.092 0.000 0.877 233 G HN 0.159 nan 8.290 nan 0.000 0.494 234 E N -0.657 119.349 120.200 -0.324 0.000 2.234 234 E HA 0.691 5.043 4.350 0.003 0.000 0.266 234 E C -1.790 174.442 176.600 -0.614 0.000 0.877 234 E CA -0.847 55.443 56.400 -0.185 0.000 0.758 234 E CB 2.327 32.019 29.700 -0.014 0.000 1.170 234 E HN 0.247 nan 8.360 nan 0.000 0.415 235 F N 1.480 121.488 119.950 0.095 0.000 2.493 235 F HA 0.260 4.789 4.527 0.003 0.000 0.329 235 F C 0.314 176.070 175.800 -0.072 0.000 1.126 235 F CA -1.001 56.980 58.000 -0.032 0.000 0.937 235 F CB 1.471 40.398 39.000 -0.122 0.000 1.146 235 F HN 0.542 nan 8.300 nan 0.000 0.442 236 H N 3.438 122.453 119.070 -0.090 0.000 2.548 236 H HA 0.365 4.923 4.556 0.003 0.000 0.331 236 H C -1.591 173.595 175.328 -0.237 0.000 1.093 236 H CA -0.186 55.836 56.048 -0.043 0.000 1.367 236 H CB 0.819 30.582 29.762 0.001 0.000 1.455 236 H HN 0.535 nan 8.280 nan 0.000 0.519 237 F N 6.584 126.225 119.950 -0.515 0.000 2.532 237 F HA 0.246 4.775 4.527 0.003 0.000 0.365 237 F C -2.004 173.513 175.800 -0.472 0.000 1.112 237 F CA -1.892 55.921 58.000 -0.311 0.000 1.082 237 F CB 1.457 40.392 39.000 -0.109 0.000 1.319 237 F HN 0.444 nan 8.300 nan 0.000 0.457 238 P HA 0.232 nan 4.420 nan 0.000 0.271 238 P C -0.718 176.621 177.300 0.066 0.000 1.233 238 P CA -0.148 62.949 63.100 -0.004 0.000 0.789 238 P CB 1.364 33.169 31.700 0.175 0.000 0.951 239 A N 1.664 124.537 122.820 0.089 0.000 2.311 239 A HA 0.702 5.024 4.320 0.003 0.000 0.334 239 A C -2.326 175.317 177.584 0.098 0.000 1.139 239 A CA -1.752 50.345 52.037 0.101 0.000 0.830 239 A CB -0.784 18.275 19.000 0.099 0.000 1.234 239 A HN 0.384 nan 8.150 nan 0.000 0.483 240 P HA 0.423 nan 4.420 nan 0.000 0.267 240 P C 0.056 177.407 177.300 0.086 0.000 1.200 240 P CA 0.121 63.266 63.100 0.075 0.000 0.772 240 P CB 0.312 32.072 31.700 0.102 0.000 0.855 241 R N 1.711 122.233 120.500 0.038 0.000 2.265 241 R HA 0.606 4.947 4.340 0.003 0.000 0.314 241 R C 0.036 176.369 176.300 0.057 0.000 1.053 241 R CA -0.288 55.840 56.100 0.047 0.000 0.931 241 R CB -0.060 30.255 30.300 0.026 0.000 1.024 241 R HN 0.570 nan 8.270 nan 0.000 0.457 242 V N -3.138 116.830 119.914 0.090 0.000 3.165 242 V HA 0.879 5.001 4.120 0.003 0.000 0.309 242 V C -0.173 175.969 176.094 0.080 0.000 1.267 242 V CA -0.381 61.987 62.300 0.115 0.000 1.067 242 V CB 1.986 33.943 31.823 0.224 0.000 1.082 242 V HN 0.970 nan 8.190 nan 0.000 0.451 243 D N 0.727 121.174 120.400 0.079 0.000 2.422 243 D HA 0.556 5.198 4.640 0.003 0.000 0.227 243 D C 0.118 176.444 176.300 0.044 0.000 1.190 243 D CA -0.160 53.871 54.000 0.052 0.000 0.905 243 D CB 0.693 41.521 40.800 0.047 0.000 