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 2ozg_1_A DATA FIRST_RESID 8 DATA SEQUENCE RFKYTKASQE NIQQLGNILE QCFVXSFGDS EIYVKGIGLE NFRVIYREQK DATA SEQUENCE VAGGLAILPX GQWWGGQRVP XAGIAAVGIA PEYRGDGAAI ALIQHTLQEI DATA SEQUENCE SEQDIPISVL YPATQRLYRK AGYEQAGSSC VWEIPTDSIQ IQHASLPLEP DATA SEQUENCE VVLKNNPIFH ELYQQQAQLT HGYLDRHPAI WQGLNRTLDT ETLYSYLIGD DATA SEQUENCE KDKPQGYIIF TQERTRDGSI LRIRDWVTLS NPAVQSFWTF IANHRSQIDK DATA SEQUENCE VTWKSSVIDA LTLLLPEQSA TIRSQDRWXL RIVNVCKALE ARGYPLGVEA DATA SEQUENCE ELHLEVQDDL LATNQGKFIL SVANGKSEVT KGGKGELQLD IKGLASLYTS DATA SEQUENCE LFTPRQLQLT GKLQATETAL LKATQIFAGE SPWXIDFF 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 8 R HA 0.000 nan 4.340 nan 0.000 0.208 8 R C 0.000 176.123 176.300 -0.295 0.000 0.893 8 R CA 0.000 55.948 56.100 -0.254 0.000 0.921 8 R CB 0.000 30.043 30.300 -0.428 0.000 0.687 9 F N 3.070 123.065 119.950 0.075 0.000 2.427 9 F HA 0.510 5.037 4.527 0.001 0.000 0.346 9 F C 0.027 175.890 175.800 0.105 0.000 1.120 9 F CA -0.433 57.624 58.000 0.095 0.000 1.033 9 F CB 1.588 40.664 39.000 0.126 0.000 1.126 9 F HN -0.146 nan 8.300 nan 0.000 0.462 10 K N 3.600 124.174 120.400 0.291 0.000 2.244 10 K HA 0.349 4.669 4.320 0.000 0.000 0.260 10 K C -1.834 174.881 176.600 0.190 0.000 0.951 10 K CA -0.723 55.661 56.287 0.161 0.000 0.826 10 K CB 1.356 33.900 32.500 0.073 0.000 1.108 10 K HN 0.671 nan 8.250 nan 0.000 0.433 11 Y N 3.070 123.278 120.300 -0.154 0.000 2.330 11 Y HA 0.354 4.904 4.550 -0.000 0.000 0.336 11 Y C -0.572 175.302 175.900 -0.043 0.000 1.036 11 Y CA 0.023 58.028 58.100 -0.160 0.000 1.125 11 Y CB 1.311 39.462 38.460 -0.516 0.000 1.194 11 Y HN 0.728 nan 8.280 nan 0.000 0.469 12 T N 2.586 116.911 114.554 -0.382 0.000 2.816 12 T HA 0.508 4.859 4.350 0.000 0.000 0.299 12 T C -1.264 173.225 174.700 -0.352 0.000 1.230 12 T CA -1.325 60.609 62.100 -0.277 0.000 1.007 12 T CB 1.433 70.302 68.868 0.001 0.000 1.289 12 T HN 0.596 nan 8.240 nan 0.000 0.508 13 K N 0.833 121.116 120.400 -0.195 0.000 2.237 13 K HA 0.637 4.957 4.320 0.000 0.000 0.270 13 K C 0.530 177.101 176.600 -0.049 0.000 1.015 13 K CA -0.597 55.614 56.287 -0.126 0.000 0.949 13 K CB 0.908 33.369 32.500 -0.065 0.000 0.976 13 K HN 0.835 nan 8.250 nan 0.000 0.472 14 A N 1.550 124.366 122.820 -0.007 0.000 2.425 14 A HA 0.276 4.596 4.320 0.000 0.000 0.242 14 A C 0.094 177.686 177.584 0.013 0.000 1.077 14 A CA -0.025 52.020 52.037 0.013 0.000 0.781 14 A CB 0.189 19.213 19.000 0.041 0.000 1.020 14 A HN 0.756 nan 8.150 nan 0.000 0.494 15 S N 0.042 115.747 115.700 0.010 0.000 2.685 15 S HA 0.403 4.873 4.470 0.000 0.000 0.282 15 S C 0.352 174.951 174.600 -0.001 0.000 1.159 15 S CA -0.673 57.532 58.200 0.009 0.000 0.833 15 S CB 1.136 64.348 63.200 0.020 0.000 1.151 15 S HN 0.574 nan 8.310 nan 0.000 0.485 16 Q N 0.274 120.073 119.800 -0.002 0.000 2.297 16 Q HA -0.115 4.225 4.340 0.000 0.000 0.208 16 Q C 1.467 177.467 176.000 0.000 0.000 0.981 16 Q CA 1.681 57.480 55.803 -0.007 0.000 0.876 16 Q CB -0.350 28.385 28.738 -0.004 0.000 0.921 16 Q HN 0.844 nan 8.270 nan 0.000 0.446 17 E N 1.139 121.347 120.200 0.015 0.000 2.216 17 E HA -0.116 4.234 4.350 0.000 0.000 0.192 17 E C 0.917 177.540 176.600 0.038 0.000 0.988 17 E CA 1.264 57.681 56.400 0.029 0.000 0.834 17 E CB 0.149 29.874 29.700 0.043 0.000 0.772 17 E HN 0.485 nan 8.360 nan 0.000 0.479 18 N N -1.239 117.477 118.700 0.027 0.000 2.143 18 N HA 0.003 4.743 4.740 0.000 0.000 0.222 18 N C 1.043 176.526 175.510 -0.045 0.000 1.264 18 N CA -0.059 52.994 53.050 0.006 0.000 0.897 18 N CB -0.353 38.149 38.487 0.025 0.000 1.092 18 N HN 0.063 nan 8.380 nan 0.000 0.516 19 I N 1.111 121.646 120.570 -0.058 0.000 2.493 19 I HA -0.049 4.121 4.170 0.000 0.000 0.254 19 I C 1.921 177.968 176.117 -0.117 0.000 1.160 19 I CA 1.452 62.681 61.300 -0.118 0.000 1.445 19 I CB -0.198 37.721 38.000 -0.134 0.000 1.086 19 I HN 0.199 nan 8.210 nan 0.000 0.433 20 Q N -0.544 119.214 119.800 -0.070 0.000 2.083 20 Q HA -0.221 4.119 4.340 0.000 0.000 0.198 20 Q C 2.222 178.200 176.000 -0.036 0.000 0.969 20 Q CA 1.547 57.318 55.803 -0.052 0.000 0.838 20 Q CB -0.140 28.584 28.738 -0.024 0.000 0.900 20 Q HN 0.573 nan 8.270 nan 0.000 0.436 21 Q N 0.303 120.087 119.800 -0.026 0.000 2.050 21 Q HA -0.189 4.151 4.340 0.000 0.000 0.202 21 Q C 2.073 178.058 176.000 -0.026 0.000 0.980 21 Q CA 1.240 57.035 55.803 -0.013 0.000 0.840 21 Q CB -0.162 28.569 28.738 -0.012 0.000 0.898 21 Q HN 0.233 nan 8.270 nan 0.000 0.424 22 L N 0.285 121.473 121.223 -0.059 0.000 2.046 22 L HA -0.068 4.272 4.340 0.000 0.000 0.208 22 L C 2.059 178.905 176.870 -0.040 0.000 1.077 22 L CA 2.323 57.130 54.840 -0.055 0.000 0.747 22 L CB -1.075 40.929 42.059 -0.091 0.000 0.896 22 L HN 0.219 nan 8.230 nan 0.000 0.432 23 G N -0.719 108.031 108.800 -0.084 0.000 2.440 23 G HA2 -0.333 3.627 3.960 0.000 0.000 0.218 23 G HA3 -0.333 3.627 3.960 0.000 0.000 0.218 23 G C 1.444 176.340 174.900 -0.007 0.000 1.154 23 G CA 0.925 45.986 45.100 -0.065 0.000 0.767 23 G HN 0.466 nan 8.290 nan 0.000 0.552 24 N N 0.613 119.313 118.700 0.000 0.000 2.120 24 N HA -0.031 4.710 4.740 0.000 0.000 0.188 24 N C 2.222 177.757 175.510 0.042 0.000 1.024 24 N CA 0.733 53.802 53.050 0.031 0.000 0.852 24 N CB -0.287 38.224 38.487 0.040 0.000 1.003 24 N HN 0.365 nan 8.380 nan 0.000 0.424 25 I N 0.860 121.453 120.570 0.038 0.000 2.226 25 I HA -0.222 3.948 4.170 0.000 0.000 0.245 25 I C 2.006 178.160 176.117 0.061 0.000 1.100 25 I CA 0.775 62.102 61.300 0.044 0.000 1.374 25 I CB -0.180 37.848 38.000 0.047 0.000 1.057 25 I HN 0.086 nan 8.210 nan 0.000 0.413 26 L N 0.193 121.482 121.223 0.111 0.000 2.046 26 L HA -0.215 4.125 4.340 0.000 0.000 0.208 26 L C 2.491 179.490 176.870 0.215 0.000 1.077 26 L CA 1.523 56.506 54.840 0.237 0.000 0.747 26 L CB -0.725 41.499 42.059 0.275 0.000 0.896 26 L HN 0.297 nan 8.230 nan 0.000 0.432 27 E N -0.177 120.092 120.200 0.114 0.000 2.085 27 E HA -0.313 4.037 4.350 0.000 0.000 0.194 27 E C 2.147 178.788 176.600 0.068 0.000 0.994 27 E CA 1.494 57.946 56.400 0.086 0.000 0.801 27 E CB -0.057 29.676 29.700 0.055 0.000 0.743 27 E HN 0.491 nan 8.360 nan 0.000 