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 2g7p_1_A DATA FIRST_RESID 1 DATA SEQUENCE MFVNKQFNYK DPVNGVDIAY IKIPNAGQMQ PVKAFKIHNK IWVIPERDTF DATA SEQUENCE TNPEEGDLNP PPEAXXXXVS YYDSTYLSTD NEKDNYLKGV TKLFERIYST DATA SEQUENCE DLGRMLLTSI VRGIPFWGGS TIDTELKVID TNCINVIQPD GSYRSEELNL DATA SEQUENCE VIIGPSADII QFECKSFGHD VLNLTRNGYG STQYIRFSPD FTFGFEESLE DATA SEQUENCE VDTNPLLGAG KFATDPAVTL AHELIHAEHR LYGIAINPNR VFKVNTNAYY DATA SEQUENCE EXXGLEVSFE ELRTFGGHDA KFIDSLQENE FRLYYYNKFK DVASTLNKAK DATA SEQUENCE SIIGTTASLQ YMKNVFKEKY LLSEDTSGKF SVDKLKFDKL YKMLTEIYTE DATA SEQUENCE DNFVNFFKVI NAKTFLNFDK AVFRINIVPD ENYTIKDGFN LKGANLSTNF DATA SEQUENCE NGQNTEINSR NFTRLKN VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.390 176.300 0.151 0.000 1.140 1 M CA 0.000 55.431 55.300 0.219 0.000 0.988 1 M CB 0.000 32.670 32.600 0.117 0.000 1.302 2 F N 1.098 120.994 119.950 -0.090 0.000 2.095 2 F HA 0.078 4.605 4.527 -0.000 0.000 0.298 2 F C 0.654 176.418 175.800 -0.060 0.000 1.104 2 F CA 1.657 59.436 58.000 -0.368 0.000 1.232 2 F CB 0.565 39.240 39.000 -0.543 0.000 0.987 2 F HN 0.270 nan 8.300 nan 0.000 0.475 3 V N 1.692 121.614 119.914 0.012 0.000 2.294 3 V HA 0.138 4.258 4.120 -0.000 0.000 0.272 3 V C -0.145 175.927 176.094 -0.036 0.000 1.027 3 V CA -0.449 61.829 62.300 -0.038 0.000 0.823 3 V CB 0.700 32.566 31.823 0.072 0.000 1.030 3 V HN 0.129 nan 8.190 nan 0.000 0.457 4 N N 3.725 122.367 118.700 -0.098 0.000 2.410 4 N HA 0.182 4.922 4.740 -0.000 0.000 0.231 4 N C -0.113 175.306 175.510 -0.152 0.000 1.172 4 N CA 0.138 53.128 53.050 -0.100 0.000 0.849 4 N CB 0.064 38.486 38.487 -0.108 0.000 1.116 4 N HN 0.625 nan 8.380 nan 0.000 0.485 5 K N 0.107 120.387 120.400 -0.200 0.000 2.557 5 K HA 0.135 4.455 4.320 -0.000 0.000 0.257 5 K C -1.487 174.841 176.600 -0.453 0.000 0.933 5 K CA -0.684 55.364 56.287 -0.397 0.000 0.820 5 K CB 1.440 33.546 32.500 -0.656 0.000 1.330 5 K HN 0.010 nan 8.250 nan 0.000 0.432 6 Q N 4.145 123.719 119.800 -0.376 0.000 2.307 6 Q HA 0.200 4.540 4.340 -0.000 0.000 0.259 6 Q C -1.444 174.350 176.000 -0.344 0.000 0.998 6 Q CA -0.116 55.544 55.803 -0.239 0.000 0.923 6 Q CB 0.390 29.048 28.738 -0.133 0.000 1.196 6 Q HN 0.334 nan 8.270 nan 0.000 0.416 7 F N 3.210 123.137 119.950 -0.038 0.000 2.458 7 F HA 0.435 4.962 4.527 -0.000 0.000 0.336 7 F C 0.120 175.870 175.800 -0.082 0.000 1.114 7 F CA -0.748 57.223 58.000 -0.048 0.000 0.987 7 F CB 1.519 40.456 39.000 -0.106 0.000 1.130 7 F HN 0.480 nan 8.300 nan 0.000 0.458 8 N N 2.664 121.469 118.700 0.175 0.000 2.314 8 N HA 0.072 4.812 4.740 -0.000 0.000 0.294 8 N C 0.508 176.104 175.510 0.144 0.000 1.029 8 N CA -0.565 52.552 53.050 0.112 0.000 0.845 8 N CB 1.518 40.064 38.487 0.100 0.000 1.321 8 N HN 0.655 nan 8.380 nan 0.000 0.481 9 Y N 2.744 123.043 120.300 -0.001 0.000 2.151 9 Y HA -0.198 4.352 4.550 -0.000 0.000 0.284 9 Y C 1.580 177.639 175.900 0.266 0.000 1.166 9 Y CA 1.947 60.115 58.100 0.112 0.000 1.163 9 Y CB 0.230 38.726 38.460 0.061 0.000 0.974 9 Y HN 0.452 nan 8.280 nan 0.000 0.511 10 K N 0.483 120.995 120.400 0.187 0.000 2.525 10 K HA -0.048 4.272 4.320 -0.000 0.000 0.192 10 K C -0.185 176.457 176.600 0.070 0.000 1.029 10 K CA 0.249 56.605 56.287 0.115 0.000 1.029 10 K CB -0.167 32.422 32.500 0.148 0.000 0.814 10 K HN 0.271 nan 8.250 nan 0.000 0.503 11 D N 2.768 123.230 120.400 0.105 0.000 2.443 11 D HA 0.020 4.660 4.640 -0.000 0.000 0.239 11 D C -2.205 174.114 176.300 0.032 0.000 1.136 11 D CA -1.390 52.666 54.000 0.093 0.000 0.879 11 D CB 0.547 41.446 40.800 0.164 0.000 1.195 11 D HN 0.066 nan 8.370 nan 0.000 0.443 12 P HA -0.021 nan 4.420 nan 0.000 0.271 12 P C 0.027 177.312 177.300 -0.026 0.000 1.216 12 P CA -0.441 62.660 63.100 0.002 0.000 0.776 12 P CB 0.607 32.317 31.700 0.017 0.000 0.881 13 V N 0.730 120.614 119.914 -0.050 0.000 2.763 13 V HA 0.068 4.188 4.120 -0.000 0.000 0.306 13 V C 0.951 177.033 176.094 -0.019 0.000 1.059 13 V CA 0.306 62.560 62.300 -0.078 0.000 1.138 13 V CB -0.448 31.352 31.823 -0.038 0.000 0.940 13 V HN 0.719 nan 8.190 nan 0.000 0.489 14 N N 1.387 120.077 118.700 -0.018 0.000 2.143 14 N HA 0.331 5.071 4.740 -0.000 0.000 0.222 14 N C 1.152 176.670 175.510 0.013 0.000 1.264 14 N CA 0.348 53.400 53.050 0.002 0.000 0.897 14 N CB 0.878 39.367 38.487 0.004 0.000 1.092 14 N HN 1.620 nan 8.380 nan 0.000 0.516 15 G N -0.539 108.274 108.800 0.022 0.000 2.184 15 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.264 15 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.264 15 G C 0.554 175.498 174.900 0.073 0.000 0.975 15 G CA 0.848 45.977 45.100 0.048 0.000 0.642 15 G HN 0.273 nan 8.290 nan 0.000 0.536 16 V N 0.511 120.457 119.914 0.052 0.000 2.939 16 V HA 0.226 4.346 4.120 -0.000 0.000 0.228 16 V C 1.852 177.940 176.094 -0.010 0.000 1.162 16 V CA 1.990 64.314 62.300 0.040 0.000 1.222 16 V CB 0.194 32.018 31.823 0.002 0.000 1.053 16 V HN 0.438 nan 8.190 nan 0.000 0.504 17 D N -0.872 119.492 120.400 -0.059 0.000 2.469 17 D HA 0.240 4.880 4.640 -0.000 0.000 0.213 17 D C 0.129 176.315 176.300 -0.190 0.000 1.135 17 D CA 0.202 54.080 54.000 -0.204 0.000 0.834 17 D CB 0.400 41.173 40.800 -0.044 0.000 1.009 17 D HN 0.409 nan 8.370 nan 0.000 0.507 18 I N 0.762 121.272 120.570 -0.099 0.000 2.500 18 I HA 0.694 4.864 4.170 -0.000 0.000 0.286 18 I C -0.996 174.992 176.117 -0.215 0.000 1.063 18 I CA -0.834 60.298 61.300 -0.281 0.000 1.062 18 I CB 1.911 39.808 38.000 -0.172 0.000 1.223 18 I HN 0.101 nan 8.210 nan 0.000 0.435 19 A N 4.787 127.437 122.820 -0.283 0.000 2.586 19 A HA 0.656 4.976 4.320 -0.000 0.000 0.291 19 A C -2.058 175.346 177.584 -0.302 0.000 1.062 19 A CA -0.516 51.411 52.037 -0.183 0.000 0.666 19 A CB 0.975 19.989 19.000 0.023 0.000 1.281 19 A HN 0.507 nan 8.150 nan 0.000 0.421 20 Y N 0.894 121.124 120.300 -0.117 0.000 2.359 20 Y HA 0.519 5.069 4.550 -0.000 0.000 0.334 20 Y C 0.824 176.647 175.900 -0.128 0.000 1.058 20 Y CA 0.646 58.675 58.100 -0.118 0.000 1.244 20 Y CB 0.941 39.350 38.460 -0.086 0.000 1.187 20 Y HN 0.683 nan 8.280 nan 0.000 0.510 21 I N -0.097 120.438 120.570 -0.058 0.000 3.067 21 I HA 0.751 4.921 4.170 -0.000 0.000 0.312 21 I C -1.455 174.584 176.117 -0.130 0.000 1.073 21 I CA -1.440 59.773 61.300 -0.145 0.000 1.016 21 I CB 2.603 40.402 38.000 -0.334 0.000 1.227 21 I HN 0.336 nan 8.210 nan 0.000 0.456 22 K N 3.534 123.852 120.400 -0.136 0.000 2.426 22 K HA 0.602 4.922 4.320 -0.000 0.000 0.254 22 K C -1.051 175.469 176.600 -0.133 0.000 0.936 22 K CA -0.425 55.785 56.287 -0.128 0.000 0.801 22 K CB 2.336 34.791 32.500 -0.075 0.000 1.139 22 K HN 0.508 nan 8.250 nan 0.000 0.424 23 I N 4.296 124.796 120.570 -0.117 0.000 2.662 23 I HA 0.224 4.394 4.170 -0.000 0.000 0.291 23 I C -1.845 174.185 176.117 -0.144 0.000 1.046 23 I CA -2.113 59.162 61.300 -0.042 0.000 1.361 23 I CB 0.958 39.008 38.000 0.083 0.000 1.429 23 I HN 0.377 nan 8.210 nan 0.000 0.558 24 P HA 0.023 nan 4.420 nan 0.000 0.272 24 P C -0.299 176.614 177.300 -0.645 0.000 1.254 24 P CA -0.167 62.650 63.100 -0.472 0.000 0.795 24 P CB 0.222 31.564 31.700 -0.598 0.000 1.022 25 N N -0.883 117.495 118.700 -0.536 0.000 2.712 25 N HA -0.237 4.503 4.740 -0.000 0.000 0.261 25 N C 0.141 175.540 175.510 -0.185 0.000 0.950 25 N CA 0.844 53.671 53.050 -0.371 0.000 0.821 25 N CB -1.041 37.172 38.487 -0.456 0.000 0.919 25 N HN 0.399 nan 8.380 nan 0.000 0.551 26 A N -0.844 121.907 122.820 -0.116 0.000 2.460 26 A HA 0.579 4.899 4.320 -0.000 0.000 0.258 26 A C 1.911 179.521 177.584 0.043 0.000 1.300 26 A CA 0.782 52.837 52.037 0.029 0.000 0.913 26 A CB -0.244 18.789 19.000 0.055 0.000 1.031 26 A HN 0.850 nan 8.150 nan 0.000 0.512 27 G N 0.873 109.673 108.800 0.000 0.000 5.266 27 G HA2 -0.456 3.503 3.960 -0.000 0.000 0.262 27 G HA3 -0.456 3.503 3.960 -0.000 0.000 0.262 27 G C 0.733 175.637 174.900 0.006 0.000 1.359 27 G CA 1.377 46.482 45.100 0.008 0.000 0.955 27 G HN 1.486 nan 8.290 nan 0.000 0.754 28 Q N -0.766 119.052 119.800 0.029 0.000 1.720 28 Q HA 0.283 4.623 4.340 -0.000 0.000 0.164 28 Q C 0.876 176.905 176.000 0.047 0.000 0.781 28 Q CA 0.561 56.379 55.803 0.025 0.000 0.818 28 Q CB -0.867 27.884 28.738 0.021 0.000 1.228 28 Q HN 1.212 nan 8.270 nan 0.000 0.376 29 M N 0.232 119.884 119.600 0.085 0.000 2.156 29 M HA -0.047 4.433 4.480 -0.000 0.000 0.324 29 M C -0.085 176.257 176.300 0.070 0.000 0.965 29 M CA 0.829 56.212 55.300 0.139 0.000 0.952 29 M CB 0.155 32.887 32.600 0.220 0.000 1.540 29 M HN 0.138 nan 8.290 nan 0.000 0.446 30 Q N 1.820 121.678 119.800 0.096 0.000 2.354 30 Q HA 0.394 4.734 4.340 -0.000 0.000 0.244 30 Q C -2.204 173.795 176.000 -0.001 0.000 0.969 30 Q CA -1.733 54.098 55.803 0.047 0.000 0.885 30 Q CB 0.596 29.377 28.738 0.072 0.000 1.241 30 Q HN 0.478 nan 8.270 nan 0.000 0.461 31 P HA -0.037 nan 4.420 nan 0.000 0.269 31 P C -1.314 176.042 177.300 0.092 0.000 1.215 31 P CA -0.064 63.043 63.100 0.011 0.000 0.780 31 P CB 0.542 32.267 31.700 0.042 0.000 0.898 32 V N -1.136 118.800 119.914 0.037 0.000 2.735 32 V HA 0.499 4.619 4.120 -0.000 0.000 0.310 32 V C -0.262 175.802 176.094 -0.050 0.000 1.061 32 V CA -1.284 61.043 62.300 0.045 0.000 0.913 32 V CB 1.883 33.615 31.823 -0.152 0.000 1.005 32 V HN 0.305 nan 8.190 nan 0.000 0.428 33 K N 2.601 122.897 120.400 -0.174 0.000 2.383 33 K HA 0.658 4.978 4.320 -0.000 0.000 0.286 33 K C -0.050 176.372 176.600 -0.296 0.000 1.051 33 K CA 0.432 56.372 56.287 -0.579 0.000 0.974 33 K CB 0.587 32.683 32.500 -0.674 0.000 0.968 33 K HN 1.183 nan 8.250 nan 0.000 0.475 34 A N 4.082 126.652 122.820 -0.415 0.000 2.430 34 A HA 0.773 5.093 4.320 -0.000 0.000 0.300 34 A C -1.540 175.806 177.584 -0.397 0.000 1.124 34 A CA -0.783 51.178 52.037 -0.126 0.000 0.766 34 A CB 0.749 19.782 19.000 0.055 0.000 1.328 34 A HN 0.582 nan 8.150 nan 0.000 0.424 35 F N 0.214 120.190 119.950 0.044 0.000 2.529 35 F HA 0.490 5.017 4.527 -0.000 0.000 0.320 35 F C 0.289 175.766 175.800 -0.539 0.000 1.118 35 F CA -0.589 57.190 58.000 -0.368 0.000 0.915 35 F CB 2.369 40.959 39.000 -0.683 0.000 1.161 35 F HN 0.535 nan 8.300 nan 0.000 0.445 36 K N 4.641 124.517 120.400 -0.873 0.000 2.250 36 K HA 0.348 4.668 4.320 -0.000 0.000 0.280 36 K C 0.923 177.139 176.600 -0.640 0.000 1.098 36 K CA -0.158 55.415 56.287 -1.190 0.000 0.916 36 K CB 0.254 31.722 32.500 -1.719 0.000 1.209 36 K HN 0.861 nan 8.250 nan 0.000 0.461 37 I N -0.063 120.222 120.570 -0.474 0.000 3.059 37 I HA 0.151 4.321 4.170 -0.000 0.000 0.270 37 I C 0.259 176.198 176.117 -0.296 0.000 1.238 37 I CA 0.183 61.323 61.300 -0.268 0.000 1.478 37 I CB -0.076 37.766 38.000 -0.262 0.000 1.097 37 I HN 0.532 nan 8.210 nan 0.000 0.455 38 H N 0.303 119.066 119.070 -0.513 0.000 3.003 38 H HA 0.351 4.907 4.556 -0.000 0.000 0.327 38 H C -0.814 174.265 175.328 -0.415 0.000 1.353 38 H CA -0.852 54.835 56.048 -0.602 0.000 1.142 38 H CB 0.994 30.128 29.762 -1.047 0.000 1.864 38 H HN 0.072 nan 8.280 nan 0.000 0.529 39 N N 2.371 120.747 118.700 -0.540 0.000 2.359 39 N HA 0.016 4.756 4.740 -0.000 0.000 0.261 39 N C -0.285 175.215 175.510 -0.017 0.000 1.267 39 N CA 0.880 53.789 53.050 -0.236 0.000 0.864 39 N CB 0.261 38.616 38.487 -0.220 0.000 1.063 39 N HN 0.629 nan 8.380 nan 0.000 0.474 40 K N 1.024 121.431 120.400 0.012 0.000 3.547 40 K HA -0.187 4.133 4.320 -0.000 0.000 0.309 40 K C -0.637 176.053 176.600 0.150 0.000 1.324 40 K CA 0.950 57.309 56.287 0.119 0.000 0.988 40 K CB -2.174 30.399 32.500 0.122 0.000 1.261 40 K HN 0.634 nan 8.250 nan 0.000 0.444 41 I N 0.216 120.811 120.570 0.041 0.000 2.439 41 I HA 0.350 4.520 4.170 -0.000 0.000 0.285 41 I C -0.283 175.797 176.117 -0.060 0.000 1.021 41 I CA -0.753 60.573 61.300 0.043 0.000 1.091 41 I CB 1.000 38.985 38.000 -0.024 0.000 1.242 41 I HN -0.087 nan 8.210 nan 0.000 0.439 42 W N 5.152 126.410 121.300 -0.071 0.000 2.736 42 W HA 0.738 5.398 4.660 -0.000 0.000 0.355 42 W C -0.741 175.770 176.519 -0.014 0.000 1.102 42 W CA -0.755 56.550 57.345 -0.066 0.000 1.164 42 W CB 1.460 30.881 29.460 -0.065 0.000 1.422 42 W HN -0.033 nan 8.180 nan 0.000 0.572 43 V N 2.996 123.096 119.914 0.310 0.000 2.638 43 V HA 0.443 4.563 4.120 -0.000 0.000 0.306 43 V C -0.624 175.680 176.094 0.350 0.000 1.052 43 V CA -1.005 61.475 62.300 0.299 0.000 0.885 43 V CB 1.649 33.621 31.823 0.248 0.000 0.999 43 V HN 0.344 nan 8.190 nan 0.000 0.424 44 I N 6.162 126.912 120.570 0.300 0.000 2.405 44 I HA 0.344 4.514 4.170 -0.000 0.000 0.280 44 I C -2.357 173.845 176.117 0.142 0.000 1.027 44 I CA -1.806 59.639 61.300 0.243 0.000 1.161 44 I CB 2.239 40.354 38.000 0.190 0.000 1.300 44 I HN 0.432 nan 8.210 nan 0.000 0.463 45 P HA 0.124 nan 4.420 nan 0.000 0.231 45 P C -0.685 176.462 177.300 -0.256 0.000 1.756 45 P CA 0.365 63.309 63.100 -0.259 0.000 0.990 45 P CB 0.009 31.715 31.700 0.011 0.000 1.973 46 E N 0.833 120.927 120.200 -0.176 0.000 2.383 46 E HA 0.340 4.690 4.350 -0.000 0.000 0.275 46 E C -0.111 176.468 176.600 -0.035 0.000 0.918 46 E CA -0.961 55.417 56.400 -0.038 0.000 0.764 46 E CB 1.743 31.581 29.700 0.230 0.000 1.252 46 E HN 0.037 nan 8.360 nan 0.000 0.449 47 R N 1.345 121.818 120.500 -0.045 0.000 2.442 47 R HA 0.083 4.423 4.340 -0.000 0.000 0.291 47 R C -0.126 176.161 176.300 -0.021 0.000 1.069 47 R CA -0.278 55.808 56.100 -0.024 0.000 1.022 47 R CB -0.032 30.244 30.300 -0.041 0.000 0.976 47 R HN 0.410 nan 8.270 nan 0.000 0.443 48 D N 1.957 122.375 120.400 0.029 0.000 2.348 48 D HA -0.005 4.635 4.640 -0.000 0.000 0.259 48 D C 0.207 176.393 176.300 -0.190 0.000 1.296 48 D CA 0.208 54.212 54.000 0.006 0.000 0.931 48 D CB 0.425 41.302 40.800 0.128 0.000 1.067 48 D HN 0.539 nan 8.370 nan 0.000 0.503 49 T N 0.528 114.718 114.554 -0.606 0.000 3.288 49 T HA 0.206 4.556 4.350 -0.000 0.000 0.293 49 T C 0.721 175.030 174.700 -0.651 0.000 1.008 49 T CA -0.433 61.325 62.100 -0.570 0.000 0.929 49 T CB -0.543 67.980 68.868 -0.575 0.000 1.152 49 T HN 0.179 nan 8.240 nan 0.000 0.517 50 F N 1.310 121.295 119.950 0.059 0.000 2.549 50 F HA 0.182 4.709 4.527 -0.000 0.000 0.275 50 F C 2.775 178.621 175.800 0.076 0.000 0.990 50 F CA 0.550 58.591 58.000 0.068 0.000 1.274 50 F CB -0.828 38.224 39.000 0.087 0.000 1.064 50 F HN 0.247 nan 8.300 nan 0.000 0.715 51 T N -1.022 113.653 114.554 0.202 0.000 2.759 51 T HA -0.182 4.168 4.350 -0.000 0.000 0.269 51 T C 0.725 175.437 174.700 0.021 0.000 1.042 51 T CA 1.525 63.630 62.100 0.009 0.000 1.140 51 T CB -0.638 68.082 68.868 -0.247 0.000 0.864 51 T HN 0.123 nan 8.240 nan 0.000 0.455 52 N N 1.289 120.001 118.700 0.021 0.000 2.354 52 N HA 0.444 5.184 4.740 -0.000 0.000 0.287 52 N C -2.437 173.090 175.510 0.029 0.000 1.016 52 N CA -2.345 50.718 53.050 0.021 0.000 0.871 52 N CB 2.322 40.806 38.487 -0.006 0.000 1.299 52 N HN -0.169 nan 8.380 nan 0.000 0.482 53 P HA -0.035 nan 4.420 nan 0.000 0.216 53 P C 0.073 177.381 177.300 0.013 0.000 1.153 53 P CA 1.165 64.283 63.100 0.031 0.000 0.844 53 P CB 0.255 31.977 31.700 0.038 0.000 0.787 54 E N -0.203 120.005 120.200 0.014 0.000 2.472 54 E HA -0.092 4.258 4.350 -0.000 0.000 0.200 54 E C 0.321 176.924 176.600 0.005 0.000 1.046 54 E CA 0.611 57.017 56.400 0.009 0.000 0.871 54 E CB -0.276 29.432 29.700 0.012 0.000 0.806 54 E HN 0.474 nan 8.360 nan 0.000 0.533 55 E N 0.038 120.238 120.200 -0.001 0.000 3.846 55 E HA 0.145 4.495 4.350 -0.000 0.000 0.216 55 E C 0.143 176.721 176.600 -0.036 0.000 1.092 55 E CA -0.275 56.121 56.400 -0.006 0.000 1.370 55 E CB 1.185 30.888 29.700 0.005 0.000 1.227 55 E HN 0.144 nan 8.360 nan 0.000 0.442 56 G N 1.873 110.649 108.800 -0.041 0.000 3.518 56 G HA2 0.056 4.016 3.960 -0.000 0.000 0.273 56 G HA3 0.056 4.016 3.960 -0.000 0.000 0.273 56 G C -0.171 174.687 174.900 -0.071 0.000 1.199 56 G CA -0.180 44.874 45.100 -0.078 0.000 0.899 56 G HN 0.329 nan 8.290 nan 0.000 0.533 57 D N -1.355 119.017 120.400 -0.046 0.000 2.756 57 D HA 0.373 5.013 4.640 -0.000 0.000 0.226 57 D C 0.224 176.518 176.300 -0.011 0.000 1.186 57 D CA -0.876 53.106 54.000 -0.030 0.000 0.845 57 D CB 1.327 42.117 40.800 -0.018 0.000 1.610 57 D HN -0.090 nan 8.370 nan 0.000 0.465 58 L N 0.984 122.205 121.223 -0.002 0.000 2.928 58 L HA 0.312 4.652 4.340 -0.000 0.000 0.246 58 L C -0.207 176.688 176.870 0.042 0.000 1.239 58 L CA -0.508 54.351 54.840 0.032 0.000 1.035 58 L CB -0.888 41.187 42.059 0.026 0.000 1.360 58 L HN 0.345 nan 8.230 nan 0.000 0.529 59 N N 1.375 120.082 118.700 0.013 0.000 2.472 59 N HA 0.267 5.007 4.740 -0.000 0.000 0.277 59 N C -2.481 172.980 175.510 -0.081 0.000 1.081 59 N CA -1.612 51.422 53.050 -0.026 0.000 0.973 59 N CB 0.737 39.202 38.487 -0.036 0.000 1.105 59 N HN -0.101 nan 8.380 nan 0.000 0.470 60 P HA 0.118 nan 4.420 nan 0.000 0.271 60 P C -1.949 175.120 177.300 -0.386 0.000 1.233 60 P CA -0.691 62.103 63.100 -0.508 0.000 0.764 60 P CB 0.424 31.841 31.700 -0.471 0.000 0.825 61 P HA 0.279 nan 4.420 nan 0.000 0.333 61 P C -1.788 175.389 177.300 -0.205 0.000 1.315 61 P CA -0.907 62.065 63.100 -0.214 0.000 0.746 61 P CB -0.501 31.125 31.700 -0.122 0.000 1.575 62 P HA 0.015 nan 4.420 nan 0.000 0.247 62 P C -0.123 177.130 177.300 -0.078 0.000 1.225 62 P CA 0.429 63.477 63.100 -0.087 0.000 0.768 62 P CB -0.041 31.630 31.700 -0.048 0.000 1.020 63 E N -1.662 118.475 120.200 -0.106 0.000 9.212 63 E HA -0.002 4.348 4.350 -0.000 0.000 0.454 63 E C -0.282 176.342 176.600 0.041 0.000 1.405 63 E CA 0.697 57.084 56.400 -0.023 0.000 2.440 63 E CB -1.319 28.362 29.700 -0.031 0.000 1.035 63 E HN 0.433 nan 8.360 nan 0.000 0.400 70 S N 5.315 121.036 115.700 0.035 0.000 2.677 70 S HA 0.953 5.423 4.470 -0.000 0.000 0.304 70 S C -1.200 173.401 174.600 0.002 0.000 1.108 70 S CA -0.776 57.406 58.200 -0.031 0.000 0.944 70 S CB 2.583 65.785 63.200 0.003 0.000 1.127 70 S HN 1.456 nan 8.310 nan 0.000 0.511 71 Y N 0.176 120.240 120.300 -0.393 0.000 2.441 71 Y HA 0.621 5.171 4.550 -0.000 0.000 0.334 71 Y C -2.340 173.238 175.900 -0.536 0.000 1.061 71 Y CA -1.216 56.685 58.100 -0.331 0.000 1.032 71 Y CB 1.198 39.443 38.460 -0.358 0.000 1.266 71 Y HN 0.818 nan 8.280 nan 0.000 0.441 72 Y N 3.563 123.410 120.300 -0.756 0.000 2.499 72 Y HA 0.573 5.123 4.550 -0.000 0.000 0.347 72 Y C -0.808 174.666 175.900 -0.710 0.000 0.987 72 Y CA -0.967 56.793 58.100 -0.567 0.000 1.044 72 Y CB 2.233 40.531 38.460 -0.270 0.000 1.245 72 Y HN 0.557 nan 8.280 nan 0.000 0.461 73 D N -0.037 120.224 120.400 -0.231 0.000 2.229 73 D HA 0.026 4.666 4.640 -0.000 0.000 0.209 73 D C 0.125 176.449 176.300 0.040 0.000 1.295 73 D CA -0.030 53.903 54.000 -0.112 0.000 0.913 73 D CB 0.408 41.132 40.800 -0.127 0.000 1.581 73 D HN 0.430 nan 8.370 nan 0.000 0.502 74 S N 1.050 116.776 115.700 0.044 0.000 2.500 74 S HA -0.155 4.315 4.470 -0.000 0.000 0.239 74 S C 1.642 176.282 174.600 0.066 0.000 0.989 74 S CA 1.560 59.793 58.200 0.056 0.000 0.951 74 S CB -0.475 62.743 63.200 0.030 0.000 0.759 74 S HN 0.544 nan 8.310 nan 0.000 0.523 75 T N -2.677 111.930 114.554 0.088 0.000 3.065 75 T HA 0.143 4.493 4.350 -0.000 0.000 0.252 75 T C 0.453 175.229 174.700 0.127 0.000 1.099 75 T CA -0.458 61.694 62.100 0.087 0.000 1.063 75 T CB -0.714 68.205 68.868 0.086 0.000 0.948 75 T HN 0.424 nan 8.240 nan 0.000 0.506 76 Y N 2.716 123.059 120.300 0.073 0.000 2.620 76 Y HA 0.334 4.884 4.550 -0.000 0.000 0.330 76 Y C 0.718 176.669 175.900 0.086 0.000 1.186 76 Y CA -1.806 56.367 58.100 0.123 0.000 1.467 76 Y CB 0.091 38.672 38.460 0.201 0.000 1.262 76 Y HN 0.179 nan 8.280 nan 0.000 0.550 77 L N 4.660 125.473 121.223 -0.683 0.000 3.608 77 L HA -0.294 4.046 4.340 -0.000 0.000 0.422 77 L C 0.711 177.391 176.870 -0.317 0.000 1.260 77 L CA 1.601 56.035 54.840 -0.676 0.000 0.889 77 L CB -1.832 39.605 42.059 -1.036 0.000 1.821 77 L HN 0.788 nan 8.230 nan 0.000 0.884 78 S N -3.970 111.629 115.700 -0.168 0.000 2.505 78 S HA 0.278 4.747 4.470 -0.000 0.000 0.216 78 S C 0.813 175.367 174.600 -0.077 0.000 1.018 78 S CA 0.338 58.483 58.200 -0.090 0.000 0.911 78 S CB 0.201 63.383 63.200 -0.030 0.000 0.818 78 S HN 0.813 nan 8.310 nan 0.000 0.497 79 T N -0.369 114.132 114.554 -0.089 0.000 2.943 79 T HA 0.498 4.848 4.350 -0.000 0.000 0.284 79 T C 0.072 174.683 174.700 -0.148 0.000 1.015 79 T CA -0.458 61.598 62.100 -0.073 0.000 1.042 79 T CB 1.264 70.112 68.868 -0.033 0.000 1.055 79 T HN -0.159 nan 8.240 nan 0.000 0.500 80 D N 0.607 120.941 120.400 -0.110 0.000 2.144 80 D HA -0.075 4.565 4.640 -0.000 0.000 0.199 80 D C 1.882 178.091 176.300 -0.151 0.000 0.984 80 D CA 0.997 54.891 54.000 -0.178 0.000 0.834 80 D CB -0.115 40.723 40.800 0.064 0.000 0.955 80 D HN 0.496 nan 8.370 nan 0.000 0.465 81 N N 0.616 119.283 118.700 -0.055 0.000 2.166 81 N HA -0.114 4.626 4.740 -0.000 0.000 0.186 81 N C 1.553 177.034 175.510 -0.047 0.000 1.019 81 N CA 0.670 53.706 53.050 -0.023 0.000 0.856 81 N CB -0.075 38.414 38.487 0.004 0.000 0.993 81 N HN 0.421 nan 8.380 nan 0.000 0.426 82 E N 0.850 121.003 120.200 -0.078 0.000 2.072 82 E HA -0.072 4.278 4.350 -0.000 0.000 0.191 82 E C 1.728 178.270 176.600 -0.097 0.000 0.985 82 E CA 0.830 57.192 56.400 -0.064 0.000 0.801 82 E CB 0.067 29.716 29.700 -0.085 0.000 0.750 82 E HN 0.347 nan 8.360 nan 0.000 0.452 83 K N 0.691 120.938 120.400 -0.256 0.000 2.147 83 K HA -0.174 4.146 4.320 -0.000 0.000 0.205 83 K C 1.836 178.350 176.600 -0.143 0.000 1.049 83 K CA 1.462 57.543 56.287 -0.343 0.000 0.936 83 K CB -0.068 31.893 32.500 -0.898 0.000 0.722 83 K HN 0.047 nan 8.250 nan 0.000 0.446 84 D N 0.968 121.302 120.400 -0.109 0.000 2.117 84 D HA -0.168 4.472 4.640 -0.000 0.000 0.198 84 D C 1.756 178.076 176.300 0.034 0.000 0.982 84 D CA 1.173 55.195 54.000 0.037 0.000 0.828 84 D CB -0.075 40.772 40.800 0.078 0.000 0.967 84 D HN 0.039 nan 8.370 nan 0.000 0.464 85 N N -1.363 117.354 118.700 0.027 0.000 2.188 85 N HA -0.217 4.523 4.740 -0.000 0.000 0.184 85 N C 1.647 177.185 175.510 0.048 0.000 1.018 85 N CA 1.084 54.149 53.050 0.026 0.000 0.858 85 N CB -0.390 38.107 38.487 0.016 0.000 0.989 85 N HN 0.293 nan 8.380 nan 0.000 0.426 86 Y N 0.483 120.760 120.300 -0.039 0.000 2.097 86 Y HA -0.161 4.389 4.550 -0.000 0.000 0.282 86 Y C 2.098 178.001 175.900 0.006 0.000 1.152 86 Y CA 1.481 59.577 58.100 -0.008 0.000 1.136 86 Y CB -0.787 37.662 38.460 -0.018 0.000 0.975 86 Y HN 0.156 nan 8.280 nan 0.000 0.498 87 L N 0.953 122.318 121.223 0.236 0.000 2.013 87 L HA -0.224 4.116 4.340 -0.000 0.000 0.212 87 L C 2.116 178.987 176.870 0.001 0.000 1.073 87 L CA 2.071 56.960 54.840 0.082 0.000 0.753 87 L CB -0.843 41.148 42.059 -0.114 0.000 0.890 87 L HN 0.100 nan 8.230 nan 0.000 0.432 88 K N -0.341 120.058 120.400 -0.001 0.000 2.057 88 K HA 0.002 4.322 4.320 -0.000 0.000 0.206 88 K C 2.004 178.591 176.600 -0.020 0.000 1.050 88 K CA 1.218 57.506 56.287 0.001 0.000 0.935 88 K CB -1.055 31.446 32.500 0.002 0.000 0.715 88 K HN 0.483 nan 8.250 nan 0.000 0.439 89 G N 0.050 108.806 108.800 -0.073 0.000 2.421 89 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.216 89 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.216 89 G C 1.589 176.440 174.900 -0.082 0.000 1.171 89 G CA 0.905 45.932 45.100 -0.120 0.000 0.775 89 G HN 0.130 nan 8.290 nan 0.000 0.543 90 V N 0.852 120.707 119.914 -0.097 0.000 2.255 90 V HA -0.211 3.909 4.120 -0.000 0.000 0.247 90 V C 3.166 179.391 176.094 0.218 0.000 1.051 90 V CA 2.443 64.767 62.300 0.040 0.000 1.018 90 V CB -0.977 30.875 31.823 0.048 0.000 0.641 90 V HN 0.390 nan 8.190 nan 0.000 0.445 91 T N -0.677 113.978 114.554 0.169 0.000 2.665 91 T HA -0.307 4.043 4.350 -0.000 0.000 0.268 91 T C 1.980 176.802 174.700 0.204 0.000 1.035 91 T CA 2.180 64.399 62.100 0.199 0.000 1.151 91 T CB -0.243 68.697 68.868 0.120 0.000 0.862 91 T HN 0.449 nan 8.240 nan 0.000 0.438 92 K N 0.393 120.861 120.400 0.113 0.000 2.097 92 K HA 0.046 4.366 4.320 -0.000 0.000 0.205 92 K C 2.163 178.817 176.600 0.090 0.000 1.050 92 K CA 0.941 57.284 56.287 0.093 0.000 0.938 92 K CB -0.197 32.326 32.500 0.039 0.000 0.718 92 K HN 0.298 nan 8.250 nan 0.000 0.442 93 L N -0.252 120.989 121.223 0.031 0.000 2.156 93 L HA -0.102 4.238 4.340 -0.000 0.000 0.208 93 L C 2.047 178.860 176.870 -0.095 0.000 1.095 93 L CA 0.855 55.658 54.840 -0.062 0.000 0.770 93 L CB -0.327 41.630 42.059 -0.170 0.000 0.914 93 L HN 0.159 nan 8.230 nan 0.000 0.439 94 F N 0.535 120.442 119.950 -0.072 0.000 2.146 94 F HA -0.178 4.349 4.527 -0.000 0.000 0.298 94 F C 2.699 178.448 175.800 -0.086 0.000 1.096 94 F CA 1.169 59.084 58.000 -0.142 0.000 1.275 94 F CB -0.036 38.927 39.000 -0.061 0.000 1.008 94 F HN 0.039 nan 8.300 nan 0.000 0.480 95 E N 0.018 120.362 120.200 0.240 0.000 2.077 95 E HA -0.230 4.120 4.350 -0.000 0.000 0.193 95 E C 2.204 178.922 176.600 0.196 0.000 0.989 95 E CA 0.931 57.473 56.400 0.237 0.000 0.800 95 E CB -0.528 29.296 29.700 0.207 0.000 0.746 95 E HN 0.374 nan 8.360 nan 0.000 0.452 96 R N 0.730 121.318 120.500 0.146 0.000 2.091 96 R HA -0.095 4.245 4.340 -0.000 0.000 0.238 96 R C 2.449 178.917 176.300 0.280 0.000 1.136 96 R CA 1.157 57.352 56.100 0.158 0.000 0.959 96 R CB -0.234 30.101 30.300 0.059 0.000 0.856 96 R HN 0.113 nan 8.270 nan 0.000 0.437 97 I N -0.590 120.092 120.570 0.187 0.000 2.163 97 I HA -0.271 3.899 4.170 -0.000 0.000 0.240 97 I C 2.003 178.174 176.117 0.090 0.000 1.081 97 I CA 1.117 62.519 61.300 0.170 0.000 1.353 97 I CB -0.397 37.518 38.000 -0.141 0.000 1.054 97 I HN 0.221 nan 8.210 nan 0.000 0.407 98 Y N 1.797 122.032 120.300 -0.109 0.000 2.384 98 Y HA -0.268 4.282 4.550 -0.000 0.000 0.289 98 Y C 2.774 178.667 175.900 -0.012 0.000 1.152 98 Y CA 1.341 59.365 58.100 -0.126 0.000 1.258 98 Y CB -0.298 38.067 38.460 -0.158 0.000 0.979 98 Y HN 0.263 nan 8.280 nan 0.000 0.549 99 S N -1.471 114.272 115.700 0.072 0.000 2.522 99 S HA -0.019 4.451 4.470 -0.000 0.000 0.227 99 S C 0.997 175.591 174.600 -0.011 0.000 0.986 99 S CA 0.294 58.513 58.200 0.031 0.000 0.929 99 S CB -1.149 62.121 63.200 0.118 0.000 0.769 99 S HN 0.434 nan 8.310 nan 0.000 0.529 100 T N -0.979 113.554 114.554 -0.035 0.000 2.934 100 T HA 0.413 4.763 4.350 -0.000 0.000 0.283 100 T C 0.490 175.067 174.700 -0.206 0.000 1.005 100 T CA -0.242 61.817 62.100 -0.068 0.000 1.041 100 T CB 1.472 70.230 68.868 -0.182 0.000 1.042 100 T HN 0.050 nan 8.240 nan 0.000 0.505 101 D N 0.167 120.485 120.400 -0.137 0.000 2.144 101 D HA -0.111 4.529 4.640 -0.000 0.000 0.199 101 D C 1.723 177.786 176.300 -0.395 0.000 0.984 101 D CA 0.824 54.719 54.000 -0.175 0.000 0.834 101 D CB -0.210 40.618 40.800 0.047 0.000 0.955 101 D HN 0.422 nan 8.370 nan 0.000 0.465 102 L N 0.031 120.723 121.223 -0.884 0.000 2.027 102 L HA 0.127 4.467 4.340 -0.000 0.000 0.206 102 L C 2.322 178.854 176.870 -0.563 0.000 1.074 102 L CA 2.212 56.468 54.840 -0.974 0.000 0.745 102 L CB -1.051 39.859 42.059 -1.915 0.000 0.898 102 L HN 0.168 nan 8.230 nan 0.000 0.433 103 G N -1.123 107.445 108.800 -0.387 0.000 2.422 103 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.218 103 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.218 103 G C 1.818 176.616 174.900 -0.169 0.000 1.146 103 G CA 0.705 45.760 45.100 -0.075 0.000 0.769 103 G HN 0.361 nan 8.290 nan 0.000 0.547 104 R N -0.411 119.929 120.500 -0.267 0.000 2.081 104 R HA 0.036 4.376 4.340 -0.000 0.000 0.235 104 R C 2.604 178.834 176.300 -0.117 0.000 1.131 104 R CA 1.258 57.169 56.100 -0.315 0.000 0.960 104 R CB -0.253 29.747 30.300 -0.501 0.000 0.856 104 R HN 0.375 nan 8.270 nan 0.000 0.436 105 M N 0.214 119.727 119.600 -0.145 0.000 2.067 105 M HA -0.186 4.294 4.480 -0.000 0.000 0.260 105 M C 2.288 178.510 176.300 -0.130 0.000 1.069 105 M CA 1.235 56.505 55.300 -0.049 0.000 1.117 105 M CB -0.409 32.218 32.600 0.045 0.000 1.334 105 M HN 0.186 nan 8.290 nan 0.000 0.407 106 L N 0.996 121.921 121.223 -0.498 0.000 1.989 106 L HA -0.187 4.153 4.340 -0.000 0.000 0.211 106 L C 2.111 178.808 176.870 -0.289 0.000 1.071 106 L CA 1.928 56.274 54.840 -0.824 0.000 0.749 106 L CB -0.751 40.808 42.059 -0.833 0.000 0.890 106 L HN 0.257 nan 8.230 nan 0.000 0.431 107 L N -1.202 119.923 121.223 -0.163 0.000 2.131 107 L HA -0.201 4.139 4.340 -0.000 0.000 0.210 107 L C 2.327 179.250 176.870 0.088 0.000 1.092 107 L CA 1.578 56.389 54.840 -0.049 0.000 0.759 107 L CB -0.943 41.019 42.059 -0.162 0.000 0.903 107 L HN 0.326 nan 8.230 nan 0.000 0.435 108 T N -1.076 113.547 114.554 0.114 0.000 2.737 108 T HA -0.152 4.198 4.350 -0.000 0.000 0.265 108 T C 2.153 176.945 174.700 0.152 0.000 1.038 108 T CA 1.651 63.847 62.100 0.161 0.000 1.144 108 T CB -0.073 68.882 68.868 0.145 0.000 0.866 108 T HN 0.280 nan 8.240 nan 0.000 0.434 109 S N 1.157 116.939 115.700 0.138 0.000 2.370 109 S HA -0.020 4.450 4.470 -0.000 0.000 0.226 109 S C 2.045 176.826 174.600 0.301 0.000 1.033 109 S CA 0.930 59.260 58.200 0.217 0.000 1.011 109 S CB -0.445 62.873 63.200 0.197 0.000 0.852 109 S HN 0.399 nan 