1.034 243 D HN 1.016 nan 8.370 nan 0.000 0.507 244 V N 2.607 122.542 119.914 0.035 0.000 2.506 244 V HA 0.005 4.127 4.120 0.003 0.000 0.296 244 V C 1.501 177.603 176.094 0.014 0.000 1.004 244 V CA 0.203 62.516 62.300 0.022 0.000 1.150 244 V CB 0.765 32.598 31.823 0.016 0.000 0.911 244 V HN 0.640 nan 8.190 nan 0.000 0.476 245 V N 2.648 122.567 119.914 0.008 0.000 3.612 245 V HA 0.319 4.441 4.120 0.003 0.000 0.268 245 V C 0.130 176.221 176.094 -0.004 0.000 1.365 245 V CA 0.622 62.924 62.300 0.004 0.000 1.044 245 V CB 0.445 32.271 31.823 0.004 0.000 0.820 245 V HN 1.044 nan 8.190 nan 0.000 0.444 246 D N -0.729 119.666 120.400 -0.009 0.000 2.085 246 D HA 0.023 4.665 4.640 0.003 0.000 0.147 246 D C 0.659 176.946 176.300 -0.021 0.000 1.121 246 D CA 0.593 54.585 54.000 -0.014 0.000 0.941 246 D CB 0.695 41.486 40.800 -0.015 0.000 2.846 246 D HN 0.117 nan 8.370 nan 0.000 0.517 247 T N -0.073 114.468 114.554 -0.021 0.000 3.160 247 T HA 0.116 4.468 4.350 0.003 0.000 0.257 247 T C 0.832 175.513 174.700 -0.032 0.000 1.147 247 T CA 0.258 62.341 62.100 -0.028 0.000 1.064 247 T CB -0.363 68.487 68.868 -0.029 0.000 0.949 247 T HN 0.349 nan 8.240 nan 0.000 0.526 248 T N 1.895 116.433 114.554 -0.027 0.000 2.946 248 T HA 0.409 4.761 4.350 0.003 0.000 0.311 248 T C 1.649 176.330 174.700 -0.032 0.000 1.063 248 T CA 0.602 62.687 62.100 -0.025 0.000 1.139 248 T CB 0.275 69.132 68.868 -0.019 0.000 0.994 248 T HN 0.647 nan 8.240 nan 0.000 0.547 249 G N 1.539 110.323 108.800 -0.026 0.000 2.257 249 G HA2 -0.318 3.644 3.960 0.003 0.000 0.267 249 G HA3 -0.318 3.644 3.960 0.003 0.000 0.267 249 G C 1.304 176.182 174.900 -0.035 0.000 0.984 249 G CA 0.609 45.691 45.100 -0.030 0.000 0.626 249 G HN 1.120 nan 8.290 nan 0.000 0.540 250 A N 0.340 123.137 122.820 -0.039 0.000 1.869 250 A HA 0.117 4.439 4.320 0.003 0.000 0.218 250 A C 2.987 180.565 177.584 -0.010 0.000 1.203 250 A CA 2.877 54.894 52.037 -0.034 0.000 0.638 250 A CB -1.355 17.616 19.000 -0.049 0.000 0.831 250 A HN 1.743 nan 8.150 nan 0.000 0.450 251 G N -0.566 108.210 108.800 -0.041 0.000 2.446 251 G HA2 -0.281 3.681 3.960 0.003 0.000 0.217 251 G HA3 -0.281 3.681 3.960 0.003 0.000 0.217 251 G C 1.197 176.122 174.900 0.042 0.000 1.168 251 G CA 1.269 46.345 45.100 -0.040 0.000 0.771 251 G HN 0.526 nan 8.290 nan 0.000 0.551 252 D N 0.988 121.396 120.400 0.014 0.000 2.144 252 D HA -0.036 4.606 4.640 0.003 0.000 0.200 252 D C 2.835 179.117 176.300 -0.029 0.000 0.978 252 D CA 1.155 55.153 54.000 -0.002 0.000 0.833 252 D CB -0.336 40.455 40.800 -0.014 0.000 0.961 252 D HN 0.325 nan 8.370 nan 0.000 0.470 253 A N 0.618 123.423 122.820 -0.025 0.000 1.933 253 A