0.453 28 Q N 0.315 120.138 119.800 0.039 0.000 2.016 28 Q HA -0.166 4.175 4.340 0.000 0.000 0.200 28 Q C 2.346 178.305 176.000 -0.068 0.000 0.978 28 Q CA 1.779 57.582 55.803 0.000 0.000 0.833 28 Q CB -0.143 28.594 28.738 -0.001 0.000 0.895 28 Q HN 0.293 nan 8.270 nan 0.000 0.427 29 C N 0.081 119.293 119.300 -0.147 0.000 2.398 29 C HA -0.151 4.310 4.460 0.000 0.000 0.276 29 C C 2.048 176.687 174.990 -0.586 0.000 1.222 29 C CA 0.706 59.476 59.018 -0.414 0.000 1.746 29 C CB -1.116 26.250 27.740 -0.624 0.000 2.039 29 C HN 0.543 nan 8.230 nan 0.000 0.470 30 F N 0.388 120.337 119.950 -0.001 0.000 2.693 30 F HA 0.338 4.864 4.527 -0.001 0.000 0.303 30 F C 1.055 176.841 175.800 -0.023 0.000 1.097 30 F CA 0.009 57.998 58.000 -0.018 0.000 1.330 30 F CB -0.900 38.069 39.000 -0.051 0.000 1.067 30 F HN -0.061 nan 8.300 nan 0.000 0.565 34 F N 3.054 123.013 119.950 0.015 0.000 2.604 34 F HA 0.372 4.898 4.527 -0.001 0.000 0.393 34 F C 1.486 177.296 175.800 0.017 0.000 1.043 34 F CA 1.765 59.774 58.000 0.014 0.000 1.227 34 F CB -0.299 38.707 39.000 0.010 0.000 1.016 34 F HN 1.112 nan 8.300 nan 0.000 0.556 35 G N 4.100 112.322 108.800 -0.963 0.000 2.189 35 G HA2 -0.382 3.579 3.960 0.000 0.000 0.267 35 G HA3 -0.382 3.579 3.960 0.000 0.000 0.267 35 G C 0.839 175.570 174.900 -0.282 0.000 0.975 35 G CA 0.562 45.232 45.100 -0.716 0.000 0.644 35 G HN 0.655 nan 8.290 nan 0.000 0.537 36 D N 0.244 120.549 120.400 -0.159 0.000 2.312 36 D HA 0.080 4.721 4.640 0.000 0.000 0.211 36 D C 2.269 178.561 176.300 -0.013 0.000 0.964 36 D CA 1.217 55.182 54.000 -0.058 0.000 0.877 36 D CB -0.105 40.680 40.800 -0.025 0.000 0.924 36 D HN 0.420 nan 8.370 nan 0.000 0.515 37 S N 0.086 115.766 115.700 -0.033 0.000 2.402 37 S HA -0.163 4.307 4.470 0.000 0.000 0.229 37 S C 1.947 176.568 174.600 0.035 0.000 1.021 37 S CA 1.136 59.356 58.200 0.033 0.000 0.974 37 S CB 0.049 63.247 63.200 -0.003 0.000 0.800 37 S HN 0.156 nan 8.310 nan 0.000 0.484 38 E N 0.985 121.159 120.200 -0.043 0.000 2.051 38 E HA -0.074 4.276 4.350 0.000 0.000 0.192 38 E C 2.014 178.610 176.600 -0.006 0.000 0.991 38 E CA 1.379 57.750 56.400 -0.049 0.000 0.799 38 E CB -0.724 28.928 29.700 -0.079 0.000 0.748 38 E HN 0.801 nan 8.360 nan 0.000 0.449 39 I N -0.348 120.231 120.570 0.015 0.000 2.208 39 I HA -0.247 3.923 4.170 0.000 0.000 0.245 39 I C 2.448 178.616 176.117 0.085 0.000 1.097 39 I CA 1.815 63.138 61.300 0.038 0.000 1.363 39 I CB -0.366 37.659 38.000 0.041 0.000 1.051 39 I HN 0.224 nan 8.210 nan 0.000 0.413 40 Y N 1.218 121.519 120.300 0.002 0.000 2.114 40 Y HA -0.220 4.331 4.550 0.002 0.000 0.284 40 Y C 2.471 178.430 175.900 0.099 0.000 1.143 40 Y CA 1.635 59.760 58.100 0.041 0.000 1.135 40 Y CB -0.517 37.965 38.460 0.037 0.000 0.980 40 Y HN -0.141 nan 8.280 nan 0.000 0.499 41 V N 0.243 120.177 119.914 0.034 0.000 2.332 41 V HA -0.320 3.801 4.120 0.000 0.000 0.248 41 V C 2.532 178.623 176.094 -0.005 0.000 1.055 41 V CA 2.359 64.615 62.300 -0.073 0.000 1.038 41 V CB -1.061 30.585 31.823 -0.294 0.000 0.651 41 V HN 0.360 nan 8.190 nan 0.000 0.450 42 K N 0.391 120.776 120.400 -0.024 0.000 2.097 42 K HA -0.096 4.224 4.320 0.000 0.000 0.206 42 K C 2.171 178.765 176.600 -0.011 0.000 1.049 42 K CA 1.457 57.736 56.287 -0.013 0.000 0.933 42 K CB -0.966 31.524 32.500 -0.016 0.000 0.717 42 K HN 0.682 nan 8.250 nan 0.000 0.442 43 G N 0.261 109.042 108.800 -0.032 0.000 2.432 43 G HA2 -0.097 3.863 3.960 0.000 0.000 0.219 43 G HA3 -0.097 3.863 3.960 0.000 0.000 0.219 43 G C 1.584 176.454 174.900 -0.050 0.000 1.135 43 G CA 1.047 46.125 45.100 -0.037 0.000 0.767 43 G HN 0.520 nan 8.290 nan 0.000 0.550 44 I N 0.365 120.873 120.570 -0.104 0.000 2.585 44 I HA 0.226 4.396 4.170 0.000 0.000 0.254 44 I C 1.372 177.487 176.117 -0.002 0.000 1.129 44 I CA 0.782 62.007 61.300 -0.124 0.000 1.455 44 I CB -0.202 37.598 38.000 -0.333 0.000 1.111 44 I HN 0.311 nan 8.210 nan 0.000 0.433 45 G N 1.292 110.146 108.800 0.091 0.000 3.209 45 G HA2 -0.197 3.764 3.960 0.000 0.000 0.686 45 G HA3 -0.197 3.764 3.960 0.000 0.000 0.686 45 G C 0.146 175.179 174.900 0.221 0.000 1.065 45 G CA -0.217 44.945 45.100 0.104 0.000 0.812 45 G HN 0.249 nan 8.290 nan 0.000 0.573 46 L N 1.188 122.515 121.223 0.173 0.000 2.129 46 L HA -0.133 4.207 4.340 0.000 0.000 0.212 46 L C 2.943 179.921 176.870 0.179 0.000 1.087 46 L CA 2.561 57.512 54.840 0.185 0.000 0.757 46 L CB -0.105 41.981 42.059 0.045 0.000 0.896 46 L HN 0.871 nan 8.230 nan 0.000 0.434 47 E N -0.628 119.631 120.200 0.097 0.000 2.204 47 E HA -0.243 4.107 4.350 0.000 0.000 0.195 47 E C 1.174 177.794 176.600 0.032 0.000 0.990 47 E CA 1.266 57.697 56.400 0.051 0.000 0.821 47 E CB -0.735 28.981 29.700 0.027 0.000 0.750 47 E HN 0.614 nan 8.360 nan 0.000 0.477 48 N N 0.011 118.717 118.700 0.009 0.000 2.412 48 N HA 0.075 4.816 4.740 0.000 0.000 0.184 48 N C -0.289 175.089 175.510 -0.219 0.000 1.101 48 N CA 0.155 53.121 53.050 -0.140 0.000 0.881 48 N CB -0.004 38.315 38.487 -0.281 0.000 0.969 48 N HN 0.084 nan 8.380 nan 0.000 0.459 49 F N 1.107 121.021 119.950 -0.059 0.000 2.379 49 F HA 0.395 4.922 4.527 -0.000 0.000 0.332 49 F C 0.979 176.740 175.800 -0.065 0.000 1.096 49 F CA -0.454 57.517 58.000 -0.048 0.000 1.105 49 F CB 0.965 39.941 39.000 -0.040 0.000 1.189 49 F HN -0.374 nan 8.300 nan 0.000 0.515 50 R N 1.199 121.777 120.500 0.130 0.000 2.807 50 R HA 0.764 5.104 4.340 0.000 0.000 0.276 50 R C -1.525 174.767 176.300 -0.012 0.000 0.979 50 R CA -1.006 55.066 56.100 -0.046 0.000 0.928 50 R CB 2.080 32.342 30.300 -0.064 0.000 1.191 50 R HN 0.421 nan 8.270 nan 0.000 0.471 51 V N 2.799 122.637 119.914 -0.127 0.000 2.735 51 V HA 0.532 4.652 4.120 0.000 0.000 0.310 51 V C -0.153 175.890 176.094 -0.085 0.000 1.061 51 V CA -0.911 61.322 62.300 -0.111 0.000 0.913 51 V CB 2.715 34.431 31.823 -0.178 0.000 1.005 51 V HN 0.639 nan 8.190 nan 0.000 0.428 52 I N 3.463 123.990 120.570 -0.071 0.000 2.404 52 I HA 0.571 4.741 4.170 0.000 0.000 0.293 52 I C -1.455 174.610 176.117 -0.086 0.000 0.992 52 I CA -0.452 60.860 61.300 0.021 0.000 1.149 52 I CB 1.459 39.479 38.000 0.033 0.000 1.315 52 I HN 0.578 nan 8.210 nan 0.000 0.446 53 