8.310 nan 0.000 0.457 110 I N 1.101 121.789 120.570 0.196 0.000 2.226 110 I HA -0.150 4.020 4.170 -0.000 0.000 0.245 110 I C 2.106 178.325 176.117 0.170 0.000 1.100 110 I CA 0.990 62.406 61.300 0.193 0.000 1.374 110 I CB -0.365 37.706 38.000 0.118 0.000 1.057 110 I HN 0.158 nan 8.210 nan 0.000 0.413 111 V N 0.583 120.597 119.914 0.167 0.000 2.515 111 V HA -0.219 3.901 4.120 -0.000 0.000 0.250 111 V C 2.309 178.470 176.094 0.111 0.000 1.058 111 V CA 1.663 64.057 62.300 0.156 0.000 1.064 111 V CB -0.715 31.227 31.823 0.199 0.000 0.675 111 V HN 0.372 nan 8.190 nan 0.000 0.461 112 R N 0.265 120.837 120.500 0.120 0.000 2.275 112 R HA 0.084 4.424 4.340 -0.000 0.000 0.199 112 R C 1.743 178.033 176.300 -0.017 0.000 0.989 112 R CA 0.617 56.756 56.100 0.065 0.000 1.016 112 R CB -0.200 30.168 30.300 0.114 0.000 0.918 112 R HN 0.508 nan 8.270 nan 0.000 0.473 113 G N 1.315 110.103 108.800 -0.020 0.000 3.471 113 G HA2 0.115 4.075 3.960 -0.000 0.000 0.254 113 G HA3 0.115 4.075 3.960 -0.000 0.000 0.254 113 G C -0.104 174.702 174.900 -0.157 0.000 1.199 113 G CA -0.399 44.504 45.100 -0.328 0.000 1.683 113 G HN 0.036 nan 8.290 nan 0.000 0.625 114 I N 1.323 121.865 120.570 -0.046 0.000 2.741 114 I HA 0.077 4.247 4.170 -0.000 0.000 0.288 114 I C -1.786 174.501 176.117 0.282 0.000 1.192 114 I CA -1.471 59.899 61.300 0.116 0.000 1.426 114 I CB 0.623 38.665 38.000 0.070 0.000 1.367 114 I HN 0.062 nan 8.210 nan 0.000 0.563 115 P HA -0.064 nan 4.420 nan 0.000 0.266 115 P C -0.356 177.203 177.300 0.432 0.000 1.195 115 P CA -0.073 63.206 63.100 0.298 0.000 0.768 115 P CB 0.288 32.133 31.700 0.242 0.000 0.838 116 F N 3.081 123.069 119.950 0.062 0.000 2.553 116 F HA 0.139 4.666 4.527 -0.000 0.000 0.356 116 F C -0.025 175.675 175.800 -0.165 0.000 1.142 116 F CA -0.153 57.601 58.000 -0.411 0.000 1.322 116 F CB 0.247 38.807 39.000 -0.733 0.000 1.126 116 F HN 0.338 nan 8.300 nan 0.000 0.599 117 W N 5.233 125.710 121.300 -1.373 0.000 1.664 117 W HA 0.392 5.052 4.660 -0.000 0.000 0.428 117 W C 0.704 176.591 176.519 -1.054 0.000 0.726 117 W CA -0.771 56.078 57.345 -0.825 0.000 1.774 117 W CB 0.540 29.712 29.460 -0.480 0.000 1.801 117 W HN 0.646 nan 8.180 nan 0.000 0.243 118 G N 0.172 108.641 108.800 -0.550 0.000 4.222 118 G HA2 0.286 4.246 3.960 -0.000 0.000 0.301 118 G HA3 0.286 4.246 3.960 -0.000 0.000 0.301 118 G C 0.994 175.884 174.900 -0.016 0.000 1.171 118 G CA -0.152 44.793 45.100 -0.258 0.000 0.937 118 G HN 0.452 nan 8.290 nan 0.000 0.557 119 G N -0.057 108.693 108.800 -0.084 0.000 3.141 119 G HA2 0.286 4.246 3.960 -0.000 0.000 0.218 119 G HA3 0.286 4.246 3.960 -0.000 0.000 0.218 119 G C 0.600 175.510 174.900 0.018 0.000 1.170 119 G CA 0.276 45.372 45.100 -0.008 0.000 0.769 119 G HN 0.482 nan 8.290 nan 0.000 0.546 120 S N -0.332 115.375 115.700 0.013 0.000 2.578 120 S HA 0.415 4.885 4.470 -0.000 0.000 0.283 120 S C 1.577 176.208 174.600 0.053 0.000 1.195 120 S CA 0.197 58.415 58.200 0.030 0.000 1.050 120 S CB 1.338 64.555 63.200 0.028 0.000 1.012 120 S HN 0.218 nan 8.310 nan 0.000 0.511 121 T N 1.841 116.425 114.554 0.050 0.000 3.081 121 T HA 0.343 4.693 4.350 -0.000 0.000 0.250 121 T C 0.488 175.215 174.700 0.045 0.000 1.100 121 T CA 0.119 62.251 62.100 0.053 0.000 1.038 121 T CB -0.467 68.431 68.868 0.049 0.000 0.962 121 T HN 0.538 nan 8.240 nan 0.000 0.516 122 I N 4.070 124.665 120.570 0.042 0.000 2.307 122 I HA 0.198 4.368 4.170 -0.000 0.000 0.289 122 I C 1.036 177.180 176.117 0.045 0.000 1.021 122 I CA -0.761 60.562 61.300 0.039 0.000 1.224 122 I CB 1.316 39.337 38.000 0.034 0.000 1.376 122 I HN 0.160 nan 8.210 nan 0.000 0.470 123 D N 2.777 123.204 120.400 0.046 0.000 2.351 123 D HA -0.186 4.454 4.640 -0.000 0.000 0.216 123 D C 1.299 177.629 176.300 0.051 0.000 0.968 123 D CA 0.916 54.947 54.000 0.052 0.000 0.899 123 D CB 0.077 40.905 40.800 0.046 0.000 0.907 123 D HN 0.465 nan 8.370 nan 0.000 0.514 124 T N -0.665 113.915 114.554 0.043 0.000 3.186 124 T HA 0.068 4.418 4.350 -0.000 0.000 0.257 124 T C -0.187 174.541 174.700 0.046 0.000 1.029 124 T CA -0.417 61.708 62.100 0.041 0.000 0.916 124 T CB -0.147 68.740 68.868 0.032 0.000 1.041 124 T HN 0.174 nan 8.240 nan 0.000 0.562 125 E N 1.048 121.280 120.200 0.052 0.000 2.246 125 E HA 0.415 4.764 4.350 -0.000 0.000 0.266 125 E C -1.607 175.034 176.600 0.069 0.000 0.880 125 E CA -0.806 55.630 56.400 0.059 0.000 0.762 125 E CB 1.142 30.873 29.700 0.052 0.000 1.180 125 E HN 0.099 nan 8.360 nan 0.000 0.416 126 L N 4.332 125.613 121.223 0.096 0.000 2.292 126 L HA 0.463 4.803 4.340 -0.000 0.000 0.284 126 L C -0.542 176.479 176.870 0.253 0.000 1.065 126 L CA 0.207 55.124 54.840 0.129 0.000 0.806 126 L CB 0.979 43.114 42.059 0.125 0.000 1.175 126 L HN 0.502 nan 8.230 nan 0.000 0.431 127 K N 2.879 123.382 120.400 0.171 0.000 2.523 127 K HA 0.467 4.787 4.320 -0.000 0.000 0.257 127 K C -1.478 174.845 176.600 -0.462 0.000 0.932 127 K CA -0.688 55.586 56.287 -0.021 0.000 0.812 127 K CB 2.349 34.813 32.500 -0.060 0.000 1.326 127 K HN 0.344 nan 8.250 nan 0.000 0.433 128 V N 4.619 123.822 119.914 -1.185 0.000 3.185 128 V HA 0.303 4.423 4.120 -0.000 0.000 0.305 128 V C -0.170 175.572 176.094 -0.586 0.000 1.090 128 V CA -0.126 61.327 62.300 -1.413 0.000 1.107 128 V CB 0.773 31.656 31.823 -1.568 0.000 1.061 128 V HN 0.654 nan 8.190 nan 0.000 0.480 129 I N 4.261 124.594 120.570 -0.395 0.000 2.359 129 I HA 0.271 4.441 4.170 -0.000 0.000 0.284 129 I C 0.691 176.735 176.117 -0.122 0.000 1.018 129 I CA -0.443 60.773 61.300 -0.141 0.000 1.173 129 I CB 1.229 39.238 38.000 0.015 0.000 1.326 129 I HN 0.673 nan 8.210 nan 0.000 0.462 130 D N 2.252 122.573 120.400 -0.131 0.000 2.218 130 D HA -0.241 4.399 4.640 -0.000 0.000 0.194 130 D C 2.047 178.290 176.300 -0.095 0.000 1.007 130 D CA 2.159 56.083 54.000 -0.128 0.000 0.879 130 D CB 0.003 40.721 40.800 -0.137 0.000 0.918 130 D HN 0.631 nan 8.370 nan 0.000 0.449 131 T N -2.407 112.113 114.554 -0.057 0.000 3.163 131 T HA -0.033 4.317 4.350 -0.000 0.000 0.260 131 T C 0.979 175.749 174.700 0.117 0.000 1.156 131 T CA 0.285 62.364 62.100 -0.035 0.000 1.072 131 T CB -0.071 68.800 68.868 0.004 0.000 0.937 131 T HN -0.010 nan 8.240 nan 0.000 0.528 132 N N 0.573 119.322 118.700 0.082 0.000 2.279 132 N HA 0.265 5.005 4.740 -0.000 0.000 0.226 132 N C -0.521 175.041 175.510 0.086 0.000 1.126 132 N CA -0.174 52.954 53.050 0.130 0.000 0.846 132 N CB 0.061 38.618 38.487 0.116 0.000 1.050 132 N HN 0.464 nan 8.380 nan 0.000 0.502 133 C N 0.166 119.489 119.300 0.039 0.000 3.213 133 C HA 0.721 5.181 4.460 -0.000 0.000 0.319 133 C C 0.035 174.999 174.990 -0.044 0.000 1.386 133 C CA -1.157 57.857 59.018 -0.007 0.000 1.494 133 C CB 1.503 29.215 27.740 -0.046 0.000 1.905 133 C HN 0.296 nan 8.230 nan 0.000 0.456 134 I N -0.841 119.661 120.570 -0.113 0.000 2.934 134 I HA 0.579 4.749 4.170 -0.000 0.000 0.306 134 I C -1.145 174.864 176.117 -0.181 0.000 1.110 134 I CA -0.594 60.598 61.300 -0.179 0.000 1.019 134 I CB 1.828 39.620 38.000 -0.347 0.000 1.227 134 I HN 0.632 nan 8.210 nan 0.000 0.434 135 N N 2.354 120.952 118.700 -0.170 0.000 2.425 135 N HA 0.483 5.223 4.740 -0.000 0.000 0.268 135 N C -1.144 174.304 175.510 -0.104 0.000 0.991 135 N CA -0.646 52.335 53.050 -0.115 0.000 0.931 135 N CB 2.188 40.611 38.487 -0.106 0.000 1.130 135 N HN 0.353 nan 8.380 nan 0.000 0.493 136 V N 4.496 124.372 119.914 -0.062 0.000 2.348 136 V HA 0.267 4.387 4.120 -0.000 0.000 0.270 136 V C 0.419 176.539 176.094 0.043 0.000 1.037 136 V CA -0.613 61.659 62.300 -0.047 0.000 0.872 136 V CB 0.348 32.174 31.823 0.005 0.000 1.002 136 V HN 0.589 nan 8.190 nan 0.000 0.464 137 I N 5.177 125.773 120.570 0.045 0.000 2.556 137 I HA 0.155 4.325 4.170 -0.000 0.000 0.284 137 I C 0.595 176.738 176.117 0.043 0.000 1.114 137 I CA -0.045 61.288 61.300 0.054 0.000 1.418 137 I CB 0.541 38.575 38.000 0.056 0.000 1.394 137 I HN 0.556 nan 8.210 nan 0.000 0.552 138 Q N 7.328 127.137 119.800 0.016 0.000 2.185 138 Q HA 0.289 4.629 4.340 -0.000 0.000 0.225 138 Q C -1.633 174.367 176.000 0.000 0.000 0.983 138 Q CA -1.852 53.958 55.803 0.012 0.000 0.950 138 Q CB 0.178 28.917 28.738 0.002 0.000 1.176 138 Q HN 0.318 nan 8.270 nan 0.000 0.510 139 P HA -0.119 nan 4.420 nan 0.000 0.223 139 P C 0.489 177.777 177.300 -0.020 0.000 1.151 139 P CA 1.209 64.308 63.100 -0.002 0.000 0.787 139 P CB 0.247 31.948 31.700 0.001 0.000 0.788 140 D N -1.981 118.400 120.400 -0.031 0.000 2.349 140 D HA 0.043 4.683 4.640 -0.000 0.000 0.215 140 D C 1.406 177.662 176.300 -0.074 0.000 1.016 140 D CA 0.881 54.853 54.000 -0.046 0.000 0.870 140 D CB -0.320 40.455 40.800 -0.042 0.000 0.917 140 D HN 0.218 nan 8.370 nan 0.000 0.524 141 G N 0.690 109.439 108.800 -0.086 0.000 2.213 141 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.226 141 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.226 141 G C 0.453 175.214 174.900 -0.232 0.000 0.992 141 G CA 0.334 45.353 45.100 -0.135 0.000 0.632 141 G HN 0.722 nan 8.290 nan 0.000 0.511 142 S N 0.371 115.944 115.700 -0.212 0.000 2.614 142 S HA 0.708 5.178 4.470 -0.000 0.000 0.265 142 S C -0.064 174.403 174.600 -0.221 0.000 1.303 142 S CA 0.033 58.039 58.200 -0.324 0.000 1.000 142 S CB 0.902 64.012 63.200 -0.151 0.000 0.935 142 S HN 1.252 nan 8.310 nan 0.000 0.551 143 Y N -1.217 119.070 120.300 -0.020 0.000 2.429 143 Y HA 0.711 5.261 4.550 -0.000 0.000 0.342 143 Y C 0.032 175.920 175.900 -0.020 0.000 1.004 143 Y CA -1.914 56.171 58.100 -0.025 0.000 1.075 143 Y CB 0.767 39.204 38.460 -0.038 0.000 1.214 143 Y HN 0.836 nan 8.280 nan 0.000 0.455 144 R N 1.487 122.093 120.500 0.177 0.000 2.387 144 R HA 0.538 4.878 4.340 -0.000 0.000 0.314 144 R C -0.687 175.639 176.300 0.042 0.000 0.958 144 R CA -0.537 55.622 56.100 0.099 0.000 0.846 144 R CB 1.342 31.689 30.300 0.079 0.000 1.147 144 R HN 0.867 nan 8.270 nan 0.000 0.447 145 S N 2.670 118.376 115.700 0.011 0.000 2.505 145 S HA 0.078 4.548 4.470 -0.000 0.000 0.276 145 S C -0.598 174.009 174.600 0.011 0.000 1.274 145 S CA -0.274 57.909 58.200 -0.028 0.000 1.053 145 S CB 0.580 63.749 63.200 -0.051 0.000 0.919 145 S HN 0.658 nan 8.310 nan 0.000 0.490 146 E N 3.640 123.839 120.200 -0.001 0.000 2.234 146 E HA 0.269 4.619 4.350 -0.000 0.000 0.266 146 E C -0.983 175.649 176.600 0.055 0.000 0.877 146 E CA -0.606 55.827 56.400 0.054 0.000 0.758 146 E CB 1.135 30.893 29.700 0.097 0.000 1.170 146 E HN 0.663 nan 8.360 nan 0.000 0.415 147 E N 3.747 124.015 120.200 0.114 0.000 2.331 147 E HA 0.377 4.727 4.350 -0.000 0.000 0.272 147 E C -0.385 176.310 176.600 0.157 0.000 1.036 147 E CA -0.292 56.188 56.400 0.133 0.000 0.864 147 E CB 1.073 30.894 29.700 0.201 0.000 1.035 147 E HN 0.370 nan 8.360 nan 0.000 0.408 148 L N -0.061 121.246 121.223 0.141 0.000 2.469 148 L HA 0.549 4.889 4.340 -0.000 0.000 0.256 148 L C -0.401 176.553 176.870 0.140 0.000 1.006 148 L CA -1.034 53.908 54.840 0.170 0.000 0.832 148 L CB 1.730 43.894 42.059 0.175 0.000 1.421 148 L HN 0.200 nan 8.230 nan 0.000 0.410 149 N N 0.563 119.348 118.700 0.141 0.000 2.482 149 N HA 0.323 5.063 4.740 -0.000 0.000 0.179 149 N C -0.499 175.068 175.510 0.096 0.000 1.039 149 N CA 0.515 53.639 53.050 0.122 0.000 0.884 149 N CB 0.564 39.124 38.487 0.121 0.000 1.113 149 N HN 0.547 nan 8.380 nan 0.000 0.440 150 L N 0.446 121.724 121.223 0.092 0.000 2.431 150 L HA 0.595 4.935 4.340 -0.000 0.000 0.266 150 L C -1.594 175.290 176.870 0.023 0.000 0.978 150 L CA -0.760 54.116 54.840 0.059 0.000 0.822 150 L CB 2.273 44.408 42.059 0.126 0.000 1.310 150 L HN -0.275 nan 8.230 nan 0.000 0.409 151 V N 5.681 125.534 119.914 -0.101 0.000 2.577 151 V HA 0.532 4.652 4.120 -0.000 0.000 0.303 151 V C -0.599 175.529 176.094 0.058 0.000 1.042 151 V CA -0.557 61.681 62.300 -0.104 0.000 0.872 151 V CB 1.886 33.386 31.823 -0.537 0.000 0.998 151 V HN 0.489 nan 8.190 nan 0.000 0.423 152 I N 5.963 126.648 120.570 0.191 0.000 2.321 152 I HA 0.544 4.714 4.170 -0.000 0.000 0.291 152 I C -0.139 176.183 176.117 0.342 0.000 0.998 152 I CA -0.142 61.327 61.300 0.281 0.000 1.227 152 I CB 1.387 39.596 38.000 0.349 0.000 1.368 152 I HN 0.548 nan 8.210 nan 0.000 0.466 153 I N 3.329 124.113 120.570 0.357 0.000 3.042 153 I HA 0.681 4.851 4.170 -0.000 0.000 0.310 153 I C 0.497 176.812 176.117 0.330 0.000 1.117 153 I CA -0.619 60.877 61.300 0.327 0.000 1.003 153 I CB 2.423 40.621 38.000 0.331 0.000 1.228 153 I HN 0.613 nan 8.210 nan 0.000 0.443 154 G N 3.610 112.501 108.800 0.152 0.000 2.606 154 G HA2 0.373 4.333 3.960 -0.000 0.000 0.252 154 G HA3 0.373 4.333 3.960 -0.000 0.000 0.252 154 G C -2.655 172.379 174.900 0.223 0.000 1.206 154 G CA -0.838 44.354 45.100 0.153 0.000 0.861 154 G HN 0.427 nan 8.290 nan 0.000 0.561 155 P HA 0.105 nan 4.420 nan 0.000 0.272 155 P C 0.355 177.758 177.300 0.171 0.000 1.240 155 P CA -0.222 63.039 63.100 0.268 0.000 0.791 155 P CB 1.500 33.407 31.700 0.345 0.000 0.978 156 S N 0.088 115.865 115.700 0.128 0.000 2.232 156 S HA 0.360 4.830 4.470 -0.000 0.000 0.240 156 S C 1.866 176.505 174.600 0.064 0.000 1.224 156 S CA 0.361 58.601 58.200 0.068 0.000 1.019 156 S CB -0.614 62.618 63.200 0.053 0.000 1.039 156 S HN 0.464 nan 8.310 nan 0.000 0.439 157 A N 0.889 123.749 122.820 0.066 0.000 1.859 157 A HA -0.087 4.233 4.320 -0.000 0.000 0.217 157 A C 1.016 178.591 177.584 -0.014 0.000 1.198 157 A CA 2.069 54.176 52.037 0.117 0.000 0.629 157 A CB -1.165 17.962 19.000 0.212 0.000 0.830 157 A HN 0.757 nan 8.150 nan 0.000 0.446 158 D N -0.225 120.096 120.400 -0.132 0.000 2.383 158 D HA 0.273 4.913 4.640 -0.000 0.000 0.245 158 D C 0.978 177.134 176.300 -0.240 0.000 1.263 158 D CA -0.133 53.577 54.000 -0.483 0.000 0.936 158 D CB -0.201 40.394 40.800 -0.342 0.000 1.053 158 D HN 0.362 nan 8.370 nan 0.000 0.507 159 I N 3.467 123.868 120.570 -0.281 0.000 2.248 159 I HA -0.275 3.895 4.170 -0.000 0.000 0.248 159 I C 1.905 177.972 176.117 -0.083 0.000 1.107 159 I CA 1.027 62.244 61.300 -0.139 0.000 1.373 159 I CB -0.238 37.566 38.000 -0.327 0.000 1.055 159 I HN 0.598 nan 8.210 nan 0.000 0.418 160 I N -1.679 118.752 120.570 -0.232 0.000 3.891 160 I HA 0.134 4.304 4.170 -0.000 0.000 0.331 160 I C 0.844 176.711 176.117 -0.417 0.000 1.406 160 I CA -0.220 60.842 61.300 -0.396 0.000 1.139 160 I CB -0.102 37.746 38.000 -0.254 0.000 1.056 160 I HN 0.019 nan 8.210 nan 0.000 0.399 161 Q N 2.293 122.020 119.800 -0.122 0.000 2.681 161 Q HA 0.305 