HA -0.164 4.157 4.320 0.003 0.000 0.218 253 A C 2.062 179.625 177.584 -0.035 0.000 1.175 253 A CA 0.838 52.838 52.037 -0.062 0.000 0.628 253 A CB -0.948 18.007 19.000 -0.075 0.000 0.814 253 A HN 0.236 nan 8.150 nan 0.000 0.444 254 F N 0.623 120.497 119.950 -0.127 0.000 2.102 254 F HA -0.165 4.364 4.527 0.003 0.000 0.298 254 F C 2.186 177.904 175.800 -0.138 0.000 1.105 254 F CA 2.090 60.015 58.000 -0.126 0.000 1.239 254 F CB -0.145 38.788 39.000 -0.113 0.000 0.991 254 F HN 0.032 nan 8.300 nan 0.000 0.474 255 V N 0.267 120.226 119.914 0.075 0.000 2.427 255 V HA -0.179 3.943 4.120 0.003 0.000 0.248 255 V C 2.707 178.687 176.094 -0.191 0.000 1.051 255 V CA 1.737 64.011 62.300 -0.043 0.000 1.048 255 V CB -1.518 30.338 31.823 0.055 0.000 0.666 255 V HN 0.554 nan 8.190 nan 0.000 0.456 256 G N 0.333 109.020 108.800 -0.189 0.000 2.421 256 G HA2 -0.159 3.802 3.960 0.003 0.000 0.216 256 G HA3 -0.159 3.802 3.960 0.003 0.000 0.216 256 G C 1.645 176.434 174.900 -0.185 0.000 1.171 256 G CA 0.936 45.914 45.100 -0.203 0.000 0.775 256 G HN 0.564 nan 8.290 nan 0.000 0.543 257 G N 0.653 109.323 108.800 -0.216 0.000 2.418 257 G HA2 -0.138 3.824 3.960 0.003 0.000 0.217 257 G HA3 -0.138 3.824 3.960 0.003 0.000 0.217 257 G C 1.754 176.512 174.900 -0.237 0.000 1.158 257 G CA 0.985 45.966 45.100 -0.198 0.000 0.771 257 G HN 0.370 nan 8.290 nan 0.000 0.545 258 L N 0.349 121.338 121.223 -0.389 0.000 2.017 258 L HA 0.082 4.424 4.340 0.003 0.000 0.208 258 L C 2.796 179.392 176.870 -0.456 0.000 1.073 258 L CA 1.324 55.892 54.840 -0.453 0.000 0.745 258 L CB -0.360 41.399 42.059 -0.500 0.000 0.894 258 L HN 0.197 nan 8.230 nan 0.000 0.432 259 L N -1.977 119.003 121.223 -0.406 0.000 2.083 259 L HA -0.230 4.112 4.340 0.003 0.000 0.209 259 L C 2.437 179.083 176.870 -0.374 0.000 1.083 259 L CA 1.197 55.745 54.840 -0.486 0.000 0.752 259 L CB -0.658 41.211 42.059 -0.317 0.000 0.899 259 L HN 0.312 nan 8.230 nan 0.000 0.433 260 F N 0.960 120.712 119.950 -0.331 0.000 2.102 260 F HA -0.233 4.295 4.527 0.003 0.000 0.298 260 F C 2.393 178.056 175.800 -0.229 0.000 1.105 260 F CA 2.126 59.981 58.000 -0.242 0.000 1.239 260 F CB -0.553 38.327 39.000 -0.200 0.000 0.991 260 F HN -0.060 nan 8.300 nan 0.000 0.474 261 T N 1.260 115.538 114.554 -0.460 0.000 2.737 261 T HA -0.117 4.235 4.350 0.003 0.000 0.265 261 T C 1.907 176.352 174.700 -0.425 0.000 1.038 261 T CA 1.333 63.141 62.100 -0.487 0.000 1.144 261 T CB -0.512 68.180 68.868 -0.293 0.000 0.866 261 T HN 0.093 nan 8.240 nan 0.000 0.434 262 L N 2.194 123.131 121.223 -0.476 0.000 2.127 262 L HA -0.041 4.301 4.340 0.003 0.000 0.211 262 L C 2.654 179.399 176.870 -0.208 0.000 