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 1xea_1_A DATA FIRST_RESID 2 DATA SEQUENCE SLKIAXIGLG DIAQKAYLPV LAQWPDIELV LCTRNPKVLG TLATRYRVSA DATA SEQUENCE TCTDYRDVLQ YGVDAVXIHA ATDVHSTLAA FFLHLGIPTF VDKPLAASAQ DATA SEQUENCE ECENLYELAE KHHQPLYVGF NRRHIPLYNQ HLSELAQQEC GALRSLRWEK DATA SEQUENCE HRHALPGDIR TFVFDDFIHP LDSVNLSRQC NLDDLHLTYH XSEGLLARLD DATA SEQUENCE VQWQTGDTLL HASXNRQFGI TTEHVTASYD NVAYLFDSFT QGKXWRDNQE DATA SEQUENCE SRVALKDWTP XLASKGFDAX VQDWLQVAAA GKLPTHIIER NLASHQLAEA DATA SEQUENCE ICQQITQQVT K 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.581 174.600 -0.031 0.000 1.055 2 S CA 0.000 58.200 58.200 0.001 0.000 1.107 2 S CB 0.000 63.203 63.200 0.005 0.000 0.593 3 L N 3.438 124.633 121.223 -0.047 0.000 2.371 3 L HA 0.669 5.009 4.340 -0.000 0.000 0.262 3 L C -0.463 176.369 176.870 -0.063 0.000 1.006 3 L CA -0.901 53.888 54.840 -0.084 0.000 0.818 3 L CB 2.311 44.269 42.059 -0.170 0.000 1.354 3 L HN 0.549 nan 8.230 nan 0.000 0.415 4 K N 2.151 122.517 120.400 -0.057 0.000 2.449 4 K HA 0.572 4.892 4.320 -0.000 0.000 0.257 4 K C -1.432 175.141 176.600 -0.046 0.000 0.989 4 K CA -0.564 55.703 56.287 -0.033 0.000 0.916 4 K CB 0.978 33.478 32.500 0.001 0.000 1.136 4 K HN 0.366 nan 8.250 nan 0.000 0.439 5 I N 3.093 123.630 120.570 -0.055 0.000 2.437 5 I HA 0.412 4.581 4.170 -0.000 0.000 0.298 5 I C 0.175 176.267 176.117 -0.041 0.000 0.984 5 I CA -0.221 61.052 61.300 -0.044 0.000 1.214 5 I CB 1.770 39.744 38.000 -0.044 0.000 1.365 5 I HN 0.699 nan 8.210 nan 0.000 0.469 9 G N 5.755 114.604 108.800 0.081 0.000 2.858 9 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.266 9 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.266 9 G C -0.703 174.274 174.900 0.127 0.000 1.023 9 G CA -0.785 44.372 45.100 0.095 0.000 1.172 9 G HN 0.629 nan 8.290 nan 0.000 0.523 10 L N 2.692 123.967 121.223 0.087 0.000 2.449 10 L HA 0.503 4.843 4.340 -0.000 0.000 0.255 10 L C 1.488 178.393 176.870 0.058 0.000 1.167 10 L CA 0.002 54.881 54.840 0.064 0.000 1.090 10 L CB 0.047 42.132 42.059 0.045 0.000 1.385 10 L HN 0.591 nan 8.230 nan 0.000 0.411 11 G N -0.022 108.821 108.800 0.072 0.000 2.574 11 G HA2 0.014 3.973 3.960 -0.000 0.000 0.248 11 G HA3 0.014 3.973 3.960 -0.000 0.000 0.248 11 G C 0.445 175.378 174.900 0.055 0.000 1.422 11 G CA -0.113 45.026 45.100 0.066 0.000 1.051 11 G HN 0.417 nan 8.290 nan 0.000 0.560 12 D N -0.667 119.768 120.400 0.058 0.000 2.078 12 D HA -0.126 4.514 4.640 -0.000 0.000 0.193 12 D C 2.513 178.837 176.300 0.041 0.000 0.990 12 D CA 1.140 55.168 54.000 0.047 0.000 0.827 12 D CB -0.273 40.558 40.800 0.052 0.000 0.975 12 D HN 0.284 nan 8.370 nan 0.000 0.451 13 I N 0.533 121.151 120.570 0.081 0.000 2.335 13 I HA -0.254 3.916 4.170 -0.000 0.000 0.251 13 I C 2.488 178.659 176.117 0.089 0.000 1.129 13 I CA 1.068 62.428 61.300 0.101 0.000 1.402 13 I CB -0.366 37.776 38.000 0.237 0.000 1.069 13 I HN 0.038 nan 8.210 nan 0.000 0.424 14 A N 0.392 123.250 122.820 0.064 0.000 1.873 14 A HA -0.211 4.109 4.320 -0.000 0.000 0.215 14 A C 2.291 179.832 177.584 -0.071 0.000 1.186 14 A CA 1.342 53.346 52.037 -0.056 0.000 0.616 14 A CB -0.548 18.375 19.000 -0.128 0.000 0.823 14 A HN 0.441 nan 8.150 nan 0.000 0.442 15 Q N -0.569 119.210 119.800 -0.035 0.000 2.167 15 Q HA -0.092 4.248 4.340 -0.000 0.000 0.202 15 Q C 1.948 177.923 176.000 -0.042 0.000 0.970 15 Q CA 1.359 57.148 55.803 -0.023 0.000 0.855 15 Q CB -0.087 28.668 28.738 0.028 0.000 0.911 15 Q HN 0.593 nan 8.270 nan 0.000 0.438 16 K N -0.720 119.636 120.400 -0.075 0.000 2.186 16 K HA 0.032 4.352 4.320 -0.000 0.000 0.202 16 K C 1.458 177.905 176.600 -0.255 0.000 1.052 16 K CA 0.988 57.200 56.287 -0.125 0.000 0.965 16 K CB 0.299 32.729 32.500 -0.117 0.000 0.746 16 K HN 0.094 nan 8.250 nan 0.000 0.457 17 A N -0.424 122.176 122.820 -0.366 0.000 2.008 17 A HA 0.135 4.455 4.320 -0.000 0.000 0.201 17 A C 1.646 178.972 177.584 -0.430 0.000 1.794 17 A CA -0.225 51.433 52.037 -0.632 0.000 0.952 17 A CB -0.694 17.486 19.000 -1.367 0.000 1.147 17 A HN 0.086 nan 8.150 nan 0.000 0.589 18 Y N 0.570 120.734 120.300 -0.227 0.000 2.030 18 Y HA -0.247 4.303 4.550 -0.000 0.000 0.274 18 Y C 2.398 178.162 175.900 -0.226 0.000 1.153 18 Y CA 1.879 59.861 58.100 -0.198 0.000 1.115 18 Y CB -0.476 37.767 38.460 -0.363 0.000 0.969 18 Y HN 0.263 nan 8.280 nan 0.000 0.488 19 L N 0.338 121.485 121.223 -0.126 0.000 1.997 19 L HA -0.216 4.124 4.340 -0.000 0.000 0.216 19 L C -0.419 176.229 176.870 -0.371 0.000 1.074 19 L CA 1.793 56.450 54.840 -0.304 0.000 0.763 19 L CB -1.524 40.278 42.059 -0.429 0.000 0.890 19 L HN 0.202 nan 8.230 nan 0.000 0.434 20 P HA -0.138 nan 4.420 nan 0.000 0.218 20 P C 1.780 179.062 177.300 -0.029 0.000 1.148 20 P CA 1.416 64.448 63.100 -0.114 0.000 0.822 20 P CB 0.041 31.725 31.700 -0.026 0.000 0.784 21 V N -0.572 119.327 119.914 -0.025 0.000 2.407 21 V HA -0.160 3.960 4.120 -0.000 0.000 0.245 21 V C 2.672 178.874 176.094 0.181 0.000 1.041 21 V CA 1.324 63.676 62.300 0.088 0.000 1.040 21 V CB -1.080 30.805 31.823 0.103 0.000 0.671 21 V HN -0.027 nan 8.190 nan 0.000 0.455 22 L N 0.543 121.819 121.223 0.089 0.000 2.072 22 L HA 0.035 4.375 4.340 -0.000 0.000 0.205 22 L C 2.527 179.459 176.870 0.103 0.000 1.079 22 L CA 2.070 56.967 54.840 0.096 0.000 0.752 22 L CB -1.113 40.942 42.059 -0.007 0.000 0.906 22 L HN 0.272 nan 8.230 nan 0.000 0.436 23 A N -1.286 121.538 122.820 0.007 0.000 2.234 23 A HA -0.215 4.104 4.320 -0.000 0.000 0.216 23 A C 2.176 179.827 177.584 0.112 0.000 1.167 23 A CA 1.610 53.671 52.037 0.040 0.000 0.698 23 A CB -0.445 18.547 19.000 -0.014 0.000 0.779 23 A HN 0.553 nan 8.150 nan 0.000 0.475 24 Q N -2.214 117.662 119.800 0.126 0.000 2.316 24 Q HA 0.002 4.342 4.340 -0.000 0.000 0.235 24 Q C -0.245 175.814 176.000 0.097 0.000 0.863 24 Q CA -0.478 55.385 55.803 0.100 0.000 0.939 24 Q CB 0.114 28.897 28.738 0.076 0.000 1.108 24 Q HN 0.634 nan 8.270 nan 0.000 0.522 25 W N 4.456 125.752 121.300 -0.006 0.000 2.223 25 W HA 0.154 4.814 4.660 -0.000 0.000 0.334 25 W C -1.816 174.694 176.519 -0.016 0.000 1.334 25 W CA -0.858 56.479 57.345 -0.014 0.000 1.246 25 W CB 0.556 30.002 29.460 -0.023 0.000 1.184 25 W HN 0.104 nan 8.180 nan 0.000 0.563 26 P HA 0.062 nan 4.420 nan 0.000 0.279 26 P C -0.940 176.476 177.300 0.193 0.000 1.239 26 P CA 0.200 63.331 63.100 0.052 0.000 0.789 26 P CB 1.074 32.707 31.700 -0.111 0.000 0.933 27 D N 0.296 120.765 120.400 0.116 0.000 2.716 27 D HA -0.147 4.493 4.640 -0.000 0.000 0.239 27 D C -0.541 175.823 176.300 0.106 0.000 1.125 27 D CA 0.889 54.950 54.000 0.101 0.000 0.681 27 D CB -1.675 39.183 40.800 0.096 0.000 1.070 27 D HN 0.407 nan 8.370 nan 0.000 0.432 28 I N 0.481 121.112 120.570 0.102 0.000 2.571 28 I HA 0.182 4.352 4.170 -0.000 0.000 0.286 28 I C -0.097 176.042 176.117 0.036 0.000 1.134 28 I CA -0.750 60.583 61.300 0.054 0.000 1.052 28 I CB 1.991 40.030 38.000 0.065 0.000 1.237 28 I HN -0.033 nan 8.210 nan 0.000 0.435 29 E N 6.842 127.048 120.200 0.010 0.000 2.197 29 E HA 0.556 4.906 4.350 -0.000 0.000 0.281 29 E C -1.441 175.150 176.600 -0.015 0.000 0.995 29 E CA -0.507 55.897 56.400 0.007 0.000 0.808 29 E CB 1.458 31.164 29.700 0.010 0.000 1.093 29 E HN 0.500 nan 8.360 nan 0.000 0.394 30 L N 3.875 125.087 121.223 -0.019 0.000 2.344 30 L HA 0.485 4.825 4.340 -0.000 0.000 0.272 30 L C -0.922 175.899 176.870 -0.082 0.000 1.035 30 L CA -1.002 53.813 54.840 -0.042 0.000 0.807 30 L CB 1.851 43.891 42.059 -0.031 0.000 1.237 30 L HN 0.436 nan 8.230 nan 0.000 0.442 31 V N 4.151 124.001 119.914 -0.107 0.000 2.443 31 V HA 0.277 4.397 4.120 -0.000 0.000 0.272 31 V C 0.044 176.061 176.094 -0.128 0.000 1.002 31 V CA -0.502 61.681 62.300 -0.194 0.000 0.840 31 V CB 1.273 32.934 31.823 -0.269 0.000 1.042 31 V HN 0.515 nan 8.190 nan 0.000 0.446 32 L N 3.314 124.480 121.223 -0.096 0.000 2.426 32 L HA 0.476 4.816 4.340 -0.000 0.000 0.271 32 L C 0.131 176.987 176.870 -0.023 0.000 1.169 32 L CA 0.173 54.989 54.840 -0.040 0.000 0.836 32 L CB 0.971 43.023 42.059 -0.011 0.000 1.112 32 L HN 0.737 nan 8.230 nan 0.000 0.465 33 C N 2.537 121.848 119.300 0.018 0.000 2.752 33 C HA 0.723 5.183 4.460 -0.000 0.000 0.360 33 C C -0.379 174.653 174.990 0.071 0.000 1.081 33 C CA -0.125 58.925 59.018 0.053 0.000 1.272 33 C CB 1.327 29.118 27.740 0.085 0.000 1.754 33 C HN 0.944 nan 8.230 nan 0.000 0.483 34 T N 4.225 118.823 114.554 0.073 0.000 2.827 34 T HA 0.381 4.731 4.350 -0.000 0.000 0.328 34 T C 0.708 175.448 174.700 0.066 0.000 1.598 34 T CA -0.530 61.614 62.100 0.072 0.000 1.043 34 T CB 1.249 70.154 68.868 0.061 0.000 1.447 34 T HN 0.748 nan 8.240 nan 0.000 0.491 35 R N 1.594 122.132 120.500 0.064 0.000 2.113 35 R HA -0.023 4.317 4.340 -0.000 0.000 0.231 35 R C 0.984 177.308 176.300 0.040 0.000 1.129 35 R CA 1.110 57.241 56.100 0.052 0.000 0.915 35 R CB -1.153 29.174 30.300 0.045 0.000 0.837 35 R HN 0.656 nan 8.270 nan 0.000 0.430 36 N N 2.257 120.979 118.700 0.037 0.000 2.414 36 N HA -0.048 4.692 4.740 -0.000 0.000 0.268 36 N C -1.651 173.879 175.510 0.034 0.000 1.286 36 N CA -0.828 52.241 53.050 0.032 0.000 0.896 36 N CB 1.046 39.551 38.487 0.031 0.000 1.093 36 N HN 0.058 nan 8.380 nan 0.000 0.480 37 P HA -0.113 nan 4.420 nan 0.000 0.222 37 P C 1.100 178.418 177.300 0.029 0.000 1.153 37 P CA 0.896 64.014 63.100 0.030 0.000 0.798 37 P CB 0.503 32.219 31.700 0.026 0.000 0.796 38 K N 0.693 121.109 120.400 0.027 0.000 1.973 38 K HA -0.088 4.232 4.320 -0.000 0.000 0.212 38 K C 2.005 178.623 176.600 0.030 0.000 1.047 38 K CA 1.671 57.973 56.287 0.025 0.000 0.937 38 K CB -0.734 31.779 32.500 0.022 0.000 0.721 38 K HN -0.152 nan 8.250 nan 0.000 0.440 39 V N 2.182 122.116 119.914 0.033 0.000 2.332 39 V HA -0.271 3.849 4.120 -0.000 0.000 0.248 39 V C 2.472 178.595 176.094 0.047 0.000 1.055 39 V CA 1.769 64.093 62.300 0.040 0.000 1.038 39 V CB -0.649 31.199 31.823 0.041 0.000 0.651 39 V HN 0.437 nan 8.190 nan 0.000 0.450 40 L N 1.650 122.899 121.223 0.044 0.000 1.997 40 L HA -0.148 4.192 4.340 -0.000 0.000 0.216 40 L C 2.288 179.187 176.870 0.047 0.000 1.074 40 L CA 2.756 57.624 54.840 0.046 0.000 0.763 40 L CB -1.427 40.657 42.059 0.042 0.000 0.890 40 L HN 0.270 nan 8.230 nan 0.000 0.434 41 G N -2.437 106.387 108.800 