4.645 4.340 -0.000 0.000 0.222 161 Q C -1.088 175.064 176.000 0.255 0.000 1.258 161 Q CA -0.346 55.452 55.803 -0.007 0.000 1.014 161 Q CB -0.113 28.631 28.738 0.010 0.000 1.384 161 Q HN 0.269 nan 8.270 nan 0.000 0.570 162 F N 1.957 122.014 119.950 0.177 0.000 2.389 162 F HA 0.515 5.042 4.527 -0.000 0.000 0.337 162 F C 0.666 176.587 175.800 0.202 0.000 1.112 162 F CA -0.859 57.283 58.000 0.237 0.000 1.192 162 F CB 0.673 39.883 39.000 0.349 0.000 1.185 162 F HN 0.575 nan 8.300 nan 0.000 0.552 163 E N -0.419 120.026 120.200 0.409 0.000 2.403 163 E HA 0.360 4.710 4.350 -0.000 0.000 0.280 163 E C -2.197 174.530 176.600 0.211 0.000 1.101 163 E CA -1.046 55.511 56.400 0.261 0.000 0.856 163 E CB 1.185 30.985 29.700 0.168 0.000 1.303 163 E HN 0.521 nan 8.360 nan 0.000 0.441 164 C N 2.240 121.624 119.300 0.140 0.000 2.271 164 C HA 0.625 5.085 4.460 -0.000 0.000 0.323 164 C C -0.771 174.268 174.990 0.082 0.000 1.245 164 C CA -0.165 58.927 59.018 0.123 0.000 1.548 164 C CB -0.899 26.911 27.740 0.117 0.000 2.214 164 C HN 0.625 nan 8.230 nan 0.000 0.477 165 K N 3.817 124.277 120.400 0.100 0.000 2.400 165 K HA 0.907 5.227 4.320 -0.000 0.000 0.246 165 K C -0.950 175.670 176.600 0.032 0.000 0.995 165 K CA -0.317 55.989 56.287 0.033 0.000 0.840 165 K CB 1.892 34.374 32.500 -0.029 0.000 1.293 165 K HN 0.611 nan 8.250 nan 0.000 0.445 166 S N -0.305 115.358 115.700 -0.062 0.000 2.596 166 S HA 0.409 4.879 4.470 -0.000 0.000 0.270 166 S C 0.066 174.542 174.600 -0.208 0.000 1.155 166 S CA -0.881 57.279 58.200 -0.067 0.000 0.827 166 S CB 0.421 63.698 63.200 0.128 0.000 1.130 166 S HN 0.499 nan 8.310 nan 0.000 0.467 167 F N 1.926 121.912 119.950 0.061 0.000 2.186 167 F HA 0.353 4.880 4.527 -0.000 0.000 0.299 167 F C 1.931 177.764 175.800 0.055 0.000 1.090 167 F CA 1.513 59.528 58.000 0.026 0.000 1.307 167 F CB -0.773 38.229 39.000 0.003 0.000 1.019 167 F HN 1.225 nan 8.300 nan 0.000 0.489 168 G N -0.268 108.682 108.800 0.248 0.000 2.757 168 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.686 168 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.686 168 G C -0.660 174.373 174.900 0.222 0.000 1.452 168 G CA -0.437 44.787 45.100 0.208 0.000 0.922 168 G HN 0.534 nan 8.290 nan 0.000 0.588 169 H N 0.793 119.926 119.070 0.105 0.000 2.559 169 H HA 0.365 4.921 4.556 -0.000 0.000 0.343 169 H C 1.126 176.491 175.328 0.062 0.000 1.209 169 H CA -0.119 55.978 56.048 0.081 0.000 1.287 169 H CB 1.621 31.435 29.762 0.086 0.000 1.650 169 H HN 0.530 nan 8.280 nan 0.000 0.567 170 D N 1.376 121.640 120.400 -0.225 0.000 2.117 170 D HA -0.134 4.506 4.640 -0.000 0.000 0.197 170 D C 1.847 178.237 176.300 0.151 0.000 0.987 170 D CA 2.063 56.033 54.000 -0.050 0.000 0.829 170 D CB 0.416 41.121 40.800 -0.158 0.000 0.961 170 D HN 0.450 nan 8.370 nan 0.000 0.460 171 V N -2.297 117.865 119.914 0.413 0.000 3.090 171 V HA 0.178 4.298 4.120 -0.000 0.000 0.237 171 V C 0.760 176.951 176.094 0.162 0.000 1.209 171 V CA -0.272 62.174 62.300 0.243 0.000 1.209 171 V CB 0.081 32.021 31.823 0.196 0.000 0.971 171 V HN -0.167 nan 8.190 nan 0.000 0.477 172 L N 2.895 124.196 121.223 0.128 0.000 2.452 172 L HA 0.420 4.760 4.340 -0.000 0.000 0.267 172 L C 0.292 177.186 176.870 0.040 0.000 1.188 172 L CA 0.354 55.158 54.840 -0.059 0.000 0.821 172 L CB -0.132 41.744 42.059 -0.305 0.000 1.102 172 L HN 0.345 nan 8.230 nan 0.000 0.470 173 N N 3.632 122.334 118.700 0.004 0.000 3.091 173 N HA 0.192 4.932 4.740 -0.000 0.000 0.255 173 N C 1.179 176.725 175.510 0.060 0.000 1.204 173 N CA -0.151 52.937 53.050 0.063 0.000 0.990 173 N CB 0.870 39.405 38.487 0.080 0.000 1.260 173 N HN 0.550 nan 8.380 nan 0.000 0.502 174 L N 0.140 121.416 121.223 0.088 0.000 2.089 174 L HA -0.231 4.109 4.340 -0.000 0.000 0.213 174 L C 2.345 179.320 176.870 0.175 0.000 1.079 174 L CA 1.626 56.547 54.840 0.135 0.000 0.758 174 L CB -0.771 41.410 42.059 0.205 0.000 0.891 174 L HN 0.430 nan 8.230 nan 0.000 0.433 175 T N -3.650 111.004 114.554 0.166 0.000 3.148 175 T HA 0.021 4.371 4.350 -0.000 0.000 0.253 175 T C 1.467 176.284 174.700 0.194 0.000 1.134 175 T CA 0.175 62.381 62.100 0.177 0.000 1.051 175 T CB 0.024 68.982 68.868 0.150 0.000 0.959 175 T HN 0.360 nan 8.240 nan 0.000 0.525 176 R N 0.849 121.484 120.500 0.226 0.000 2.566 176 R HA 0.227 4.566 4.340 -0.000 0.000 0.388 176 R C 0.541 177.134 176.300 0.487 0.000 0.989 176 R CA 0.067 56.390 56.100 0.372 0.000 1.164 176 R CB 0.309 30.790 30.300 0.301 0.000 1.459 176 R HN 0.397 nan 8.270 nan 0.000 0.553 177 N N -0.433 118.432 118.700 0.276 0.000 2.238 177 N HA 0.070 4.810 4.740 -0.000 0.000 0.235 177 N C 0.916 176.511 175.510 0.143 0.000 1.209 177 N CA 0.523 53.646 53.050 0.122 0.000 0.879 177 N CB 1.136 39.498 38.487 -0.208 0.000 1.136 177 N HN 0.183 nan 8.380 nan 0.000 0.517 178 G N 0.269 109.288 108.800 0.365 0.000 2.234 178 G HA2 -0.392 3.568 3.960 -0.000 0.000 0.260 178 G HA3 -0.392 3.568 3.960 -0.000 0.000 0.260 178 G C 0.521 175.641 174.900 0.367 0.000 0.987 178 G CA 0.605 45.958 45.100 0.422 0.000 0.625 178 G HN 0.301 nan 8.290 nan 0.000 0.532 179 Y N 0.872 121.235 120.300 0.105 0.000 2.153 179 Y HA 0.361 4.911 4.550 -0.000 0.000 0.289 179 Y C 2.250 178.264 175.900 0.190 0.000 1.127 179 Y CA 1.541 59.719 58.100 0.130 0.000 1.131 179 Y CB -0.831 37.724 38.460 0.159 0.000 0.995 179 Y HN 1.456 nan 8.280 nan 0.000 0.505 180 G N -0.403 108.610 108.800 0.356 0.000 2.746 180 G HA2 0.144 4.104 3.960 -0.000 0.000 0.685 180 G HA3 0.144 4.104 3.960 -0.000 0.000 0.685 180 G C -0.544 174.510 174.900 0.256 0.000 1.350 180 G CA -0.343 44.910 45.100 0.255 0.000 0.837 180 G HN 0.828 nan 8.290 nan 0.000 0.564 181 S N -1.535 114.297 115.700 0.219 0.000 2.588 181 S HA 0.778 5.248 4.470 -0.000 0.000 0.269 181 S C -0.251 174.479 174.600 0.216 0.000 1.157 181 S CA 0.100 58.436 58.200 0.226 0.000 0.824 181 S CB 1.598 64.940 63.200 0.236 0.000 1.126 181 S HN 1.663 nan 8.310 nan 0.000 0.464 182 T N 3.206 117.903 114.554 0.239 0.000 2.871 182 T HA 0.178 4.528 4.350 -0.000 0.000 0.296 182 T C -0.385 174.469 174.700 0.258 0.000 0.998 182 T CA 0.200 62.435 62.100 0.225 0.000 1.162 182 T CB -0.045 68.980 68.868 0.262 0.000 0.947 182 T HN 0.464 nan 8.240 nan 0.000 0.536 183 Q N 2.402 122.299 119.800 0.161 0.000 2.271 183 Q HA 0.320 4.660 4.340 -0.000 0.000 0.258 183 Q C -1.065 174.991 176.000 0.093 0.000 0.936 183 Q CA -0.341 55.567 55.803 0.175 0.000 0.909 183 Q CB 1.295 30.116 28.738 0.139 0.000 1.253 183 Q HN 0.633 nan 8.270 nan 0.000 0.440 184 Y N 2.027 122.375 120.300 0.081 0.000 2.356 184 Y HA 0.412 4.962 4.550 -0.000 0.000 0.334 184 Y C 0.214 176.179 175.900 0.109 0.000 0.958 184 Y CA -0.466 57.692 58.100 0.096 0.000 1.196 184 Y CB 0.993 39.480 38.460 0.044 0.000 1.137 184 Y HN 0.432 nan 8.280 nan 0.000 0.485 185 I N 4.986 125.691 120.570 0.224 0.000 2.312 185 I HA 0.359 4.529 4.170 -0.000 0.000 0.290 185 I C -0.020 176.258 176.117 0.268 0.000 1.008 185 I CA -0.678 60.751 61.300 0.215 0.000 1.226 185 I CB 0.829 38.913 38.000 0.140 0.000 1.371 185 I HN 0.435 nan 8.210 nan 0.000 0.468 186 R N 6.093 126.761 120.500 0.279 0.000 2.267 186 R HA 0.510 4.850 4.340 -0.000 0.000 0.319 186 R C -1.041 175.429 176.300 0.284 0.000 1.067 186 R CA -0.034 56.244 56.100 0.297 0.000 0.936 186 R CB 0.757 31.230 30.300 0.288 0.000 1.006 186 R HN 0.455 nan 8.270 nan 0.000 0.452 187 F N 0.613 120.551 119.950 -0.021 0.000 2.719 187 F HA 0.362 4.889 4.527 -0.000 0.000 0.309 187 F C -1.461 174.181 175.800 -0.264 0.000 1.138 187 F CA -0.579 57.101 58.000 -0.533 0.000 0.943 187 F CB 2.110 40.894 39.000 -0.359 0.000 1.304 187 F HN 0.367 nan 8.300 nan 0.000 0.445 188 S N 4.356 119.021 115.700 -1.726 0.000 2.619 188 S HA 0.552 5.022 4.470 -0.000 0.000 0.280 188 S C -2.650 171.265 174.600 -1.142 0.000 1.150 188 S CA -1.260 56.501 58.200 -0.732 0.000 0.978 188 S CB 2.196 65.503 63.200 0.178 0.000 1.041 188 S HN 0.502 nan 8.310 nan 0.000 0.485 189 P HA 0.250 nan 4.420 nan 0.000 0.255 189 P C -0.081 177.054 177.300 -0.275 0.000 1.248 189 P CA 0.149 63.030 63.100 -0.365 0.000 0.807 189 P CB 0.210 31.783 31.700 -0.212 0.000 1.150 190 D N -0.533 119.697 120.400 -0.283 0.000 2.339 190 D HA 0.139 4.779 4.640 -0.000 0.000 0.217 190 D C 0.156 175.931 176.300 -0.874 0.000 1.050 190 D CA 0.641 54.337 54.000 -0.507 0.000 0.856 190 D CB 0.080 40.563 40.800 -0.529 0.000 0.922 190 D HN 0.221 nan 8.370 nan 0.000 0.518 191 F N -0.868 118.998 119.950 -0.140 0.000 2.626 191 F HA 0.443 4.970 4.527 -0.000 0.000 0.311 191 F C 0.310 176.001 175.800 -0.182 0.000 1.088 191 F CA -0.850 57.049 58.000 -0.167 0.000 0.949 191 F CB 2.354 41.203 39.000 -0.251 0.000 1.322 191 F HN -0.464 nan 8.300 nan 0.000 0.461 192 T N 0.702 115.233 114.554 -0.038 0.000 2.792 192 T HA 0.684 5.034 4.350 -0.000 0.000 0.303 192 T C -1.758 172.765 174.700 -0.295 0.000 1.310 192 T CA -0.618 61.388 62.100 -0.157 0.000 1.007 192 T CB 0.776 69.763 68.868 0.198 0.000 1.335 192 T HN 0.278 nan 8.240 nan 0.000 0.504 193 F N 0.670 120.788 119.950 0.280 0.000 2.432 193 F HA 0.694 5.221 4.527 -0.000 0.000 0.329 193 F C 1.161 177.161 175.800 0.333 0.000 1.076 193 F CA -0.714 57.450 58.000 0.273 0.000 1.018 193 F CB 1.327 40.434 39.000 0.177 0.000 1.201 193 F HN 0.651 nan 8.300 nan 0.000 0.489 194 G N 1.126 110.261 108.800 0.559 0.000 2.371 194 G HA2 0.609 4.569 3.960 -0.000 0.000 0.326 194 G HA3 0.609 4.569 3.960 -0.000 0.000 0.326 194 G C -1.665 173.455 174.900 0.367 0.000 1.127 194 G CA -0.501 44.834 45.100 0.391 0.000 0.885 194 G HN 0.570 nan 8.290 nan 0.000 0.477 195 F N -0.736 119.309 119.950 0.158 0.000 2.599 195 F HA 0.707 5.234 4.527 -0.000 0.000 0.311 195 F C -0.553 175.330 175.800 0.138 0.000 1.076 195 F CA -1.642 56.438 58.000 0.133 0.000 0.937 195 F CB 1.831 40.893 39.000 0.103 0.000 1.282 195 F HN 0.452 nan 8.300 nan 0.000 0.460 196 E N 1.526 121.843 120.200 0.196 0.000 2.227 196 E HA 0.122 4.472 4.350 -0.000 0.000 0.282 196 E C -0.672 176.058 176.600 0.218 0.000 1.015 196 E CA -0.669 55.804 56.400 0.123 0.000 0.823 196 E CB 0.884 30.648 29.700 0.107 0.000 1.081 196 E HN 0.533 nan 8.360 nan 0.000 0.396 197 E N 1.838 122.159 120.200 0.201 0.000 2.351 197 E HA 0.034 4.384 4.350 -0.000 0.000 0.266 197 E C -0.931 175.744 176.600 0.126 0.000 1.031 197 E CA 0.138 56.650 56.400 0.186 0.000 0.911 197 E CB 0.852 30.662 29.700 0.182 0.000 0.986 197 E HN 0.321 nan 8.360 nan 0.000 0.446 198 S N 4.688 120.448 115.700 0.100 0.000 2.423 198 S HA 0.097 4.567 4.470 -0.000 0.000 0.302 198 S C 0.501 175.125 174.600 0.040 0.000 1.143 198 S CA -0.492 57.742 58.200 0.058 0.000 1.080 198 S CB -0.534 62.683 63.200 0.029 0.000 1.081 198 S HN 0.344 nan 8.310 nan 0.000 0.522 199 L N 2.081 123.330 121.223 0.044 0.000 2.742 199 L HA 0.283 4.623 4.340 -0.000 0.000 0.275 199 L C 0.211 177.094 176.870 0.021 0.000 1.141 199 L CA 0.321 55.183 54.840 0.036 0.000 0.987 199 L CB -0.445 41.637 42.059 0.038 0.000 1.319 199 L HN 0.420 nan 8.230 nan 0.000 0.478 200 E N 2.566 122.774 120.200 0.014 0.000 2.281 200 E HA 0.485 4.835 4.350 -0.000 0.000 0.262 200 E C -0.789 175.814 176.600 0.006 0.000 0.933 200 E CA -1.236 55.166 56.400 0.004 0.000 0.809 200 E CB 2.803 32.498 29.700 -0.008 0.000 1.242 200 E HN 0.436 nan 8.360 nan 0.000 0.418 201 V N 3.422 123.337 119.914 0.002 0.000 2.446 201 V HA 0.018 4.138 4.120 -0.000 0.000 0.276 201 V C 0.506 176.602 176.094 0.002 0.000 1.030 201 V CA 1.189 63.491 62.300 0.004 0.000 1.033 201 V CB -0.087 31.737 31.823 0.002 0.000 0.993 201 V HN 0.974 nan 8.190 nan 0.000 0.477 202 D N 2.625 123.028 120.400 0.006 0.000 2.703 202 D HA -0.157 4.482 4.640 -0.000 0.000 0.185 202 D C 0.268 176.575 176.300 0.011 0.000 0.893 202 D CA 0.847 54.851 54.000 0.006 0.000 0.978 202 D CB -1.677 39.124 40.800 0.000 0.000 1.029 202 D HN 0.717 nan 8.370 nan 0.000 0.468 203 T N -0.511 114.051 114.554 0.014 0.000 2.889 203 T HA 0.395 4.745 4.350 -0.000 0.000 0.291 203 T C 0.321 175.042 174.700 0.034 0.000 0.995 203 T CA -0.189 61.924 62.100 0.021 0.000 1.092 203 T CB 1.456 70.333 68.868 0.016 0.000 0.954 203 T HN 0.382 nan 8.240 nan 0.000 0.506 204 N N 3.947 122.677 118.700 0.050 0.000 2.301 204 N HA -0.001 4.738 4.740 -0.000 0.000 0.267 204 N C -0.919 174.629 175.510 0.063 0.000 1.304 204 N CA -1.275 51.812 53.050 0.062 0.000 0.851 204 N CB 0.710 39.256 38.487 0.099 0.000 1.070 204 N HN 0.508 nan 8.380 nan 0.000 0.483 205 P HA -0.091 nan 4.420 nan 0.000 0.221 205 P C 1.043 178.380 177.300 0.061 0.000 1.155 205 P CA 0.872 64.002 63.100 0.051 0.000 0.812 205 P CB 0.161 31.882 31.700 0.035 0.000 0.801 206 L N -0.320 120.937 121.223 0.057 0.000 2.642 206 L HA -0.014 4.326 4.340 -0.000 0.000 0.236 206 L C 1.154 178.082 176.870 0.096 0.000 1.169 206 L CA 0.001 54.876 54.840 0.058 0.000 0.851 206 L CB -0.990 41.090 42.059 0.035 0.000 0.968 206 L HN -0.047 nan 8.230 nan 0.000 0.453 207 L N 1.086 122.392 121.223 0.139 0.000 2.698 207 L HA -0.050 4.290 4.340 -0.000 0.000 0.272 207 L C 1.900 178.918 176.870 0.247 0.000 1.154 207 L CA 0.049 55.038 54.840 0.248 0.000 0.964 207 L CB 0.088 42.309 42.059 0.270 0.000 1.272 207 L HN 0.281 nan 8.230 nan 0.000 0.483 208 G N 3.463 112.401 108.800 0.230 0.000 2.900 208 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.255 208 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.255 208 G C 0.718 175.616 174.900 -0.004 0.000 1.105 208 G CA 1.415 46.569 45.100 0.091 0.000 0.735 208 G HN 0.898 nan 8.290 nan 0.000 0.652 209 A N -3.380 119.390 122.820 -0.084 0.000 4.422 209 A HA 0.637 4.957 4.320 -0.000 0.000 0.098 209 A C 1.392 178.857 177.584 -0.198 0.000 1.323 209 A CA 0.649 52.611 52.037 -0.125 0.000 2.314 209 A CB -0.774 18.139 19.000 -0.146 0.000 2.799 209 A HN 1.486 nan 8.150 nan 0.000 1.229 210 G N 0.489 109.142 108.800 -0.245 0.000 2.830 210 G HA2 0.316 4.276 3.960 -0.000 0.000 0.172 210 G HA3 0.316 4.276 3.960 -0.000 0.000 0.172 210 G C 0.280 174.945 174.900 -0.392 0.000 1.782 210 G CA 0.329 45.292 45.100 -0.227 0.000 0.900 210 G HN 0.721 nan 8.290 nan 0.000 0.389 211 K N 0.007 120.190 120.400 -0.362 0.000 2.436 211 K HA 0.259 4.579 4.320 -0.000 0.000 0.275 211 K C -1.185 174.936 176.600 -0.798 0.000 0.999 211 K CA 0.378 56.416 56.287 -0.416 0.000 0.980 211 K CB 0.499 32.882 32.500 -0.195 0.000 0.919 211 K HN 0.171 nan 8.250 nan 0.000 0.484 212 F N 0.308 119.851 119.950 -0.678 0.000 2.561 212 F