1.089 262 L CA 1.555 56.133 54.840 -0.436 0.000 0.757 262 L CB -1.327 40.154 42.059 -0.964 0.000 0.899 262 L HN 0.400 nan 8.230 nan 0.000 0.434 263 S N -1.875 113.635 115.700 -0.317 0.000 2.561 263 S HA -0.074 4.398 4.470 0.003 0.000 0.225 263 S C 1.818 176.389 174.600 -0.048 0.000 0.977 263 S CA 0.053 58.228 58.200 -0.042 0.000 0.926 263 S CB -0.211 62.934 63.200 -0.092 0.000 0.769 263 S HN 0.180 nan 8.310 nan 0.000 0.533 264 R N 1.864 122.257 120.500 -0.178 0.000 2.323 264 R HA 0.527 4.869 4.340 0.003 0.000 0.198 264 R C 0.395 176.662 176.300 -0.055 0.000 0.988 264 R CA 0.376 56.375 56.100 -0.168 0.000 1.041 264 R CB -0.552 29.582 30.300 -0.277 0.000 0.926 264 R HN 0.603 nan 8.270 nan 0.000 0.476 265 A N -1.093 121.741 122.820 0.023 0.000 2.605 265 A HA 0.372 4.694 4.320 0.003 0.000 0.294 265 A C -0.219 177.400 177.584 0.059 0.000 1.062 265 A CA -0.812 51.239 52.037 0.023 0.000 0.682 265 A CB 0.815 19.820 19.000 0.007 0.000 1.278 265 A HN 0.045 nan 8.150 nan 0.000 0.410 266 N N -0.273 118.357 118.700 -0.117 0.000 2.120 266 N HA -0.071 4.671 4.740 0.003 0.000 0.188 266 N C 0.312 175.704 175.510 -0.197 0.000 1.024 266 N CA 1.517 54.297 53.050 -0.450 0.000 0.852 266 N CB -0.310 37.508 38.487 -1.115 0.000 1.003 266 N HN 0.616 nan 8.380 nan 0.000 0.424 267 C N 1.285 120.513 119.300 -0.120 0.000 2.493 267 C HA 0.485 4.947 4.460 0.003 0.000 0.326 267 C C -0.327 174.662 174.990 -0.002 0.000 1.200 267 C CA -1.201 57.769 59.018 -0.080 0.000 1.739 267 C CB 0.851 28.504 27.740 -0.145 0.000 2.300 267 C HN 0.428 nan 8.230 nan 0.000 0.500 268 W N 2.712 123.949 121.300 -0.105 0.000 2.478 268 W HA 0.619 5.281 4.660 0.003 0.000 0.318 268 W C -0.831 175.657 176.519 -0.052 0.000 1.062 268 W CA -0.795 56.509 57.345 -0.068 0.000 1.210 268 W CB 0.536 29.966 29.460 -0.050 0.000 1.325 268 W HN 0.769 nan 8.180 nan 0.000 0.496 269 D N -0.522 119.956 120.400 0.131 0.000 2.689 269 D HA 0.114 4.756 4.640 0.003 0.000 0.255 269 D C 1.531 177.925 176.300 0.157 0.000 1.113 269 D CA -0.525 53.512 54.000 0.061 0.000 1.115 269 D CB 0.390 41.200 40.800 0.017 0.000 1.334 269 D HN 0.403 nan 8.370 nan 0.000 0.621 270 H N 0.089 119.179 119.070 0.033 0.000 2.268 270 H HA -0.288 4.270 4.556 0.003 0.000 0.288 270 H C 1.796 177.138 175.328 0.023 0.000 1.088 270 H CA 3.180 59.238 56.048 0.018 0.000 1.182 270 H CB -0.598 29.148 29.762 -0.027 0.000 1.348 270 H HN 0.510 nan 8.280 nan 0.000 0.499 271 A N 1.922 124.932 122.820 0.316 0.000 1.908 271 A HA -0.144 4.178 4.320 0.003 0.000 0.218 271 A C 2.856 180.493 177.584 0.088 0.000 1.181 271 A CA 1.601 53.763 52.037 0.208 0.000 0.627 271 A CB -0.917 18.152 19.000 0.115 0.000 