0.040 0.000 2.403 41 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.216 41 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.216 41 G C 1.397 176.319 174.900 0.038 0.000 1.154 41 G CA 0.952 46.074 45.100 0.037 0.000 0.784 41 G HN 0.465 nan 8.290 nan 0.000 0.538 42 T N 1.568 116.144 114.554 0.038 0.000 2.652 42 T HA -0.075 4.274 4.350 -0.000 0.000 0.267 42 T C 2.420 177.149 174.700 0.048 0.000 1.039 42 T CA 1.041 63.160 62.100 0.032 0.000 1.153 42 T CB -0.263 68.624 68.868 0.031 0.000 0.863 42 T HN 0.138 nan 8.240 nan 0.000 0.428 43 L N 0.749 122.025 121.223 0.088 0.000 2.017 43 L HA -0.088 4.252 4.340 -0.000 0.000 0.208 43 L C 3.086 180.074 176.870 0.197 0.000 1.073 43 L CA 1.243 56.190 54.840 0.178 0.000 0.745 43 L CB -0.732 41.436 42.059 0.182 0.000 0.894 43 L HN 0.249 nan 8.230 nan 0.000 0.432 44 A N -0.495 122.397 122.820 0.119 0.000 1.940 44 A HA -0.230 4.090 4.320 -0.000 0.000 0.219 44 A C 2.355 179.985 177.584 0.076 0.000 1.176 44 A CA 2.495 54.590 52.037 0.097 0.000 0.631 44 A CB -0.915 18.119 19.000 0.056 0.000 0.814 44 A HN 0.419 nan 8.150 nan 0.000 0.446 45 T N -1.107 113.473 114.554 0.043 0.000 2.770 45 T HA -0.101 4.249 4.350 -0.000 0.000 0.263 45 T C 2.071 176.753 174.700 -0.030 0.000 1.039 45 T CA 1.332 63.438 62.100 0.009 0.000 1.142 45 T CB -0.201 68.665 68.868 -0.002 0.000 0.868 45 T HN 0.572 nan 8.240 nan 0.000 0.435 46 R N -0.026 120.429 120.500 -0.075 0.000 2.081 46 R HA -0.086 4.254 4.340 -0.000 0.000 0.235 46 R C 1.019 177.087 176.300 -0.387 0.000 1.131 46 R CA 1.485 57.428 56.100 -0.262 0.000 0.960 46 R CB -0.174 29.891 30.300 -0.392 0.000 0.856 46 R HN 0.451 nan 8.270 nan 0.000 0.436 47 Y N 0.239 120.542 120.300 0.004 0.000 2.571 47 Y HA 0.326 4.876 4.550 -0.000 0.000 0.275 47 Y C -0.251 175.653 175.900 0.007 0.000 1.179 47 Y CA -0.461 57.642 58.100 0.006 0.000 1.242 47 Y CB 0.323 38.787 38.460 0.007 0.000 1.126 47 Y HN -0.057 nan 8.280 nan 0.000 0.524 48 R N 0.849 121.398 120.500 0.082 0.000 2.884 48 R HA -0.130 4.210 4.340 -0.000 0.000 0.251 48 R C -1.025 175.317 176.300 0.070 0.000 0.870 48 R CA 0.661 56.796 56.100 0.059 0.000 0.647 48 R CB -1.604 28.719 30.300 0.039 0.000 1.415 48 R HN 0.187 nan 8.270 nan 0.000 0.513 49 V N -1.833 118.120 119.914 0.065 0.000 2.656 49 V HA 0.524 4.644 4.120 -0.000 0.000 0.307 49 V C 0.733 176.840 176.094 0.023 0.000 1.051 49 V CA -0.552 61.772 62.300 0.041 0.000 0.893 49 V CB 2.470 34.313 31.823 0.034 0.000 0.999 49 V HN 0.284 nan 8.190 nan 0.000 0.426 50 S N 2.745 118.453 115.700 0.013 0.000 2.371 50 S HA 0.275 4.745 4.470 -0.000 0.000 0.219 50 S C 1.413 176.012 174.600 -0.002 0.000 1.040 50 S CA 0.743 58.956 58.200 0.021 0.000 0.958 50 S CB -0.106 63.118 63.200 0.040 0.000 0.860 50 S HN 1.471 nan 8.310 nan 0.000 0.487 51 A N 3.173 125.948 122.820 -0.074 0.000 2.594 51 A HA 0.369 4.689 4.320 -0.000 0.000 0.291 51 A C 0.234 177.657 177.584 -0.267 0.000 1.374 51 A CA 0.244 52.107 52.037 -0.291 0.000 1.025 51 A CB -0.675 18.000 19.000 -0.541 0.000 1.072 51 A HN 0.285 nan 8.150 nan 0.000 0.555 52 T N 1.005 115.495 114.554 -0.107 0.000 2.945 52 T HA 0.603 4.952 4.350 -0.000 0.000 0.286 52 T C -0.451 174.259 174.700 0.017 0.000 1.025 52 T CA -0.405 61.673 62.100 -0.035 0.000 1.039 52 T CB 1.435 70.318 68.868 0.024 0.000 1.068 52 T HN 0.985 nan 8.240 nan 0.000 0.497 53 C N 0.781 120.103 119.300 0.036 0.000 3.283 53 C HA 0.537 4.997 4.460 -0.000 0.000 0.359 53 C C 1.079 176.113 174.990 0.075 0.000 1.160 53 C CA -0.355 58.717 59.018 0.089 0.000 1.232 53 C CB 0.897 28.706 27.740 0.116 0.000 1.571 53 C HN 0.959 nan 8.230 nan 0.000 0.522 54 T N 0.626 115.224 114.554 0.073 0.000 2.999 54 T HA 0.201 4.551 4.350 -0.000 0.000 0.247 54 T C -0.088 174.647 174.700 0.059 0.000 1.012 54 T CA 0.509 62.645 62.100 0.059 0.000 1.048 54 T CB -0.078 68.814 68.868 0.040 0.000 1.020 54 T HN 0.775 nan 8.240 nan 0.000 0.478 55 D N 1.147 121.568 120.400 0.035 0.000 2.280 55 D HA 0.115 4.755 4.640 -0.000 0.000 0.236 55 D C 0.677 176.975 176.300 -0.003 0.000 1.082 55 D CA -0.669 53.307 54.000 -0.040 0.000 0.834 55 D CB 1.230 41.952 40.800 -0.129 0.000 1.100 55 D HN 0.376 nan 8.370 nan 0.000 0.486 56 Y N 3.499 123.835 120.300 0.060 0.000 2.738 56 Y HA -0.084 4.465 4.550 -0.000 0.000 0.293 56 Y C 1.446 177.467 175.900 0.202 0.000 1.156 56 Y CA 0.716 58.919 58.100 0.173 0.000 1.410 56 Y CB -0.300 38.264 38.460 0.172 0.000 0.966 56 Y HN 0.264 nan 8.280 nan 0.000 0.568 57 R N 0.383 120.732 120.500 -0.250 0.000 2.105 57 R HA -0.017 4.323 4.340 -0.000 0.000 0.214 57 R C 1.580 177.946 176.300 0.110 0.000 1.091 57 R CA 0.926 56.965 56.100 -0.100 0.000 1.007 57 R CB -0.173 29.917 30.300 -0.350 0.000 0.912 57 R HN 0.341 nan 8.270 nan 0.000 0.450 58 D N 0.804 121.249 120.400 0.075 0.000 2.311 58 D HA -0.120 4.520 4.640 -0.000 0.000 0.212 58 D C 1.715 178.176 176.300 0.269 0.000 0.972 58 D CA 0.937 55.013 54.000 0.127 0.000 0.887 58 D CB 0.078 40.952 40.800 0.123 0.000 0.915 58 D HN 0.027 nan 8.370 nan 0.000 0.497 59 V N 1.370 121.490 119.914 0.343 0.000 2.453 59 V HA -0.245 3.874 4.120 -0.000 0.000 0.252 59 V C 2.575 178.914 176.094 0.408 0.000 1.068 59 V CA 1.136 63.691 62.300 0.424 0.000 1.070 59 V CB -0.452 31.643 31.823 0.454 0.000 0.664 59 V HN 0.257 nan 8.190 nan 0.000 0.461 60 L N -0.611 120.800 121.223 0.313 0.000 2.191 60 L HA -0.216 4.124 4.340 -0.000 0.000 0.212 60 L C 2.634 179.572 176.870 0.113 0.000 1.103 60 L CA 1.255 56.214 54.840 0.197 0.000 0.769 60 L CB -0.671 41.454 42.059 0.110 0.000 0.908 60 L HN 0.410 nan 8.230 nan 0.000 0.438 61 Q N -0.424 119.408 119.800 0.053 0.000 2.112 61 Q HA -0.230 4.110 4.340 -0.000 0.000 0.206 61 Q C 1.750 177.624 176.000 -0.210 0.000 0.987 61 Q CA 1.851 57.559 55.803 -0.157 0.000 0.858 61 Q CB -0.259 28.259 28.738 -0.366 0.000 0.905 61 Q HN 0.564 nan 8.270 nan 0.000 0.420 62 Y N -0.330 119.995 120.300 0.043 0.000 2.578 62 Y HA 0.178 4.728 4.550 -0.000 0.000 0.297 62 Y C 1.276 177.192 175.900 0.027 0.000 1.176 62 Y CA 0.348 58.468 58.100 0.033 0.000 1.315 62 Y CB -0.147 38.336 38.460 0.038 0.000 1.031 62 Y HN 0.137 nan 8.280 nan 0.000 0.524 63 G N 1.524 110.409 108.800 0.143 0.000 2.367 63 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.295 63 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.295 63 G C 0.062 175.017 174.900 0.091 0.000 1.019 63 G CA 0.125 45.279 45.100 0.090 0.000 1.224 63 G HN 0.470 nan 8.290 nan 0.000 0.510 64 V N -2.181 117.799 119.914 0.109 0.000 2.881 64 V HA 0.493 4.613 4.120 -0.000 0.000 0.303 64 V C 1.015 177.128 176.094 0.032 0.000 1.070 64 V CA 0.271 62.611 62.300 0.068 0.000 1.074 64 V CB 1.498 33.363 31.823 0.071 0.000 1.012 64 V HN 0.253 nan 8.190 nan 0.000 0.482 65 D N 1.984 122.380 120.400 -0.007 0.000 2.354 65 D HA 0.445 5.085 4.640 -0.000 0.000 0.209 65 D C 0.575 176.847 176.300 -0.046 0.000 1.015 65 D CA 1.450 55.428 54.000 -0.038 0.000 0.867 65 D CB 1.250 42.002 40.800 -0.078 0.000 0.933 65 D HN 1.001 nan 8.370 nan 0.000 0.520 66 A N 0.099 122.906 122.820 -0.021 0.000 2.549 66 A HA 0.486 4.806 4.320 -0.000 0.000 0.291 66 A C -0.921 176.679 177.584 0.027 0.000 1.034 66 A CA -0.657 51.402 52.037 0.035 0.000 0.655 66 A CB 0.866 19.873 19.000 0.013 0.000 1.299 66 A HN -0.041 nan 8.150 nan 0.000 0.427 70 H N 3.610 122.632 119.070 -0.079 0.000 2.923 70 H HA 0.441 4.997 4.556 -0.000 0.000 0.268 70 H C 0.914 176.280 175.328 0.064 0.000 1.148 70 H CA 0.062 56.088 56.048 -0.036 0.000 1.146 70 H CB 0.753 30.482 29.762 -0.055 0.000 1.607 70 H HN 0.680 nan 8.280 nan 0.000 0.566 71 A N 1.500 124.399 122.820 0.133 0.000 2.297 71 A HA 0.461 4.781 4.320 -0.000 0.000 0.279 71 A C 0.911 178.517 177.584 0.037 0.000 1.219 71 A CA 0.269 52.354 52.037 0.080 0.000 0.827 71 A CB -0.142 18.871 19.000 0.021 0.000 1.129 71 A HN 0.378 nan 8.150 nan 0.000 0.511 72 A N -1.591 121.172 122.820 -0.095 0.000 2.386 72 A HA 0.416 4.736 4.320 -0.000 0.000 0.246 72 A C 1.383 178.598 177.584 -0.614 0.000 1.089 72 A CA 0.535 52.454 52.037 -0.197 0.000 0.790 72 A CB -0.546 18.373 19.000 -0.135 0.000 1.042 72 A HN 0.906 nan 8.150 nan 0.000 0.497 73 T N 0.516 114.746 114.554 -0.539 0.000 2.788 73 T HA -0.146 4.204 4.350 -0.000 0.000 0.268 73 T C 1.092 175.458 174.700 -0.557 0.000 1.044 73 T CA 2.003 63.653 62.100 -0.751 0.000 1.139 73 T CB -0.542 68.217 68.868 -0.181 0.000 0.867 73 T HN 0.935 nan 8.240 nan 0.000 0.454 74 D N 0.971 121.176 120.400 -0.326 0.000 2.378 74 D HA 0.009 4.649 4.640 -0.000 0.000 0.227 74 D C 1.158 177.344 176.300 -0.189 0.000 1.012 74 D CA 0.204 54.081 54.000 -0.205 0.000 0.905 74 D CB -0.202 40.515 40.800 -0.138 0.000 0.895 74 D HN 0.323 nan 8.370 nan 0.000 0.532 75 V N -0.611 119.145 119.914 -0.262 0.000 3.502 75 V HA 0.040 4.160 4.120 -0.000 0.000 0.288 75 V C 1.496 177.523 176.094 -0.113 0.000 1.461 75 V CA -0.261 61.936 62.300 -0.171 0.000 1.029 75 V CB -0.098 31.636 31.823 -0.148 0.000 0.843 75 V HN 0.207 nan 8.190 nan 0.000 0.438 76 H N 1.207 120.209 119.070 -0.113 0.000 2.253 76 H HA -0.119 4.437 4.556 -0.000 0.000 0.296 76 H C 2.555 177.808 175.328 -0.126 0.000 1.074 76 H CA 1.956 57.923 56.048 -0.135 0.000 1.263 76 H CB -0.696 28.978 29.762 -0.146 0.000 1.363 76 H HN 0.355 nan 8.280 nan 0.000 0.489 77 S N 0.135 115.851 115.700 0.027 0.000 2.381 77 S HA -0.220 4.250 4.470 -0.000 0.000 0.230 77 S C 2.262 176.845 174.600 -0.028 0.000 1.052 77 S CA 2.123 60.309 58.200 -0.023 0.000 1.068 77 S CB -0.476 62.703 63.200 -0.035 0.000 0.918 77 S HN 0.554 nan 8.310 nan 0.000 0.448 78 T N 3.085 117.607 114.554 -0.054 0.000 2.569 78 T HA -0.077 4.273 4.350 -0.000 0.000 0.263 78 T C 1.835 176.476 174.700 -0.098 0.000 1.074 78 T CA 1.520 63.570 62.100 -0.084 0.000 1.176 78 T CB -0.790 67.993 68.868 -0.142 0.000 0.863 78 T HN 0.242 nan 8.240 nan 0.000 0.410 79 L N 0.928 122.049 121.223 -0.170 0.000 1.997 79 L HA -0.229 4.111 4.340 -0.000 0.000 0.216 79 L C 3.100 180.098 176.870 0.213 0.000 1.074 79 L CA 1.600 56.392 54.840 -0.080 0.000 0.763 79 L CB -0.975 41.041 42.059 -0.071 0.000 0.890 79 L HN 0.309 nan 8.230 nan 0.000 0.434 80 A N 0.148 123.019 122.820 0.085 0.000 1.849 80 A HA -0.291 4.029 4.320 -0.000 0.000 0.217 80 A C 2.562 180.214 177.584 0.113 0.000 1.202 80 A CA 2.440 54.514 