HA 0.465 4.992 4.527 -0.000 0.000 0.321 212 F C 0.205 175.449 175.800 -0.926 0.000 1.065 212 F CA -0.826 56.667 58.000 -0.844 0.000 0.934 212 F CB 1.750 40.158 39.000 -0.987 0.000 1.215 212 F HN 0.445 nan 8.300 nan 0.000 0.471 213 A N 0.978 123.469 122.820 -0.549 0.000 2.324 213 A HA 0.652 4.972 4.320 -0.000 0.000 0.330 213 A C -0.464 177.250 177.584 0.217 0.000 1.165 213 A CA -0.575 51.218 52.037 -0.406 0.000 0.813 213 A CB 0.488 18.816 19.000 -1.120 0.000 1.197 213 A HN 0.675 nan 8.150 nan 0.000 0.484 214 T N 1.905 116.722 114.554 0.439 0.000 2.870 214 T HA 0.105 4.455 4.350 -0.000 0.000 0.300 214 T C 0.048 175.010 174.700 0.436 0.000 0.989 214 T CA 0.298 62.691 62.100 0.488 0.000 1.139 214 T CB 0.276 69.423 68.868 0.464 0.000 0.920 214 T HN 0.638 nan 8.240 nan 0.000 0.537 215 D N 4.759 125.389 120.400 0.384 0.000 2.346 215 D HA 0.054 4.694 4.640 -0.000 0.000 0.260 215 D C -0.983 175.476 176.300 0.264 0.000 1.252 215 D CA -2.109 52.114 54.000 0.371 0.000 0.895 215 D CB 1.322 42.236 40.800 0.191 0.000 1.097 215 D HN 0.204 nan 8.370 nan 0.000 0.489 216 P HA -0.203 nan 4.420 nan 0.000 0.219 216 P C 0.978 178.367 177.300 0.149 0.000 1.144 216 P CA 0.931 64.179 63.100 0.246 0.000 0.806 216 P CB 0.226 32.010 31.700 0.141 0.000 0.771 217 A N -0.215 122.604 122.820 -0.000 0.000 1.969 217 A HA -0.063 4.257 4.320 -0.000 0.000 0.218 217 A C 2.441 179.967 177.584 -0.096 0.000 1.169 217 A CA 1.356 53.301 52.037 -0.153 0.000 0.635 217 A CB -1.415 17.354 19.000 -0.385 0.000 0.810 217 A HN 0.100 nan 8.150 nan 0.000 0.445 218 V N -0.275 119.648 119.914 0.016 0.000 2.379 218 V HA -0.191 3.929 4.120 -0.000 0.000 0.245 218 V C 2.730 178.864 176.094 0.066 0.000 1.044 218 V CA 2.377 64.740 62.300 0.106 0.000 1.036 218 V CB -1.142 30.774 31.823 0.155 0.000 0.664 218 V HN 0.603 nan 8.190 nan 0.000 0.453 219 T N 0.658 115.306 114.554 0.156 0.000 2.708 219 T HA -0.211 4.139 4.350 -0.000 0.000 0.266 219 T C 1.905 176.670 174.700 0.108 0.000 1.037 219 T CA 1.903 64.162 62.100 0.265 0.000 1.146 219 T CB -0.373 68.835 68.868 0.566 0.000 0.865 219 T HN 0.292 nan 8.240 nan 0.000 0.435 220 L N 1.445 122.556 121.223 -0.187 0.000 2.046 220 L HA 0.083 4.423 4.340 -0.000 0.000 0.208 220 L C 2.644 179.225 176.870 -0.482 0.000 1.077 220 L CA 1.864 56.304 54.840 -0.667 0.000 0.747 220 L CB -1.069 40.373 42.059 -1.030 0.000 0.896 220 L HN 0.236 nan 8.230 nan 0.000 0.432 221 A N -1.305 121.240 122.820 -0.459 0.000 1.908 221 A HA -0.334 3.986 4.320 -0.000 0.000 0.218 221 A C 2.253 179.576 177.584 -0.435 0.000 1.181 221 A CA 1.934 53.574 52.037 -0.661 0.000 0.627 221 A CB -1.122 17.224 19.000 -1.089 0.000 0.818 221 A HN 0.759 nan 8.150 nan 0.000 0.445 222 H N -0.233 118.658 119.070 -0.299 0.000 2.290 222 H HA -0.137 4.419 4.556 -0.000 0.000 0.298 222 H C 1.987 177.196 175.328 -0.198 0.000 1.087 222 H CA 2.090 58.023 56.048 -0.191 0.000 1.291 222 H CB 0.042 29.781 29.762 -0.038 0.000 1.369 222 H HN 0.389 nan 8.280 nan 0.000 0.492 223 E N 0.533 120.745 120.200 0.019 0.000 2.110 223 E HA -0.133 4.217 4.350 -0.000 0.000 0.193 223 E C 2.575 179.115 176.600 -0.100 0.000 0.988 223 E CA 0.891 57.326 56.400 0.058 0.000 0.804 223 E CB -0.301 29.458 29.700 0.098 0.000 0.745 223 E HN 0.565 nan 8.360 nan 0.000 0.458 224 L N 0.435 121.518 121.223 -0.233 0.000 2.191 224 L HA -0.117 4.223 4.340 -0.000 0.000 0.212 224 L C 2.398 179.116 176.870 -0.253 0.000 1.103 224 L CA 0.601 55.298 54.840 -0.238 0.000 0.769 224 L CB -0.298 41.550 42.059 -0.351 0.000 0.908 224 L HN 0.098 nan 8.230 nan 0.000 0.438 225 I N -1.379 118.976 120.570 -0.357 0.000 2.286 225 I HA -0.253 3.917 4.170 -0.000 0.000 0.245 225 I C 2.597 178.319 176.117 -0.659 0.000 1.104 225 I CA 0.770 61.793 61.300 -0.462 0.000 1.397 225 I CB -0.433 37.285 38.000 -0.470 0.000 1.072 225 I HN 0.294 nan 8.210 nan 0.000 0.417 226 H N 0.878 119.689 119.070 -0.432 0.000 2.321 226 H HA -0.098 4.458 4.556 -0.000 0.000 0.300 226 H C 2.378 177.612 175.328 -0.156 0.000 1.087 226 H CA 1.634 57.505 56.048 -0.295 0.000 1.319 226 H CB -0.379 29.318 29.762 -0.108 0.000 1.379 226 H HN 0.336 nan 8.280 nan 0.000 0.501 227 A N 1.461 124.302 122.820 0.035 0.000 1.917 227 A HA -0.264 4.056 4.320 -0.000 0.000 0.219 227 A C 2.418 180.059 177.584 0.095 0.000 1.182 227 A CA 2.214 54.294 52.037 0.073 0.000 0.633 227 A CB -0.466 18.566 19.000 0.054 0.000 0.819 227 A HN 0.696 nan 8.150 nan 0.000 0.448 228 E N -0.536 119.679 120.200 0.026 0.000 2.110 228 E HA -0.240 4.110 4.350 -0.000 0.000 0.193 228 E C 1.673 178.452 176.600 0.297 0.000 0.988 228 E CA 1.608 58.105 56.400 0.162 0.000 0.804 228 E CB -0.829 28.920 29.700 0.081 0.000 0.745 228 E HN 0.833 nan 8.360 nan 0.000 0.458 229 H N 0.596 119.750 119.070 0.141 0.000 2.321 229 H HA 0.051 4.607 4.556 -0.000 0.000 0.300 229 H C 2.249 177.670 175.328 0.156 0.000 1.087 229 H CA 1.234 57.342 56.048 0.100 0.000 1.319 229 H CB 0.027 29.820 29.762 0.052 0.000 1.379 229 H HN 0.056 nan 8.280 nan 0.000 0.501 230 R N 0.497 121.167 120.500 0.282 0.000 2.115 230 R HA -0.077 4.263 4.340 -0.000 0.000 0.230 230 R C 2.304 178.737 176.300 0.221 0.000 1.111 230 R CA 0.836 57.069 56.100 0.222 0.000 0.976 230 R CB -0.134 30.274 30.300 0.180 0.000 0.870 230 R HN 0.278 nan 8.270 nan 0.000 0.445 231 L N -0.877 120.482 121.223 0.227 0.000 2.141 231 L HA -0.143 4.197 4.340 -0.000 0.000 0.209 231 L C 1.275 178.166 176.870 0.035 0.000 1.094 231 L CA 1.080 56.002 54.840 0.137 0.000 0.763 231 L CB -0.078 42.046 42.059 0.108 0.000 0.908 231 L HN 0.191 nan 8.230 nan 0.000 0.437 232 Y N -0.236 120.176 120.300 0.187 0.000 2.461 232 Y HA 0.228 4.778 4.550 -0.000 0.000 0.277 232 Y C 1.686 177.766 175.900 0.300 0.000 1.182 232 Y CA 0.171 58.411 58.100 0.234 0.000 1.276 232 Y CB -0.091 38.520 38.460 0.252 0.000 1.087 232 Y HN 0.194 nan 8.280 nan 0.000 0.519 233 G N 2.020 111.010 108.800 0.316 0.000 2.305 233 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.287 233 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.287 233 G C 0.524 175.507 174.900 0.139 0.000 1.036 233 G CA 0.860 46.122 45.100 0.270 0.000 0.887 233 G HN 0.684 nan 8.290 nan 0.000 0.505 234 I N -3.197 117.339 120.570 -0.058 0.000 3.569 234 I HA 0.762 4.932 4.170 -0.000 0.000 0.334 234 I C 0.866 176.705 176.117 -0.463 0.000 1.570 234 I CA -0.358 60.493 61.300 -0.748 0.000 1.082 234 I CB 0.448 38.142 38.000 -0.510 0.000 1.323 234 I HN 0.290 nan 8.210 nan 0.000 0.489 235 A N 1.840 124.593 122.820 -0.112 0.000 2.371 235 A HA 0.639 4.959 4.320 -0.000 0.000 0.257 235 A C 0.084 177.658 177.584 -0.016 0.000 1.089 235 A CA -0.327 51.702 52.037 -0.013 0.000 0.794 235 A CB 0.325 19.387 19.000 0.103 0.000 1.029 235 A HN 0.497 nan 8.150 nan 0.000 0.488 236 I N 2.349 122.869 120.570 -0.084 0.000 2.371 236 I HA 0.044 4.214 4.170 -0.000 0.000 0.290 236 I C 0.713 176.793 176.117 -0.061 0.000 1.028 236 I CA -0.594 60.599 61.300 -0.178 0.000 1.345 236 I CB 0.498 38.326 38.000 -0.287 0.000 1.407 236 I HN 0.664 nan 8.210 nan 0.000 0.501 237 N N 9.323 127.992 118.700 -0.052 0.000 2.223 237 N HA -0.057 4.683 4.740 -0.000 0.000 0.271 237 N C -1.354 174.138 175.510 -0.030 0.000 1.315 237 N CA -0.802 52.238 53.050 -0.017 0.000 0.835 237 N CB 0.949 39.423 38.487 -0.021 0.000 1.066 237 N HN 0.404 nan 8.380 nan 0.000 0.486 238 P HA -0.143 nan 4.420 nan 0.000 0.231 238 P C 0.551 177.828 177.300 -0.038 0.000 1.158 238 P CA 0.932 64.023 63.100 -0.015 0.000 0.763 238 P CB 0.153 31.850 31.700 -0.005 0.000 0.805 239 N N -0.167 118.504 118.700 -0.049 0.000 2.300 239 N HA -0.102 4.638 4.740 -0.000 0.000 0.179 239 N C 0.842 176.274 175.510 -0.130 0.000 1.016 239 N CA 0.508 53.518 53.050 -0.066 0.000 0.876 239 N CB -0.665 37.793 38.487 -0.048 0.000 0.979 239 N HN -0.172 nan 8.380 nan 0.000 0.432 240 R N 1.366 121.757 120.500 -0.182 0.000 2.343 240 R HA 0.179 4.519 4.340 -0.000 0.000 0.326 240 R C -0.207 175.747 176.300 -0.577 0.000 1.055 240 R CA -0.137 55.713 56.100 -0.418 0.000 0.961 240 R CB -0.118 29.950 30.300 -0.386 0.000 0.978 240 R HN 0.297 nan 8.270 nan 0.000 0.443 241 V N 0.168 119.758 119.914 -0.539 0.000 3.102 241 V HA 0.665 4.785 4.120 -0.000 0.000 0.312 241 V C -0.896 175.157 176.094 -0.070 0.000 1.135 241 V CA -1.291 60.861 62.300 -0.246 0.000 1.022 241 V CB 2.461 34.234 31.823 -0.082 0.000 1.056 241 V HN 0.466 nan 8.190 nan 0.000 0.436 242 F N 1.472 121.492 119.950 0.117 0.000 2.467 242 F HA 0.755 5.282 4.527 -0.000 0.000 0.336 242 F C 0.115 175.962 175.800 0.078 0.000 1.123 242 F CA -0.875 57.254 58.000 0.215 0.000 0.964 242 F CB 1.931 41.149 39.000 0.364 0.000 1.136 242 F HN 0.519 nan 8.300 nan 0.000 0.447 243 K N 5.339 125.564 120.400 -0.290 0.000 2.171 243 K HA 0.306 4.626 4.320 -0.000 0.000 0.274 243 K C -0.831 175.794 176.600 0.043 0.000 1.110 243 K CA -0.116 56.108 56.287 -0.104 0.000 0.952 243 K CB 0.348 32.748 32.500 -0.167 0.000 1.309 243 K HN 0.405 nan 8.250 nan 0.000 0.414 244 V N 2.926 123.022 119.914 0.303 0.000 2.529 244 V HA -0.047 4.073 4.120 -0.000 0.000 0.292 244 V C 0.560 176.783 176.094 0.215 0.000 1.028 244 V CA -0.481 62.049 62.300 0.383 0.000 1.074 244 V CB 0.430 32.538 31.823 0.475 0.000 0.958 244 V HN 0.632 nan 8.190 nan 0.000 0.481 245 N N 4.234 123.044 118.700 0.183 0.000 2.415 245 N HA 0.140 4.880 4.740 -0.000 0.000 0.250 245 N C 0.705 176.282 175.510 0.111 0.000 1.127 245 N CA 0.268 53.386 53.050 0.112 0.000 0.945 245 N CB 1.100 39.634 38.487 0.079 0.000 1.196 245 N HN 0.713 nan 8.380 nan 0.000 0.499 246 T N 1.992 116.605 114.554 0.097 0.000 2.914 246 T HA 0.180 4.530 4.350 -0.000 0.000 0.240 246 T C 0.546 175.273 174.700 0.045 0.000 1.025 246 T CA 0.523 62.667 62.100 0.073 0.000 1.198 246 T CB -0.045 68.835 68.868 0.019 0.000 0.892 246 T HN 0.414 nan 8.240 nan 0.000 0.417 247 N N -0.668 118.079 118.700 0.079 0.000 2.815 247 N HA 0.633 5.373 4.740 -0.000 0.000 0.315 247 N C 0.341 175.811 175.510 -0.066 0.000 1.320 247 N CA -0.134 52.908 53.050 -0.012 0.000 0.846 247 N CB 1.521 40.082 38.487 0.123 0.000 1.344 247 N HN 0.223 nan 8.380 nan 0.000 0.593 248 A N -0.557 122.076 122.820 -0.310 0.000 2.288 248 A HA 0.161 4.480 4.320 -0.000 0.000 0.216 248 A C 0.388 177.920 177.584 -0.088 0.000 1.199 248 A CA 0.176 52.092 52.037 -0.203 0.000 0.891 248 A CB -0.305 18.536 19.000 -0.265 0.000 0.923 248 A HN 0.659 nan 8.150 nan 0.000 0.500 249 Y N -1.980 118.327 120.300 0.011 0.000 2.495 249 Y HA 0.266 4.816 4.550 -0.000 0.000 0.293 249 Y C -0.559 175.080 175.900 -0.436 0.000 1.186 249 Y CA -0.188 57.816 58.100 -0.160 0.000 1.266 249 Y CB -0.091 38.282 38.460 -0.144 0.000 1.101 249 Y HN 0.301 nan 8.280 nan 0.000 0.517 250 Y N 0.668 121.022 120.300 0.090 0.000 2.475 250 Y HA 0.189 4.738 4.550 -0.000 0.000 0.343 250 Y C 0.217 176.135 175.900 0.030 0.000 1.068 250 Y CA -1.697 56.438 58.100 0.057 0.000 1.307 250 Y CB 0.487 38.975 38.460 0.048 0.000 1.097 250 Y HN 0.090 nan 8.280 nan 0.000 0.530 255 L N 2.733 123.967 121.223 0.019 0.000 2.471 255 L HA 0.495 4.835 4.340 -0.000 0.000 0.263 255 L C -0.129 176.781 176.870 0.066 0.000 0.985 255 L CA -0.458 54.386 54.840 0.007 0.000 0.868 255 L CB 1.336 43.392 42.059 -0.004 0.000 1.203 255 L HN 0.703 nan 8.230 nan 0.000 0.429 256 E N 3.355 123.577 120.200 0.037 0.000 2.338 256 E HA 0.432 4.782 4.350 -0.000 0.000 0.272 256 E C -0.916 175.701 176.600 0.027 0.000 1.029 256 E CA -0.311 56.113 56.400 0.040 0.000 0.872 256 E CB 2.172 31.879 29.700 0.011 0.000 1.015 256 E HN 0.335 nan 8.360 nan 0.000 0.417 257 V N 2.346 122.279 119.914 0.032 0.000 2.686 257 V HA 0.149 4.269 4.120 -0.000 0.000 0.306 257 V C -0.024 176.108 176.094 0.064 0.000 1.065 257 V CA -0.917 61.349 62.300 -0.058 0.000 0.894 257 V CB 1.935 33.548 31.823 -0.350 0.000 1.004 257 V HN 0.807 nan 8.190 nan 0.000 0.424 258 S N 3.877 119.613 115.700 0.060 0.000 2.592 258 S HA 0.404 4.874 4.470 -0.000 0.000 0.271 258 S C 0.909 175.685 174.600 0.293 0.000 1.326 258 S CA -0.279 57.991 58.200 0.117 0.000 1.024 258 S CB 0.552 63.791 63.200 0.065 0.000 0.921 258 S HN 0.405 nan 8.310 nan 0.000 0.527 259 F N 1.302 121.314 119.950 0.102 0.000 2.126 259 F HA -0.019 4.508 4.527 -0.000 0.000 0.299 259 F C 2.555 178.405 175.800 0.082 0.000 1.096 259 F CA 1.610 59.684 58.000 0.122 0.000 1.255 259 F CB -1.519 37.580 39.000 0.165 0.000 0.997 259 F HN 0.756 nan 8.300 nan 0.000 0.479 260 E N 0.597 120.953 120.200 0.259 0.000 2.130 260 E HA -0.214 4.136 4.350 -0.000 0.000 0.196 260 E C 2.012 178.790 176.600 0.297 0.000 0.998 260 E CA 1.688 58.215 56.400 0.211 0.000 0.806 260 E CB -0.172 29.628 29.700 0.167 0.000 0.738 260 E HN 0.252 nan 8.360 nan 0.000 0.459 261 E N 0.073 120.436 120.200 0.272 0.000 2.028 261 E HA -0.111 4.239 4.350 -0.000 0.000 0.190 261 E C 2.399 179.133 176.600 0.223 0.000 0.984 261 E CA 0.979 57.552 56.400 0.287 0.000 0.800 261 E CB -0.489 29.317 29.700 0.177 0.000 0.758 261 E HN 0.359 nan 8.360 nan 0.000 0.448 262 L N 0.724 122.037 121.223 0.151 0.000 2.043 262 L HA -0.211 4.129 4.340 -0.000 0.000 0.212 262 L C 2.859 179.800 176.870 0.118 0.000 1.075 262 L CA 1.579 56.483 54.840 0.106 0.000 0.752 262 L CB -0.536 41.557 42.059 0.057 0.000 0.891 262 L HN 0.101 nan 8.230 nan 0.000 0.432 263 R N -0.067 120.496 120.500 0.105 0.000 2.073 263 R HA -0.158 4.182 4.340 -0.000 0.000 0.234 263 R C 2.224 178.578 176.300 0.089 0.000 1.134 263 R CA 2.115 58.252 56.100 0.062 0.000 0.952 263 R CB -0.434 29.878 30.300 0.021 0.000 0.850 263 R HN 0.221 nan 8.270 nan 0.000 0.433 264 T N 0.672 115.295 114.554 0.115 0.000 2.720 264 T HA -0.175 4.175 4.350 -0.000 0.000 0.268 264 T C 1.347 176.065 174.700 0.030 0.000 1.037 264 T CA 1.595 63.678 62.100 -0.029 0.000 1.144 264 T CB -0.391 68.233 68.868 -0.408 0.000 0.864 264 T HN 0.310 nan 8.240 nan 0.000 0.444 265 F N 1.713 121.692 119.950 0.047 0.000 2.234 265 F HA 0.203 4.730 4.527 -0.000 0.000 0.299 265 F C 1.583 177.399 175.800 0.027 0.000 1.087 265 F CA 0.889 58.942 58.000 0.089 0.000 1.340 265 F CB -0.675 38.388 39.000 0.105 0.000 1.031 265 F HN 0.387 nan 8.300 nan 0.000 0.500 266 G N 0.051 108.937 108.800 0.143 0.000 2.601 266 G HA2 0.135 4.095 3.960 -0.000 0.000 0.252 266 G HA3 0.135 4.095 3.960 -0.000 0.000 0.252 266 G C 0.719 175.665 174.900 0.076 0.000 1.294 266 G CA 0.018 45.136 45.100 0.029 0.000 0.912 266 G HN 1.574 nan 8.290 nan 0.000 0.574 267 G N -1.816 106.977 108.800 -0.011 