0.818 271 A HN 0.488 nan 8.150 nan 0.000 0.445 272 L N -0.917 120.348 121.223 0.070 0.000 2.017 272 L HA -0.135 4.207 4.340 0.003 0.000 0.208 272 L C 2.476 179.322 176.870 -0.040 0.000 1.073 272 L CA 2.132 56.984 54.840 0.020 0.000 0.745 272 L CB -0.864 41.233 42.059 0.065 0.000 0.894 272 L HN 0.459 nan 8.230 nan 0.000 0.432 273 L N 0.379 121.601 121.223 -0.002 0.000 2.083 273 L HA -0.117 4.225 4.340 0.003 0.000 0.209 273 L C 2.577 179.315 176.870 -0.219 0.000 1.083 273 L CA 2.066 56.845 54.840 -0.101 0.000 0.752 273 L CB -0.800 41.268 42.059 0.016 0.000 0.899 273 L HN 0.234 nan 8.230 nan 0.000 0.433 274 A N -1.149 121.586 122.820 -0.143 0.000 1.968 274 A HA -0.201 4.121 4.320 0.003 0.000 0.217 274 A C 2.298 179.742 177.584 -0.233 0.000 1.169 274 A CA 1.445 53.389 52.037 -0.155 0.000 0.638 274 A CB -0.543 18.563 19.000 0.178 0.000 0.812 274 A HN 0.587 nan 8.150 nan 0.000 0.446 275 E N -0.075 120.046 120.200 -0.131 0.000 2.107 275 E HA -0.014 4.338 4.350 0.003 0.000 0.191 275 E C 2.056 178.530 176.600 -0.210 0.000 0.982 275 E CA 0.894 57.221 56.400 -0.122 0.000 0.809 275 E CB -0.241 29.418 29.700 -0.068 0.000 0.756 275 E HN 0.508 nan 8.360 nan 0.000 0.459 276 A N 1.032 123.691 122.820 -0.268 0.000 1.902 276 A HA -0.160 4.162 4.320 0.003 0.000 0.217 276 A C 2.159 179.481 177.584 -0.436 0.000 1.181 276 A CA 1.334 53.170 52.037 -0.335 0.000 0.623 276 A CB -0.633 18.144 19.000 -0.372 0.000 0.818 276 A HN 0.354 nan 8.150 nan 0.000 0.443 277 I N -0.180 120.067 120.570 -0.538 0.000 2.394 277 I HA -0.200 3.972 4.170 0.003 0.000 0.251 277 I C 2.555 178.384 176.117 -0.481 0.000 1.136 277 I CA 1.219 62.141 61.300 -0.630 0.000 1.425 277 I CB -0.263 37.176 38.000 -0.935 0.000 1.079 277 I HN 0.231 nan 8.210 nan 0.000 0.425 278 S N 0.850 116.319 115.700 -0.385 0.000 2.355 278 S HA -0.194 4.278 4.470 0.003 0.000 0.222 278 S C 1.812 176.327 174.600 -0.141 0.000 1.031 278 S CA 1.724 59.824 58.200 -0.166 0.000 0.993 278 S CB -0.429 62.726 63.200 -0.075 0.000 0.859 278 S HN 0.442 nan 8.310 nan 0.000 0.453 279 N N 1.714 120.306 118.700 -0.180 0.000 2.166 279 N HA -0.013 4.729 4.740 0.003 0.000 0.186 279 N C 1.617 176.986 175.510 -0.234 0.000 1.019 279 N CA 1.328 54.291 53.050 -0.146 0.000 0.856 279 N CB -0.446 37.973 38.487 -0.112 0.000 0.993 279 N HN 0.332 nan 8.380 nan 0.000 0.426 280 A N 0.456 123.014 122.820 -0.436 0.000 1.908 280 A HA -0.149 4.173 4.320 0.003 0.000 0.218 280 A C 2.081 179.414 177.584 -0.418 0.000 1.181 280 A CA 1.499 53.073 52.037 -0.771 0.000 0.627 280 A CB -0.644 17.355 19.000 -1.669 0.000 0.818 280 A HN 0.369 nan 8.150 nan 0.000 0.445 281 N N 0.171 118.777 118.700 -0.156 