52.037 0.062 0.000 0.629 80 A CB -1.151 17.805 19.000 -0.074 0.000 0.834 80 A HN 0.440 nan 8.150 nan 0.000 0.447 81 A N -1.322 121.537 122.820 0.065 0.000 1.903 81 A HA -0.176 4.144 4.320 -0.000 0.000 0.219 81 A C 2.065 179.724 177.584 0.124 0.000 1.191 81 A CA 2.100 54.182 52.037 0.075 0.000 0.638 81 A CB -0.920 18.113 19.000 0.055 0.000 0.823 81 A HN 0.818 nan 8.150 nan 0.000 0.451 82 F N -0.093 119.831 119.950 -0.042 0.000 2.043 82 F HA -0.240 4.287 4.527 -0.000 0.000 0.297 82 F C 1.902 177.565 175.800 -0.229 0.000 1.118 82 F CA 2.141 60.044 58.000 -0.161 0.000 1.202 82 F CB -0.704 38.102 39.000 -0.323 0.000 0.965 82 F HN 0.226 nan 8.300 nan 0.000 0.482 83 F N -0.290 119.610 119.950 -0.084 0.000 2.456 83 F HA -0.024 4.502 4.527 -0.000 0.000 0.298 83 F C 2.218 177.921 175.800 -0.162 0.000 1.104 83 F CA 0.540 58.416 58.000 -0.206 0.000 1.435 83 F CB -0.762 38.214 39.000 -0.040 0.000 1.078 83 F HN -0.036 nan 8.300 nan 0.000 0.546 84 L N -0.647 120.623 121.223 0.078 0.000 2.093 84 L HA -0.228 4.112 4.340 -0.000 0.000 0.208 84 L C 2.613 179.436 176.870 -0.078 0.000 1.085 84 L CA 1.313 56.178 54.840 0.042 0.000 0.755 84 L CB -0.644 41.452 42.059 0.061 0.000 0.904 84 L HN 0.211 nan 8.230 nan 0.000 0.435 85 H N 0.605 119.492 119.070 -0.305 0.000 2.363 85 H HA -0.062 4.494 4.556 -0.000 0.000 0.301 85 H C 1.963 176.896 175.328 -0.659 0.000 1.074 85 H CA 1.305 56.950 56.048 -0.671 0.000 1.354 85 H CB -0.185 29.378 29.762 -0.332 0.000 1.397 85 H HN 0.181 nan 8.280 nan 0.000 0.516 86 L N 0.001 120.874 121.223 -0.584 0.000 2.633 86 L HA 0.054 4.394 4.340 -0.000 0.000 0.235 86 L C 1.103 177.796 176.870 -0.295 0.000 1.163 86 L CA 0.612 55.131 54.840 -0.534 0.000 0.859 86 L CB -0.554 41.177 42.059 -0.547 0.000 0.973 86 L HN 0.568 nan 8.230 nan 0.000 0.451 87 G N 1.440 110.099 108.800 -0.236 0.000 2.353 87 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.294 87 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.294 87 G C -0.285 174.611 174.900 -0.007 0.000 1.077 87 G CA -0.121 44.936 45.100 -0.073 0.000 1.098 87 G HN 0.333 nan 8.290 nan 0.000 0.511 88 I N 0.034 120.623 120.570 0.031 0.000 2.499 88 I HA 0.291 4.461 4.170 -0.000 0.000 0.288 88 I C -2.366 173.815 176.117 0.107 0.000 1.048 88 I CA -2.725 58.618 61.300 0.071 0.000 1.062 88 I CB 2.717 40.784 38.000 0.112 0.000 1.238 88 I HN -0.125 nan 8.210 nan 0.000 0.426 89 P HA 0.002 nan 4.420 nan 0.000 0.260 89 P C -0.770 176.715 177.300 0.308 0.000 1.185 89 P CA 0.507 63.722 63.100 0.192 0.000 0.763 89 P CB 0.310 32.064 31.700 0.091 0.000 0.776 90 T N 4.337 119.049 114.554 0.263 0.000 2.855 90 T HA 0.540 4.890 4.350 -0.000 0.000 0.281 90 T C -0.834 173.846 174.700 -0.033 0.000 1.007 90 T CA -0.214 61.954 62.100 0.113 0.000 1.009 90 T CB 0.508 69.375 68.868 -0.001 0.000 0.983 90 T HN 0.127 nan 8.240 nan 0.000 0.455 91 F N 3.291 122.926 119.950 -0.525 0.000 2.520 91 F HA 0.729 5.256 4.527 -0.000 0.000 0.322 91 F C -1.316 174.079 175.800 -0.675 0.000 1.103 91 F CA -0.719 56.740 58.000 -0.902 0.000 0.926 91 F CB 1.189 39.101 39.000 -1.815 0.000 1.154 91 F HN 0.301 nan 8.300 nan 0.000 0.453 92 V N 4.573 123.680 119.914 -1.346 0.000 2.686 92 V HA 0.215 4.335 4.120 -0.000 0.000 0.306 92 V C -1.077 174.258 176.094 -1.265 0.000 1.065 92 V CA -0.903 60.729 62.300 -1.112 0.000 0.894 92 V CB 1.796 33.124 31.823 -0.825 0.000 1.004 92 V HN 0.746 nan 8.190 nan 0.000 0.424 93 D N 3.563 123.422 120.400 -0.901 0.000 2.389 93 D HA 0.308 4.948 4.640 -0.000 0.000 0.247 93 D C 0.290 176.318 176.300 -0.453 0.000 1.128 93 D CA -0.276 53.419 54.000 -0.508 0.000 0.884 93 D CB 0.964 41.744 40.800 -0.033 0.000 1.194 93 D HN 0.627 nan 8.370 nan 0.000 0.441 94 K N 4.043 124.163 120.400 -0.466 0.000 2.527 94 K HA 0.181 4.501 4.320 -0.000 0.000 0.278 94 K C -2.400 174.105 176.600 -0.159 0.000 0.981 94 K CA -0.764 55.246 56.287 -0.463 0.000 1.009 94 K CB -0.212 31.803 32.500 -0.809 0.000 0.895 94 K HN 0.193 nan 8.250 nan 0.000 0.493 95 P HA 0.021 nan 4.420 nan 0.000 0.279 95 P C 0.174 177.512 177.300 0.064 0.000 1.252 95 P CA -0.731 62.441 63.100 0.121 0.000 0.811 95 P CB 0.974 32.870 31.700 0.328 0.000 1.035 96 L N 0.927 122.182 121.223 0.053 0.000 2.083 96 L HA 0.137 4.477 4.340 -0.000 0.000 0.209 96 L C 0.640 177.485 176.870 -0.042 0.000 1.083 96 L CA 1.983 56.671 54.840 -0.253 0.000 0.752 96 L CB -0.937 40.814 42.059 -0.513 0.000 0.899 96 L HN 0.656 nan 8.230 nan 0.000 0.433 97 A N -2.945 119.939 122.820 0.107 0.000 2.586 97 A HA 0.661 4.981 4.320 -0.000 0.000 0.291 97 A C 0.378 178.008 177.584 0.077 0.000 1.062 97 A CA -0.153 51.943 52.037 0.098 0.000 0.666 97 A CB -0.077 18.925 19.000 0.003 0.000 1.281 97 A HN 0.199 nan 8.150 nan 0.000 0.421 98 A N 0.137 122.868 122.820 -0.147 0.000 2.239 98 A HA 0.456 4.776 4.320 -0.000 0.000 0.209 98 A C 1.009 178.091 177.584 -0.836 0.000 1.171 98 A CA 1.636 53.345 52.037 -0.546 0.000 0.768 98 A CB -0.784 17.998 19.000 -0.364 0.000 0.790 98 A HN 2.221 nan 8.150 nan 0.000 0.478 99 S N -3.768 111.744 115.700 -0.314 0.000 2.579 99 S HA 0.674 5.144 4.470 -0.000 0.000 0.272 99 S C 0.579 175.257 174.600 0.129 0.000 1.141 99 S CA -0.101 58.028 58.200 -0.119 0.000 0.843 99 S CB 1.467 64.607 63.200 -0.100 0.000 1.122 99 S HN 0.775 nan 8.310 nan 0.000 0.468 100 A N 0.705 123.644 122.820 0.198 0.000 1.968 100 A HA 0.007 4.326 4.320 -0.000 0.000 0.217 100 A C 2.102 179.743 177.584 0.094 0.000 1.169 100 A CA 1.798 53.947 52.037 0.186 0.000 0.638 100 A CB -1.086 18.017 19.000 0.171 0.000 0.812 100 A HN 0.867 nan 8.150 nan 0.000 0.446 101 Q N 0.642 120.477 119.800 0.057 0.000 2.045 101 Q HA -0.226 4.114 4.340 -0.000 0.000 0.206 101 Q C 1.803 177.813 176.000 0.017 0.000 0.991 101 Q CA 2.528 58.348 55.803 0.028 0.000 0.851 101 Q CB -0.450 28.293 28.738 0.009 0.000 0.911 101 Q HN 0.747 nan 8.270 nan 0.000 0.418 102 E N -0.861 119.340 120.200 0.002 0.000 2.085 102 E HA -0.212 4.138 4.350 -0.000 0.000 0.194 102 E C 2.265 178.853 176.600 -0.020 0.000 0.994 102 E CA 1.237 57.627 56.400 -0.017 0.000 0.801 102 E CB -0.302 29.379 29.700 -0.033 0.000 0.743 102 E HN 0.429 nan 8.360 nan 0.000 0.453 103 C N 1.187 120.486 119.300 -0.002 0.000 2.413 103 C HA -0.137 4.323 4.460 -0.000 0.000 0.277 103 C C 2.507 177.543 174.990 0.077 0.000 1.228 103 C CA 0.940 59.954 59.018 -0.008 0.000 1.731 103 C CB -0.862 26.879 27.740 0.002 0.000 2.042 103 C HN 0.475 nan 8.230 nan 0.000 0.468 104 E N 0.783 121.031 120.200 0.081 0.000 2.085 104 E HA -0.190 4.160 4.350 -0.000 0.000 0.194 104 E C 1.903 178.544 176.600 0.069 0.000 0.994 104 E CA 1.120 57.574 56.400 0.090 0.000 0.801 104 E CB -0.280 29.453 29.700 0.056 0.000 0.743 104 E HN 0.606 nan 8.360 nan 0.000 0.453 105 N N 1.055 119.770 118.700 0.026 0.000 2.013 105 N HA -0.167 4.573 4.740 -0.000 0.000 0.195 105 N C 2.080 177.583 175.510 -0.012 0.000 1.051 105 N CA 1.060 54.112 53.050 0.003 0.000 0.851 105 N CB -0.507 37.972 38.487 -0.012 0.000 1.044 105 N HN 0.130 nan 8.380 nan 0.000 0.422 106 L N -0.209 120.980 121.223 -0.057 0.000 2.089 106 L HA -0.231 4.109 4.340 -0.000 0.000 0.213 106 L C 2.256 179.018 176.870 -0.181 0.000 1.079 106 L CA 1.421 56.178 54.840 -0.138 0.000 0.758 106 L CB -0.519 41.398 42.059 -0.236 0.000 0.891 106 L HN 0.234 nan 8.230 nan 0.000 0.433 107 Y N -0.415 119.865 120.300 -0.034 0.000 2.286 107 Y HA -0.183 4.367 4.550 -0.000 0.000 0.293 107 Y C 2.654 178.544 175.900 -0.016 0.000 1.124 107 Y CA 1.036 59.122 58.100 -0.023 0.000 1.178 107 Y CB 0.059 38.502 38.460 -0.030 0.000 1.010 107 Y HN 0.150 nan 8.280 nan 0.000 0.536 108 E N -0.034 120.239 120.200 0.121 0.000 2.051 108 E HA -0.252 4.098 4.350 -0.000 0.000 0.192 108 E C 2.016 178.621 176.600 0.008 0.000 0.991 108 E CA 1.265 57.696 56.400 0.052 0.000 0.799 108 E CB -0.262 29.452 29.700 0.024 0.000 0.748 108 E HN 0.284 nan 8.360 nan 0.000 0.449 109 L N 0.930 122.153 121.223 -0.000 0.000 2.012 109 L HA -0.166 4.174 4.340 -0.000 0.000 0.210 109 L C 2.187 179.075 176.870 0.029 0.000 1.073 109 L CA 2.303 57.141 54.840 -0.003 0.000 0.748 109 L CB -0.753 41.316 42.059 0.016 0.000 0.891 109 L HN 0.052 nan 8.230 nan 0.000 0.431 110 A N -0.979 121.862 122.820 0.036 0.000 1.978 110 A HA -0.228 4.092 4.320 -0.000 0.000 0.220 110 A C 2.169 179.791 177.584 0.063 0.000 1.170 110 A CA 1.828 53.906 52.037 0.068 0.000 0.636 110 A CB -0.658 18.358 19.000 0.026 0.000 0.810 110 A HN 0.663 nan 8.150 nan 0.000 0.448 111 E N -0.348 119.875 120.200 0.038 0.000 2.204 111 E HA -0.149 4.201 4.350 -0.000 0.000 0.194 111 E C 1.957 178.436 176.600 -0.202 0.000 0.989 111 E CA 1.046 57.444 56.400 -0.003 0.000 0.824 111 E CB -0.073 29.645 29.700 0.029 0.000 0.756 111 E HN 0.609 nan 8.360 nan 0.000 0.477 112 K N 0.028 120.280 120.400 -0.246 0.000 2.031 112 K HA -0.070 4.250 4.320 -0.000 0.000 0.205 112 K C 1.740 177.982 176.600 -0.597 0.000 1.049 112 K CA 0.875 56.898 56.287 -0.439 0.000 0.939 112 K CB -0.026 32.204 32.500 -0.450 0.000 0.717 112 K HN 0.206 nan 8.250 nan 0.000 0.438 113 H N 0.084 119.043 119.070 -0.185 0.000 2.543 113 H HA 0.045 4.601 4.556 -0.000 0.000 0.269 113 H C -0.247 175.080 175.328 -0.002 0.000 1.005 113 H CA 0.493 56.494 56.048 -0.079 0.000 1.146 113 H CB -0.027 29.750 29.762 0.026 0.000 1.353 113 H HN 0.286 nan 8.280 nan 0.000 0.595 114 H N 0.181 119.321 119.070 0.116 0.000 2.741 114 H HA -0.147 4.409 4.556 -0.000 0.000 0.305 114 H C -0.037 175.357 175.328 0.109 0.000 1.169 114 H CA 0.494 56.599 56.048 0.095 0.000 1.144 114 H CB -1.319 28.486 29.762 0.072 0.000 1.397 114 H HN 0.429 nan 8.280 nan 0.000 0.409 115 Q N 0.574 120.494 119.800 0.199 0.000 2.257 115 Q HA 0.435 4.775 4.340 -0.000 0.000 0.262 115 Q C -2.033 174.069 176.000 0.169 0.000 0.997 115 Q CA -1.733 54.171 55.803 0.168 0.000 0.873 115 Q CB 2.128 30.953 28.738 0.144 0.000 1.312 115 Q HN 0.196 nan 8.270 nan 0.000 0.450 116 P HA 0.288 nan 4.420 nan 0.000 0.294 116 P C -1.072 176.374 177.300 0.243 0.000 1.294 116 P CA -0.631 62.607 63.100 0.229 0.000 0.827 116 P CB 1.052 32.895 31.700 0.239 0.000 0.992 117 L N 5.241 126.597 121.223 0.222 0.000 2.345 117 L HA 0.437 4.777 4.340 -0.000 0.000 0.274 117 L C -1.437 175.539 176.870 0.177 0.000 0.999 117 L CA -1.009 53.876 54.840 0.076 0.000 0.849 117 