0.000 2.564 267 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.273 267 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.273 267 G C 0.967 175.877 174.900 0.018 0.000 1.242 267 G CA 1.583 46.696 45.100 0.022 0.000 0.951 267 G HN 2.298 nan 8.290 nan 0.000 0.564 268 H N 1.319 120.352 119.070 -0.062 0.000 2.387 268 H HA -0.077 4.478 4.556 -0.000 0.000 0.299 268 H C 2.226 177.328 175.328 -0.378 0.000 1.090 268 H CA 2.324 58.272 56.048 -0.166 0.000 1.332 268 H CB -0.153 29.520 29.762 -0.148 0.000 1.386 268 H HN 0.529 nan 8.280 nan 0.000 0.516 269 D N 0.652 120.868 120.400 -0.306 0.000 2.219 269 D HA -0.077 4.563 4.640 -0.000 0.000 0.205 269 D C 2.207 178.195 176.300 -0.520 0.000 0.970 269 D CA 0.990 54.590 54.000 -0.667 0.000 0.851 269 D CB -0.347 40.312 40.800 -0.234 0.000 0.943 269 D HN 0.483 nan 8.370 nan 0.000 0.488 270 A N 1.370 124.051 122.820 -0.230 0.000 1.972 270 A HA -0.175 4.145 4.320 -0.000 0.000 0.219 270 A C 1.944 179.405 177.584 -0.204 0.000 1.169 270 A CA 1.154 53.102 52.037 -0.148 0.000 0.635 270 A CB -0.204 18.753 19.000 -0.072 0.000 0.810 270 A HN -0.015 nan 8.150 nan 0.000 0.446 271 K N -0.454 119.771 120.400 -0.291 0.000 2.442 271 K HA -0.007 4.313 4.320 -0.000 0.000 0.198 271 K C 0.986 177.527 176.600 -0.100 0.000 1.042 271 K CA 0.384 56.542 56.287 -0.215 0.000 0.958 271 K CB -0.512 31.828 32.500 -0.266 0.000 0.766 271 K HN 0.518 nan 8.250 nan 0.000 0.474 272 F N 0.855 120.608 119.950 -0.328 0.000 2.546 272 F HA 0.022 4.549 4.527 -0.000 0.000 0.298 272 F C 1.036 176.637 175.800 -0.332 0.000 1.120 272 F CA -0.175 57.565 58.000 -0.433 0.000 1.456 272 F CB -0.599 37.953 39.000 -0.747 0.000 1.088 272 F HN -0.138 nan 8.300 nan 0.000 0.572 273 I N 2.196 122.651 120.570 -0.191 0.000 2.281 273 I HA 0.052 4.222 4.170 -0.000 0.000 0.293 273 I C 0.328 176.358 176.117 -0.145 0.000 1.085 273 I CA -0.783 60.290 61.300 -0.378 0.000 1.257 273 I CB -0.072 37.705 38.000 -0.372 0.000 1.430 273 I HN -0.030 nan 8.210 nan 0.000 0.489 274 D N 4.029 124.388 120.400 -0.068 0.000 2.362 274 D HA -0.093 4.547 4.640 -0.000 0.000 0.238 274 D C 1.115 177.392 176.300 -0.040 0.000 1.212 274 D CA -0.091 53.898 54.000 -0.018 0.000 0.902 274 D CB 1.082 41.899 40.800 0.030 0.000 1.180 274 D HN 0.370 nan 8.370 nan 0.000 0.445 275 S N -0.017 115.668 115.700 -0.026 0.000 2.383 275 S HA -0.175 4.295 4.470 -0.000 0.000 0.229 275 S C 1.951 176.521 174.600 -0.051 0.000 1.030 275 S CA 0.607 58.788 58.200 -0.031 0.000 1.002 275 S CB -0.298 62.889 63.200 -0.021 0.000 0.829 275 S HN 0.443 nan 8.310 nan 0.000 0.467 276 L N 1.243 122.435 121.223 -0.052 0.000 2.046 276 L HA 0.009 4.349 4.340 -0.000 0.000 0.208 276 L C 2.639 179.422 176.870 -0.146 0.000 1.077 276 L CA 1.765 56.561 54.840 -0.073 0.000 0.747 276 L CB -1.269 40.761 42.059 -0.048 0.000 0.896 276 L HN 0.327 nan 8.230 nan 0.000 0.432 277 Q N -1.121 118.570 119.800 -0.181 0.000 2.083 277 Q HA -0.151 4.189 4.340 -0.000 0.000 0.198 277 Q C 2.236 177.895 176.000 -0.569 0.000 0.969 277 Q CA 1.050 56.598 55.803 -0.426 0.000 0.838 277 Q CB 0.017 28.610 28.738 -0.241 0.000 0.900 277 Q HN 0.287 nan 8.270 nan 0.000 0.436 278 E N 0.347 120.433 120.200 -0.190 0.000 2.023 278 E HA -0.189 4.161 4.350 -0.000 0.000 0.196 278 E C 1.694 178.299 176.600 0.008 0.000 1.003 278 E CA 1.121 57.532 56.400 0.020 0.000 0.809 278 E CB -0.328 29.403 29.700 0.051 0.000 0.755 278 E HN 0.360 nan 8.360 nan 0.000 0.449 279 N N 0.978 119.647 118.700 -0.051 0.000 2.104 279 N HA -0.196 4.544 4.740 -0.000 0.000 0.190 279 N C 1.808 177.283 175.510 -0.059 0.000 1.024 279 N CA 1.163 54.185 53.050 -0.046 0.000 0.853 279 N CB -0.419 38.034 38.487 -0.056 0.000 1.008 279 N HN 0.380 nan 8.380 nan 0.000 0.424 280 E N -0.097 120.011 120.200 -0.152 0.000 2.049 280 E HA -0.188 4.162 4.350 -0.000 0.000 0.198 280 E C 1.515 178.113 176.600 -0.004 0.000 1.007 280 E CA 1.158 57.469 56.400 -0.147 0.000 0.809 280 E CB -0.108 29.415 29.700 -0.295 0.000 0.749 280 E HN 0.185 nan 8.360 nan 0.000 0.450 281 F N 0.870 120.888 119.950 0.114 0.000 2.095 281 F HA -0.106 4.421 4.527 -0.000 0.000 0.298 281 F C 2.671 178.616 175.800 0.241 0.000 1.104 281 F CA 1.362 59.487 58.000 0.208 0.000 1.232 281 F CB -1.011 38.210 39.000 0.368 0.000 0.987 281 F HN 0.034 nan 8.300 nan 0.000 0.475 282 R N 0.214 120.876 120.500 0.270 0.000 2.091 282 R HA -0.154 4.186 4.340 -0.000 0.000 0.238 282 R C 2.231 178.525 176.300 -0.010 0.000 1.136 282 R CA 1.041 57.075 56.100 -0.110 0.000 0.959 282 R CB -0.408 29.762 30.300 -0.218 0.000 0.856 282 R HN 0.214 nan 8.270 nan 0.000 0.437 283 L N -0.040 121.191 121.223 0.015 0.000 2.093 283 L HA -0.206 4.134 4.340 -0.000 0.000 0.208 283 L C 2.128 179.025 176.870 0.046 0.000 1.085 283 L CA 1.609 56.454 54.840 0.007 0.000 0.755 283 L CB -1.013 41.048 42.059 0.004 0.000 0.904 283 L HN 0.279 nan 8.230 nan 0.000 0.435 284 Y N -0.246 120.006 120.300 -0.079 0.000 2.114 284 Y HA -0.323 4.227 4.550 -0.000 0.000 0.284 284 Y C 2.593 178.352 175.900 -0.234 0.000 1.143 284 Y CA 1.922 59.910 58.100 -0.188 0.000 1.135 284 Y CB -0.486 37.803 38.460 -0.284 0.000 0.980 284 Y HN 0.105 nan 8.280 nan 0.000 0.499 285 Y N -1.538 118.898 120.300 0.226 0.000 2.293 285 Y HA -0.219 4.331 4.550 -0.000 0.000 0.291 285 Y C 2.350 178.164 175.900 -0.143 0.000 1.137 285 Y CA 1.360 59.554 58.100 0.155 0.000 1.202 285 Y CB -1.325 37.365 38.460 0.384 0.000 0.990 285 Y HN 0.348 nan 8.280 nan 0.000 0.537 286 Y N 1.182 121.203 120.300 -0.465 0.000 2.128 286 Y HA -0.309 4.241 4.550 -0.000 0.000 0.284 286 Y C 2.310 177.920 175.900 -0.483 0.000 1.154 286 Y CA 1.925 59.354 58.100 -1.118 0.000 1.149 286 Y CB -0.782 37.014 38.460 -1.107 0.000 0.976 286 Y HN 0.171 nan 8.280 nan 0.000 0.505 287 N N -0.100 118.375 118.700 -0.375 0.000 2.166 287 N HA -0.167 4.573 4.740 -0.000 0.000 0.186 287 N C 1.650 176.975 175.510 -0.308 0.000 1.019 287 N CA 1.336 54.158 53.050 -0.379 0.000 0.856 287 N CB -0.066 38.253 38.487 -0.280 0.000 0.993 287 N HN 0.110 nan 8.380 nan 0.000 0.426 288 K N -0.368 119.897 120.400 -0.224 0.000 2.148 288 K HA -0.043 4.277 4.320 -0.000 0.000 0.204 288 K C 1.496 178.134 176.600 0.064 0.000 1.050 288 K CA 0.681 56.923 56.287 -0.074 0.000 0.942 288 K CB -0.458 32.089 32.500 0.080 0.000 0.724 288 K HN 0.258 nan 8.250 nan 0.000 0.446 289 F N 1.758 121.584 119.950 -0.206 0.000 2.206 289 F HA -0.031 4.496 4.527 -0.000 0.000 0.298 289 F C 2.085 177.683 175.800 -0.336 0.000 1.090 289 F CA 0.866 58.715 58.000 -0.251 0.000 1.323 289 F CB -0.276 38.698 39.000 -0.042 0.000 1.028 289 F HN -0.033 nan 8.300 nan 0.000 0.492 290 K N -0.040 120.238 120.400 -0.204 0.000 2.097 290 K HA -0.168 4.152 4.320 -0.000 0.000 0.206 290 K C 1.557 178.047 176.600 -0.185 0.000 1.049 290 K CA 1.521 57.659 56.287 -0.249 0.000 0.933 290 K CB -0.273 32.002 32.500 -0.376 0.000 0.717 290 K HN 0.153 nan 8.250 nan 0.000 0.442 291 D N 0.450 120.741 120.400 -0.182 0.000 2.144 291 D HA -0.110 4.530 4.640 -0.000 0.000 0.200 291 D C 1.899 178.094 176.300 -0.176 0.000 0.978 291 D CA 0.760 54.675 54.000 -0.142 0.000 0.833 291 D CB -0.125 40.605 40.800 -0.118 0.000 0.961 291 D HN -0.072 nan 8.370 nan 0.000 0.470 292 V N 1.265 120.983 119.914 -0.326 0.000 2.427 292 V HA -0.203 3.917 4.120 -0.000 0.000 0.248 292 V C 2.494 178.383 176.094 -0.341 0.000 1.051 292 V CA 1.635 63.576 62.300 -0.598 0.000 1.048 292 V CB -0.707 30.439 31.823 -1.128 0.000 0.666 292 V HN 0.172 nan 8.190 nan 0.000 0.456 293 A N -0.266 122.423 122.820 -0.218 0.000 1.877 293 A HA -0.220 4.100 4.320 -0.000 0.000 0.216 293 A C 2.504 180.113 177.584 0.040 0.000 1.186 293 A CA 2.332 54.352 52.037 -0.029 0.000 0.620 293 A CB -0.800 18.199 19.000 -0.002 0.000 0.822 293 A HN 0.500 nan 8.150 nan 0.000 0.443 294 S N -0.420 115.272 115.700 -0.013 0.000 2.359 294 S HA -0.159 4.311 4.470 -0.000 0.000 0.224 294 S C 2.075 176.700 174.600 0.042 0.000 1.035 294 S CA 1.895 60.100 58.200 0.009 0.000 1.018 294 S CB -0.680 62.510 63.200 -0.017 0.000 0.876 294 S HN 0.707 nan 8.310 nan 0.000 0.448 295 T N 2.856 117.436 114.554 0.042 0.000 2.720 295 T HA -0.034 4.315 4.350 -0.000 0.000 0.268 295 T C 1.740 176.535 174.700 0.158 0.000 1.037 295 T CA 1.108 63.272 62.100 0.107 0.000 1.144 295 T CB -0.480 68.486 68.868 0.164 0.000 0.864 295 T HN 0.251 nan 8.240 nan 0.000 0.444 296 L N 1.018 122.361 121.223 0.200 0.000 2.083 296 L HA -0.105 4.235 4.340 -0.000 0.000 0.209 296 L C 2.545 179.526 176.870 0.186 0.000 1.083 296 L CA 0.912 55.918 54.840 0.277 0.000 0.752 296 L CB -0.551 41.770 42.059 0.436 0.000 0.899 296 L HN 0.223 nan 8.230 nan 0.000 0.433 297 N N 0.519 119.294 118.700 0.125 0.000 2.188 297 N HA -0.140 4.600 4.740 -0.000 0.000 0.184 297 N C 1.545 177.067 175.510 0.020 0.000 1.018 297 N CA 1.174 54.241 53.050 0.028 0.000 0.858 297 N CB -0.083 38.411 38.487 0.012 0.000 0.989 297 N HN 0.349 nan 8.380 nan 0.000 0.426 298 K N 0.500 120.925 120.400 0.042 0.000 2.487 298 K HA 0.209 4.529 4.320 -0.000 0.000 0.192 298 K C 0.292 176.918 176.600 0.042 0.000 1.027 298 K CA -0.109 56.198 56.287 0.034 0.000 1.054 298 K CB 0.375 32.898 32.500 0.037 0.000 0.824 298 K HN 0.060 nan 8.250 nan 0.000 0.510 299 A N 1.511 124.366 122.820 0.058 0.000 2.362 299 A HA 0.159 4.479 4.320 -0.000 0.000 0.276 299 A C 0.529 178.138 177.584 0.041 0.000 1.153 299 A CA -0.204 51.869 52.037 0.061 0.000 0.813 299 A CB 0.383 19.435 19.000 0.087 0.000 1.081 299 A HN 0.007 nan 8.150 nan 0.000 0.507 300 K N 0.845 121.267 120.400 0.037 0.000 2.464 300 K HA 0.150 4.470 4.320 -0.000 0.000 0.206 300 K C 0.378 176.997 176.600 0.031 0.000 1.186 300 K CA 0.951 57.254 56.287 0.027 0.000 0.990 300 K CB 0.464 32.976 32.500 0.020 0.000 1.003 300 K HN 0.814 nan 8.250 nan 0.000 0.562 301 S N -0.205 115.520 115.700 0.042 0.000 2.661 301 S HA 0.705 5.175 4.470 -0.000 0.000 0.285 301 S C -0.820 173.821 174.600 0.068 0.000 1.138 301 S CA -0.848 57.380 58.200 0.047 0.000 0.855 301 S CB 2.115 65.342 63.200 0.044 0.000 1.136 301 S HN 0.091 nan 8.310 nan 0.000 0.484 302 I N 1.557 122.175 120.570 0.080 0.000 2.569 302 I HA 0.490 4.660 4.170 -0.000 0.000 0.290 302 I C -1.563 174.650 176.117 0.160 0.000 1.088 302 I CA -1.226 60.153 61.300 0.132 0.000 1.047 302 I CB 1.290 39.336 38.000 0.077 0.000 1.237 302 I HN 0.658 nan 8.210 nan 0.000 0.421 303 I N 5.775 126.475 120.570 0.216 0.000 2.783 303 I HA 0.430 4.600 4.170 -0.000 0.000 0.312 303 I C 1.276 177.516 176.117 0.205 0.000 0.988 303 I CA -0.298 61.096 61.300 0.156 0.000 1.182 303 I CB 0.916 38.967 38.000 0.084 0.000 1.368 303 I HN 0.874 nan 8.210 nan 0.000 0.511 304 G N 3.060 111.928 108.800 0.114 0.000 2.221 304 G HA2 -0.239 3.720 3.960 -0.000 0.000 0.265 304 G HA3 -0.239 3.720 3.960 -0.000 0.000 0.265 304 G C 0.452 175.457 174.900 0.175 0.000 1.041 304 G CA 0.368 45.533 45.100 0.108 0.000 0.807 304 G HN 0.681 nan 8.290 nan 0.000 0.502 305 T N -0.162 114.474 114.554 0.137 0.000 2.897 305 T HA 0.356 4.706 4.350 -0.000 0.000 0.304 305 T C 1.536 176.286 174.700 0.084 0.000 1.051 305 T CA 1.782 63.946 62.100 0.108 0.000 1.132 305 T CB 0.414 69.323 68.868 0.067 0.000 1.066 305 T HN 1.105 nan 8.240 nan 0.000 0.518 306 T N -0.428 114.161 114.554 0.059 0.000 3.995 306 T HA 0.182 4.532 4.350 -0.000 0.000 0.296 306 T C 0.438 175.129 174.700 -0.014 0.000 0.760 306 T CA -0.124 61.991 62.100 0.025 0.000 1.231 306 T CB -0.513 68.380 68.868 0.041 0.000 0.863 306 T HN 0.852 nan 8.240 nan 0.000 0.429 307 A N 2.841 125.652 122.820 -0.015 0.000 2.371 307 A HA 0.719 5.039 4.320 -0.000 0.000 0.257 307 A C 0.756 178.316 177.584 -0.040 0.000 1.089 307 A CA 0.196 52.188 52.037 -0.076 0.000 0.794 307 A CB 0.162 19.121 19.000 -0.069 0.000 1.029 307 A HN 0.940 nan 8.150 nan 0.000 0.488 308 S N 1.593 117.275 115.700 -0.030 0.000 2.603 308 S HA 0.257 4.727 4.470 -0.000 0.000 0.268 308 S C 1.002 175.618 174.600 0.027 0.000 1.317 308 S CA -0.084 58.122 58.200 0.010 0.000 1.012 308 S CB 0.624 63.837 63.200 0.021 0.000 0.926 308 S HN 1.118 nan 8.310 nan 0.000 0.539 309 L N 1.256 122.491 121.223 0.019 0.000 1.994 309 L HA -0.052 4.288 4.340 -0.000 0.000 0.208 309 L C 2.769 179.659 176.870 0.033 0.000 1.071 309 L CA 2.070 56.918 54.840 0.013 0.000 0.745 309 L CB -1.195 40.879 42.059 0.024 0.000 0.892 309 L HN 0.994 nan 8.230 nan 0.000 0.431 310 Q N -2.027 117.805 119.800 0.054 0.000 2.170 310 Q HA -0.276 4.064 4.340 -0.000 0.000 0.203 310 Q C 2.202 178.244 176.000 0.069 0.000 0.976 310 Q CA 1.849 57.694 55.803 0.070 0.000 0.858 310 Q CB -0.322 28.454 28.738 0.064 0.000 0.907 310 Q HN 0.688 nan 8.270 nan 0.000 0.433 311 Y N -0.037 120.232 120.300 -0.051 0.000 2.163 311 Y HA -0.224 4.326 4.550 -0.000 0.000 0.288 311 Y C 1.963 177.766 175.900 -0.160 0.000 1.136 311 Y CA 1.531 59.577 58.100 -0.091 0.000 1.147 311 Y CB -0.031 38.364 38.460 -0.108 0.000 0.987 311 Y HN 0.123 nan 8.280 nan 0.000 0.509 312 M N 0.542 120.024 119.600 -0.197 0.000 2.175 312 M HA -0.186 4.293 4.480 -0.000 0.000 0.264 312 M C 1.957 178.081 176.300 -0.293 0.000 1.063 312 M CA 1.578 56.620 55.300 -0.429 0.000 1.119 312 M CB -0.940 31.375 32.600 -0.474 0.000 1.377 312 M HN 0.271 nan 8.290 nan 0.000 0.415 313 K N -0.091 120.281 120.400 -0.047 0.000 2.097 313 K HA -0.158 4.162 4.320 -0.000 0.000 0.206 313 K C 1.742 178.360 176.600 0.031 0.000 1.049 313 K CA 1.444 57.835 56.287 0.173 0.000 0.933 313 K CB -0.230 32.474 32.500 0.340 0.000 0.717 313 K HN 0.334 nan 8.250 nan 0.000 0.442 314 N N 0.209 118.849 118.700 -0.100 0.000 2.188 314 N HA -0.119 4.621 4.740 -0.000 0.000 0.184 314 N C 1.641 176.947 175.510 -0.340 0.000 1.018 314 N CA 0.642 53.586 53.050 -0.176 0.000 0.858 314 N CB 0.029 38.411 38.487 -0.176 0.000 0.989 314 N HN -0.104 nan 8.380 nan 0.000 0.426 315 V N 0.091 119.659 119.914 -0.577 0.000 2.332 315 V HA -0.224 3.896 4.120 -0.000 0.000 0.248 315 V C 1.418 177.167 176.094 -0.575 0.000 1.055 315 V CA 1.557 63.437 62.300 -0.699 0.000 1.038 315 V CB -0.566 30.646 31.823 -1.018 0.000 0.651 315 V HN 0.255 nan 8.190 nan 0.000 0.450 316 F N 0.288 120.152 119.950 -0.143 0.000 2.367 316 F HA 0.029 4.556 4.527 -0.000 0.000 0.298 316 F C 2.270 178.031 175.800 -0.065 0.000 1.094 316 F CA 1.206 59.203 58.000 -0.004 0.000 1.409 316 F CB -0.576 38.564 39.000 0.233 0.000 1.064 316 F HN 0.095 nan 8.300 nan 0.000 0.528 317 K N 0.946 121.251 120.400 -0.158 0.000 2.097 317 K HA -0.189 