0.000 2.216 281 N HA -0.064 4.678 4.740 0.003 0.000 0.183 281 N C 1.965 177.527 175.510 0.087 0.000 1.017 281 N CA 1.367 54.491 53.050 0.124 0.000 0.861 281 N CB -0.513 38.055 38.487 0.135 0.000 0.986 281 N HN 0.458 nan 8.380 nan 0.000 0.428 282 A N 0.957 123.804 122.820 0.045 0.000 1.865 282 A HA -0.181 4.141 4.320 0.003 0.000 0.217 282 A C 2.710 180.263 177.584 -0.052 0.000 1.191 282 A CA 1.569 53.667 52.037 0.102 0.000 0.623 282 A CB -1.105 17.950 19.000 0.091 0.000 0.826 282 A HN 0.444 nan 8.150 nan 0.000 0.444 283 C N -0.970 118.269 119.300 -0.102 0.000 2.429 283 C HA 0.020 4.482 4.460 0.003 0.000 0.277 283 C C 3.000 177.919 174.990 -0.118 0.000 1.262 283 C CA 0.452 59.377 59.018 -0.155 0.000 1.733 283 C CB -1.780 25.860 27.740 -0.168 0.000 2.010 283 C HN 0.721 nan 8.230 nan 0.000 0.483 284 G N 0.492 109.286 108.800 -0.010 0.000 2.442 284 G HA2 -0.069 3.893 3.960 0.003 0.000 0.219 284 G HA3 -0.069 3.893 3.960 0.003 0.000 0.219 284 G C 1.810 176.694 174.900 -0.026 0.000 1.141 284 G CA 1.256 46.387 45.100 0.053 0.000 0.763 284 G HN 0.638 nan 8.290 nan 0.000 0.554 285 A N 0.966 123.758 122.820 -0.046 0.000 1.832 285 A HA 0.083 4.404 4.320 0.003 0.000 0.214 285 A C 2.441 179.863 177.584 -0.270 0.000 1.200 285 A CA 1.767 53.755 52.037 -0.081 0.000 0.610 285 A CB -0.480 18.568 19.000 0.081 0.000 0.842 285 A HN 0.319 nan 8.150 nan 0.000 0.444 286 M N -0.101 119.159 119.600 -0.567 0.000 2.255 286 M HA -0.205 4.276 4.480 0.003 0.000 0.259 286 M C 1.793 177.919 176.300 -0.291 0.000 1.071 286 M CA 1.348 56.299 55.300 -0.581 0.000 1.074 286 M CB -0.534 31.689 32.600 -0.628 0.000 1.384 286 M HN 0.449 nan 8.290 nan 0.000 0.415 287 A N -0.352 122.338 122.820 -0.217 0.000 2.412 287 A HA 0.313 4.635 4.320 0.003 0.000 0.253 287 A C 1.397 178.921 177.584 -0.100 0.000 1.334 287 A CA 0.147 52.098 52.037 -0.143 0.000 0.929 287 A CB -0.205 18.724 19.000 -0.118 0.000 0.983 287 A HN 0.307 nan 8.150 nan 0.000 0.508 288 V N -1.834 118.020 119.914 -0.101 0.000 3.213 288 V HA -0.063 4.059 4.120 0.003 0.000 0.260 288 V C 2.178 178.248 176.094 -0.040 0.000 1.663 288 V CA 1.280 63.546 62.300 -0.057 0.000 1.026 288 V CB 0.332 32.133 31.823 -0.037 0.000 0.874 288 V HN 0.679 nan 8.190 nan 0.000 0.410 289 T N -1.191 113.328 114.554 -0.057 0.000 3.014 289 T HA 0.343 4.695 4.350 0.003 0.000 0.263 289 T C 0.938 175.625 174.700 -0.022 0.000 1.078 289 T CA 0.984 63.073 62.100 -0.018 0.000 1.135 289 T CB 0.276 69.145 68.868 0.001 0.000 0.895 289 T HN 0.466 nan 8.240 nan 0.000 0.480 290 A N 1.415 124.207 122.820 -0.047 0.000 2.450 290 A HA 0.827 5.149 4.320 0.003 0.000 0.281 290 A C 0.264 177.830 177.584 -0.029 