Y N 6.159 126.490 120.300 0.051 0.000 2.420 53 Y HA 0.525 5.076 4.550 0.001 0.000 0.334 53 Y C -0.012 175.941 175.900 0.089 0.000 1.094 53 Y CA -0.586 57.525 58.100 0.018 0.000 1.126 53 Y CB 1.442 39.905 38.460 0.005 0.000 1.217 53 Y HN 0.425 nan 8.280 nan 0.000 0.462 54 R N 3.062 123.626 120.500 0.108 0.000 2.388 54 R HA 0.272 4.613 4.340 0.000 0.000 0.314 54 R C -0.662 175.636 176.300 -0.004 0.000 0.959 54 R CA -0.174 55.934 56.100 0.014 0.000 0.851 54 R CB 0.387 30.602 30.300 -0.142 0.000 1.168 54 R HN 0.896 nan 8.270 nan 0.000 0.472 55 E N 1.675 121.872 120.200 -0.006 0.000 3.180 55 E HA -0.277 4.073 4.350 0.000 0.000 0.321 55 E C -0.087 176.543 176.600 0.051 0.000 1.452 55 E CA 1.026 57.430 56.400 0.007 0.000 1.710 55 E CB -0.698 29.010 29.700 0.014 0.000 1.867 55 E HN 0.711 nan 8.360 nan 0.000 0.513 56 Q N 1.639 121.477 119.800 0.063 0.000 2.246 56 Q HA 0.237 4.577 4.340 0.000 0.000 0.202 56 Q C 0.147 176.277 176.000 0.217 0.000 0.883 56 Q CA 0.540 56.391 55.803 0.080 0.000 0.952 56 Q CB 0.361 29.122 28.738 0.038 0.000 1.078 56 Q HN 0.221 nan 8.270 nan 0.000 0.493 57 K N 0.514 121.041 120.400 0.211 0.000 2.156 57 K HA 0.452 4.772 4.320 0.000 0.000 0.254 57 K C -0.428 176.201 176.600 0.048 0.000 0.950 57 K CA -0.784 55.608 56.287 0.174 0.000 0.849 57 K CB 2.504 35.110 32.500 0.178 0.000 1.100 57 K HN -0.200 nan 8.250 nan 0.000 0.434 58 V N 2.584 122.445 119.914 -0.088 0.000 2.470 58 V HA 0.031 4.151 4.120 0.000 0.000 0.276 58 V C 0.885 176.851 176.094 -0.214 0.000 1.040 58 V CA 0.379 62.450 62.300 -0.382 0.000 1.008 58 V CB 0.694 32.330 31.823 -0.311 0.000 0.990 58 V HN 1.021 nan 8.190 nan 0.000 0.477 59 A N 3.928 126.567 122.820 -0.302 0.000 2.063 59 A HA 0.703 5.023 4.320 0.000 0.000 0.211 59 A C 1.049 178.615 177.584 -0.030 0.000 1.177 59 A CA 0.833 52.708 52.037 -0.270 0.000 0.759 59 A CB 0.210 18.946 19.000 -0.439 0.000 0.857 59 A HN 1.231 nan 8.150 nan 0.000 0.468 60 G N -3.285 105.468 108.800 -0.077 0.000 2.323 60 G HA2 0.580 4.540 3.960 0.000 0.000 0.291 60 G HA3 0.580 4.540 3.960 0.000 0.000 0.291 60 G C -0.364 174.530 174.900 -0.009 0.000 1.278 60 G CA 0.094 45.188 45.100 -0.009 0.000 0.860 60 G HN 1.493 nan 8.290 nan 0.000 0.504 61 G N -1.793 107.047 108.800 0.067 0.000 2.340 61 G HA2 0.802 4.763 3.960 0.000 0.000 0.299 61 G HA3 0.802 4.763 3.960 0.000 0.000 0.299 61 G C -1.621 173.395 174.900 0.193 0.000 1.291 61 G CA 0.689 45.857 45.100 0.114 0.000 0.841 61 G HN 2.122 nan 8.290 nan 0.000 0.500 62 L N -3.527 117.829 121.223 0.223 0.000 2.801 62 L HA 1.024 5.364 4.340 0.000 0.000 0.264 62 L C -0.350 176.586 176.870 0.109 0.000 1.086 62 L CA -1.144 53.822 54.840 0.211 0.000 0.920 62 L CB 1.060 43.219 42.059 0.166 0.000 1.529 62 L HN 1.814 nan 8.230 nan 0.000 0.399 63 A N 0.571 123.317 122.820 -0.124 0.000 2.342 63 A HA 0.901 5.221 4.320 0.000 0.000 0.323 63 A C -0.749 176.664 177.584 -0.285 0.000 1.125 63 A CA -0.424 51.311 52.037 -0.504 0.000 0.785 63 A CB 0.724 19.138 19.000 -0.976 0.000 1.221 63 A HN 0.677 nan 8.150 nan 0.000 0.463 64 I N 2.594 122.997 120.570 -0.278 0.000 2.354 64 I HA 0.281 4.451 4.170 0.000 0.000 0.292 64 I C -0.773 175.152 176.117 -0.320 0.000 0.989 64 I CA -0.260 60.921 61.300 -0.197 0.000 1.188 64 I CB 1.432 39.381 38.000 -0.084 0.000 1.342 64 I HN 0.470 nan 8.210 nan 0.000 0.457 65 L N 8.472 129.471 121.223 -0.373 0.000 2.313 65 L HA 0.426 4.766 4.340 0.000 0.000 0.273 65 L C -2.296 174.411 176.870 -0.270 0.000 1.028 65 L CA -1.700 52.813 54.840 -0.545 0.000 0.871 65 L CB 0.554 42.148 42.059 -0.776 0.000 1.242 65 L HN 0.297 nan 8.230 nan 0.000 0.434 69 Q N -0.641 118.975 119.800 -0.308 0.000 2.315 69 Q HA 0.480 4.821 4.340 0.000 0.000 0.273 69 Q C -1.667 174.032 176.000 -0.502 0.000 1.053 69 Q CA -0.813 54.785 55.803 -0.342 0.000 0.817 69 Q CB 2.189 30.841 28.738 -0.144 0.000 1.326 69 Q HN 0.565 nan 8.270 nan 0.000 0.423 70 W N 3.530 124.582 121.300 -0.415 0.000 2.387 70 W HA 0.380 5.040 4.660 -0.000 0.000 0.310 70 W C -1.004 175.203 176.519 -0.520 0.000 1.181 70 W CA -0.156 56.992 57.345 -0.330 0.000 1.333 70 W CB 0.451 29.769 29.460 -0.236 0.000 1.286 70 W HN 0.414 nan 8.180 nan 0.000 0.455 71 W N 2.601 124.011 121.300 0.183 0.000 2.538 71 W HA 0.464 5.124 4.660 -0.000 0.000 0.322 71 W C 0.885 177.500 176.519 0.160 0.000 1.028 71 W CA -0.951 56.470 57.345 0.127 0.000 1.228 71 W CB 1.845 31.299 29.460 -0.010 0.000 1.356 71 W HN 0.695 nan 8.180 nan 0.000 0.452 72 G N 1.921 111.031 108.800 0.517 0.000 2.283 72 G HA2 -0.017 3.943 3.960 0.000 0.000 0.280 72 G HA3 -0.017 3.943 3.960 0.000 0.000 0.280 72 G C 1.018 175.993 174.900 0.125 0.000 1.029 72 G CA 0.753 45.945 45.100 0.153 0.000 0.840 72 G HN 1.874 nan 8.290 nan 0.000 0.505 73 G N -2.460 106.457 108.800 0.196 0.000 2.143 73 G HA2 -0.188 3.772 3.960 0.000 0.000 0.249 73 G HA3 -0.188 3.772 3.960 0.000 0.000 0.249 73 G C 0.124 175.225 174.900 0.334 0.000 0.981 73 G CA 1.016 46.230 45.100 0.190 0.000 0.665 73 G HN 1.113 nan 8.290 nan 0.000 0.528 74 Q N -0.463 119.531 119.800 0.323 0.000 2.342 74 Q HA 0.457 4.797 4.340 0.000 0.000 0.267 74 Q C 0.119 176.165 176.000 0.077 0.000 1.038 74 Q CA -0.870 55.079 55.803 0.243 0.000 0.832 74 Q CB 1.695 30.514 28.738 0.135 0.000 1.323 74 Q HN 0.442 nan 8.270 nan 0.000 0.448 75 R N 1.604 121.932 120.500 -0.286 0.000 2.267 75 R HA 0.349 4.689 4.340 0.000 0.000 0.319 75 R C -0.939 175.189 176.300 -0.287 0.000 1.067 75 R CA -0.152 55.488 56.100 -0.765 0.000 0.936 75 R CB 0.369 30.011 30.300 -1.097 0.000 1.006 75 R HN 0.305 nan 8.270 nan 0.000 0.452 76 V N 8.124 127.947 119.914 -0.152 0.000 2.370 76 V HA 0.291 4.412 4.120 0.000 0.000 0.279 76 V C -1.860 174.205 176.094 -0.048 0.000 1.029 76 V CA -2.067 60.242 62.300 0.014 0.000 0.870 76 V CB 1.340 33.316 31.823 0.255 0.000 0.984 76 V HN 0.807 nan 8.190 nan 0.000 0.451 80 G N 1.927 110.596 108.800 -0.218 0.000 2.390 80 G HA2 0.533 4.493 3.960 0.000 0.000 0.270 80 G HA3 0.533 4.493 3.960 0.000 0.000 0.270 80 G C -0.152 174.678 174.900 -0.116 0.000 1.211 80 G CA -0.308 44.622 45.100 -0.283 0.000 0.842 80 G HN 0.597 nan 8.290 nan 0.000 0.519 81 I N 1.673 122.309 