L CB 0.653 42.559 42.059 -0.255 0.000 1.220 117 L HN 0.248 nan 8.230 nan 0.000 0.422 118 Y N 4.162 124.470 120.300 0.015 0.000 2.320 118 Y HA 0.641 5.191 4.550 -0.000 0.000 0.334 118 Y C -0.443 175.257 175.900 -0.333 0.000 1.055 118 Y CA -0.311 57.796 58.100 0.012 0.000 1.143 118 Y CB 1.464 40.056 38.460 0.220 0.000 1.193 118 Y HN 0.395 nan 8.280 nan 0.000 0.477 119 V N 4.954 124.610 119.914 -0.430 0.000 2.472 119 V HA 0.409 4.529 4.120 -0.000 0.000 0.290 119 V C 0.459 176.222 176.094 -0.552 0.000 1.037 119 V CA -0.659 61.309 62.300 -0.554 0.000 0.908 119 V CB 1.548 33.171 31.823 -0.334 0.000 0.985 119 V HN 0.999 nan 8.190 nan 0.000 0.454 120 G N 3.689 112.069 108.800 -0.700 0.000 2.621 120 G HA2 0.402 4.362 3.960 -0.000 0.000 0.306 120 G HA3 0.402 4.362 3.960 -0.000 0.000 0.306 120 G C -0.570 174.182 174.900 -0.247 0.000 0.893 120 G CA -0.040 44.921 45.100 -0.231 0.000 1.486 120 G HN 0.564 nan 8.290 nan 0.000 0.477 121 F N 1.840 121.818 119.950 0.047 0.000 2.366 121 F HA 0.146 4.673 4.527 -0.000 0.000 0.357 121 F C 1.498 177.319 175.800 0.035 0.000 1.107 121 F CA -1.044 56.960 58.000 0.007 0.000 1.208 121 F CB 0.905 39.861 39.000 -0.075 0.000 1.464 121 F HN 0.641 nan 8.300 nan 0.000 0.501 122 N N 1.062 119.807 118.700 0.075 0.000 2.205 122 N HA -0.225 4.515 4.740 -0.000 0.000 0.186 122 N C 1.481 176.936 175.510 -0.093 0.000 1.015 122 N CA 1.026 53.979 53.050 -0.162 0.000 0.862 122 N CB -0.064 37.914 38.487 -0.849 0.000 0.986 122 N HN 0.367 nan 8.380 nan 0.000 0.429 123 R N -0.021 120.441 120.500 -0.063 0.000 2.369 123 R HA 0.139 4.479 4.340 -0.000 0.000 0.200 123 R C 1.185 177.451 176.300 -0.056 0.000 1.046 123 R CA 0.420 56.487 56.100 -0.055 0.000 1.057 123 R CB 0.056 30.280 30.300 -0.128 0.000 0.888 123 R HN 0.387 nan 8.270 nan 0.000 0.474 124 R N -1.389 119.047 120.500 -0.106 0.000 2.334 124 R HA 0.109 4.449 4.340 -0.000 0.000 0.212 124 R C 0.240 176.265 176.300 -0.459 0.000 0.897 124 R CA 0.280 56.217 56.100 -0.270 0.000 1.056 124 R CB 0.605 30.683 30.300 -0.370 0.000 1.046 124 R HN 0.338 nan 8.270 nan 0.000 0.513 125 H N 0.254 119.327 119.070 0.006 0.000 2.510 125 H HA 0.191 4.747 4.556 -0.000 0.000 0.266 125 H C -0.121 175.166 175.328 -0.070 0.000 1.146 125 H CA -0.396 55.651 56.048 -0.001 0.000 0.993 125 H CB 0.758 30.527 29.762 0.013 0.000 1.727 125 H HN -0.093 nan 8.280 nan 0.000 0.590 126 I N 4.832 125.370 120.570 -0.054 0.000 2.576 126 I HA -0.011 4.159 4.170 -0.000 0.000 0.288 126 I C -1.002 175.024 176.117 -0.151 0.000 1.126 126 I CA -1.975 59.190 61.300 -0.225 0.000 1.362 126 I CB 0.646 38.361 38.000 -0.475 0.000 1.419 126 I HN 0.029 nan 8.210 nan 0.000 0.533 127 P HA -0.242 nan 4.420 nan 0.000 0.216 127 P C 1.800 179.079 177.300 -0.035 0.000 1.157 127 P CA 1.274 64.351 63.100 -0.037 0.000 0.880 127 P CB 0.465 32.157 31.700 -0.014 0.000 0.791 128 L N -1.800 119.374 121.223 -0.081 0.000 2.141 128 L HA -0.116 4.224 4.340 -0.000 0.000 0.209 128 L C 2.566 179.492 176.870 0.095 0.000 1.094 128 L CA 1.736 56.596 54.840 0.033 0.000 0.763 128 L CB -1.228 40.854 42.059 0.039 0.000 0.908 128 L HN -0.155 nan 8.230 nan 0.000 0.437 129 Y N -0.797 119.355 120.300 -0.247 0.000 2.243 129 Y HA 0.004 4.554 4.550 -0.000 0.000 0.293 129 Y C 2.414 178.254 175.900 -0.100 0.000 1.124 129 Y CA 0.557 58.456 58.100 -0.334 0.000 1.159 129 Y CB -1.200 37.072 38.460 -0.313 0.000 1.008 129 Y HN 0.286 nan 8.280 nan 0.000 0.527 130 N N 0.329 119.094 118.700 0.108 0.000 2.396 130 N HA -0.137 4.603 4.740 -0.000 0.000 0.180 130 N C 1.830 177.358 175.510 0.030 0.000 1.028 130 N CA 0.781 53.872 53.050 0.069 0.000 0.893 130 N CB -0.354 38.165 38.487 0.054 0.000 0.967 130 N HN 0.531 nan 8.380 nan 0.000 0.440 131 Q N -0.145 119.655 119.800 0.001 0.000 2.123 131 Q HA -0.115 4.224 4.340 -0.000 0.000 0.199 131 Q C 1.138 177.018 176.000 -0.201 0.000 0.966 131 Q CA 1.167 56.905 55.803 -0.108 0.000 0.845 131 Q CB 0.107 28.745 28.738 -0.168 0.000 0.907 131 Q HN 0.489 nan 8.270 nan 0.000 0.439 132 H N -0.569 118.509 119.070 0.014 0.000 2.439 132 H HA 0.191 4.747 4.556 -0.000 0.000 0.299 132 H C 0.241 175.479 175.328 -0.149 0.000 1.033 132 H CA 0.435 56.449 56.048 -0.056 0.000 1.348 132 H CB 0.488 30.205 29.762 -0.075 0.000 1.449 132 H HN 0.156 nan 8.280 nan 0.000 0.544 133 L N 2.694 123.925 121.223 0.012 0.000 2.287 133 L HA 0.162 4.502 4.340 -0.000 0.000 0.280 133 L C 1.462 178.381 176.870 0.081 0.000 1.055 133 L CA -0.422 54.447 54.840 0.048 0.000 0.863 133 L CB 1.419 43.522 42.059 0.074 0.000 1.245 133 L HN 0.110 nan 8.230 nan 0.000 0.432 134 S N 0.365 116.108 115.700 0.071 0.000 2.399 134 S HA -0.195 4.275 4.470 -0.000 0.000 0.231 134 S C 1.448 176.098 174.600 0.083 0.000 1.022 134 S CA 0.935 59.174 58.200 0.064 0.000 0.983 134 S CB -0.072 63.156 63.200 0.048 0.000 0.803 134 S HN 0.638 nan 8.310 nan 0.000 0.480 135 E N 1.613 121.886 120.200 0.120 0.000 2.171 135 E HA -0.018 4.331 4.350 -0.000 0.000 0.197 135 E C 1.917 178.565 176.600 0.080 0.000 0.997 135 E CA 1.102 57.565 56.400 0.104 0.000 0.810 135 E CB -0.506 29.268 29.700 0.124 0.000 0.738 135 E HN 0.553 nan 8.360 nan 0.000 0.467 136 L N -0.508 120.769 121.223 0.090 0.000 2.131 136 L HA -0.035 4.304 4.340 -0.000 0.000 0.206 136 L C 2.313 179.212 176.870 0.048 0.000 1.087 136 L CA 0.847 55.735 54.840 0.080 0.000 0.767 136 L CB -0.435 41.702 42.059 0.130 0.000 0.917 136 L HN 0.166 nan 8.230 nan 0.000 0.441 137 A N -0.127 122.726 122.820 0.055 0.000 1.858 137 A HA -0.252 4.068 4.320 -0.000 0.000 0.216 137 A C 2.118 179.735 177.584 0.056 0.000 1.190 137 A CA 1.564 53.629 52.037 0.046 0.000 0.617 137 A CB -0.488 18.544 19.000 0.053 0.000 0.827 137 A HN 0.471 nan 8.150 nan 0.000 0.443 138 Q N -1.059 118.777 119.800 0.060 0.000 2.435 138 Q HA 0.002 4.342 4.340 -0.000 0.000 0.207 138 Q C -0.500 175.545 176.000 0.075 0.000 0.956 138 Q CA 0.490 56.331 55.803 0.062 0.000 0.917 138 Q CB 0.064 28.825 28.738 0.040 0.000 0.997 138 Q HN 0.714 nan 8.270 nan 0.000 0.497 139 Q N 0.155 119.995 119.800 0.065 0.000 2.470 139 Q HA -0.189 4.151 4.340 -0.000 0.000 0.290 139 Q C -0.964 175.074 176.000 0.062 0.000 1.353 139 Q CA 0.693 56.534 55.803 0.064 0.000 0.787 139 Q CB -1.737 27.066 28.738 0.109 0.000 1.158 139 Q HN 0.482 nan 8.270 nan 0.000 0.426 140 E N -1.260 118.968 120.200 0.047 0.000 2.440 140 E HA 0.388 4.738 4.350 -0.000 0.000 0.263 140 E C 0.144 176.766 176.600 0.037 0.000 0.938 140 E CA -0.761 55.663 56.400 0.040 0.000 0.831 140 E CB 0.982 30.701 29.700 0.032 0.000 1.456 140 E HN 0.189 nan 8.360 nan 0.000 0.427 141 C N 0.226 119.545 119.300 0.032 0.000 2.558 141 C HA 0.264 4.724 4.460 -0.000 0.000 0.288 141 C C 1.603 176.613 174.990 0.033 0.000 1.338 141 C CA 0.554 59.582 59.018 0.016 0.000 1.760 141 C CB -0.904 26.841 27.740 0.009 0.000 2.159 141 C HN 1.037 nan 8.230 nan 0.000 0.518 142 G N 1.604 110.435 108.800 0.052 0.000 2.698 142 G HA2 -0.327 3.632 3.960 -0.000 0.000 0.337 142 G HA3 -0.327 3.632 3.960 -0.000 0.000 0.337 142 G C 1.086 176.043 174.900 0.095 0.000 1.286 142 G CA 1.078 46.226 45.100 0.080 0.000 1.000 142 G HN 1.020 nan 8.290 nan 0.000 0.547 143 A N -0.388 122.539 122.820 0.177 0.000 2.275 143 A HA 0.630 4.950 4.320 -0.000 0.000 0.212 143 A C 1.281 178.946 177.584 0.135 0.000 1.201 143 A CA 0.295 52.461 52.037 0.216 0.000 0.843 143 A CB -0.068 19.127 19.000 0.325 0.000 0.873 143 A HN 0.679 nan 8.150 nan 0.000 0.492 144 L N 1.057 122.242 121.223 -0.064 0.000 2.615 144 L HA 0.006 4.346 4.340 -0.000 0.000 0.271 144 L C 1.317 178.052 176.870 -0.225 0.000 1.183 144 L CA -0.457 54.138 54.840 -0.409 0.000 0.933 144 L CB 0.410 42.283 42.059 -0.310 0.000 1.199 144 L HN 0.316 nan 8.230 nan 0.000 0.487 145 R N 1.522 121.881 120.500 -0.235 0.000 2.254 145 R HA 0.121 4.461 4.340 -0.000 0.000 0.195 145 R C 0.339 176.567 176.300 -0.120 0.000 0.957 145 R CA 0.367 56.400 56.100 -0.113 0.000 1.024 145 R CB 0.127 30.395 30.300 -0.053 0.000 0.952 145 R HN 0.748 nan 8.270 nan 0.000 0.484 146 S N -0.723 114.876 115.700 -0.168 0.000 2.586 146 S HA 0.453 4.923 4.470 -0.000 0.000 0.277 146 S C -1.865 172.652 174.600 -0.138 0.000 1.131 146 S CA -1.043 57.080 58.200 -0.128 0.000 0.848 146 S CB 1.075 64.232 63.200 -0.072 0.000 1.091 146 S HN 0.008 nan 8.310 nan 0.000 0.453 147 L N 1.871 123.034 121.223 -0.100 0.000 2.580 147 L HA 0.724 5.064 4.340 -0.000 0.000 0.266 147 L C -0.888 175.973 176.870 -0.015 0.000 0.955 147 L CA -0.208 54.594 54.840 -0.063 0.000 0.886 147 L CB 1.916 43.941 42.059 -0.057 0.000 1.263 147 L HN 0.985 nan 8.230 nan 0.000 0.406 148 R N 4.843 125.338 120.500 -0.008 0.000 2.439 148 R HA 0.399 4.738 4.340 -0.000 0.000 0.310 148 R C -1.965 174.320 176.300 -0.025 0.000 0.955 148 R CA -0.584 55.509 56.100 -0.012 0.000 0.853 148 R CB 1.137 31.419 30.300 -0.030 0.000 1.171 148 R HN 0.726 nan 8.270 nan 0.000 0.449 149 W N 5.529 126.737 121.300 -0.153 0.000 2.318 149 W HA 0.340 5.000 4.660 -0.000 0.000 0.315 149 W C -1.082 175.328 176.519 -0.182 0.000 1.033 149 W CA -0.581 56.684 57.345 -0.134 0.000 1.275 149 W CB 1.379 30.775 29.460 -0.107 0.000 1.250 149 W HN 0.667 nan 8.180 nan 0.000 0.421 150 E N 4.030 124.177 120.200 -0.089 0.000 2.166 150 E HA 0.286 4.635 4.350 -0.000 0.000 0.275 150 E C -0.773 175.629 176.600 -0.329 0.000 0.941 150 E CA -0.642 55.606 56.400 -0.253 0.000 0.784 150 E CB 2.621 32.043 29.700 -0.463 0.000 1.115 150 E HN 0.163 nan 8.360 nan 0.000 0.399 151 K N 3.310 123.530 120.400 -0.300 0.000 2.690 151 K HA 0.221 4.541 4.320 -0.000 0.000 0.243 151 K C -1.440 175.099 176.600 -0.102 0.000 0.982 151 K CA -0.572 55.611 56.287 -0.172 0.000 0.955 151 K CB 0.556 33.108 32.500 0.087 0.000 1.185 151 K HN 0.518 nan 8.250 nan 0.000 0.467 152 H N 1.850 120.831 119.070 -0.148 0.000 2.616 152 H HA 0.563 5.118 4.556 -0.000 0.000 0.353 152 H C -0.138 175.205 175.328 0.025 0.000 1.170 152 H CA -0.706 55.264 56.048 -0.130 0.000 1.212 152 H CB 1.345 30.814 29.762 -0.488 0.000 1.653 152 H HN 0.383 nan 8.280 nan 0.000 0.537 153 R N 0.322 120.974 120.500 0.253 0.000 2.837 153 R HA 0.207 4.547 4.340 -0.000 0.000 0.271 153 R C -0.902 175.583 176.300 0.309 0.000 0.993 153 R CA -0.966 55.271 56.100 0.228 0.000 0.931 153 R CB 2.258 32.647 30.300 0.148 0.000 1.206 153 R