0.000 1.372 290 A CA -0.351 51.665 52.037 -0.035 0.000 0.886 290 A CB 0.171 19.141 19.000 -0.050 0.000 1.462 290 A HN 0.762 nan 8.150 nan 0.000 0.514 291 K N -1.312 119.074 120.400 -0.024 0.000 2.318 291 K HA 0.731 5.053 4.320 0.003 0.000 0.249 291 K C 0.404 176.991 176.600 -0.023 0.000 0.942 291 K CA 0.108 56.384 56.287 -0.019 0.000 0.808 291 K CB 0.880 33.374 32.500 -0.010 0.000 1.189 291 K HN 2.796 nan 8.250 nan 0.000 0.428 292 G N -0.883 107.904 108.800 -0.022 0.000 2.631 292 G HA2 0.411 4.372 3.960 0.003 0.000 0.504 292 G HA3 0.411 4.372 3.960 0.003 0.000 0.504 292 G C 0.682 175.562 174.900 -0.033 0.000 1.306 292 G CA 0.419 45.505 45.100 -0.022 0.000 0.897 292 G HN 1.809 nan 8.290 nan 0.000 0.520 293 A N -1.232 121.568 122.820 -0.034 0.000 2.080 293 A HA 0.629 4.951 4.320 0.003 0.000 0.211 293 A C 2.331 179.878 177.584 -0.062 0.000 1.708 293 A CA 1.662 53.673 52.037 -0.043 0.000 0.825 293 A CB -0.327 18.657 19.000 -0.028 0.000 1.261 293 A HN 1.355 nan 8.150 nan 0.000 0.573 294 M N 1.213 120.778 119.600 -0.058 0.000 2.296 294 M HA -0.087 4.395 4.480 0.003 0.000 0.265 294 M C 1.438 177.681 176.300 -0.094 0.000 1.064 294 M CA 1.840 57.093 55.300 -0.079 0.000 1.109 294 M CB -0.091 32.465 32.600 -0.074 0.000 1.396 294 M HN 0.536 nan 8.290 nan 0.000 0.430 295 T N -2.428 112.088 114.554 -0.064 0.000 3.366 295 T HA 0.433 4.785 4.350 0.003 0.000 0.249 295 T C 0.740 175.398 174.700 -0.070 0.000 1.028 295 T CA 0.234 62.303 62.100 -0.051 0.000 0.938 295 T CB -0.068 68.791 68.868 -0.014 0.000 1.046 295 T HN 0.354 nan 8.240 nan 0.000 0.587 296 A N 0.729 123.483 122.820 -0.110 0.000 2.340 296 A HA 0.502 4.824 4.320 0.003 0.000 0.213 296 A C 0.731 178.197 177.584 -0.196 0.000 1.299 296 A CA -0.436 51.526 52.037 -0.126 0.000 0.994 296 A CB 0.242 19.179 19.000 -0.105 0.000 1.132 296 A HN 0.523 nan 8.150 nan 0.000 0.519 297 L N 2.723 123.806 121.223 -0.234 0.000 2.499 297 L HA 0.183 4.525 4.340 0.003 0.000 0.273 297 L C -1.967 174.610 176.870 -0.488 0.000 1.195 297 L CA -1.098 53.550 54.840 -0.320 0.000 0.882 297 L CB 0.121 41.992 42.059 -0.313 0.000 1.133 297 L HN 0.233 nan 8.230 nan 0.000 0.483 298 P HA 0.372 nan 4.420 nan 0.000 0.281 298 P C -1.172 175.739 177.300 -0.649 0.000 1.281 298 P CA -0.419 62.401 63.100 -0.466 0.000 0.811 298 P CB 0.966 32.507 31.700 -0.264 0.000 1.154 299 F N -0.988 118.895 119.950 -0.112 0.000 2.538 299 F HA 0.374 4.903 4.527 0.003 0.000 0.325 299 F C -0.891 174.843 175.800 -0.110 0.000 1.066 299 F CA -2.186 55.745 58.000 -0.115 0.000 0.946 299 F CB 0.522 39.472 39.000 -0.082 0.000 1.199 299 F HN 0.195 nan 8.300 nan 0.000 0.473 300 P HA -0.234 nan 4.420 nan 