120.570 0.109 0.000 2.339 81 I HA 0.545 4.715 4.170 0.000 0.000 0.290 81 I C 0.492 176.671 176.117 0.103 0.000 0.994 81 I CA -0.835 60.496 61.300 0.051 0.000 1.191 81 I CB 0.819 38.831 38.000 0.020 0.000 1.343 81 I HN 0.541 nan 8.210 nan 0.000 0.458 82 A N 4.673 127.512 122.820 0.031 0.000 2.430 82 A HA 0.832 5.152 4.320 0.000 0.000 0.300 82 A C 0.410 178.034 177.584 0.066 0.000 1.124 82 A CA -0.226 51.843 52.037 0.052 0.000 0.766 82 A CB 1.304 20.332 19.000 0.047 0.000 1.328 82 A HN 1.400 nan 8.150 nan 0.000 0.424 83 A N -0.323 122.518 122.820 0.036 0.000 2.511 83 A HA -0.034 4.287 4.320 0.000 0.000 0.297 83 A C 0.220 178.028 177.584 0.373 0.000 1.476 83 A CA 0.748 52.826 52.037 0.069 0.000 0.757 83 A CB -2.445 16.700 19.000 0.241 0.000 1.072 83 A HN 1.694 nan 8.150 nan 0.000 0.413 84 V N 0.252 120.408 119.914 0.403 0.000 2.439 84 V HA 0.563 4.683 4.120 0.000 0.000 0.271 84 V C 1.042 177.352 176.094 0.360 0.000 1.040 84 V CA 0.713 63.221 62.300 0.346 0.000 1.002 84 V CB 1.140 33.154 31.823 0.318 0.000 1.000 84 V HN 1.396 nan 8.190 nan 0.000 0.477 85 G N 5.624 114.564 108.800 0.233 0.000 2.731 85 G HA2 0.679 4.639 3.960 0.000 0.000 0.298 85 G HA3 0.679 4.639 3.960 0.000 0.000 0.298 85 G C -1.351 173.579 174.900 0.050 0.000 1.424 85 G CA -0.510 44.637 45.100 0.078 0.000 1.029 85 G HN 0.383 nan 8.290 nan 0.000 0.518 86 I N 1.851 122.426 120.570 0.008 0.000 2.406 86 I HA 0.485 4.655 4.170 0.000 0.000 0.290 86 I C 0.908 177.056 176.117 0.051 0.000 0.999 86 I CA -1.074 60.249 61.300 0.038 0.000 1.124 86 I CB 1.280 39.296 38.000 0.027 0.000 1.289 86 I HN 0.657 nan 8.210 nan 0.000 0.441 87 A N 9.384 132.275 122.820 0.118 0.000 2.531 87 A HA 0.263 4.584 4.320 0.000 0.000 0.236 87 A C -1.193 176.415 177.584 0.040 0.000 1.062 87 A CA -0.575 51.515 52.037 0.088 0.000 0.760 87 A CB -0.374 18.724 19.000 0.164 0.000 0.995 87 A HN 0.638 nan 8.150 nan 0.000 0.501 88 P HA -0.207 nan 4.420 nan 0.000 0.220 88 P C 0.993 178.246 177.300 -0.078 0.000 1.148 88 P CA 1.498 64.572 63.100 -0.043 0.000 0.803 88 P CB 0.051 31.720 31.700 -0.052 0.000 0.782 89 E N -0.430 119.660 120.200 -0.184 0.000 2.409 89 E HA -0.179 4.171 4.350 0.000 0.000 0.198 89 E C 0.700 177.096 176.600 -0.340 0.000 1.024 89 E CA 1.050 57.264 56.400 -0.309 0.000 0.861 89 E CB -0.835 28.584 29.700 -0.468 0.000 0.788 89 E HN 0.337 nan 8.360 nan 0.000 0.521 90 Y N 0.922 121.244 120.300 0.036 0.000 2.467 90 Y HA 0.329 4.879 4.550 0.000 0.000 0.250 90 Y C 0.984 176.919 175.900 0.059 0.000 1.155 90 Y CA -0.594 57.547 58.100 0.069 0.000 1.249 90 Y CB 0.292 38.807 38.460 0.090 0.000 1.146 90 Y HN -0.171 nan 8.280 nan 0.000 0.524 91 R N -0.200 120.377 120.500 0.129 0.000 2.707 91 R HA 0.343 4.683 4.340 0.000 0.000 0.270 91 R C 1.278 177.620 176.300 0.070 0.000 1.083 91 R CA 0.726 56.871 56.100 0.075 0.000 1.182 91 R CB -0.009 30.306 30.300 0.025 0.000 1.084 91 R HN 0.423 nan 8.270 nan 0.000 0.528 92 G N 0.991 109.820 108.800 0.048 0.000 2.153 92 G HA2 -0.270 3.690 3.960 0.000 0.000 0.252 92 G HA3 -0.270 3.690 3.960 0.000 0.000 0.252 92 G C 0.143 175.088 174.900 0.076 0.000 0.994 92 G CA 0.654 45.781 45.100 0.045 0.000 0.698 92 G HN 0.702 nan 8.290 nan 0.000 0.521 93 D N -0.921 119.551 120.400 0.120 0.000 2.540 93 D HA 0.438 5.078 4.640 0.000 0.000 0.229 93 D C 1.668 178.118 176.300 0.251 0.000 1.250 93 D CA 1.035 55.147 54.000 0.187 0.000 0.817 93 D CB -0.395 40.561 40.800 0.260 0.000 1.060 93 D HN 1.271 nan 8.370 nan 0.000 0.508 94 G N 0.268 109.147 108.800 0.131 0.000 2.143 94 G HA2 -0.307 3.653 3.960 0.000 0.000 0.249 94 G HA3 -0.307 3.653 3.960 0.000 0.000 0.249 94 G C 1.260 176.084 174.900 -0.128 0.000 0.981 94 G CA 0.538 45.690 45.100 0.087 0.000 0.665 94 G HN 0.514 nan 8.290 nan 0.000 0.528 95 A N 0.070 122.720 122.820 -0.285 0.000 1.897 95 A HA 0.492 4.812 4.320 0.000 0.000 0.215 95 A C 2.794 180.094 177.584 -0.474 0.000 1.181 95 A CA 2.404 53.911 52.037 -0.883 0.000 0.620 95 A CB -0.758 17.920 19.000 -0.535 0.000 0.821 95 A HN 1.739 nan 8.150 nan 0.000 0.443 96 A N -0.316 122.363 122.820 -0.235 0.000 1.898 96 A HA -0.054 4.267 4.320 0.000 0.000 0.216 96 A C 2.079 179.569 177.584 -0.157 0.000 1.181 96 A CA 1.687 53.625 52.037 -0.164 0.000 0.620 96 A CB -0.525 18.390 19.000 -0.143 0.000 0.819 96 A HN 0.595 nan 8.150 nan 0.000 0.442 97 I N -0.237 120.241 120.570 -0.153 0.000 2.353 97 I HA -0.077 4.093 4.170 0.000 0.000 0.248 97 I C 2.528 178.581 176.117 -0.106 0.000 1.119 97 I CA 1.158 62.389 61.300 -0.114 0.000 1.417 97 I CB -0.516 37.434 38.000 -0.083 0.000 1.078 97 I HN 0.272 nan 8.210 nan 0.000 0.421 98 A N 0.408 123.140 122.820 -0.145 0.000 1.883 98 A HA -0.228 4.092 4.320 0.000 0.000 0.217 98 A C 2.264 179.826 177.584 -0.036 0.000 1.186 98 A CA 2.095 54.067 52.037 -0.107 0.000 0.624 98 A CB -1.300 17.627 19.000 -0.122 0.000 0.822 98 A HN 0.508 nan 8.150 nan 0.000 0.444 99 L N -0.046 121.149 121.223 -0.048 0.000 2.013 99 L HA -0.182 4.158 4.340 0.000 0.000 0.212 99 L C 2.133 179.030 176.870 0.044 0.000 1.073 99 L CA 1.896 56.777 54.840 0.068 0.000 0.753 99 L CB -0.465 41.621 42.059 0.045 0.000 0.890 99 L HN 0.369 nan 8.230 nan 0.000 0.432 100 I N -0.588 119.994 120.570 0.020 0.000 2.286 100 I HA -0.270 3.900 4.170 0.000 0.000 0.248 100 I C 2.554 178.686 176.117 0.025 0.000 1.115 100 I CA 1.278 62.620 61.300 0.070 0.000 1.392 100 I CB -1.381 36.679 38.000 0.101 0.000 1.065 100 I HN 0.491 nan 8.210 nan 0.000 0.418 101 Q N -0.252 119.512 119.800 -0.059 0.000 2.046 101 Q HA -0.213 4.127 4.340 0.000 0.000 0.200 101 Q C 2.246 178.117 176.000 -0.215 0.000 0.975 101 Q CA 1.615 57.340 55.803 -0.129 0.000 0.836 101 Q CB -0.296 28.328 28.738 -0.190 0.000 0.896 101 Q HN 0.600 nan 8.270 nan 0.000 0.428 102 H N -0.381 118.525 119.070 -0.275 0.000 2.319 102 H HA -0.109 4.447 4.556 0.000 0.000 0.299 102 H C 2.280 177.215 175.328 -0.655 0.000 1.092 102 H CA 1.780 57.480 56.048 -0.580 0.000 1.302 102 H CB -0.004 29.133 29.762 -1.041 0.000 1.373 102 H HN 0.173 nan 8.280 nan 0.000 0.497 103 T N 0.804 115.149 114.554 -0.349 0.000 2.684 103 T HA -0.171 4.179 4.350 0.000 0.000 0.267 103 T C 2.158 176.858 174.700 -0.000 0.000 1.036 103 T CA 1.271 63.335 62.100 -0.059 0.000 1.148 103 T CB -0.375 68.559 68.868 0.110 0.000 0.863 103 T HN 0.196 nan 8.240 nan 0.000 0.436 104 L N 0.798 122.022 121.223 0.000 0.000 2.042 104 L HA -0.183 4.157 4.340 0.000 0.000 0.210 104 L C 2.903 179.757 176.870 -0.028 0.000 1.076 104 L CA 1.388 56.227 54.840 -0.001 0.000 0.749 104 L CB -0.526 41.531 42.059 -0.005 0.000 0.893 104 L HN 0.265 nan 8.230 nan 0.000 0.432 105 Q N 0.581 120.349 119.800 -0.053 0.000 2.084 105 Q HA -0.276 4.065 4.340 0.000 0.000 0.202 105 Q C 1.979 177.979 176.000 0.000 0.000 0.978 105 Q CA 2.088 57.870 55.803 -0.035 0.000 0.844 105 Q CB -0.161 28.550 28.738 -0.045 0.000 0.898 105 Q HN 0.489 nan 8.270 nan 0.000 0.426 106 E N -0.467 119.742 120.200 0.015 0.000 2.072 106 E HA -0.170 4.180 4.350 0.000 0.000 0.191 106 E C 1.934 178.563 176.600 0.049 0.000 0.985 106 E CA 1.318 57.763 56.400 0.074 0.000 0.801 106 E CB -0.222 29.580 29.700 0.171 0.000 0.750 106 E HN 0.549 nan 8.360 nan 0.000 0.452 107 I N 1.304 121.894 120.570 0.034 0.000 2.208 107 I HA -0.297 3.874 4.170 0.000 0.000 0.245 107 I C 2.773 178.888 176.117 -0.003 0.000 1.097 107 I CA 1.376 62.685 61.300 0.014 0.000 1.363 107 I CB -0.428 37.577 38.000 0.008 0.000 1.051 107 I HN 0.226 nan 8.210 nan 0.000 0.413 108 S N 0.693 116.387 115.700 -0.010 0.000 2.368 108 S HA -0.233 4.237 4.470 0.000 0.000 0.225 108 S C 1.784 176.382 174.600 -0.003 0.000 1.030 108 S CA 1.379 59.569 58.200 -0.018 0.000 0.999 108 S CB -0.574 62.612 63.200 -0.024 0.000 0.844 108 S HN 0.508 nan 8.310 nan 0.000 0.459 109 E N 0.544 120.750 120.200 0.010 0.000 2.338 109 E HA -0.030 4.320 4.350 0.000 0.000 0.197 109 E C 1.685 178.294 176.600 0.016 0.000 1.007 109 E CA 0.718 57.128 56.400 0.017 0.000 0.849 109 E CB -0.027 29.692 29.700 0.031 0.000 0.774 109 E HN 0.533 nan 8.360 nan 0.000 0.506 110 Q N 0.148 119.955 119.800 0.012 0.000 2.319 110 Q HA -0.007 4.333 4.340 0.000 0.000 0.202 110 Q C -0.403 175.596 176.000 -0.001 0.000 0.896 110 Q CA 0.276 56.084 55.803 0.008 0.000 0.942 110 Q CB 0.561 29.305 28.738 0.010 0.000 1.083 110 Q HN 0.172 nan 8.270 nan 0.000 0.510 111 D N 0.217 120.614 120.400 -0.005 0.000 2.870 111 D HA -0.198 4.443 4.640 0.000 0.000 0.228 111 D C -0.500 175.789 176.300 -0.018 0.000 1.147 111 D CA 0.576 54.570 54.000 -0.010 0.000 0.757 111 D CB -1.546 39.251 40.800 -0.004 0.000 1.091 111 D HN 0.343 nan 8.370 nan 0.000 0.429 112 I N 1.453 122.009 120.570 -0.023 0.000 2.304 112 I HA 0.111 4.281 4.170 0.000 0.000 0.291 112 I C -0.980 175.108 176.117 -0.049 0.000 1.018 112 I CA -1.790 59.491 61.300 -0.032 0.000 1.260 112 I CB 1.542 39.524 38.000 -0.029 0.000 1.390 112 I HN -0.240 nan 8.210 nan 0.000 0.475 113 P HA 0.036 nan 4.420 nan 0.000 0.231 113 P C 0.008 177.220 177.300 -0.147 0.000 1.168 113 P CA 0.930 63.975 63.100 -0.092 0.000 0.779 113 P CB 0.254 31.911 31.700 -0.073 0.000 0.844 114 I N -4.875 115.621 120.570 -0.123 0.000 2.969 114 I HA 0.749 4.920 4.170 0.000 0.000 0.307 114 I C -1.034 175.037 176.117 -0.076 0.000 1.149 114 I CA -1.307 59.900 61.300 -0.155 0.000 1.008 114 I CB 2.460 40.352 38.000 -0.179 0.000 1.232 114 I HN -0.344 nan 8.210 nan 0.000 0.435 115 S N 2.437 118.097 115.700 -0.067 0.000 2.540 115 S HA 0.839 5.309 4.470 0.000 0.000 0.275 115 S C -1.360 173.339 174.600 0.165 0.000 1.123 115 S CA -0.399 57.827 58.200 0.043 0.000 0.907 115 S CB 1.978 65.220 63.200 0.069 0.000 1.081 115 S HN 0.592 nan 8.310 nan 0.000 0.476 116 V N 4.375 124.419 119.914 0.216 0.000 2.962 116 V HA 0.832 4.952 4.120 0.000 0.000 0.313 116 V C -1.227 174.979 176.094 0.186 0.000 1.099 116 V CA -0.730 61.709 62.300 0.233 0.000 0.971 116 V CB 1.598 33.501 31.823 0.132 0.000 1.028 116 V HN 1.000 nan 8.190 nan 0.000 0.430 117 L N 1.199 122.388 121.223 -0.058 0.000 2.710 117 L HA 0.660 5.000 4.340 0.000 0.000 0.260 117 L C -1.799 174.801 176.870 -0.449 0.000 0.993 117 L CA -0.800 53.852 54.840 -0.313 0.000 0.877 117 L CB 1.600 43.383 42.059 -0.459 0.000 1.461 117 L HN 0.450 nan 8.230 nan 0.000 0.413 118 Y N 1.782 121.810 120.300 -0.453 0.000 2.385 118 Y HA 0.664 5.214 4.550 0.001 0.000 0.341 118 Y C -2.081 173.710 175.900 -0.181 0.000 0.965 118 Y CA -1.339 56.621 58.100 -0.233 0.000 1.180 118 Y CB 1.255 39.561 38.460 -0.256 0.000 1.139 118 Y HN 0.458 nan 8.280 nan 0.000 0.502 119 P HA 0.227 nan 4.420 nan 0.000 0.284 119 P C -0.150 177.269 177.300 0.198 0.000 1.253 119 P CA -0.212 62.901 63.100 0.021 0.000 0.800 119 P CB 2.111 33.863 31.700 0.087 0.000 0.961 120 A N 2.455 125.436 122.820 0.268 0.000 2.021 120 A HA 0.110 4.430 4.320 0.000 0.000 0.216 120 A C 1.077 178.760 177.584 0.166 0.000 1.163 120 A CA 1.237 53.399 52.037 0.209 0.000 0.676 120 A CB -0.354 18.769 19.000 0.205 0.000 0.818 120 A HN 0.619 nan 8.150 nan 0.000 0.453 121 T N -1.663 113.013 114.554 0.204 0.000 3.109 121 T HA 0.337 4.687 4.350 0.000 0.000 0.311 121 T C 0.247 175.059 174.700 0.187 0.000 1.011 121 T CA -0.487 61.695 62.100 0.136 0.000 1.026 121 T CB 1.219 70.124 68.868 0.061 0.000 1.047 121 T HN 0.327 nan 8.240 nan 0.000 0.448 122 Q N 2.475 122.365 119.800 0.151 0.000 2.119 122 Q HA -0.043 4.297 4.340 0.000 0.000 0.201 122 Q C 2.223 178.296 176.000 0.122 0.000 0.972 122 Q CA 0.919 56.823 55.803 0.169 0.000 0.847 122 Q CB 0.050 28.857 28.738 0.115 0.000 0.903 122 Q HN 0.631 nan 8.270 nan 0.000 0.433 123 R N 0.825 121.358 120.500 0.055 0.000 2.083 123 R HA -0.209 4.131 4.340 0.000 0.000 0.237 123 R C 2.302 178.589 176.300 -0.021 0.000 1.137 123 R CA 1.305 57.417 56.100 0.020 0.000 0.951 123 R CB -0.320 29.981 30.300 0.003 0.000 0.851 123 R HN 0.233 nan 8.270 nan 0.000 0.434 124 L N 0.288 121.446 121.223 -0.107 0.000 1.970 124 L HA -0.216 4.125 4.340 0.000 0.000 0.212 124 L C 1.864 178.581 176.870 -0.254 0.000 1.071 124 L CA 1.875 56.556 54.840 -0.266 0.000 0.751 124 L CB -0.871 40.877 42.059 -0.518 0.000 0.889 124 L HN 0.196 nan 8.230 nan 0.000 0.432 125 Y N -0.126 120.179 120.300 0.008 0.000 2.293 125 Y HA -0.100 4.450 4.550 -0.000 0.000 0.291 125 Y C 2.689 178.681 175.900 0.154 0.000 1.137 125 Y CA 1.346 59.467 58.100 0.035 0.000 1.202 125 Y