HN 0.651 nan 8.270 nan 0.000 0.474 154 H N 0.495 119.667 119.070 0.170 0.000 2.517 154 H HA 0.366 4.922 4.556 -0.000 0.000 0.317 154 H C -0.178 175.219 175.328 0.116 0.000 1.080 154 H CA 0.310 56.446 56.048 0.146 0.000 1.301 154 H CB 1.060 30.888 29.762 0.111 0.000 1.425 154 H HN 0.842 nan 8.280 nan 0.000 0.471 155 A N 4.619 127.259 122.820 -0.299 0.000 2.203 155 A HA -0.188 4.132 4.320 -0.000 0.000 0.279 155 A C -0.389 177.136 177.584 -0.099 0.000 1.396 155 A CA 1.055 52.922 52.037 -0.282 0.000 0.747 155 A CB -1.860 16.799 19.000 -0.569 0.000 1.151 155 A HN 0.717 nan 8.150 nan 0.000 0.345 156 L N 2.076 123.311 121.223 0.020 0.000 2.559 156 L HA 0.358 4.698 4.340 -0.000 0.000 0.276 156 L C -2.108 174.836 176.870 0.123 0.000 1.457 156 L CA -0.901 53.975 54.840 0.060 0.000 0.708 156 L CB 1.426 43.526 42.059 0.068 0.000 0.987 156 L HN 0.367 nan 8.230 nan 0.000 0.518 157 P HA 0.580 nan 4.420 nan 0.000 0.275 157 P C -0.186 177.218 177.300 0.172 0.000 1.266 157 P CA 0.009 63.217 63.100 0.179 0.000 0.793 157 P CB 1.763 33.528 31.700 0.109 0.000 1.074 158 G N -0.573 108.347 108.800 0.199 0.000 2.548 158 G HA2 0.335 4.295 3.960 -0.000 0.000 0.301 158 G HA3 0.335 4.295 3.960 -0.000 0.000 0.301 158 G C -1.577 173.384 174.900 0.102 0.000 1.349 158 G CA -0.638 44.558 45.100 0.160 0.000 0.792 158 G HN 0.650 nan 8.290 nan 0.000 0.481 159 D N -0.204 120.244 120.400 0.081 0.000 2.345 159 D HA 0.154 4.794 4.640 -0.000 0.000 0.247 159 D C 1.723 178.044 176.300 0.036 0.000 1.108 159 D CA -0.517 53.499 54.000 0.026 0.000 0.894 159 D CB 1.574 42.388 40.800 0.023 0.000 1.203 159 D HN 0.349 nan 8.370 nan 0.000 0.430 160 I N 0.858 121.391 120.570 -0.060 0.000 2.103 160 I HA -0.420 3.750 4.170 -0.000 0.000 0.241 160 I C 2.716 178.876 176.117 0.073 0.000 1.036 160 I CA 1.476 62.723 61.300 -0.088 0.000 1.300 160 I CB -0.451 37.466 38.000 -0.138 0.000 1.010 160 I HN 0.370 nan 8.210 nan 0.000 0.406 161 R N 0.542 121.091 120.500 0.082 0.000 2.132 161 R HA -0.175 4.165 4.340 -0.000 0.000 0.233 161 R C 2.341 178.784 176.300 0.238 0.000 1.125 161 R CA 2.484 58.675 56.100 0.152 0.000 0.914 161 R CB -1.472 28.853 30.300 0.042 0.000 0.845 161 R HN 0.416 nan 8.270 nan 0.000 0.431 162 T N 1.603 116.262 114.554 0.175 0.000 2.624 162 T HA -0.218 4.132 4.350 -0.000 0.000 0.268 162 T C 1.657 176.515 174.700 0.263 0.000 1.041 162 T CA 1.798 64.012 62.100 0.190 0.000 1.159 162 T CB -0.582 68.369 68.868 0.139 0.000 0.863 162 T HN 0.297 nan 8.240 nan 0.000 0.434 163 F N 1.394 121.404 119.950 0.099 0.000 2.087 163 F HA -0.230 4.297 4.527 -0.000 0.000 0.299 163 F C 2.205 178.092 175.800 0.145 0.000 1.100 163 F CA 1.303 59.365 58.000 0.104 0.000 1.226 163 F CB -0.246 38.783 39.000 0.047 0.000 0.983 163 F HN -0.053 nan 8.300 nan 0.000 0.479 164 V N -0.662 119.551 119.914 0.498 0.000 2.273 164 V HA -0.240 3.880 4.120 -0.000 0.000 0.242 164 V C 2.015 178.229 176.094 0.200 0.000 1.035 164 V CA 1.823 64.348 62.300 0.375 0.000 1.013 164 V CB -0.902 31.067 31.823 0.243 0.000 0.652 164 V HN 0.242 nan 8.190 nan 0.000 0.452 165 F N 0.601 120.634 119.950 0.137 0.000 2.234 165 F HA -0.085 4.442 4.527 -0.000 0.000 0.299 165 F C 2.059 177.884 175.800 0.041 0.000 1.087 165 F CA 1.418 59.467 58.000 0.081 0.000 1.340 165 F CB -0.174 38.874 39.000 0.079 0.000 1.031 165 F HN 0.234 nan 8.300 nan 0.000 0.500 166 D N -1.355 119.173 120.400 0.213 0.000 2.369 166 D HA -0.001 4.638 4.640 -0.000 0.000 0.211 166 D C 0.953 177.287 176.300 0.058 0.000 1.077 166 D CA 0.503 54.571 54.000 0.114 0.000 0.842 166 D CB 0.510 41.385 40.800 0.125 0.000 0.947 166 D HN 0.278 nan 8.370 nan 0.000 0.509 167 D N -1.030 119.399 120.400 0.048 0.000 2.887 167 D HA -0.021 4.619 4.640 -0.000 0.000 0.162 167 D C 1.167 177.497 176.300 0.050 0.000 1.495 167 D CA -0.392 53.631 54.000 0.039 0.000 1.531 167 D CB -0.471 40.281 40.800 -0.081 0.000 1.459 167 D HN -0.125 nan 8.370 nan 0.000 0.256 168 F N 2.066 121.952 119.950 -0.107 0.000 2.225 168 F HA -0.105 4.422 4.527 -0.000 0.000 0.302 168 F C 2.090 177.862 175.800 -0.047 0.000 1.068 168 F CA 1.059 59.042 58.000 -0.029 0.000 1.327 168 F CB -0.242 38.826 39.000 0.113 0.000 1.043 168 F HN 0.113 nan 8.300 nan 0.000 0.506 169 I N -0.825 119.684 120.570 -0.101 0.000 2.530 169 I HA -0.349 3.821 4.170 -0.000 0.000 0.257 169 I C 2.468 178.416 176.117 -0.282 0.000 1.179 169 I CA 1.062 62.213 61.300 -0.249 0.000 1.440 169 I CB -0.438 37.419 38.000 -0.238 0.000 1.087 169 I HN 0.140 nan 8.210 nan 0.000 0.440 170 H N 1.452 120.410 119.070 -0.188 0.000 2.253 170 H HA -0.056 4.500 4.556 -0.000 0.000 0.299 170 H C -0.572 174.444 175.328 -0.521 0.000 1.064 170 H CA 2.049 57.961 56.048 -0.226 0.000 1.264 170 H CB -1.882 27.813 29.762 -0.113 0.000 1.371 170 H HN 0.320 nan 8.280 nan 0.000 0.493 171 P HA -0.128 nan 4.420 nan 0.000 0.217 171 P C 2.042 178.971 177.300 -0.619 0.000 1.150 171 P CA 0.918 63.613 63.100 -0.675 0.000 0.832 171 P CB -0.072 31.444 31.700 -0.308 0.000 0.787 172 L N 1.148 121.953 121.223 -0.698 0.000 1.989 172 L HA -0.186 4.154 4.340 -0.000 0.000 0.211 172 L C 2.285 178.958 176.870 -0.329 0.000 1.071 172 L CA 2.437 56.977 54.840 -0.500 0.000 0.749 172 L CB -1.706 40.025 42.059 -0.547 0.000 0.890 172 L HN -0.091 nan 8.230 nan 0.000 0.431 173 D N -1.528 118.598 120.400 -0.456 0.000 2.097 173 D HA -0.188 4.451 4.640 -0.000 0.000 0.195 173 D C 2.040 178.037 176.300 -0.505 0.000 0.989 173 D CA 1.495 55.168 54.000 -0.545 0.000 0.827 173 D CB -0.039 40.179 40.800 -0.969 0.000 0.966 173 D HN 0.365 nan 8.370 nan 0.000 0.456 174 S N -0.936 114.388 115.700 -0.626 0.000 2.440 174 S HA -0.122 4.348 4.470 -0.000 0.000 0.240 174 S C 1.832 176.216 174.600 -0.361 0.000 1.014 174 S CA 0.900 58.679 58.200 -0.702 0.000 0.980 174 S CB -0.007 62.212 63.200 -1.636 0.000 0.775 174 S HN 0.228 nan 8.310 nan 0.000 0.499 175 V N 1.345 121.110 119.914 -0.247 0.000 3.565 175 V HA 0.167 4.287 4.120 -0.000 0.000 0.260 175 V C 0.984 177.060 176.094 -0.030 0.000 1.231 175 V CA 0.216 62.471 62.300 -0.075 0.000 1.100 175 V CB -0.398 31.387 31.823 -0.062 0.000 0.807 175 V HN 0.338 nan 8.190 nan 0.000 0.454 176 N N 1.599 120.310 118.700 0.019 0.000 3.059 176 N HA 0.056 4.795 4.740 -0.000 0.000 0.321 176 N C 0.715 176.268 175.510 0.072 0.000 1.224 176 N CA 0.321 53.471 53.050 0.167 0.000 1.197 176 N CB -0.426 38.086 38.487 0.042 0.000 1.453 176 N HN 0.448 nan 8.380 nan 0.000 0.544 177 L N -0.263 121.005 121.223 0.075 0.000 2.591 177 L HA 0.058 4.398 4.340 -0.000 0.000 0.228 177 L C 1.496 178.415 176.870 0.081 0.000 1.133 177 L CA 0.267 55.135 54.840 0.046 0.000 0.880 177 L CB -0.066 42.005 42.059 0.020 0.000 1.033 177 L HN 0.329 nan 8.230 nan 0.000 0.450 178 S N -1.250 114.542 115.700 0.153 0.000 2.629 178 S HA 0.177 4.647 4.470 -0.000 0.000 0.236 178 S C 0.617 175.284 174.600 0.113 0.000 1.010 178 S CA -0.613 57.680 58.200 0.155 0.000 0.981 178 S CB 0.162 63.516 63.200 0.256 0.000 0.919 178 S HN 0.349 nan 8.310 nan 0.000 0.514 179 R N 0.475 121.022 120.500 0.078 0.000 3.084 179 R HA -0.136 4.204 4.340 -0.000 0.000 0.258 179 R C -0.858 175.425 176.300 -0.028 0.000 0.914 179 R CA 0.371 56.477 56.100 0.009 0.000 0.646 179 R CB -1.787 28.514 30.300 0.001 0.000 1.330 179 R HN 0.546 nan 8.270 nan 0.000 0.465 180 Q N 0.857 120.611 119.800 -0.076 0.000 2.294 180 Q HA 0.250 4.590 4.340 -0.000 0.000 0.257 180 Q C 0.707 176.558 176.000 -0.249 0.000 0.955 180 Q CA -0.230 55.410 55.803 -0.272 0.000 0.936 180 Q CB 0.871 29.167 28.738 -0.737 0.000 1.188 180 Q HN 0.552 nan 8.270 nan 0.000 0.420 181 C N 2.291 121.475 119.300 -0.193 0.000 2.976 181 C HA 0.559 5.019 4.460 -0.000 0.000 0.274 181 C C 0.111 175.025 174.990 -0.127 0.000 1.487 181 C CA -0.203 58.734 59.018 -0.135 0.000 1.789 181 C CB -1.770 25.923 27.740 -0.080 0.000 2.771 181 C HN 0.931 nan 8.230 nan 0.000 0.551 182 N N -0.260 118.331 118.700 -0.181 0.000 3.575 182 N HA 0.366 5.106 4.740 -0.000 0.000 0.343 182 N C -0.441 174.963 175.510 -0.178 0.000 1.574 182 N CA -0.980 51.987 53.050 -0.138 0.000 0.832 182 N CB 0.249 38.679 38.487 -0.094 0.000 2.151 182 N HN 0.024 nan 8.380 nan 0.000 0.552 183 L N -0.432 120.723 121.223 -0.114 0.000 2.857 183 L HA 0.368 4.708 4.340 -0.000 0.000 0.249 183 L C -0.670 176.161 176.870 -0.065 0.000 1.172 183 L CA -0.235 54.550 54.840 -0.091 0.000 0.980 183 L CB -0.396 41.639 42.059 -0.039 0.000 1.299 183 L HN 0.480 nan 8.230 nan 0.000 0.535 184 D N 1.629 121.980 120.400 -0.083 0.000 2.487 184 D HA -0.013 4.627 4.640 -0.000 0.000 0.243 184 D C 0.433 176.725 176.300 -0.013 0.000 1.154 184 D CA 0.726 54.701 54.000 -0.042 0.000 0.876 184 D CB 0.375 41.147 40.800 -0.046 0.000 1.161 184 D HN 0.106 nan 8.370 nan 0.000 0.478 185 D N 1.051 121.471 120.400 0.032 0.000 2.792 185 D HA -0.241 4.399 4.640 -0.000 0.000 0.231 185 D C -0.267 176.114 176.300 0.136 0.000 1.160 185 D CA 0.554 54.601 54.000 0.078 0.000 0.697 185 D CB -0.982 39.869 40.800 0.084 0.000 1.070 185 D HN 0.326 nan 8.370 nan 0.000 0.426 186 L N 0.110 121.403 121.223 0.115 0.000 2.346 186 L HA 0.381 4.721 4.340 -0.000 0.000 0.274 186 L C -0.174 176.825 176.870 0.215 0.000 1.007 186 L CA -0.762 54.191 54.840 0.188 0.000 0.818 186 L CB 2.082 44.165 42.059 0.040 0.000 1.284 186 L HN 0.025 nan 8.230 nan 0.000 0.424 187 H N 6.131 125.286 119.070 0.141 0.000 2.623 187 H HA 0.316 4.872 4.556 -0.000 0.000 0.299 187 H C -1.456 173.939 175.328 0.111 0.000 1.052 187 H CA -0.581 55.522 56.048 0.091 0.000 1.231 187 H CB 1.458 31.252 29.762 0.055 0.000 1.389 187 H HN 0.561 nan 8.280 nan 0.000 0.469 188 L N 5.106 126.233 121.223 -0.160 0.000 2.295 188 L HA 0.366 4.706 4.340 -0.000 0.000 0.285 188 L C -0.714 176.018 176.870 -0.230 0.000 1.035 188 L CA -0.218 54.573 54.840 -0.082 0.000 0.806 188 L CB 1.449 43.520 42.059 0.019 0.000 1.214 188 L HN 0.582 nan 8.230 nan 0.000 0.426 189 T N 3.461 117.958 114.554 -0.095 0.000 2.916 189 T HA 0.648 4.997 4.350 -0.000 0.000 0.305 189 T C -1.550 173.155 174.700 0.009 0.000 1.119 189 T CA -0.347 61.662 62.100 -0.151 0.000 1.008 189 T CB 1.596 70.399 68.868 -0.108 0.000 1.129 189 T HN 0.577 nan 8.240 nan 0.000 0.480 190 Y N -0.050 120.221 120.300 -0.048 0.000 2.788 190 Y HA 0.827 5.377 4.550 -0.000 0.000 0.335 190 Y C -1.105 174.820 175.900 0.041 0.000 1.287 190 Y CA -1.283 56.791 58.100 -0.044 0.000 1.068 190 Y CB 0.972 39.346 38.460 -0.144 0.000 1.340 190 Y HN 0.820 nan 8.280 nan 0.000 0.449 194 E N 2.550 122.719 120.200 -0.051 0.000 3.287 194 E HA -0.250 4.100 4.350 -0.000 0.000 0.405 194 E C 1.000 177.571 176.600 -0.048 0.000 1.541 194 E CA 2.621 59.002 56.400 -0.032 0.000 1.405 194 E CB -1.603 28.090 29.700 -0.013 0.000 1.576 194 E HN 1.113 nan 8.360 nan 0.000 0.474 195 G N -0.006 108.771 108.800 -0.039 0.000 3.453 195 G HA2 0.491 4.451 3.960 -0.000 0.000 0.263 195 G HA3 0.491 4.451 3.960 -0.000 0.000 0.263 195 G C -0.100 174.768 174.900 -0.054 0.000 1.060 195 G CA 0.054 45.127 45.100 -0.045 0.000 0.793 195 G HN 0.125 nan 8.290 nan 0.000 0.532 196 L N -0.451 120.738 121.223 -0.058 0.000 2.271 196 L HA 0.567 4.907 4.340 -0.000 0.000 0.265 196 L C -0.347 176.453 176.870 -0.117 0.000 1.013 196 L CA -1.153 53.650 54.840 -0.062 0.000 0.820 196 L CB 2.008 44.063 42.059 -0.007 0.000 1.352 196 L HN -0.140 nan 8.230 nan 0.000 0.443 197 L N 0.760 121.880 121.223 -0.172 0.000 2.281 197 L HA 0.342 4.682 4.340 -0.000 0.000 0.285 197 L C 0.634 177.392 176.870 -0.187 0.000 1.074 197 L CA 0.005 54.635 54.840 -0.349 0.000 0.817 197 L CB 1.618 43.202 42.059 -0.791 0.000 1.168 197 L HN 0.894 nan 8.230 nan 0.000 0.434 198 A N 6.118 128.901 122.820 -0.061 0.000 1.881 198 A HA 0.145 4.465 4.320 -0.000 0.000 0.210 198 A C 0.676 178.414 177.584 0.257 0.000 1.239 198 A CA 0.326 52.454 52.037 0.151 0.000 0.629 198 A CB 0.233 19.358 19.000 0.209 0.000 0.906 198 A HN 0.795 nan 8.150 nan 0.000 0.460 199 R N -1.505 119.105 120.500 0.184 0.000 2.725 199 R HA 0.750 5.089 4.340 -0.000 0.000 0.277 199 R C -1.837 174.548 176.300 0.142 0.000 0.987 199 R CA -0.629 55.619 56.100 0.248 0.000 0.901 199 R CB 1.314 31.733 30.300 0.198 0.000 1.207 199 R HN 0.208 nan 8.270 nan 0.000 0.463 200 L N 1.690 123.025 121.223 0.187 0.000 2.408 200 L HA 0.564 4.904 4.340 -0.000 0.000 0.268 200 L C -1.651 175.300 176.870 0.135 0.000 0.986 200 L CA -0.270 54.567 54.840 -0.005 0.000 0.820 200 L CB 2.343 44.166 42.059 -0.393 0.000 1.303 200 L HN 0.776 nan 8.230 nan 0.000 0.411 201 D N 4.616 125.120 120.400 0.173 0.000 2.476 201 D HA 0.374 5.014 4.640 -0.000 0.000 0.251 201 D C -1.148 175.360 176.300 0.346 0.000 1.291 201 D CA -0.036 54.181 54.000 0.361 0.000 0.939 201 D CB 2.422 43.430 40.800 0.348 0.000 1.221 201 D HN 0.221 nan 8.370 nan 0.000 0.567 202 V N 2.807 123.050 119.914 0.548 0.000 2.398 202 V HA 0.423 4.542 4.120 -0.000 0.000 0.286 202 V C -0.032 176.382 176.094 0.532 0.000 1.026 202 V CA -0.495 62.108 62.300 0.506 0.000 0.868 202 V CB 1.852 34.049 31.823 0.624 0.000 0.982 202 V HN 0.464 nan 8.190 nan 0.000 0.443 203 Q N 5.421 125.459 119.800 0.397 0.000 2.315 203 Q HA 0.615 4.955 4.340 -0.000 0.000 0.273 203 Q C -1.764 174.476 176.000 0.399 0.000 1.053 203 Q CA -0.757 55.181 55.803 0.225 0.000 0.817 203 Q CB 2.671 31.286 28.738 -0.205 0.000 1.326 203 Q HN 0.820 nan 8.270 nan 0.000 0.423 204 W N 1.594 122.923 121.300 0.049 0.000 3.025 204 W HA 0.560 5.220 4.660 -0.000 0.000 0.343 204 W C -1.966 174.568 176.519 0.025 0.000 1.246 204 W CA -0.879 56.490 57.345 0.040 0.000 1.178 204 W CB 1.260 30.747 29.460 0.045 0.000 1.463 204 W HN 0.709 nan 8.180 nan 0.000 0.578 205 Q N 1.230 121.142 119.800 0.187 0.000 2.330 205 Q HA 0.579 4.919 4.340 -0.000 0.000 0.269 205 Q C -1.272 174.820 176.000 0.154 0.000 1.022 205 Q CA -0.436 55.393 55.803 0.043 0.000 0.796 205 Q CB 2.185 30.938 28.738 0.025 0.000 1.271 205 Q HN 0.487 nan 8.270 nan 0.000 0.450 206 T N 3.820 118.428 114.554 0.090 0.000 2.893 206 T HA 0.578 4.928 4.350 -0.000 0.000 0.324 206 T C 0.300 175.035 174.700 0.058 0.000 1.082 206 T CA 0.363 62.541 62.100 0.130 0.000 0.983 206 T CB 0.831 69.804 68.868 0.176 0.000 1.005 206 T HN 0.996 nan 8.240 nan 0.000 0.475 207 G N 4.015 112.847 108.800 0.053 0.000 2.543 207 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.286 207 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.286 207 G C 0.126 175.036 174.900 0.016 0.000 1.153 207 G CA 0.195 45.314 45.100 0.033 0.000 0.968 207 G HN 0.622 nan 8.290 nan 0.000 0.544 208 D N 1.752 122.157 120.400 0.007 0.000 2.427 208 D HA 0.317 4.957 4.640 -0.000 0.000 0.224 208 D C 0.337 176.622 176.300 -0.026 0.000 1.157 208 D CA 0.818 54.815 54.000 -0.004 0.000 0.828 208 D CB 0.443 41.245 40.800 0.004 0.000 0.974 208 D HN 0.329 nan 8.370 nan 0.000 0.498 209 T N 1.230 115.761 114.554 -0.038 0.000 2.824 209 T HA 0.389 4.739 4.350 -0.000 0.000 0.282 209 T C -0.474 174.153 174.700 -0.121 0.000 0.993 209 T CA -0.597 61.455 62.100 -0.079 0.000 0.967 209 T CB 2.212 71.032 68.868 -0.080 0.000 0.960 209 T HN -0.075 nan 8.240 nan 0.000 0.441 210 L N 4.916 126.055 121.223 -0.141 0.000 2.280 210 L HA 0.590 4.929 4.340 -0.000 0.000 0.287 210 L C -1.128 175.585 176.870 -0.262 0.000 1.023 210 L CA -0.458 54.271 54.840 -0.185 0.000 0.819 210 L CB 0.307 42.298 42.059 -0.113 0.000 1.212 210 L HN 0.578 nan 8.230 nan 0.000 0.420 211 L N 5.420 126.338 121.223 -0.508 0.000 2.325 211 L HA 0.537 4.877 4.340 -0.000 0.000 0.279 211 L C -0.585 176.003 176.870 -0.470 0.000 1.054 211 L CA -0.660 53.795 54.840 -0.640 0.000 0.804 211 L CB 1.346 42.658 42.059 -1.244 0.000 1.200 211 L HN 0.687 nan 8.230 nan 0.000 0.436 212 H N 1.890 120.770 119.070 -0.316 0.000 3.083 212 H HA 0.583 5.139 4.556 -0.000 0.000 0.339 212 H C -1.541 173.812 175.328 0.042 0.000 1.020 212 H CA -0.719 55.277 56.048 -0.086 0.000 1.360 212 H CB 1.788 31.542 29.762 -0.012 0.000 1.811 212 H HN 0.750 nan 8.280 nan 0.000 0.493 213 A N 4.077 127.123 122.820 0.378 0.000 2.304 213 A HA 0.557 4.876 4.320 -0.000 0.000 0.314 213 A C -0.652 177.160 177.584 0.379 0.000 1.187 213 A CA -0.325 51.826 52.037 0.190 0.000 0.810 213 A CB 1.607 20.592 19.000 -0.026 0.000 1.183 213 A HN 0.539 nan 8.150 nan 0.000 0.487 217 R N 1.080 121.752 120.500 0.287 0.000 2.346 217 R HA 0.156 4.496 4.340 -0.000 0.000 0.225 217 R C 0.159 176.596 176.300 0.229 0.000 0.987 217 R CA 0.575 56.821 56.100 0.243 0.000 1.106 217 R CB 0.335 30.774 30.300 0.232 0.000 1.090 217 R HN 0.450 nan 8.270 nan 0.000 0.502 218 Q N -0.024 119.922 119.800 0.242 0.000 2.215 218 Q HA 0.144 4.484 4.340 -0.000 0.000 0.337 218 Q C -1.178 174.978 176.000 0.260 0.000 0.887 218 Q CA -0.275 55.650 55.803 0.202 0.000 1.134 218 Q CB 0.644 29.487 28.738 0.176 0.000 1.303 218 Q HN 0.083 nan 8.270 nan 0.000 0.421 219 F N -0.742 119.275 119.950 0.111 0.000 2.370 219 F HA 0.437 4.964 4.527 -0.000 0.000 0.319 219 F C 1.551 177.457 175.800 0.176 0.000 1.129 219 F CA 0.111 58.162 58.000 0.085 0.000 1.109 219 F CB 1.096 40.129 39.000 0.055 0.000 1.262 219 F HN 0.150 nan 8.300 nan 0.000 0.534 220 G N 2.457 111.000 108.800 -0.429 0.000 2.498 220 G HA2 -0.004 3.956 3.960 -0.000 0.000 0.219 220 G HA3 -0.004 3.956 3.960 -0.000 0.000 0.219 220 G C 0.122 174.913 174.900 -0.182 0.000 1.119 220 G CA 0.792 45.726 45.100 -0.277 0.000 0.766 220 G HN 0.519 nan 8.290 nan 0.000 0.552 221 I N -1.796 118.803 120.570 0.048 0.000 2.984 221 I HA 0.284 4.454 4.170 -0.000 0.000 0.303 221 I C -1.206 175.112 176.117 0.335 0.000 1.381 221 I CA -0.754 60.622 61.300 0.127 0.000 0.988 221 I CB 2.189 40.232 38.000 0.072 0.000 1.307 221 I HN -0.193 nan 8.210 nan 0.000 0.460 222 T N 3.684 118.370 114.554 0.219 0.000 2.728 222 T HA 0.578 4.928 4.350 -0.000 0.000 0.296 222 T C -0.443 174.322 174.700 0.108 0.000 0.940 222 T CA -0.211 62.002 62.100 0.189 0.000 1.013 222 T CB 0.387 69.348 68.868 0.156 0.000 0.912 222 T HN 0.731 nan 8.240 nan 0.000 0.484 223 T N 0.636 115.208 114.554 0.029 0.000 2.739 223 T HA 0.647 4.997 4.350 -0.000 0.000 0.303 223 T C -1.600 172.930 174.700 -0.282 0.000 1.389 223 T CA -1.054 60.985 62.100 -0.102 0.000 1.001 223 T CB 2.265 71.052 68.868 -0.136 0.000 1.436 223 T HN 0.454 nan 8.240 nan 0.000 0.500 224 E N -0.082 119.944 120.200 -0.290 0.000 2.281 224 E HA 0.366 4.716 4.350 -0.000 0.000 0.266 224 E C -1.612 174.869 176.600 -0.198 0.000 0.893 224 E CA -0.659 55.557 56.400 -0.307 0.000 0.798 224 E CB 1.220 30.817 29.700 -0.171 0.000 1.245 224 E HN 0.794 nan 8.360 nan 0.000 0.410 225 H N 1.976 120.833 119.070 -0.354 0.000 2.489 225 H HA 0.485 5.041 4.556 -0.000 0.000 0.343 225 H C -0.819 174.231 175.328 -0.463 0.000 1.086 225 H CA -1.253 54.597 56.048 -0.331 0.000 1.198 225 H CB 2.036 31.662 29.762 -0.226 0.000 1.490 225 H HN 0.115 nan 8.280 nan 0.000 0.504 226 V N 3.318 122.997 119.914 -0.391 0.000 2.495 226 V HA 0.290 4.410 4.120 -0.000 0.000 0.298 226 V C -0.019 175.903 176.094 -0.286 0.000 1.031 226 V CA -0.548 61.397 62.300 -0.592 0.000 0.871 226 V CB 1.776 32.925 31.823 -1.123 0.000 0.988 226 V HN 0.830 nan 8.190 nan 0.000 0.432 227 T N 4.052 118.490 114.554 -0.194 0.000 2.841 227 T HA 0.768 5.118 4.350 -0.000 0.000 0.285 227 T C -0.264 174.412 174.700 -0.039 0.000 0.991 227 T CA -0.322 61.733 62.100 -0.075 0.000 0.966 227 T CB 1.624 70.485 68.868 -0.011 0.000 0.962 227 T HN 0.957 nan 8.240 nan 0.000 0.438 228 A N 2.583 125.418 122.820 0.025 0.000 2.386 228 A HA 0.907 5.227 4.320 -0.000 0.000 0.311 228 A C -0.158 177.475 177.584 0.081 0.000 1.068 228 A CA -0.829 51.219 52.037 0.019 0.000 0.743 228 A CB 1.354 20.387 19.000 0.055 0.000 1.258 228 A HN 0.898 nan 8.150 nan 0.000 0.429 229 S N 0.947 116.597 115.700 -0.083 0.000 2.549 229 S HA 0.879 5.348 4.470 -0.000 0.000 0.280 229 S C -1.104 173.373 174.600 -0.205 0.000 1.109 229 S CA -0.472 57.731 58.200 0.005 0.000 0.905 229 S CB 0.916 64.133 63.200 0.029 0.000 1.081 229 S HN 0.637 nan 8.310 nan 0.000 0.477 230 Y N 0.093 120.448 120.300 0.092 0.000 3.013 230 Y HA 0.510 5.060 4.550 -0.000 0.000 0.310 230 Y C -0.152 175.778 175.900 0.050 0.000 1.450 230 Y CA -1.147 56.997 58.100 0.073 0.000 1.091 230 Y CB 0.482 39.001 38.460 0.098 0.000 1.373 230 Y HN 0.557 nan 8.280 nan 0.000 0.590 231 D N 1.764 122.308 120.400 0.239 0.000 2.325 231 D HA 0.105 4.745 4.640 -0.000 0.000 0.251 231 D C -0.313 176.052 176.300 0.108 0.000 1.196 231 D CA 0.396 54.472 54.000 0.126 0.000 0.866 231 D CB 0.353 41.208 40.800 0.092 0.000 1.101 231 D HN 0.519 nan 8.370 nan 0.000 0.476 232 N N 0.780 119.525 118.700 0.076 0.000 