0.000 0.218 300 P C 0.523 177.848 177.300 0.040 0.000 1.150 300 P CA 1.787 64.884 63.100 -0.006 0.000 0.841 300 P CB 0.359 32.045 31.700 -0.022 0.000 0.784 301 D N -0.577 119.869 120.400 0.076 0.000 2.103 301 D HA -0.110 4.532 4.640 0.003 0.000 0.199 301 D C 2.395 178.744 176.300 0.081 0.000 0.978 301 D CA 1.021 55.058 54.000 0.062 0.000 0.829 301 D CB -0.611 40.212 40.800 0.037 0.000 0.981 301 D HN 0.281 nan 8.370 nan 0.000 0.464 302 Q N -0.172 119.700 119.800 0.119 0.000 2.124 302 Q HA -0.137 4.204 4.340 0.003 0.000 0.202 302 Q C 2.162 178.226 176.000 0.107 0.000 0.977 302 Q CA 0.602 56.474 55.803 0.115 0.000 0.850 302 Q CB -0.169 28.652 28.738 0.138 0.000 0.901 302 Q HN 0.225 nan 8.270 nan 0.000 0.429 303 L N 1.708 122.971 121.223 0.066 0.000 2.042 303 L HA -0.199 4.143 4.340 0.003 0.000 0.210 303 L C 1.781 178.744 176.870 0.155 0.000 1.076 303 L CA 1.672 56.561 54.840 0.081 0.000 0.749 303 L CB -0.486 41.578 42.059 0.008 0.000 0.893 303 L HN 0.178 nan 8.230 nan 0.000 0.432 304 N N -1.326 117.435 118.700 0.101 0.000 2.135 304 N HA -0.129 4.613 4.740 0.003 0.000 0.186 304 N C 1.689 177.250 175.510 0.086 0.000 1.027 304 N CA 1.866 54.966 53.050 0.082 0.000 0.849 304 N CB -0.580 37.939 38.487 0.053 0.000 1.002 304 N HN 0.355 nan 8.380 nan 0.000 0.425 305 T N 1.225 115.835 114.554 0.094 0.000 2.737 305 T HA -0.163 4.189 4.350 0.003 0.000 0.269 305 T C 1.643 176.406 174.700 0.105 0.000 1.040 305 T CA 1.039 63.190 62.100 0.084 0.000 1.142 305 T CB -0.393 68.528 68.868 0.087 0.000 0.861 305 T HN 0.254 nan 8.240 nan 0.000 0.456 306 F N 0.958 120.912 119.950 0.007 0.000 2.187 306 F HA 0.100 4.629 4.527 0.003 0.000 0.295 306 F C 1.881 177.684 175.800 0.004 0.000 1.091 306 F CA 0.509 58.512 58.000 0.005 0.000 1.308 306 F CB -0.453 38.547 39.000 0.000 0.000 1.030 306 F HN -0.036 nan 8.300 nan 0.000 0.487 307 L N 0.212 121.457 121.223 0.037 0.000 1.989 307 L HA -0.135 4.207 4.340 0.003 0.000 0.211 307 L C 1.575 178.368 176.870 -0.129 0.000 1.071 307 L CA 1.903 56.709 54.840 -0.056 0.000 0.749 307 L CB -1.054 41.044 42.059 0.065 0.000 0.890 307 L HN 0.198 nan 8.230 nan 0.000 0.431 308 S N -0.161 115.500 115.700 -0.066 0.000 3.483 308 S HA 0.360 4.832 4.470 0.003 0.000 0.274 308 S C 0.014 174.566 174.600 -0.080 0.000 1.289 308 S CA -0.369 57.796 58.200 -0.059 0.000 0.938 308 S CB -0.416 62.772 63.200 -0.020 0.000 1.453 308 S HN 0.341 nan 8.310 nan 0.000 0.494 309 S N 0.000 115.626 115.700 -0.124 0.000 2.498 309 S HA 0.000 4.472 4.470 0.003 0.000 0.327 309 S CA 0.000 58.132 58.200 -0.113 0.000 1.107 309 S CB 0.000 63.091 63.200 -0.181 0.000 0.593 309 S HN 0.000 nan 8.310 nan 0.000 0.517