4.131 4.320 -0.000 0.000 0.206 317 K C 1.730 178.252 176.600 -0.129 0.000 1.049 317 K CA 1.765 57.834 56.287 -0.362 0.000 0.933 317 K CB -0.150 31.988 32.500 -0.604 0.000 0.717 317 K HN 0.282 nan 8.250 nan 0.000 0.442 318 E N 0.579 120.706 120.200 -0.122 0.000 2.072 318 E HA -0.175 4.175 4.350 -0.000 0.000 0.190 318 E C 2.065 178.644 176.600 -0.035 0.000 0.982 318 E CA 0.965 57.323 56.400 -0.071 0.000 0.803 318 E CB 0.033 29.670 29.700 -0.105 0.000 0.755 318 E HN 0.308 nan 8.360 nan 0.000 0.453 319 K N 0.532 120.873 120.400 -0.098 0.000 2.009 319 K HA -0.175 4.144 4.320 -0.000 0.000 0.210 319 K C 1.329 177.847 176.600 -0.137 0.000 1.049 319 K CA 1.444 57.624 56.287 -0.179 0.000 0.929 319 K CB -0.114 32.124 32.500 -0.436 0.000 0.714 319 K HN 0.113 nan 8.250 nan 0.000 0.440 320 Y N 0.917 121.283 120.300 0.111 0.000 2.471 320 Y HA 0.260 4.810 4.550 -0.000 0.000 0.286 320 Y C 0.029 176.051 175.900 0.204 0.000 1.188 320 Y CA 0.031 58.212 58.100 0.134 0.000 1.286 320 Y CB -0.026 38.370 38.460 -0.106 0.000 1.072 320 Y HN 0.033 nan 8.280 nan 0.000 0.517 321 L N 0.293 121.645 121.223 0.215 0.000 3.739 321 L HA -0.292 4.048 4.340 -0.000 0.000 0.442 321 L C -0.530 176.449 176.870 0.180 0.000 1.241 321 L CA 0.122 55.066 54.840 0.173 0.000 0.819 321 L CB -1.877 40.299 42.059 0.194 0.000 1.679 321 L HN 0.236 nan 8.230 nan 0.000 0.889 322 L N -0.678 120.610 121.223 0.108 0.000 2.453 322 L HA 0.330 4.670 4.340 -0.000 0.000 0.261 322 L C 1.064 177.986 176.870 0.087 0.000 1.179 322 L CA 0.107 54.993 54.840 0.077 0.000 0.813 322 L CB 1.312 43.313 42.059 -0.096 0.000 1.110 322 L HN 0.130 nan 8.230 nan 0.000 0.466 323 S N 0.683 116.474 115.700 0.151 0.000 2.541 323 S HA 0.316 4.786 4.470 -0.000 0.000 0.283 323 S C -0.506 174.262 174.600 0.281 0.000 1.196 323 S CA -0.569 57.737 58.200 0.175 0.000 1.062 323 S CB 1.328 64.618 63.200 0.149 0.000 1.009 323 S HN 0.565 nan 8.310 nan 0.000 0.502 324 E N 2.217 122.576 120.200 0.265 0.000 2.246 324 E HA 0.332 4.681 4.350 -0.000 0.000 0.266 324 E C -1.305 175.378 176.600 0.137 0.000 0.880 324 E CA -0.799 55.776 56.400 0.292 0.000 0.762 324 E CB 0.917 30.870 29.700 0.421 0.000 1.180 324 E HN 0.654 nan 8.360 nan 0.000 0.416 325 D N 1.939 122.385 120.400 0.077 0.000 2.478 325 D HA 0.048 4.688 4.640 -0.000 0.000 0.269 325 D C 1.324 177.636 176.300 0.020 0.000 1.232 325 D CA 0.127 54.153 54.000 0.044 0.000 1.059 325 D CB 0.450 41.267 40.800 0.029 0.000 1.104 325 D HN 0.450 nan 8.370 nan 0.000 0.566 326 T N -3.021 111.542 114.554 0.014 0.000 2.833 326 T HA -0.154 4.196 4.350 -0.000 0.000 0.269 326 T C 1.712 176.404 174.700 -0.013 0.000 1.054 326 T CA 1.304 63.407 62.100 0.005 0.000 1.135 326 T CB -0.819 68.053 68.868 0.008 0.000 0.869 326 T HN 0.261 nan 8.240 nan 0.000 0.466 327 S N 0.692 116.378 115.700 -0.023 0.000 2.507 327 S HA 0.318 4.788 4.470 -0.000 0.000 0.235 327 S C 1.821 176.374 174.600 -0.079 0.000 0.988 327 S CA 0.655 58.830 58.200 -0.041 0.000 0.944 327 S CB -0.658 62.520 63.200 -0.038 0.000 0.762 327 S HN 1.095 nan 8.310 nan 0.000 0.526 328 G N 1.550 110.292 108.800 -0.097 0.000 2.141 328 G HA2 -0.281 3.678 3.960 -0.000 0.000 0.242 328 G HA3 -0.281 3.678 3.960 -0.000 0.000 0.242 328 G C -0.002 174.669 174.900 -0.382 0.000 0.982 328 G CA 0.266 45.250 45.100 -0.194 0.000 0.662 328 G HN 0.523 nan 8.290 nan 0.000 0.527 329 K N 0.138 120.391 120.400 -0.245 0.000 2.205 329 K HA 0.621 4.941 4.320 -0.000 0.000 0.279 329 K C -0.191 176.320 176.600 -0.148 0.000 1.027 329 K CA -0.759 55.381 56.287 -0.246 0.000 0.932 329 K CB 0.222 32.665 32.500 -0.095 0.000 1.032 329 K HN -0.071 nan 8.250 nan 0.000 0.466 330 F N 1.449 121.417 119.950 0.030 0.000 2.377 330 F HA 0.354 4.880 4.527 -0.000 0.000 0.328 330 F C 0.711 176.526 175.800 0.025 0.000 1.094 330 F CA -0.481 57.542 58.000 0.037 0.000 1.093 330 F CB 1.644 40.672 39.000 0.047 0.000 1.214 330 F HN 0.623 nan 8.300 nan 0.000 0.518 331 S N -0.106 115.749 115.700 0.259 0.000 2.596 331 S HA 0.742 5.212 4.470 -0.000 0.000 0.270 331 S C -1.662 173.017 174.600 0.131 0.000 1.155 331 S CA -0.980 57.303 58.200 0.138 0.000 0.827 331 S CB 1.319 64.581 63.200 0.103 0.000 1.130 331 S HN 0.305 nan 8.310 nan 0.000 0.467 332 V N 2.349 122.316 119.914 0.089 0.000 2.383 332 V HA 0.397 4.517 4.120 -0.000 0.000 0.275 332 V C -0.074 176.140 176.094 0.201 0.000 1.036 332 V CA -0.476 61.912 62.300 0.147 0.000 0.889 332 V CB 1.194 33.047 31.823 0.050 0.000 0.985 332 V HN 0.946 nan 8.190 nan 0.000 0.459 333 D N 4.584 125.126 120.400 0.237 0.000 2.295 333 D HA 0.119 4.759 4.640 -0.000 0.000 0.248 333 D C 0.944 177.407 176.300 0.272 0.000 1.154 333 D CA -0.416 53.712 54.000 0.212 0.000 0.857 333 D CB 1.318 42.222 40.800 0.174 0.000 1.117 333 D HN 0.322 nan 8.370 nan 0.000 0.468 334 K N 3.196 123.726 120.400 0.217 0.000 2.044 334 K HA -0.168 4.152 4.320 -0.000 0.000 0.210 334 K C 1.965 178.654 176.600 0.149 0.000 1.049 334 K CA 1.316 57.688 56.287 0.140 0.000 0.927 334 K CB -0.388 32.112 32.500 -0.001 0.000 0.713 334 K HN 0.556 nan 8.250 nan 0.000 0.443 335 L N -0.813 120.476 121.223 0.110 0.000 2.217 335 L HA 0.028 4.368 4.340 -0.000 0.000 0.211 335 L C 1.858 178.789 176.870 0.102 0.000 1.107 335 L CA 1.390 56.280 54.840 0.083 0.000 0.783 335 L CB -0.457 41.633 42.059 0.051 0.000 0.919 335 L HN -0.101 nan 8.230 nan 0.000 0.442 336 K N -0.388 120.101 120.400 0.150 0.000 2.062 336 K HA -0.058 4.262 4.320 -0.000 0.000 0.205 336 K C 2.045 178.753 176.600 0.181 0.000 1.051 336 K CA 1.499 57.876 56.287 0.149 0.000 0.941 336 K CB -0.439 32.165 32.500 0.174 0.000 0.719 336 K HN 0.285 nan 8.250 nan 0.000 0.440 337 F N 3.025 123.059 119.950 0.140 0.000 2.102 337 F HA -0.225 4.302 4.527 -0.000 0.000 0.298 337 F C 1.615 177.461 175.800 0.077 0.000 1.105 337 F CA 1.658 59.747 58.000 0.148 0.000 1.239 337 F CB -0.172 38.934 39.000 0.177 0.000 0.991 337 F HN -0.022 nan 8.300 nan 0.000 0.474 338 D N 0.531 120.953 120.400 0.036 0.000 2.123 338 D HA -0.222 4.418 4.640 -0.000 0.000 0.196 338 D C 2.204 178.442 176.300 -0.104 0.000 0.992 338 D CA 1.549 55.510 54.000 -0.065 0.000 0.833 338 D CB -0.421 40.392 40.800 0.022 0.000 0.954 338 D HN 0.373 nan 8.370 nan 0.000 0.455 339 K N 0.173 120.535 120.400 -0.063 0.000 2.002 339 K HA -0.145 4.174 4.320 -0.000 0.000 0.209 339 K C 2.144 178.663 176.600 -0.135 0.000 1.048 339 K CA 0.694 56.935 56.287 -0.077 0.000 0.930 339 K CB -0.261 32.218 32.500 -0.035 0.000 0.714 339 K HN 0.006 nan 8.250 nan 0.000 0.438 340 L N 0.735 121.880 121.223 -0.129 0.000 1.989 340 L HA -0.209 4.131 4.340 -0.000 0.000 0.211 340 L C 2.201 178.909 176.870 -0.270 0.000 1.071 340 L CA 1.856 56.597 54.840 -0.165 0.000 0.749 340 L CB -0.966 41.066 42.059 -0.044 0.000 0.890 340 L HN 0.310 nan 8.230 nan 0.000 0.431 341 Y N 0.414 120.402 120.300 -0.521 0.000 2.165 341 Y HA -0.321 4.229 4.550 -0.000 0.000 0.286 341 Y C 2.759 178.450 175.900 -0.347 0.000 1.155 341 Y CA 2.506 60.289 58.100 -0.529 0.000 1.164 341 Y CB -0.170 37.790 38.460 -0.832 0.000 0.978 341 Y HN 0.318 nan 8.280 nan 0.000 0.513 342 K N -0.096 120.213 120.400 -0.152 0.000 2.057 342 K HA -0.257 4.063 4.320 -0.000 0.000 0.207 342 K C 2.315 178.726 176.600 -0.314 0.000 1.049 342 K CA 1.773 57.957 56.287 -0.171 0.000 0.931 342 K CB -0.330 32.105 32.500 -0.107 0.000 0.714 342 K HN 0.422 nan 8.250 nan 0.000 0.440 343 M N 0.748 120.123 119.600 -0.374 0.000 2.065 343 M HA -0.190 4.290 4.480 -0.000 0.000 0.259 343 M C 1.874 177.650 176.300 -0.872 0.000 1.069 343 M CA 1.681 56.624 55.300 -0.594 0.000 1.110 343 M CB -0.078 32.216 32.600 -0.510 0.000 1.328 343 M HN 0.205 nan 8.290 nan 0.000 0.405 344 L N -0.855 119.992 121.223 -0.625 0.000 2.141 344 L HA -0.167 4.173 4.340 -0.000 0.000 0.209 344 L C 2.467 179.215 176.870 -0.203 0.000 1.094 344 L CA 1.729 56.336 54.840 -0.389 0.000 0.763 344 L CB -0.890 40.981 42.059 -0.314 0.000 0.908 344 L HN 0.544 nan 8.230 nan 0.000 0.437 345 T N -5.240 109.085 114.554 -0.381 0.000 3.034 345 T HA 0.063 4.413 4.350 -0.000 0.000 0.248 345 T C 1.556 176.144 174.700 -0.187 0.000 1.040 345 T CA 0.122 62.032 62.100 -0.317 0.000 1.107 345 T CB 0.260 68.785 68.868 -0.571 0.000 0.932 345 T HN 0.246 nan 8.240 nan 0.000 0.474 346 E N 0.125 120.196 120.200 -0.215 0.000 2.399 346 E HA 0.369 4.719 4.350 -0.000 0.000 0.205 346 E C 1.820 178.322 176.600 -0.163 0.000 0.906 346 E CA 0.000 56.309 56.400 -0.151 0.000 0.998 346 E CB 0.398 30.022 29.700 -0.127 0.000 1.002 346 E HN 0.438 nan 8.360 nan 0.000 0.501 347 I N 0.471 120.886 120.570 -0.258 0.000 2.339 347 I HA -0.096 4.074 4.170 -0.000 0.000 0.245 347 I C 0.197 176.224 176.117 -0.148 0.000 1.096 347 I CA 0.467 61.614 61.300 -0.256 0.000 1.408 347 I CB 0.153 37.925 38.000 -0.380 0.000 1.092 347 I HN 0.008 nan 8.210 nan 0.000 0.423 348 Y N 3.121 123.323 120.300 -0.163 0.000 2.613 348 Y HA 0.259 4.808 4.550 -0.000 0.000 0.354 348 Y C 0.691 176.546 175.900 -0.075 0.000 1.063 348 Y CA -1.111 56.911 58.100 -0.129 0.000 1.384 348 Y CB -0.797 37.616 38.460 -0.079 0.000 1.199 348 Y HN 0.076 nan 8.280 nan 0.000 0.517 349 T N -1.976 112.620 114.554 0.071 0.000 2.883 349 T HA 0.289 4.639 4.350 -0.000 0.000 0.301 349 T C 0.793 175.532 174.700 0.065 0.000 1.158 349 T CA -0.967 61.143 62.100 0.017 0.000 1.007 349 T CB 2.157 70.991 68.868 -0.057 0.000 1.186 349 T HN 0.508 nan 8.240 nan 0.000 0.499 350 E N 0.560 120.743 120.200 -0.029 0.000 2.085 350 E HA -0.251 4.099 4.350 -0.000 0.000 0.194 350 E C 1.335 177.842 176.600 -0.156 0.000 0.994 350 E CA 1.985 58.361 56.400 -0.040 0.000 0.801 350 E CB -0.191 29.430 29.700 -0.131 0.000 0.743 350 E HN 0.796 nan 8.360 nan 0.000 0.453 351 D N 0.143 120.318 120.400 -0.375 0.000 2.106 351 D HA -0.196 4.444 4.640 -0.000 0.000 0.191 351 D C 1.771 177.985 176.300 -0.144 0.000 0.997 351 D CA 1.584 55.388 54.000 -0.327 0.000 0.834 351 D CB -0.173 40.438 40.800 -0.313 0.000 0.956 351 D HN 0.143 nan 8.370 nan 0.000 0.448 352 N N -0.794 117.831 118.700 -0.126 0.000 2.223 352 N HA -0.134 4.606 4.740 -0.000 0.000 0.185 352 N C 1.630 177.053 175.510 -0.146 0.000 1.016 352 N CA 0.538 53.518 53.050 -0.118 0.000 0.863 352 N CB -0.337 38.042 38.487 -0.180 0.000 0.983 352 N HN 0.275 nan 8.380 nan 0.000 0.429 353 F N 0.862 120.737 119.950 -0.124 0.000 2.186 353 F HA -0.056 4.471 4.527 -0.000 0.000 0.299 353 F C 2.351 178.116 175.800 -0.060 0.000 1.090 353 F CA 0.467 58.336 58.000 -0.219 0.000 1.307 353 F CB -0.548 38.332 39.000 -0.201 0.000 1.019 353 F HN -0.197 nan 8.300 nan 0.000 0.489 354 V N 0.235 120.257 119.914 0.180 0.000 2.392 354 V HA -0.310 3.810 4.120 -0.000 0.000 0.249 354 V C 2.050 178.216 176.094 0.120 0.000 1.059 354 V CA 1.920 64.317 62.300 0.163 0.000 1.051 354 V CB -0.644 31.182 31.823 0.005 0.000 0.658 354 V HN 0.323 nan 8.190 nan 0.000 0.455 355 N N -0.419 118.310 118.700 0.049 0.000 2.171 355 N HA -0.066 4.674 4.740 -0.000 0.000 0.184 355 N C 1.635 177.135 175.510 -0.016 0.000 1.021 355 N CA 1.281 54.331 53.050 -0.001 0.000 0.854 355 N CB -0.414 38.041 38.487 -0.054 0.000 0.994 355 N HN 0.432 nan 8.380 nan 0.000 0.426 356 F N 0.075 119.923 119.950 -0.170 0.000 2.146 356 F HA -0.021 4.506 4.527 -0.000 0.000 0.298 356 F C 1.746 177.505 175.800 -0.069 0.000 1.096 356 F CA 0.856 58.729 58.000 -0.211 0.000 1.275 356 F CB -0.342 38.395 39.000 -0.438 0.000 1.008 356 F HN -0.058 nan 8.300 nan 0.000 0.480 357 F N 0.167 120.252 119.950 0.226 0.000 2.407 357 F HA -0.033 4.494 4.527 -0.000 0.000 0.299 357 F C 1.077 176.945 175.800 0.112 0.000 1.097 357 F CA 0.516 58.607 58.000 0.153 0.000 1.422 357 F CB -0.699 38.391 39.000 0.149 0.000 1.067 357 F HN -0.210 nan 8.300 nan 0.000 0.539 358 K N 0.490 121.052 120.400 0.270 0.000 3.244 358 K HA -0.132 4.188 4.320 -0.000 0.000 0.270 358 K C -0.640 176.138 176.600 0.296 0.000 1.016 358 K CA 0.725 57.145 56.287 0.223 0.000 0.754 358 K CB -2.245 30.368 32.500 0.187 0.000 1.326 358 K HN 0.254 nan 8.250 nan 0.000 0.465 359 V N -2.779 117.248 119.914 0.189 0.000 3.001 359 V HA 0.627 4.747 4.120 -0.000 0.000 0.314 359 V C 0.774 176.741 176.094 -0.212 0.000 1.099 359 V CA -1.355 60.995 62.300 0.083 0.000 0.989 359 V CB 2.843 34.756 31.823 0.151 0.000 1.040 359 V HN 0.259 nan 8.190 nan 0.000 0.434 360 I N 2.312 122.611 120.570 -0.452 0.000 2.575 360 I HA 0.520 4.690 4.170 -0.000 0.000 0.285 360 I C -0.136 175.942 176.117 -0.066 0.000 1.085 360 I CA 0.383 61.413 61.300 -0.450 0.000 1.403 360 I CB 1.041 38.636 38.000 -0.676 0.000 1.409 360 I HN 1.059 nan 8.210 nan 0.000 0.557 361 N N 4.018 122.569 118.700 -0.249 0.000 2.823 361 N HA 0.546 5.286 4.740 -0.000 0.000 0.251 361 N C -1.183 173.794 175.510 -0.888 0.000 1.392 361 N CA -0.363 52.303 53.050 -0.640 0.000 0.864 361 N CB 1.686 40.007 38.487 -0.278 0.000 1.481 361 N HN 0.708 nan 8.380 nan 0.000 0.508 362 A N 1.381 123.540 122.820 -1.102 0.000 2.531 362 A HA 0.129 4.449 4.320 -0.000 0.000 0.236 362 A C 0.903 178.395 177.584 -0.152 0.000 1.062 362 A CA 0.276 51.974 52.037 -0.565 0.000 0.760 362 A CB 0.203 18.981 19.000 -0.371 0.000 0.995 362 A HN 0.657 nan 8.150 nan 0.000 0.501 363 K N 0.066 120.412 120.400 -0.091 0.000 2.228 363 K HA 0.011 4.331 4.320 -0.000 0.000 0.202 363 K C 0.812 177.462 176.600 0.085 0.000 1.051 363 K CA 1.515 57.806 56.287 0.007 0.000 0.960 363 K CB -0.124 32.342 32.500 -0.056 0.000 0.743 363 K HN 0.852 nan 8.250 nan 0.000 0.458 364 T N -1.617 112.803 114.554 -0.223 0.000 2.769 364 T HA 0.238 4.587 4.350 -0.000 0.000 0.306 364 T C 0.368 174.513 174.700 -0.925 0.000 1.400 364 T CA -0.713 60.942 62.100 -0.742 0.000 1.007 364 T CB 0.382 68.887 68.868 -0.605 0.000 1.392 364 T HN 0.001 nan 8.240 nan 0.000 0.500 365 F N 2.078 121.407 119.950 -1.034 0.000 2.269 365 F HA 0.145 4.672 4.527 -0.000 0.000 0.301 365 F C 1.689 176.864 175.800 -1.042 0.000 1.082 365 F CA 0.637 58.085 58.000 -0.920 0.000 1.360 365 F CB -0.624 37.954 39.000 -0.703 0.000 1.041 365 F HN 0.363 nan 8.300 nan 0.000 0.512 366 L N 1.643 121.869 121.223 -1.661 0.000 2.127 366 L HA -0.177 4.163 4.340 -0.000 0.000 0.211 366 L C 0.897 177.565 176.870 -0.336 0.000 1.089 366 L CA 1.618 55.917 54.840 -0.902 0.000 0.757 366 L CB -1.614 40.008 42.059 -0.729 0.000 0.899 366 L HN 0.498 nan 8.230 nan 0.000 0.434 367 N N -0.226 118.230 118.700 -0.407 0.000 3.303 367 N HA 0.000 4.740 4.740 -0.000 0.000 0.304 367 N C -0.507 174.943 175.510 -0.100 0.000 1.302 367 N CA -0.414 52.554 53.050 -0.138 0.000 1.213 367 N CB -0.102 38.312 38.487 -0.122 0.000 1.481 367 N HN -0.067 nan 8.380 nan 0.000 0.546 368 F N 1.551 121.478 119.950 -0.038 0.000 2.623 368 F HA -0.067 4.460 4.527 -0.000 0.000 0.383 368 F C 1.275 177.100 175.800 0.042 0.000 1.077 368 F CA -0.374 57.623 58.000 -0.004 0.000 1.268 368 F CB 0.099 39.102 39.000 0.005 0.000 1.053 368 F HN 0.424 nan 8.300 nan 0.000 0.571 369 D N 2.281 122.790 120.400 0.183 0.000 2.364 369 D HA 0.068 4.708 4.640 -0.000 0.000 0.236 369 D C 0.366 176.790 176.300 0.206 0.000 1.221 369 D CA -0.237 53.896 54.000 0.222 0.000 0.891 369 D CB 0.820 41.740 40.800 0.199 0.000 1.190 369 D HN 0.304 nan 8.370 nan 0.000 0.449 370 K N 0.344 120.866 120.400 0.203 0.000 2.325 370 K HA 0.387 4.707 4.320 -0.000 0.000 0.203 370 K C 0.503 177.156 176.600 0.087 0.000 1.128 370 K CA 0.437 56.802 56.287 0.131 0.000 0.931 370 K CB -0.275 32.291 32.500 0.110 0.000 1.125 370 K HN 0.534 nan 8.250 nan 0.000 0.487 371 A N 1.233 124.112 122.820 0.099 0.000 2.346 371 A HA 0.684 5.004 4.320 -0.000 0.000 0.313 371 A C -0.831 176.724 177.584 -0.047 0.000 1.140 371 A CA -0.606 51.384 52.037 -0.079 0.000 0.826 371 A CB 1.562 20.356 19.000 -0.343 0.000 1.332 371 A HN -0.087 nan 8.150 nan 0.000 0.457 372 V N 0.579 120.312 119.914 -0.301 0.000 2.448 372 V HA 0.572 4.692 4.120 -0.000 0.000 0.295 372 V C -1.216 174.599 176.094 -0.464 0.000 1.025 372 V CA -0.152 61.989 62.300 -0.265 0.000 0.859 372 V CB 0.683 32.319 31.823 -0.312 0.000 0.988 372 V HN 0.653 nan 8.190 nan 0.000 0.431 373 F N 2.865 122.755 119.950 -0.099 0.000 2.546 373 F HA 0.765 5.292 4.527 -0.000 0.000 0.320 373 F C 0.177 175.996 175.800 0.031 0.000 1.076 373 F CA -0.898 57.092 58.000 -0.015 0.000 0.928 373 F CB 1.825 40.868 39.000 0.071 0.000 1.189 373 F HN 0.390 nan 8.300 nan 0.000 0.465 374 R N 3.617 124.230 120.500 0.188 0.000 2.349 374 R HA 0.772 5.112 4.340 -0.000 0.000 0.299 374 R C -1.141 175.142 176.300 -0.030 0.000 1.027 374 R CA -0.369 55.717 56.100 -0.024 0.000 0.958 374 R CB 0.329 30.601 30.300 -0.047 0.000 1.047 374 R HN 0.742 nan 8.270 nan 0.000 0.468 375 I N -0.472 119.999 120.570 -0.164 0.000 3.354 375 I HA 0.648 4.818 4.170 -0.000 0.000 0.316 375 I C -1.273 174.742 176.117 -0.169 0.000 1.182 375 I CA -1.250 59.977 61.300 -0.121 0.000 0.942 375 I CB 2.648 40.660 38.000 0.019 0.000 1.299 375 I HN 0.524 nan 8.210 nan 0.000 0.473 376 N N 1.821 120.445 118.700 -0.127 0.000 2.664 376 N HA 0.370 5.110 4.740 -0.000 0.000 0.268 376 N C -0.213 175.216 175.510 -0.134 0.000 1.222 376 N CA -0.607 52.363 53.050 -0.133 0.000 0.805 376 N CB 1.408 39.836 38.487 -0.099 0.000 1.399 376 N HN 0.852 nan 8.380 nan 0.000 0.547 377 I N 0.017 120.439 120.570 -0.247 0.000 3.428 377 I HA 0.080 4.250 4.170 -0.000 0.000 0.286 377 I C 0.879 176.882 176.117 -0.190 0.000 1.287 377 I CA 0.044 61.111 61.300 -0.389 0.000 1.396 377 I CB 0.131 37.562 38.000 -0.949 0.000 1.062 377 I HN 0.048 nan 8.210 nan 0.000 0.471 378 V N 1.713 121.553 119.914 -0.124 0.000 2.295 378 V HA -0.055 4.065 4.120 -0.000 0.000 0.246 378 V C -1.164 174.920 176.094 -0.017 0.000 1.049 378 V CA 1.306 63.571 62.300 -0.058 0.000 1.024 378 V CB -1.846 29.950 31.823 -0.046 0.000 0.648 378 V HN 0.409 nan 8.190 nan 0.000 0.447 379 P HA 0.097 nan 4.420 nan 0.000 0.271 379 P C 0.101 177.415 177.300 0.024 0.000 1.220 379 P CA 0.175 63.277 63.100 0.004 0.000 0.768 379 P CB 0.352 32.051 31.700 -0.002 0.000 0.848 380 D N 2.189 122.604 120.400 0.024 0.000 2.263 380 D HA -0.131 4.509 4.640 -0.000 0.000 0.208 380 D C 1.149 177.465 176.300 0.027 0.000 0.971 380 D CA 1.267 55.285 54.000 0.029 0.000 0.867 380 D CB -0.043 40.769 40.800 0.020 0.000 0.929 380 D HN 0.445 nan 8.370 nan 0.000 0.492 381 E N 0.323 120.537 120.200 0.023 0.000 2.338 381 E HA -0.072 4.278 4.350 -0.000 0.000 0.197 381 E C 1.351 177.973 176.600 0.037 0.000 1.007 381 E CA 0.604 57.017 56.400 0.022 0.000 0.849 381 E CB -0.039 29.669 29.700 0.013 0.000 0.774 381 E HN 0.222 nan 8.360 nan 0.000 0.506 382 N N -1.221 117.511 118.700 0.053 0.000 2.482 382 N HA 0.065 4.805 4.740 -0.000 0.000 0.179 382 N C -0.726 174.887 175.510 0.172 0.000 1.039 382 N CA 0.372 53.481 53.050 0.098 0.000 0.884 382 N CB 0.562 39.091 38.487 0.071 0.000 1.113 382 N HN 0.120 nan 8.380 nan 0.000 0.440 383 Y N 0.000 120.247 120.300 -0.089 0.000 2.474 383 Y HA 0.370 4.920 4.550 -0.000 0.000 0.326 383 Y C -1.308 174.507 175.900 -0.143 0.000 1.160 383 Y CA -1.047 56.932 58.100 -0.201 0.000 1.056 383 Y CB 1.012 39.219 38.460 -0.420 0.000 1.330 383 Y HN -0.042 nan 8.280 nan 0.000 0.447 384 T N 2.769 117.153 114.554 -0.285 0.000 2.916 384 T HA 0.460 4.810 4.350 -0.000 0.000 0.292 384 T C 0.992 175.559 174.700 -0.221 0.000 1.055 384 T CA -0.730 61.287 62.100 -0.138 0.000 1.009 384 T CB 1.500 70.310 68.868 -0.095 0.000 1.118 384 T HN 0.657 nan 8.240 nan 0.000 0.497 385 I N 0.400 120.944 120.570 -0.043 0.000 2.145 385 I HA -0.216 3.954 4.170 -0.000 0.000 0.244 385 I C 2.376 178.465 176.117 -0.046 0.000 1.075 385 I CA 1.515 62.813 61.300 -0.003 0.000 1.332 385 I CB -0.257 37.779 38.000 0.060 0.000 1.033 385 I HN 0.573 nan 8.210 nan 0.000 0.410 386 K N 0.286 120.661 120.400 -0.042 0.000 2.103 386 K HA -0.083 4.236 4.320 -0.000 0.000 0.204 386 K C 1.123 177.689 176.600 -0.057 0.000 1.052 386 K CA 1.174 57.452 56.287 -0.016 0.000 0.945 386 K CB -0.104 32.397 32.500 0.001 0.000 0.722 386 K HN 0.323 nan 8.250 nan 0.000 0.443 387 D N -1.318 118.991 120.400 -0.152 0.000 2.469 387 D HA 0.187 4.827 4.640 -0.000 0.000 0.213 387 D C 0.963 177.072 176.300 -0.318 0.000 1.135 387 D CA 0.665 54.571 54.000 -0.156 0.000 0.834 387 D CB 0.763 41.507 40.800 -0.092 0.000 1.009 387 D HN 0.174 nan 8.370 nan 0.000 0.507 388 G N 1.739 110.109 108.800 -0.717 0.000 2.583 388 G HA2 -0.378 3.582 3.960 -0.000 0.000 0.292 388 G HA3 -0.378 3.582 3.960 -0.000 0.000 0.292 388 G C 0.595 174.913 174.900 -0.971 0.000 1.203 388 G CA 0.191 44.457 45.100 -1.391 0.000 0.987 388 G HN 0.200 nan 8.290 nan 0.000 0.554 389 F N 2.070 121.883 119.950 -0.229 0.000 2.615 389 F HA 0.216 4.743 4.527 -0.000 0.000 0.297 389 F C 1.839 177.655 175.800 0.028 0.000 1.124 389 F CA 0.824 58.852 58.000 0.046 0.000 1.451 389 F CB 0.059 39.208 39.000 0.248 0.000 1.103 389 F HN 0.139 nan 8.300 nan 0.000 0.569 390 N N 2.062 120.859 118.700 0.162 0.000 3.298 390 N HA 0.141 4.881 4.740 -0.000 0.000 0.292 390 N C -0.331 175.199 175.510 0.033 0.000 1.271 390 N CA 0.074 53.195 53.050 0.118 0.000 1.184 390 N CB -0.091 38.478 38.487 0.136 0.000 1.452 390 N HN 0.177 nan 8.380 nan 0.000 0.534 391 L N 0.878 122.118 121.223 0.030 0.000 2.525 391 L HA -0.036 4.304 4.340 -0.000 0.000 0.278 391 L C 1.787 178.657 176.870 -0.001 0.000 1.218 391 L CA 0.129 54.969 54.840 0.001 0.000 0.878 391 L CB 0.589 42.656 42.059 0.013 0.000 1.127 391 L HN 0.190 nan 8.230 nan 0.000 0.492 392 K N 2.962 123.355 120.400 -0.011 0.000 1.969 392 K HA -0.185 4.135 4.320 -0.000 0.000 0.223 392 K C 1.897 178.492 176.600 -0.008 0.000 1.048 392 K CA 1.727 58.007 56.287 -0.011 0.000 0.983 392 K CB -0.572 31.921 32.500 -0.012 0.000 0.738 392 K HN 0.934 nan 8.250 nan 0.000 0.446 393 G N 1.397 110.194 108.800 -0.005 0.000 2.440 393 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.218 393 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.218 393 G C 0.685 175.584 174.900 -0.001 0.000 1.154 393 G CA 0.853 45.950 45.100 -0.004 0.000 0.767 393 G HN 0.526 nan 8.290 nan 0.000 0.552 394 A N 0.709 123.531 122.820 0.003 0.000 2.552 394 A HA 0.202 4.522 4.320 -0.000 0.000 0.241 394 A C 1.270 178.857 177.584 0.006 0.000 1.103 394 A CA 0.906 52.948 52.037 0.009 0.000 0.789 394 A CB -0.080 18.931 19.000 0.019 0.000 1.050 394 A HN 0.631 nan 8.150 nan 0.000 0.515 395 N N -0.613 118.093 118.700 0.009 0.000 2.322 395 N HA 0.119 4.859 4.740 -0.000 0.000 0.194 395 N C 0.565 176.084 175.510 0.014 0.000 1.126 395 N CA 0.336 53.390 53.050 0.006 0.000 0.845 395 N CB -0.205 38.286 38.487 0.006 0.000 0.976 395 N HN 0.538 nan 8.380 nan 0.000 0.475 396 L N -0.038 121.202 121.223 0.027 0.000 2.558 396 L HA 0.110 4.450 4.340 -0.000 0.000 0.225 396 L C 1.651 178.547 176.870 0.043 0.000 1.128 396 L CA 0.266 55.138 54.840 0.053 0.000 0.868 396 L CB -0.191 41.917 42.059 0.081 0.000 1.006 396 L HN 0.378 nan 8.230 nan 0.000 0.454 397 S N -2.186 113.518 115.700 0.008 0.000 2.671 397 S HA 0.072 4.542 4.470 -0.000 0.000 0.220 397 S C 0.652 175.203 174.600 -0.081 0.000 0.951 397 S CA -0.344 57.842 58.200 -0.023 0.000 0.932 397 S CB -0.355 62.831 63.200 -0.024 0.000 0.777 397 S HN 0.163 nan 8.310 nan 0.000 0.508 398 T N 3.352 117.861 114.554 -0.076 0.000 2.829 398 T HA 0.421 4.771 4.350 -0.000 0.000 0.280 398 T C -0.125 174.486 174.700 -0.149 0.000 0.999 398 T CA -0.708 61.318 62.100 -0.124 0.000 0.983 398 T CB 1.038 69.866 68.868 -0.067 0.000 0.968 398 T HN 0.289 nan 8.240 nan 0.000 0.446 399 N N 1.827 120.356 118.700 -0.285 0.000 2.696 399 N HA -0.203 4.537 4.740 -0.000 0.000 0.249 399 N C -0.301 175.166 175.510 -0.072 0.000 1.090 399 N CA 0.687 53.591 53.050 -0.243 0.000 0.716 399 N CB -1.285 37.197 38.487 -0.008 0.000 1.020 399 N HN 0.825 nan 8.380 nan 0.000 0.548 400 F N -2.170 117.826 119.950 0.076 0.000 3.074 400 F HA -0.268 4.259 4.527 -0.000 0.000 0.287 400 F C 1.277 177.198 175.800 0.201 0.000 0.932 400 F CA 0.332 58.400 58.000 0.113 0.000 0.995 400 F CB -2.178 36.842 39.000 0.032 0.000 0.966 400 F HN 0.177 nan 8.300 nan 0.000 0.721 401 N N 0.759 119.589 118.700 0.217 0.000 2.223 401 N HA -0.104 4.635 4.740 -0.000 0.000 0.185 401 N C 2.206 177.825 175.510 0.182 0.000 1.016 401 N CA 1.339 54.495 53.050 0.177 0.000 0.863 401 N CB -0.448 38.092 38.487 0.087 0.000 0.983 401 N HN 0.622 nan 8.380 nan 0.000 0.429 402 G N 0.510 109.438 108.800 0.213 0.000 2.462 402 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.220 402 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.220 402 G C 1.350 176.426 174.900 0.293 0.000 1.121 402 G CA 0.481 45.735 45.100 0.256 0.000 0.758 402 G HN 0.399 nan 8.290 nan 0.000 0.559 403 Q N -0.363 119.616 119.800 0.299 0.000 2.319 403 Q HA 0.097 4.437 4.340 -0.000 0.000 0.202 403 Q C 0.399 176.361 176.000 -0.064 0.000 0.896 403 Q CA -0.470 55.431 55.803 0.165 0.000 0.942 403 Q CB 0.307 29.227 28.738 0.305 0.000 1.083 403 Q HN 0.262 nan 8.270 nan 0.000 0.510 404 N N 1.553 120.246 118.700 -0.011 0.000 2.405 404 N HA -0.030 4.710 4.740 -0.000 0.000 0.260 404 N C 0.608 175.874 175.510 -0.406 0.000 1.152 404 N CA 0.351 53.165 53.050 -0.392 0.000 0.948 404 N CB 1.210 39.554 38.487 -0.239 0.000 1.111 404 N HN 0.126 nan 8.380 nan 0.000 0.485 405 T N 0.256 114.398 114.554 -0.688 0.000 3.227 405 T HA 0.052 4.402 4.350 -0.000 0.000 0.257 405 T C 0.839 175.394 174.700 -0.243 0.000 1.162 405 T CA 0.671 62.416 62.100 -0.592 0.000 1.051 405 T CB 0.163 68.431 68.868 -1.000 0.000 0.953 405 T HN 0.441 nan 8.240 nan 0.000 0.535 406 E N 0.877 120.935 120.200 -0.237 0.000 2.134 406 E HA 0.254 4.604 4.350 -0.000 0.000 0.194 406 E C 2.209 178.761 176.600 -0.080 0.000 0.937 406 E CA 0.311 56.628 56.400 -0.138 0.000 0.874 406 E CB -0.083 29.516 29.700 -0.168 0.000 0.853 406 E HN 0.484 nan 8.360 nan 0.000 0.471 407 I N 1.745 122.262 120.570 -0.088 0.000 2.202 407 I HA -0.196 3.974 4.170 -0.000 0.000 0.242 407 I C 1.491 177.605 176.117 -0.005 0.000 1.091 407 I CA 0.949 62.227 61.300 -0.037 0.000 1.368 407 I CB -0.153 37.833 38.000 -0.025 0.000 1.058 407 I HN -0.039 nan 8.210 nan 0.000 0.410 408 N N 0.603 119.314 118.700 0.019 0.000 2.575 408 N HA -0.010 4.730 4.740 -0.000 0.000 0.275 408 N C 1.451 176.999 175.510 0.062 0.000 1.202 408 N CA 0.208 53.288 53.050 0.050 0.000 0.945 408 N CB -0.117 38.438 38.487 0.113 0.000 1.247 408 N HN 0.196 nan 8.380 nan 0.000 0.510 409 S N 0.073 115.795 115.700 0.037 0.000 2.423 409 S HA -0.285 4.185 4.470 -0.000 0.000 0.238 409 S C 1.759 176.367 174.600 0.014 0.000 1.028 409 S CA 0.965 59.192 58.200 0.045 0.000 1.000 409 S CB -0.363 62.849 63.200 0.019 0.000 0.797 409 S HN 0.675 nan 8.310 nan 0.000 0.487 410 R N 1.192 121.673 120.500 -0.032 0.000 2.235 410 R HA 0.171 4.510 4.340 -0.000 0.000 0.213 410 R C 1.342 177.552 176.300 -0.149 0.000 1.059 410 R CA 1.100 57.163 56.100 -0.062 0.000 0.997 410 R CB -0.546 29.727 30.300 -0.045 0.000 0.884 410 R HN 0.355 nan 8.270 nan 0.000 0.462 411 N N -0.177 118.330 118.700 -0.321 0.000 2.299 411 N HA 0.109 4.849 4.740 -0.000 0.000 0.187 411 N C -0.987 173.950 175.510 -0.955 0.000 1.099 411 N CA 0.330 52.991 53.050 -0.648 0.000 0.867 411 N CB 0.486 38.439 38.487 -0.890 0.000 0.974 411 N HN 0.053 nan 8.380 nan 0.000 0.477 412 F N -0.050 119.821 119.950 -0.132 0.000 2.539 412 F HA 0.339 4.866 4.527 -0.000 0.000 0.318 412 F C -0.042 175.817 175.800 0.098 0.000 1.135 412 F CA -0.731 57.215 58.000 -0.090 0.000 0.915 412 F CB 1.948 40.703 39.000 -0.409 0.000 1.176 412 F HN -0.394 nan 8.300 nan 0.000 0.440 413 T N 2.737 117.497 114.554 0.343 0.000 2.864 413 T HA 0.339 4.689 4.350 -0.000 0.000 0.310 413 T C -0.137 174.665 174.700 0.171 0.000 1.040 413 T CA -0.664 61.564 62.100 0.213 0.000 0.977 413 T CB 0.716 69.634 68.868 0.084 0.000 0.976 413 T HN 0.464 nan 8.240 nan 0.000 0.459 414 R N 2.871 123.417 120.500 0.078 0.000 2.585 414 R HA 0.200 4.540 4.340 -0.000 0.000 0.275 414 R C 0.558 176.714 176.300 -0.239 0.000 1.018 414 R CA 0.402 56.314 56.100 -0.314 0.000 1.072 414 R CB 0.112 30.263 30.300 -0.248 0.000 0.953 414 R HN 0.666 nan 8.270 nan 0.000 0.419 415 L N 1.781 122.790 121.223 -0.357 0.000 2.663 415 L HA 0.338 4.678 4.340 -0.000 0.000 0.218 415 L C 0.593 177.321 176.870 -0.237 0.000 1.043 415 L CA 0.085 54.748 54.840 -0.294 0.000 0.876 415 L CB 0.134 41.879 42.059 -0.523 0.000 1.263 415 L HN 0.433 nan 8.230 nan 0.000 0.486 416 K N 0.310 120.541 120.400 -0.281 0.000 2.509 416 K HA 0.369 4.689 4.320 -0.000 0.000 0.266 416 K C -1.132 175.376 176.600 -0.154 0.000 0.987 416 K CA -0.616 55.582 56.287 -0.148 0.000 0.868 416 K CB 2.295 34.744 32.500 -0.085 0.000 1.421 416 K HN 0.024 nan 8.250 nan 0.000 0.444 417 N N 0.000 118.654 118.700 -0.076 0.000 1.763 417 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 417 N CA 0.000 53.015 53.050 -0.058 0.000 0.885 417 N CB 0.000 38.464 38.487 -0.039 0.000 1.341 417 N HN 0.000 nan 8.380 nan 0.000 0.667