CB -0.551 37.834 38.460 -0.125 0.000 0.990 125 Y HN 0.168 nan 8.280 nan 0.000 0.537 126 R N 0.416 121.050 120.500 0.223 0.000 2.120 126 R HA -0.137 4.203 4.340 0.000 0.000 0.234 126 R C 2.023 178.384 176.300 0.102 0.000 1.123 126 R CA 1.241 57.434 56.100 0.155 0.000 0.975 126 R CB -0.241 30.120 30.300 0.102 0.000 0.866 126 R HN 0.321 nan 8.270 nan 0.000 0.446 127 K N 0.093 120.532 120.400 0.066 0.000 2.211 127 K HA -0.086 4.235 4.320 0.000 0.000 0.204 127 K C 1.489 178.119 176.600 0.050 0.000 1.047 127 K CA 1.300 57.608 56.287 0.034 0.000 0.935 127 K CB 0.086 32.584 32.500 -0.003 0.000 0.728 127 K HN 0.144 nan 8.250 nan 0.000 0.452 128 A N -0.170 122.718 122.820 0.112 0.000 2.423 128 A HA 0.328 4.648 4.320 0.000 0.000 0.246 128 A C 1.086 178.726 177.584 0.093 0.000 1.278 128 A CA 0.496 52.606 52.037 0.122 0.000 0.903 128 A CB 0.169 19.294 19.000 0.209 0.000 0.997 128 A HN 0.341 nan 8.150 nan 0.000 0.510 129 G N -1.732 107.118 108.800 0.083 0.000 2.157 129 G HA2 -0.290 3.670 3.960 0.000 0.000 0.248 129 G HA3 -0.290 3.670 3.960 0.000 0.000 0.248 129 G C -0.029 174.844 174.900 -0.045 0.000 0.979 129 G CA 0.215 45.313 45.100 -0.004 0.000 0.650 129 G HN 0.414 nan 8.290 nan 0.000 0.529 130 Y N 0.410 120.738 120.300 0.046 0.000 2.336 130 Y HA 0.584 5.134 4.550 0.001 0.000 0.331 130 Y C 0.779 176.701 175.900 0.036 0.000 1.211 130 Y CA 0.355 58.480 58.100 0.041 0.000 1.346 130 Y CB 1.098 39.605 38.460 0.078 0.000 1.271 130 Y HN 0.270 nan 8.280 nan 0.000 0.538 131 E N 0.582 120.876 120.200 0.157 0.000 2.413 131 E HA 0.261 4.611 4.350 0.000 0.000 0.277 131 E C -1.613 175.037 176.600 0.082 0.000 0.958 131 E CA -0.874 55.588 56.400 0.103 0.000 0.779 131 E CB 1.193 30.922 29.700 0.049 0.000 1.278 131 E HN 0.537 nan 8.360 nan 0.000 0.456 132 Q N 1.153 120.993 119.800 0.067 0.000 2.304 132 Q HA 0.273 4.613 4.340 0.000 0.000 0.315 132 Q C -0.193 175.781 176.000 -0.044 0.000 1.075 132 Q CA 1.125 56.936 55.803 0.014 0.000 0.988 132 Q CB 0.606 29.383 28.738 0.066 0.000 1.146 132 Q HN 0.571 nan 8.270 nan 0.000 0.383 133 A N 1.922 124.623 122.820 -0.198 0.000 2.644 133 A HA 0.452 4.773 4.320 0.000 0.000 0.193 133 A C 0.294 177.519 177.584 -0.599 0.000 1.464 133 A CA 0.488 52.377 52.037 -0.246 0.000 1.095 133 A CB 0.949 19.922 19.000 -0.044 0.000 1.405 133 A HN 0.743 nan 8.150 nan 0.000 0.558 134 G N -0.970 107.102 108.800 -1.212 0.000 2.608 134 G HA2 0.524 4.484 3.960 0.000 0.000 0.291 134 G HA3 0.524 4.484 3.960 0.000 0.000 0.291 134 G C -1.133 172.925 174.900 -1.405 0.000 1.425 134 G CA 0.055 44.147 45.100 -1.681 0.000 0.787 134 G HN 0.330 nan 8.290 nan 0.000 0.484 135 S N -0.717 114.625 115.700 -0.596 0.000 2.607 135 S HA 0.879 5.349 4.470 0.000 0.000 0.303 135 S C -0.159 174.689 174.600 0.413 0.000 1.086 135 S CA -0.437 57.701 58.200 -0.102 0.000 0.995 135 S CB 1.690 64.904 63.200 0.024 0.000 1.084 135 S HN 1.463 nan 8.310 nan 0.000 0.507 136 S N -0.397 115.547 115.700 0.406 0.000 2.540 136 S HA 0.778 5.248 4.470 0.000 0.000 0.275 136 S C -1.099 173.658 174.600 0.262 0.000 1.123 136 S CA -0.809 57.691 58.200 0.501 0.000 0.907 136 S CB 1.216 64.797 63.200 0.635 0.000 1.081 136 S HN 0.836 nan 8.310 nan 0.000 0.476 137 C N 2.540 121.962 119.300 0.202 0.000 2.811 137 C HA 0.686 5.146 4.460 0.000 0.000 0.352 137 C C -1.183 173.798 174.990 -0.016 0.000 1.098 137 C CA -0.173 58.852 59.018 0.010 0.000 1.295 137 C CB 0.565 28.290 27.740 -0.027 0.000 1.758 137 C HN 0.899 nan 8.230 nan 0.000 0.488 138 V N 6.086 125.911 119.914 -0.148 0.000 2.350 138 V HA 0.447 4.568 4.120 0.000 0.000 0.276 138 V C -0.431 175.450 176.094 -0.356 0.000 1.028 138 V CA -0.122 62.093 62.300 -0.142 0.000 0.860 138 V CB 0.911 32.689 31.823 -0.076 0.000 0.990 138 V HN 0.887 nan 8.190 nan 0.000 0.453 139 W N 3.278 124.256 121.300 -0.536 0.000 2.448 139 W HA 0.657 5.318 4.660 0.003 0.000 0.339 139 W C 0.396 176.650 176.519 -0.442 0.000 1.124 139 W CA -0.415 56.500 57.345 -0.715 0.000 1.262 139 W CB 1.129 29.565 29.460 -1.707 0.000 1.251 139 W HN 0.659 nan 8.180 nan 0.000 0.597 140 E N 1.770 122.018 120.200 0.079 0.000 2.393 140 E HA 0.804 5.155 4.350 0.000 0.000 0.273 140 E C -1.788 175.034 176.600 0.370 0.000 0.918 140 E CA -1.065 55.477 56.400 0.236 0.000 0.773 140 E CB 2.893 32.663 29.700 0.117 0.000 1.275 140 E HN 0.530 nan 8.360 nan 0.000 0.451 141 I N 1.063 121.855 120.570 0.369 0.000 2.787 141 I HA 0.333 4.503 4.170 0.000 0.000 0.294 141 I C -2.848 173.370 176.117 0.168 0.000 1.365 141 I CA -2.614 58.860 61.300 0.291 0.000 1.029 141 I CB 2.866 41.102 38.000 0.394 0.000 1.313 141 I HN 0.482 nan 8.210 nan 0.000 0.431 142 P HA 0.176 nan 4.420 nan 0.000 0.271 142 P C 0.275 177.593 177.300 0.031 0.000 1.220 142 P CA -0.010 63.122 63.100 0.055 0.000 0.768 142 P CB 0.807 32.528 31.700 0.034 0.000 0.848 143 T N 1.261 115.826 114.554 0.017 0.000 2.759 143 T HA -0.180 4.171 4.350 0.000 0.000 0.269 143 T C 1.063 175.749 174.700 -0.025 0.000 1.042 143 T CA 2.031 64.126 62.100 -0.008 0.000 1.140 143 T CB -0.695 68.159 68.868 -0.022 0.000 0.864 143 T HN 0.563 nan 8.240 nan 0.000 0.455 144 D N 1.605 121.992 120.400 -0.021 0.000 2.363 144 D HA -0.017 4.623 4.640 0.000 0.000 0.226 144 D C 1.831 178.107 176.300 -0.039 0.000 1.020 144 D CA 0.692 54.674 54.000 -0.030 0.000 0.892 144 D CB -0.493 40.293 40.800 -0.023 0.000 0.900 144 D HN 0.509 nan 8.370 nan 0.000 0.531 145 S N -0.698 114.975 115.700 -0.043 0.000 2.535 145 S HA 0.139 4.609 4.470 0.000 0.000 0.214 145 S C 1.835 176.366 174.600 -0.114 0.000 0.980 145 S CA -0.414 57.749 58.200 -0.062 0.000 0.907 145 S CB -0.528 62.647 63.200 -0.042 0.000 0.790 145 S HN 0.242 nan 8.310 nan 0.000 0.510 146 I N 1.161 121.654 120.570 -0.128 0.000 2.233 146 I HA -0.099 4.071 4.170 0.000 0.000 0.243 146 I C 0.950 176.956 176.117 -0.186 0.000 1.093 146 I CA 0.764 61.932 61.300 -0.220 0.000 1.380 146 I CB -0.652 37.250 38.000 -0.162 0.000 1.067 146 I HN 0.292 nan 8.210 nan 0.000 0.413 147 Q N 1.053 120.788 119.800 -0.108 0.000 2.423 147 Q HA -0.174 4.166 4.340 0.000 0.000 0.332 147 Q C -0.804 175.152 176.000 -0.074 0.000 1.355 147 Q CA 0.445 56.200 55.803 -0.080 