2.713 232 N HA -0.170 4.570 4.740 -0.000 0.000 0.251 232 N C -0.882 174.664 175.510 0.060 0.000 1.117 232 N CA 0.615 53.695 53.050 0.050 0.000 0.770 232 N CB -0.808 37.698 38.487 0.031 0.000 1.137 232 N HN 0.221 nan 8.380 nan 0.000 0.566 233 V N -0.886 119.096 119.914 0.113 0.000 2.808 233 V HA 0.923 5.043 4.120 -0.000 0.000 0.308 233 V C -0.142 176.073 176.094 0.202 0.000 1.099 233 V CA -0.446 61.917 62.300 0.105 0.000 0.920 233 V CB 2.275 34.146 31.823 0.080 0.000 1.014 233 V HN 0.319 nan 8.190 nan 0.000 0.425 234 A N 3.105 125.987 122.820 0.103 0.000 2.594 234 A HA 0.986 5.306 4.320 -0.000 0.000 0.291 234 A C -2.203 175.308 177.584 -0.122 0.000 1.105 234 A CA -0.539 51.620 52.037 0.204 0.000 0.694 234 A CB 1.934 21.133 19.000 0.332 0.000 1.291 234 A HN 0.746 nan 8.150 nan 0.000 0.410 235 Y N -0.888 119.382 120.300 -0.051 0.000 2.534 235 Y HA 0.691 5.241 4.550 -0.000 0.000 0.345 235 Y C -0.631 174.948 175.900 -0.535 0.000 1.031 235 Y CA -0.698 57.123 58.100 -0.464 0.000 1.022 235 Y CB 2.490 40.677 38.460 -0.455 0.000 1.292 235 Y HN 0.677 nan 8.280 nan 0.000 0.459 236 L N 3.975 124.752 121.223 -0.743 0.000 2.555 236 L HA 0.517 4.857 4.340 -0.000 0.000 0.264 236 L C -2.032 174.438 176.870 -0.668 0.000 0.972 236 L CA -0.417 54.097 54.840 -0.543 0.000 0.876 236 L CB 0.645 42.471 42.059 -0.388 0.000 1.216 236 L HN 0.580 nan 8.230 nan 0.000 0.415 237 F N 3.338 123.074 119.950 -0.355 0.000 2.405 237 F HA 0.266 4.793 4.527 -0.000 0.000 0.355 237 F C 1.444 177.066 175.800 -0.297 0.000 1.121 237 F CA -0.588 57.228 58.000 -0.307 0.000 1.112 237 F CB 1.161 39.947 39.000 -0.357 0.000 1.126 237 F HN 0.491 nan 8.300 nan 0.000 0.481 238 D N 0.078 120.418 120.400 -0.101 0.000 2.339 238 D HA 0.060 4.700 4.640 -0.000 0.000 0.217 238 D C 0.355 176.644 176.300 -0.018 0.000 1.050 238 D CA 0.409 54.309 54.000 -0.165 0.000 0.856 238 D CB 0.322 40.982 40.800 -0.232 0.000 0.922 238 D HN 0.471 nan 8.370 nan 0.000 0.518 239 S N -1.381 114.300 115.700 -0.032 0.000 2.694 239 S HA 0.334 4.804 4.470 -0.000 0.000 0.273 239 S C -0.421 174.083 174.600 -0.161 0.000 1.180 239 S CA -0.861 57.229 58.200 -0.183 0.000 0.864 239 S CB -0.386 62.774 63.200 -0.067 0.000 1.198 239 S HN -0.059 nan 8.310 nan 0.000 0.499 240 F N 1.354 121.338 119.950 0.057 0.000 2.776 240 F HA 0.181 4.707 4.527 -0.000 0.000 0.300 240 F C 2.491 178.250 175.800 -0.069 0.000 1.116 240 F CA 0.635 58.559 58.000 -0.127 0.000 1.375 240 F CB 0.492 39.385 39.000 -0.178 0.000 1.109 240 F HN 0.858 nan 8.300 nan 0.000 0.585 241 T N -3.726 110.920 114.554 0.152 0.000 2.969 241 T HA 0.221 4.570 4.350 -0.000 0.000 0.250 241 T C 0.580 175.370 174.700 0.151 0.000 1.021 241 T CA -0.020 62.157 62.100 0.129 0.000 1.003 241 T CB 0.228 69.151 68.868 0.091 0.000 1.040 241 T HN 0.072 nan 8.240 nan 0.000 0.492 242 Q N -0.107 119.791 119.800 0.163 0.000 2.413 242 Q HA 0.695 5.035 4.340 -0.000 0.000 0.276 242 Q C -0.916 175.209 176.000 0.208 0.000 1.099 242 Q CA -1.077 54.811 55.803 0.142 0.000 0.814 242 Q CB 2.391 31.159 28.738 0.051 0.000 1.379 242 Q HN 0.551 nan 8.270 nan 0.000 0.436 243 G N 0.886 109.724 108.800 0.064 0.000 2.601 243 G HA2 0.455 4.414 3.960 -0.000 0.000 0.291 243 G HA3 0.455 4.414 3.960 -0.000 0.000 0.291 243 G C -1.704 172.937 174.900 -0.431 0.000 1.456 243 G CA -0.772 44.190 45.100 -0.229 0.000 0.804 243 G HN 0.502 nan 8.290 nan 0.000 0.499 247 R N 3.041 123.552 120.500 0.017 0.000 2.584 247 R HA 0.368 4.708 4.340 -0.000 0.000 0.276 247 R C -0.043 176.256 176.300 -0.001 0.000 1.046 247 R CA -0.358 55.730 56.100 -0.021 0.000 0.906 247 R CB 1.250 31.504 30.300 -0.077 0.000 1.215 247 R HN 0.376 nan 8.270 nan 0.000 0.449 248 D N 2.716 123.115 120.400 -0.001 0.000 2.772 248 D HA -0.225 4.415 4.640 -0.000 0.000 0.233 248 D C -0.433 175.866 176.300 -0.001 0.000 1.143 248 D CA 1.590 55.589 54.000 -0.002 0.000 0.700 248 D CB -0.871 39.926 40.800 -0.005 0.000 1.076 248 D HN 0.884 nan 8.370 nan 0.000 0.430 249 N N -0.266 118.435 118.700 0.000 0.000 2.735 249 N HA -0.251 4.489 4.740 -0.000 0.000 0.248 249 N C -0.879 174.639 175.510 0.012 0.000 1.083 249 N CA 1.528 54.572 53.050 -0.010 0.000 0.703 249 N CB -0.383 38.090 38.487 -0.025 0.000 1.005 249 N HN 0.615 nan 8.380 nan 0.000 0.550 250 Q N -0.273 119.555 119.800 0.046 0.000 2.423 250 Q HA 0.408 4.748 4.340 -0.000 0.000 0.278 250 Q C -0.913 175.163 176.000 0.127 0.000 1.097 250 Q CA -0.842 54.995 55.803 0.056 0.000 0.809 250 Q CB 2.149 30.898 28.738 0.018 0.000 1.391 250 Q HN 0.362 nan 8.270 nan 0.000 0.428 251 E N 1.159 121.433 120.200 0.123 0.000 2.176 251 E HA 0.490 4.840 4.350 -0.000 0.000 0.267 251 E C -1.398 175.168 176.600 -0.056 0.000 0.893 251 E CA -0.404 56.055 56.400 0.098 0.000 0.761 251 E CB 1.200 31.039 29.700 0.231 0.000 1.133 251 E HN 0.620 nan 8.360 nan 0.000 0.409 252 S N 3.631 119.227 115.700 -0.173 0.000 2.599 252 S HA 0.531 5.001 4.470 -0.000 0.000 0.287 252 S C -0.527 173.944 174.600 -0.214 0.000 1.105 252 S CA -1.154 56.958 58.200 -0.147 0.000 0.899 252 S CB 1.668 64.802 63.200 -0.111 0.000 1.100 252 S HN 0.633 nan 8.310 nan 0.000 0.482 253 R N 0.714 121.128 120.500 -0.143 0.000 2.349 253 R HA 0.630 4.970 4.340 -0.000 0.000 0.299 253 R C -0.937 175.302 176.300 -0.101 0.000 1.027 253 R CA -0.642 55.374 56.100 -0.140 0.000 0.958 253 R CB 0.756 31.009 30.300 -0.079 0.000 1.047 253 R HN 0.738 nan 8.270 nan 0.000 0.468 254 V N 1.242 121.086 119.914 -0.116 0.000 2.444 254 V HA 0.921 5.041 4.120 -0.000 0.000 0.294 254 V C -0.610 175.537 176.094 0.090 0.000 1.022 254 V CA -0.674 61.609 62.300 -0.028 0.000 0.850 254 V CB 1.139 32.820 31.823 -0.235 0.000 0.992 254 V HN 0.939 nan 8.190 nan 0.000 0.426 255 A N 4.368 127.279 122.820 0.152 0.000 2.532 255 A HA 0.911 5.231 4.320 -0.000 0.000 0.290 255 A C -1.055 176.635 177.584 0.177 0.000 1.143 255 A CA -0.928 51.204 52.037 0.159 0.000 0.728 255 A CB 1.799 20.856 19.000 0.095 0.000 1.317 255 A HN 1.279 nan 8.150 nan 0.000 0.414 256 L N 0.717 122.028 121.223 0.146 0.000 2.397 256 L HA 0.353 4.693 4.340 -0.000 0.000 0.271 256 L C 0.674 177.603 176.870 0.099 0.000 1.148 256 L CA 0.125 55.036 54.840 0.119 0.000 0.825 256 L CB 0.319 42.434 42.059 0.093 0.000 1.117 256 L HN 0.722 nan 8.230 nan 0.000 0.456 257 K N 2.218 122.674 120.400 0.093 0.000 2.518 257 K HA -0.062 4.258 4.320 -0.000 0.000 0.276 257 K C -0.314 176.351 176.600 0.108 0.000 0.974 257 K CA 0.041 56.385 56.287 0.095 0.000 0.986 257 K CB 0.265 32.817 32.500 0.086 0.000 0.901 257 K HN 0.708 nan 8.250 nan 0.000 0.497 258 D N 1.156 121.637 120.400 0.135 0.000 2.357 258 D HA -0.014 4.626 4.640 -0.000 0.000 0.242 258 D C -0.419 176.057 176.300 0.293 0.000 1.153 258 D CA 0.377 54.476 54.000 0.165 0.000 0.918 258 D CB 0.297 41.225 40.800 0.213 0.000 1.181 258 D HN 0.569 nan 8.370 nan 0.000 0.435 259 W N -0.144 121.164 121.300 0.013 0.000 3.456 259 W HA -0.228 4.432 4.660 -0.000 0.000 0.314 259 W C -0.026 176.496 176.519 0.005 0.000 1.192 259 W CA 0.510 57.859 57.345 0.007 0.000 0.654 259 W CB -2.426 27.035 29.460 0.002 0.000 2.251 259 W HN 0.212 nan 8.180 nan 0.000 1.360 260 T N 1.823 116.457 114.554 0.133 0.000 2.780 260 T HA 0.346 4.696 4.350 -0.000 0.000 0.294 260 T C -0.485 174.245 174.700 0.049 0.000 0.949 260 T CA -0.940 61.215 62.100 0.092 0.000 1.074 260 T CB 0.996 69.904 68.868 0.068 0.000 0.910 260 T HN -0.115 nan 8.240 nan 0.000 0.501 264 A N 0.818 123.666 122.820 0.045 0.000 1.902 264 A HA -0.209 4.110 4.320 -0.000 0.000 0.217 264 A C 2.325 179.924 177.584 0.024 0.000 1.181 264 A CA 2.438 54.511 52.037 0.059 0.000 0.623 264 A CB -0.566 18.462 19.000 0.046 0.000 0.818 264 A HN 0.560 nan 8.150 nan 0.000 0.443 265 S N -0.058 115.646 115.700 0.007 0.000 2.399 265 S HA -0.127 4.343 4.470 -0.000 0.000 0.231 265 S C 1.456 175.970 174.600 -0.143 0.000 1.022 265 S CA 1.418 59.603 58.200 -0.025 0.000 0.983 265 S CB -0.389 62.829 63.200 0.029 0.000 0.803 265 S HN 0.570 nan 8.310 nan 0.000 0.480 266 K N 0.954 121.285 120.400 -0.115 0.000 2.546 266 K HA 0.224 4.544 4.320 -0.000 0.000 0.198 266 K C 1.222 177.682 176.600 -0.232 0.000 1.028 266 K CA 0.357 56.464 56.287 -0.299 0.000 1.150 266 K CB -0.487 32.035 32.500 0.036 0.000 0.876 266 K HN 0.594 nan 8.250 nan 0.000 0.508 267 G N 1.103 109.815 108.800 -0.147 0.000 2.175 267 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.265 267 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.265 267 G C 0.648 175.498 174.900 -0.082 0.000 0.979 267 G CA 0.315 45.354 45.100 -0.101 0.000 0.663 267 G HN 0.316 nan 8.290 nan 0.000 0.533 268 F N 1.076 120.971 119.950 -0.092 0.000 2.084 268 F HA 0.046 4.573 4.527 -0.000 0.000 0.296 268 F C 2.514 178.301 175.800 -0.021 0.000 1.111 268 F CA 1.810 59.758 58.000 -0.087 0.000 1.224 268 F CB -0.364 38.529 39.000 -0.178 0.000 0.991 268 F HN 0.123 nan 8.300 nan 0.000 0.471 269 D N 0.461 120.985 120.400 0.207 0.000 2.123 269 D HA -0.101 4.539 4.640 -0.000 0.000 0.196 269 D C 1.427 177.832 176.300 0.175 0.000 0.992 269 D CA 1.235 55.367 54.000 0.220 0.000 0.833 269 D CB -0.831 40.074 40.800 0.176 0.000 0.954 269 D HN 0.193 nan 8.370 nan 0.000 0.455 273 Q N 1.876 121.622 119.800 -0.090 0.000 2.002 273 Q HA -0.266 4.074 4.340 -0.000 0.000 0.204 273 Q C 1.697 177.624 176.000 -0.121 0.000 0.988 273 Q CA 3.038 58.827 55.803 -0.023 0.000 0.843 273 Q CB -0.437 28.412 28.738 0.186 0.000 0.908 273 Q HN 0.638 nan 8.270 nan 0.000 0.420 274 D N -0.541 119.809 120.400 -0.084 0.000 2.116 274 D HA -0.215 4.425 4.640 -0.000 0.000 0.193 274 D C 1.525 177.717 176.300 -0.179 0.000 0.998 274 D CA 1.673 55.653 54.000 -0.032 0.000 0.836 274 D CB -0.580 40.289 40.800 0.115 0.000 0.951 274 D HN 0.602 nan 8.370 nan 0.000 0.449 275 W N 1.026 121.953 121.300 -0.623 0.000 2.317 275 W HA -0.248 4.412 4.660 -0.000 0.000 0.318 275 W C 1.699 177.900 176.519 -0.530 0.000 1.227 275 W CA 0.800 57.605 57.345 -0.902 0.000 1.269 275 W CB -0.522 28.391 29.460 -0.912 0.000 1.155 275 W HN 0.037 nan 8.180 nan 0.000 0.484 276 L N 0.981 121.677 121.223 -0.879 0.000 2.042 276 L HA -0.288 4.052 4.340 -0.000 0.000 0.210 276 L C 2.883 179.382 176.870 -0.618 0.000 1.076 276 L CA 1.777 56.024 54.840 -0.988 0.000 0.749 276 L CB -1.129 40.422 42.059 -0.846 0.000 0.893 276 L HN 0.134 nan 8.230 nan 0.000 0.432 277 Q N -0.510 119.067 119.800 -0.371 0.000 2.061 277 Q HA -0.196 4.144 4.340 -0.000 0.000 0.204 277 Q C 2.381 178.261 176.000 -0.199 0.000 0.984 277 Q CA 1.656 57.337 55.803 -0.205 0.000 0.846 277 Q CB -0.403 28.285 28.738 -0.083 0.000 0.902 277 Q HN 0.338 nan 8.270 nan 0.000 0.421 278 V N 1.262 121.062 119.914 -0.190 0.000 2.255 278 V HA -0.334 3.786 4.120 -0.000 0.000 0.247 278 V C 2.354 178.328 176.094 -0.199 0.000 1.051 278 V CA 1.998 64.247 62.300 -0.085 0.000 1.018 278 V CB -1.116 30.762 31.823 0.093 0.000 0.641 278 V HN 0.457 nan 8.190 nan 0.000 0.445 279 A N -0.067 122.437 122.820 -0.527 0.000 1.883 279 A HA -0.167 4.152 4.320 -0.000 0.000 0.217 279 A C 2.310 179.685 177.584 -0.348 0.000 1.186 279 A CA 2.259 53.934 52.037 -0.603 0.000 0.624 279 A CB -0.836 17.407 19.000 -1.260 0.000 0.822 279 A HN 0.649 nan 8.150 nan 0.000 0.444 280 A N -1.220 121.397 122.820 -0.338 0.000 2.209 280 A HA 0.407 4.727 4.320 -0.000 0.000 0.212 280 A C 1.952 179.462 177.584 -0.123 0.000 1.158 280 A CA 1.474 53.386 52.037 -0.208 0.000 0.742 280 A CB -0.470 18.412 19.000 -0.197 0.000 0.790 280 A HN 1.074 nan 8.150 nan 0.000 0.472 281 A N -1.962 120.793 122.820 -0.107 0.000 2.390 281 A HA 0.459 4.779 4.320 -0.000 0.000 0.232 281 A C 1.680 179.253 177.584 -0.019 0.000 1.233 281 A CA 0.951 52.960 52.037 -0.048 0.000 0.907 281 A CB -0.628 18.356 19.000 -0.026 0.000 0.967 281 A HN 1.644 nan 8.150 nan 0.000 0.512 282 G N 0.175 108.959 108.800 -0.028 0.000 2.269 282 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.277 282 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.277 282 G C 0.086 175.022 174.900 0.059 0.000 1.008 282 G CA 1.245 46.356 45.100 0.019 0.000 0.774 282 G HN 0.639 nan 8.290 nan 0.000 0.511 283 K N -1.346 119.091 120.400 0.063 0.000 2.502 283 K HA 0.717 5.037 4.320 -0.000 0.000 0.257 283 K C -1.282 175.395 176.600 0.128 0.000 0.938 283 K CA -1.118 55.225 56.287 0.093 0.000 0.819 283 K CB 2.540 35.081 32.500 0.069 0.000 1.333 283 K HN 0.170 nan 8.250 nan 0.000 0.434 284 L N 3.687 125.001 121.223 0.152 0.000 2.446 284 L HA 0.411 4.750 4.340 -0.000 0.000 0.268 284 L C -2.521 174.424 176.870 0.123 0.000 0.975 284 L CA -1.667 53.280 54.840 0.179 0.000 0.848 284 L CB 1.166 43.370 42.059 0.242 0.000 1.225 284 L HN 0.457 nan 8.230 nan 0.000 0.410 285 P HA -0.024 nan 4.420 nan 0.000 0.265 285 P C 0.430 177.754 177.300 0.040 0.000 1.167 285 P CA 0.252 63.420 63.100 0.114 0.000 0.760 285 P CB 0.442 32.256 31.700 0.191 0.000 0.783 286 T N 1.660 116.279 114.554 0.108 0.000 2.684 286 T HA -0.200 4.150 4.350 -0.000 0.000 0.267 286 T C 1.682 176.398 174.700 0.028 0.000 1.036 286 T CA 1.968 64.105 62.100 0.061 0.000 1.148 286 T CB -0.901 68.018 68.868 0.084 0.000 0.863 286 T HN 0.676 nan 8.240 nan 0.000 0.436 287 H N 0.971 120.041 119.070 -0.001 0.000 2.489 287 H HA 0.039 4.595 4.556 -0.000 0.000 0.295 287 H C 2.083 177.394 175.328 -0.029 0.000 1.082 287 H CA 0.973 57.013 56.048 -0.013 0.000 1.295 287 H CB -0.784 28.979 29.762 0.002 0.000 1.380 287 H HN 0.379 nan 8.280 nan 0.000 0.548 288 I N 0.787 121.036 120.570 -0.535 0.000 2.206 288 I HA -0.190 3.980 4.170 -0.000 0.000 0.239 288 I C 2.644 178.619 176.117 -0.237 0.000 1.078 288 I CA 0.840 61.900 61.300 -0.399 0.000 1.367 288 I CB -0.151 37.630 38.000 -0.364 0.000 1.078 288 I HN 0.098 nan 8.210 nan 0.000 0.413 289 I N 0.860 121.294 120.570 -0.227 0.000 2.113 289 I HA -0.345 3.824 4.170 -0.000 0.000 0.242 289 I C 2.456 178.351 176.117 -0.370 0.000 1.064 289 I CA 1.692 62.764 61.300 -0.380 0.000 1.320 289 I CB -0.605 37.171 38.000 -0.373 0.000 1.028 289 I HN 0.265 nan 8.210 nan 0.000 0.406 290 E N 0.360 120.429 120.200 -0.219 0.000 2.118 290 E HA -0.287 4.063 4.350 -0.000 0.000 0.195 290 E C 2.315 178.842 176.600 -0.123 0.000 0.992 290 E CA 1.229 57.540 56.400 -0.149 0.000 0.804 290 E CB -0.211 29.448 29.700 -0.069 0.000 0.741 290 E HN 0.417 nan 8.360 nan 0.000 0.458 291 R N 0.809 121.237 120.500 -0.120 0.000 2.075 291 R HA -0.109 4.231 4.340 -0.000 0.000 0.232 291 R C 1.978 178.214 176.300 -0.107 0.000 1.126 291 R CA 1.218 57.250 56.100 -0.113 0.000 0.963 291 R CB 0.028 30.251 30.300 -0.129 0.000 0.858 291 R HN 0.112 nan 8.270 nan 0.000 0.435 292 N N 0.965 119.615 118.700 -0.083 0.000 2.043 292 N HA -0.195 4.545 4.740 -0.000 0.000 0.193 292 N C 1.983 177.601 175.510 0.180 0.000 1.037 292 N CA 1.492 54.607 53.050 0.107 0.000 0.851 292 N CB -0.361 38.182 38.487 0.094 0.000 1.027 292 N HN 0.221 nan 8.380 nan 0.000 0.422 293 L N 1.183 122.385 121.223 -0.035 0.000 1.971 293 L HA -0.207 4.133 4.340 -0.000 0.000 0.215 293 L C 2.607 179.508 176.870 0.051 0.000 1.072 293 L CA 1.509 56.355 54.840 0.010 0.000 0.758 293 L CB -0.675 41.322 42.059 -0.103 0.000 0.889 293 L HN 0.131 nan 8.230 nan 0.000 0.433 294 A N -0.579 122.228 122.820 -0.022 0.000 1.903 294 A HA -0.275 4.044 4.320 -0.000 0.000 0.219 294 A C 2.471 180.018 177.584 -0.063 0.000 1.191 294 A CA 2.515 54.524 52.037 -0.048 0.000 0.638 294 A CB -0.878 18.079 19.000 -0.072 0.000 0.823 294 A HN 0.445 nan 8.150 nan 0.000 0.451 295 S N -1.047 114.603 115.700 -0.082 0.000 2.382 295 S HA -0.163 4.307 4.470 -0.000 0.000 0.228 295 S C 1.786 176.265 174.600 -0.202 0.000 1.027 295 S CA 1.721 59.810 58.200 -0.186 0.000 0.991 295 S CB -0.492 62.511 63.200 -0.329 0.000 0.823 295 S HN 0.806 nan 8.310 nan 0.000 0.469 296 H N 1.196 120.243 119.070 -0.037 0.000 2.436 296 H HA 0.119 4.675 4.556 -0.000 0.000 0.294 296 H C 2.361 177.689 175.328 0.000 0.000 1.048 296 H CA 1.042 57.082 56.048 -0.015 0.000 1.353 296 H CB -0.071 29.766 29.762 0.124 0.000 1.414 296 H HN 0.405 nan 8.280 nan 0.000 0.536 297 Q N 0.035 119.902 119.800 0.111 0.000 2.119 297 Q HA -0.089 4.251 4.340 -0.000 0.000 0.201 297 Q C 2.148 178.149 176.000 0.001 0.000 0.972 297 Q CA 0.801 56.644 55.803 0.067 0.000 0.847 297 Q CB 0.073 28.829 28.738 0.030 0.000 0.903 297 Q HN 0.445 nan 8.270 nan 0.000 0.433 298 L N 0.228 121.411 121.223 -0.067 0.000 2.056 298 L HA -0.162 4.178 4.340 -0.000 0.000 0.207 298 L C 2.304 179.119 176.870 -0.091 0.000 1.078 298 L CA 1.087 55.861 54.840 -0.110 0.000 0.749 298 L CB -0.430 41.523 42.059 -0.177 0.000 0.901 298 L HN 0.232 nan 8.230 nan 0.000 0.433 299 A N -0.643 122.075 122.820 -0.171 0.000 1.908 299 A HA -0.235 4.085 4.320 -0.000 0.000 0.218 299 A C 2.120 179.638 177.584 -0.110 0.000 1.181 299 A CA 1.573 53.435 52.037 -0.292 0.000 0.627 299 A CB -0.477 18.020 19.000 -0.838 0.000 0.818 299 A HN 0.413 nan 8.150 nan 0.000 0.445 300 E N -0.048 120.193 120.200 0.069 0.000 2.038 300 E HA -0.183 4.167 4.350 -0.000 0.000 0.195 300 E C 2.432 179.108 176.600 0.127 0.000 1.000 300 E CA 1.367 57.932 56.400 0.274 0.000 0.803 300 E CB -0.607 29.244 29.700 0.251 0.000 0.750 300 E HN 0.516 nan 8.360 nan 0.000 0.448 301 A N 1.201 124.052 122.820 0.052 0.000 1.892 301 A HA -0.208 4.112 4.320 -0.000 0.000 0.218 301 A C 2.403 179.991 177.584 0.007 0.000 1.188 301 A CA 1.707 53.753 52.037 0.015 0.000 0.631 301 A CB -0.826 18.162 19.000 -0.019 0.000 0.822 301 A HN 0.258 nan 8.150 nan 0.000 0.447 302 I N -0.784 119.786 120.570 0.001 0.000 2.163 302 I HA -0.347 3.823 4.170 -0.000 0.000 0.243 302 I C 2.605 178.698 176.117 -0.040 0.000 1.085 302 I CA 1.298 62.588 61.300 -0.017 0.000 1.347 302 I CB -0.586 37.412 38.000 -0.003 0.000 1.044 302 I HN 0.403 nan 8.210 nan 0.000 0.408 303 C N 0.311 119.622 119.300 0.018 0.000 2.413 303 C HA -0.195 4.265 4.460 -0.000 0.000 0.276 303 C C 2.900 177.877 174.990 -0.022 0.000 1.236 303 C CA 1.047 60.077 59.018 0.021 0.000 1.735 303 C CB -1.065 26.775 27.740 0.166 0.000 2.031 303 C HN 0.518 nan 8.230 nan 0.000 0.474 304 Q N -0.191 119.613 119.800 0.006 0.000 1.993 304 Q HA -0.271 4.069 4.340 -0.000 0.000 0.202 304 Q C 2.320 178.303 176.000 -0.029 0.000 0.984 304 Q CA 1.705 57.504 55.803 -0.008 0.000 0.837 304 Q CB -0.392 28.352 28.738 0.009 0.000 0.902 304 Q HN 0.693 nan 8.270 nan 0.000 0.423 305 Q N 0.446 120.232 119.800 -0.023 0.000 2.197 305 Q HA -0.215 4.125 4.340 -0.000 0.000 0.207 305 Q C 1.882 177.860 176.000 -0.037 0.000 0.984 305 Q CA 1.289 57.084 55.803 -0.014 0.000 0.869 305 Q CB -0.051 28.690 28.738 0.006 0.000 0.906 305 Q HN 0.412 nan 8.270 nan 0.000 0.426 306 I N -0.591 119.899 120.570 -0.134 0.000 2.162 306 I HA -0.231 3.939 4.170 -0.000 0.000 0.238 306 I C 2.272 178.270 176.117 -0.199 0.000 1.076 306 I CA 1.353 62.467 61.300 -0.310 0.000 1.353 306 I CB -0.635 37.005 38.000 -0.599 0.000 1.063 306 I HN 0.162 nan 8.210 nan 0.000 0.408 307 T N 0.513 114.974 114.554 -0.155 0.000 2.685 307 T HA -0.319 4.030 4.350 -0.000 0.000 0.268 307 T C 1.797 176.461 174.700 -0.060 0.000 1.034 307 T CA 1.871 63.911 62.100 -0.100 0.000 1.149 307 T CB -0.367 68.460 68.868 -0.068 0.000 0.860 307 T HN 0.423 nan 8.240 nan 0.000 0.449 308 Q N 0.802 120.577 119.800 -0.042 0.000 1.942 308 Q HA -0.173 4.167 4.340 -0.000 0.000 0.203 308 Q C 2.384 178.382 176.000 -0.003 0.000 0.987 308 Q CA 1.556 57.348 55.803 -0.018 0.000 0.844 308 Q CB -0.288 28.445 28.738 -0.008 0.000 0.911 308 Q HN 0.563 nan 8.270 nan 0.000 0.423 309 Q N -0.392 119.417 119.800 0.016 0.000 2.268 309 Q HA -0.166 4.174 4.340 -0.000 0.000 0.210 309 Q C 2.066 178.099 176.000 0.055 0.000 0.988 309 Q CA 1.594 57.430 55.803 0.054 0.000 0.883 309 Q CB 0.076 28.890 28.738 0.126 0.000 0.911 309 Q HN 0.281 nan 8.270 nan 0.000 0.430 310 V N -0.053 119.875 119.914 0.023 0.000 2.331 310 V HA -0.190 3.930 4.120 -0.000 0.000 0.242 310 V C 2.483 178.576 176.094 -0.002 0.000 1.034 310 V CA 1.977 64.285 62.300 0.013 0.000 1.027 310 V CB -0.772 31.030 31.823 -0.035 0.000 0.667 310 V HN 0.566 nan 8.190 nan 0.000 0.457 311 T N -1.416 113.130 114.554 -0.014 0.000 2.881 311 T HA -0.179 4.171 4.350 -0.000 0.000 0.270 311 T C 1.199 175.896 174.700 -0.005 0.000 1.068 311 T CA 0.967 63.059 62.100 -0.013 0.000 1.131 311 T CB -0.153 68.704 68.868 -0.018 0.000 0.871 311 T HN 0.438 nan 8.240 nan 0.000 0.479 312 K N 0.000 120.400 120.400 0.000 0.000 2.780 312 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 312 K CA 0.000 56.289 56.287 0.004 0.000 0.838 312 K CB 0.000 32.506 32.500 0.010 0.000 1.064 312 K HN 0.000 nan 8.250 nan 0.000 0.543