0.000 0.947 147 Q CB -1.492 27.200 28.738 -0.077 0.000 1.189 147 Q HN 0.528 nan 8.270 nan 0.000 0.418 148 I N 0.836 121.376 120.570 -0.050 0.000 2.436 148 I HA 0.257 4.427 4.170 0.000 0.000 0.289 148 I C -0.011 176.132 176.117 0.043 0.000 1.010 148 I CA -0.651 60.649 61.300 -0.000 0.000 1.098 148 I CB 1.806 39.813 38.000 0.012 0.000 1.266 148 I HN 0.037 nan 8.210 nan 0.000 0.434 149 Q N 5.777 125.612 119.800 0.058 0.000 3.064 149 Q HA 0.262 4.602 4.340 0.000 0.000 0.258 149 Q C -1.230 174.821 176.000 0.084 0.000 0.972 149 Q CA -0.178 55.657 55.803 0.054 0.000 0.761 149 Q CB 0.173 28.918 28.738 0.011 0.000 1.281 149 Q HN 0.523 nan 8.270 nan 0.000 0.455 150 H N 1.812 120.902 119.070 0.034 0.000 2.439 150 H HA 0.496 5.052 4.556 0.000 0.000 0.228 150 H C -1.134 174.222 175.328 0.048 0.000 1.423 150 H CA -0.074 55.994 56.048 0.034 0.000 1.386 150 H CB 0.355 30.138 29.762 0.035 0.000 1.641 150 H HN 0.545 nan 8.280 nan 0.000 0.508 151 A N 2.363 125.260 122.820 0.129 0.000 3.026 151 A HA 0.194 4.514 4.320 0.000 0.000 0.272 151 A C 1.302 178.954 177.584 0.113 0.000 1.782 151 A CA 0.021 52.130 52.037 0.121 0.000 1.451 151 A CB -0.328 18.719 19.000 0.080 0.000 1.081 151 A HN 0.578 nan 8.150 nan 0.000 0.611 152 S N 0.781 116.591 115.700 0.184 0.000 2.368 152 S HA -0.027 4.444 4.470 0.000 0.000 0.225 152 S C 0.725 175.378 174.600 0.087 0.000 1.030 152 S CA 0.973 59.262 58.200 0.149 0.000 0.999 152 S CB -0.284 63.022 63.200 0.176 0.000 0.844 152 S HN 0.652 nan 8.310 nan 0.000 0.459 153 L N 1.948 123.219 121.223 0.081 0.000 2.354 153 L HA 0.491 4.831 4.340 0.000 0.000 0.269 153 L C -2.614 174.293 176.870 0.061 0.000 1.005 153 L CA -2.488 52.387 54.840 0.059 0.000 0.819 153 L CB 1.875 43.963 42.059 0.048 0.000 1.311 153 L HN -0.051 nan 8.230 nan 0.000 0.423 154 P HA 0.374 nan 4.420 nan 0.000 0.276 154 P C -1.187 176.148 177.300 0.059 0.000 1.252 154 P CA -0.472 62.667 63.100 0.065 0.000 0.802 154 P CB 1.349 33.086 31.700 0.062 0.000 1.035 155 L N 0.698 121.967 121.223 0.076 0.000 2.334 155 L HA 0.524 4.864 4.340 0.000 0.000 0.273 155 L C 0.431 177.421 176.870 0.200 0.000 1.013 155 L CA -0.235 54.651 54.840 0.077 0.000 0.816 155 L CB 1.647 43.619 42.059 -0.145 0.000 1.278 155 L HN 0.416 nan 8.230 nan 0.000 0.431 156 E N 3.793 124.130 120.200 0.228 0.000 2.263 156 E HA 0.410 4.761 4.350 0.000 0.000 0.268 156 E C -2.714 173.880 176.600 -0.010 0.000 0.884 156 E CA -1.989 54.496 56.400 0.142 0.000 0.766 156 E CB 2.421 32.160 29.700 0.065 0.000 1.196 156 E HN 0.204 nan 8.360 nan 0.000 0.416 157 P HA 0.078 nan 4.420 nan 0.000 0.276 157 P C -0.535 176.646 177.300 -0.199 0.000 1.230 157 P CA -0.192 62.569 63.100 -0.566 0.000 0.776 157 P CB 1.108 32.516 31.700 -0.486 0.000 0.888 158 V N 1.112 120.953 119.914 -0.122 0.000 3.130 158 V HA 0.536 4.656 4.120 0.000 0.000 0.310 158 V C -0.388 175.717 176.094 0.019 0.000 1.158 158 V CA -1.158 61.143 62.300 0.002 0.000 1.029 158 V CB 1.808 33.681 31.823 0.084 0.000 1.057 158 V HN 0.192 nan 8.190 nan 0.000 0.436 159 V N 2.362 122.288 119.914 0.020 0.000 2.546 159 V HA 0.241 4.361 4.120 0.000 0.000 0.284 159 V C 1.056 177.126 176.094 -0.041 0.000 1.050 159 V CA 0.196 62.475 62.300 -0.035 0.000 0.981 159 V CB 1.065 32.861 31.823 -0.046 0.000 0.990 159 V HN 0.952 nan 8.190 nan 0.000 0.474 160 L N 4.397 125.488 121.223 -0.221 0.000 2.049 160 L HA 0.165 4.505 4.340 0.000 0.000 0.203 160 L C 1.568 178.244 176.870 -0.323 0.000 1.074 160 L CA 1.427 55.962 54.840 -0.508 0.000 0.749 160 L CB -0.440 41.270 42.059 -0.583 0.000 0.907 160 L HN 0.638 nan 8.230 nan 0.000 0.439 161 K N 1.354 121.626 120.400 -0.214 0.000 2.473 161 K HA -0.168 4.152 4.320 0.000 0.000 0.277 161 K C 0.069 176.574 176.600 -0.157 0.000 1.052 161 K CA 0.684 56.870 56.287 -0.168 0.000 1.114 161 K CB -0.136 32.292 32.500 -0.119 0.000 0.869 161 K HN 0.487 nan 8.250 nan 0.000 0.481 162 N N 1.400 119.984 118.700 -0.194 0.000 2.681 162 N HA -0.281 4.460 4.740 0.000 0.000 0.250 162 N C -0.851 174.564 175.510 -0.157 0.000 1.133 162 N CA 0.951 53.884 53.050 -0.194 0.000 0.732 162 N CB -1.259 37.144 38.487 -0.141 0.000 1.107 162 N HN 0.627 nan 8.380 nan 0.000 0.559 163 N N 1.199 119.822 118.700 -0.129 0.000 2.411 163 N HA 0.189 4.929 4.740 0.000 0.000 0.259 163 N C -1.547 173.957 175.510 -0.010 0.000 1.103 163 N CA -1.732 51.312 53.050 -0.011 0.000 0.954 163 N CB 1.060 39.636 38.487 0.147 0.000 1.085 163 N HN -0.009 nan 8.380 nan 0.000 0.485 164 P HA -0.006 nan 4.420 nan 0.000 0.229 164 P C 1.439 178.752 177.300 0.022 0.000 1.160 164 P CA 0.308 63.397 63.100 -0.019 0.000 0.777 164 P CB 0.408 32.095 31.700 -0.020 0.000 0.814 165 I N -1.343 119.220 120.570 -0.012 0.000 2.208 165 I HA -0.207 3.964 4.170 0.000 0.000 0.245 165 I C 2.066 178.118 176.117 -0.109 0.000 1.097 165 I CA 1.461 62.709 61.300 -0.087 0.000 1.363 165 I CB -1.614 36.272 38.000 -0.189 0.000 1.051 165 I HN -0.067 nan 8.210 nan 0.000 0.413 166 F N 0.626 120.509 119.950 -0.113 0.000 2.102 166 F HA -0.247 4.280 4.527 0.000 0.000 0.298 166 F C 2.853 178.694 175.800 0.068 0.000 1.105 166 F CA 2.033 59.926 58.000 -0.178 0.000 1.239 166 F CB -1.027 37.718 39.000 -0.424 0.000 0.991 166 F HN 0.175 nan 8.300 nan 0.000 0.474 167 H N 0.111 119.179 119.070 -0.004 0.000 2.352 167 H HA -0.146 4.410 4.556 0.000 0.000 0.299 167 H C 2.175 177.651 175.328 0.247 0.000 1.097 167 H CA 2.134 58.235 56.048 0.089 0.000 1.311 167 H CB -0.193 29.496 29.762 -0.123 0.000 1.377 167 H HN 0.162 nan 8.280 nan 0.000 0.504 168 E N 0.221 120.451 120.200 0.049 0.000 2.038 168 E HA -0.164 4.186 4.350 0.000 0.000 0.195 168 E C 2.510 179.105 176.600 -0.007 0.000 1.000 168 E CA 1.447 57.834 56.400 -0.022 0.000 0.803 168 E CB -0.213 29.503 29.700 0.026 0.000 0.750 168 E HN 0.517 nan 8.360 nan 0.000 0.448 169 L N -0.124 121.162 121.223 0.104 0.000 2.056 169 L HA -0.206 4.134 4.340 0.000 0.000 0.207 169 L C 2.594 179.552 176.870 0.147 0.000 1.078 169 L CA 1.189 56.106 54.840 0.129 0.000 0.749 169 L CB -0.573 41.642 42.059 0.261 0.000 0.901 169 L HN 0.176 nan 8.230 nan 0.000 0.433 170 Y N 0.724 121.192 120.300 0.279 0.000 2.097 170 Y HA -0.363 4.187 4.550 -0.000 0.000 0.282 170 Y C 2.910 178.817 175.900 0.012 0.000 1.152 170 Y CA 2.025 60.280 58.100 0.259 0.000 1.136 170 Y CB -0.378 38.416 38.460 0.556 0.000 0.975 170 Y HN 0.156 nan 8.280 nan 0.000 0.498 171 Q N 0.738 120.492 119.800 -0.076 0.000 2.156 171 Q HA -0.319 4.021 4.340 0.000 0.000 0.211 171 Q C 2.038 177.745 176.000 -0.489 0.000 0.995 171 Q CA 2.625 58.261 55.803 -0.277 0.000 0.877 171 Q CB -0.394 28.176 28.738 -0.279 0.000 0.920 171 Q HN 0.744 nan 8.270 nan 0.000 0.416 172 Q N -0.244 119.340 119.800 -0.360 0.000 2.046 172 Q HA -0.188 4.152 4.340 0.000 0.000 0.200 172 Q C 2.171 177.890 176.000 -0.469 0.000 0.975 172 Q CA 1.646 57.229 55.803 -0.367 0.000 0.836 172 Q CB -0.122 28.480 28.738 -0.227 0.000 0.896 172 Q HN 0.489 nan 8.270 nan 0.000 0.428 173 Q N 0.187 119.689 119.800 -0.496 0.000 2.167 173 Q HA -0.150 4.190 4.340 0.000 0.000 0.202 173 Q C 1.914 177.358 176.000 -0.926 0.000 0.970 173 Q CA 1.219 56.646 55.803 -0.628 0.000 0.855 173 Q CB -0.083 28.297 28.738 -0.596 0.000 0.911 173 Q HN 0.367 nan 8.270 nan 0.000 0.438 174 A N 0.655 122.881 122.820 -0.990 0.000 1.858 174 A HA -0.227 4.094 4.320 0.000 0.000 0.216 174 A C 2.081 178.991 177.584 -1.124 0.000 1.190 174 A CA 1.531 52.992 52.037 -0.959 0.000 0.617 174 A CB -0.813 17.708 19.000 -0.798 0.000 0.827 174 A HN 0.483 nan 8.150 nan 0.000 0.443 175 Q N -0.139 118.823 119.800 -1.395 0.000 2.226 175 Q HA -0.080 4.260 4.340 0.000 0.000 0.204 175 Q C 1.744 177.385 176.000 -0.598 0.000 0.975 175 Q CA 1.315 56.314 55.803 -1.340 0.000 0.866 175 Q CB -0.205 27.792 28.738 -1.236 0.000 0.915 175 Q HN 0.710 nan 8.270 nan 0.000 0.440 176 L N 0.067 120.967 121.223 -0.538 0.000 2.509 176 L HA 0.076 4.416 4.340 0.000 0.000 0.222 176 L C 0.326 177.016 176.870 -0.300 0.000 1.123 176 L CA 0.316 54.951 54.840 -0.342 0.000 0.856 176 L CB 0.355 42.227 42.059 -0.311 0.000 0.985 176 L HN -0.080 nan 8.230 nan 0.000 0.456 177 T N -1.576 112.715 114.554 -0.438 0.000 2.788 177 T HA 0.193 4.543 4.350 0.000 0.000 0.296 177 T C -0.508 174.054 174.700 -0.230 0.000 1.009 177 T CA -0.463 61.390 62.100 -0.411 0.000 0.949 177 T CB 0.842 69.129 68.868 -0.969 0.000 0.946 177 T HN -0.015 nan 8.240 nan 0.000 0.453 178 H N 2.055 121.030 119.070 -0.159 0.000 3.138 178 H HA 0.404 4.960 4.556 0.000 0.000 0.275 178 H C 1.396 176.593 175.328 -0.219 0.000 0.997 178 H CA 1.520 57.514 56.048 -0.091 0.000 1.460 178 H CB -0.340 29.483 29.762 0.102 0.000 1.524 178 H HN 0.977 nan 8.280 nan 0.000 0.532 179 G N 3.461 111.755 108.800 -0.843 0.000 2.218 179 G HA2 -0.269 3.692 3.960 0.000 0.000 0.216 179 G HA3 -0.269 3.692 3.960 0.000 0.000 0.216 179 G C -0.195 174.412 174.900 -0.488 0.000 0.994 179 G CA -0.160 44.395 45.100 -0.909 0.000 0.637 179 G HN 0.562 nan 8.290 nan 0.000 0.505 180 Y N 1.196 121.189 120.300 -0.513 0.000 2.480 180 Y HA 0.526 5.077 4.550 0.000 0.000 0.338 180 Y C 1.493 177.293 175.900 -0.166 0.000 1.220 180 Y CA -0.252 57.628 58.100 -0.366 0.000 1.430 180 Y CB 0.400 38.611 38.460 -0.416 0.000 1.311 180 Y HN 0.205 nan 8.280 nan 0.000 0.575 181 L N 3.350 124.523 121.223 -0.084 0.000 2.417 181 L HA 0.112 4.452 4.340 0.000 0.000 0.268 181 L C 0.026 177.069 176.870 0.289 0.000 1.158 181 L CA -0.366 54.465 54.840 -0.015 0.000 0.819 181 L CB 0.420 42.403 42.059 -0.126 0.000 1.112 181 L HN 0.554 nan 8.230 nan 0.000 0.458 182 D N 3.183 123.664 120.400 0.134 0.000 2.456 182 D HA 0.135 4.776 4.640 0.000 0.000 0.219 182 D C 0.017 176.401 176.300 0.140 0.000 1.126 182 D CA -0.417 53.756 54.000 0.288 0.000 0.890 182 D CB 0.433 41.249 40.800 0.027 0.000 1.025 182 D HN 0.279 nan 8.370 nan 0.000 0.511 183 R N 2.551 123.150 120.500 0.165 0.000 2.570 183 R HA 0.036 4.376 4.340 0.000 0.000 0.277 183 R C 0.807 177.140 176.300 0.056 0.000 1.039 183 R CA -0.155 55.925 56.100 -0.034 0.000 1.065 183 R CB 0.465 30.552 30.300 -0.355 0.000 0.964 183 R HN 0.517 nan 8.270 nan 0.000 0.428 184 H N 4.681 123.676 119.070 -0.125 0.000 2.707 184 H HA 0.029 4.585 4.556 0.000 0.000 0.359 184 H C -1.589 173.734 175.328 -0.008 0.000 1.113 184 H CA -1.772 54.217 56.048 -0.097 0.000 1.422 184 H CB 1.444 31.082 29.762 -0.206 0.000 1.443 184 H HN 0.361 nan 8.280 nan 0.000 0.591 185 P HA -0.187 nan 4.420 nan 0.000 0.217 185 P C 0.998 178.387 177.300 0.148 0.000 1.148 185 P CA 2.181 65.290 63.100 0.015 0.000 0.834 185 P CB -0.029 31.562 31.700 -0.182 0.000 0.783 186 A N -0.882 122.105 122.820 0.279 0.000 2.015 186 A HA -0.156 4.164 4.320 0.000 0.000 0.219 186 A C 2.051 179.657 177.584 0.036 0.000 1.163 186 A CA 1.198 53.308 52.037 0.121 0.000 0.646 186 A CB -1.212 17.792 19.000 0.006 0.000 0.806 186 A HN 0.061 nan 8.150 nan 0.000 0.448 187 I N -2.011 118.553 120.570 -0.011 0.000 2.202 187 I HA -0.219 3.952 4.170 0.000 0.000 0.242 187 I C 2.333 178.361 176.117 -0.148 0.000 1.091 187 I CA 0.851 62.065 61.300 -0.143 0.000 1.368 187 I CB -1.734 36.073 38.000 -0.322 0.000 1.058 187 I HN 0.550 nan 8.210 nan 0.000 0.410 188 W N 1.367 122.612 121.300 -0.093 0.000 2.358 188 W HA -0.184 4.476 4.660 0.001 0.000 0.303 188 W C 2.838 179.304 176.519 -0.087 0.000 1.208 188 W CA 0.568 57.847 57.345 -0.111 0.000 1.274 188 W CB -0.429 28.958 29.460 -0.121 0.000 1.138 188 W HN 0.161 nan 8.180 nan 0.000 0.515 189 Q N -0.259 119.641 119.800 0.166 0.000 2.077 189 Q HA -0.168 4.172 4.340 0.000 0.000 0.206 189 Q C 2.434 178.470 176.000 0.059 0.000 0.989 189 Q CA 2.002 57.853 55.803 0.079 0.000 0.853 189 Q CB -1.383 27.386 28.738 0.051 0.000 0.907 189 Q HN 0.471 nan 8.270 nan 0.000 0.418 190 G N 0.697 109.531 108.800 0.055 0.000 2.422 190 G HA2 -0.201 3.759 3.960 0.000 0.000 0.218 190 G HA3 -0.201 3.759 3.960 0.000 0.000 0.218 190 G C 1.573 176.500 174.900 0.046 0.000 1.146 190 G CA 0.511 45.647 45.100 0.061 0.000 0.769 190 G HN 0.257 nan 8.290 nan 0.000 0.547 191 L N 0.121 121.362 121.223 0.029 0.000 2.141 191 L HA -0.020 4.321 4.340 0.000 0.000 0.209 191 L C 2.409 179.295 176.870 0.027 0.000 1.094 191 L CA 1.007 55.864 54.840 0.029 0.000 0.763 191 L CB -0.218 41.849 42.059 0.012 0.000 0.908 191 L HN 0.208 nan 8.230 nan 0.000 0.437 192 N N -0.044 118.670 118.700 0.024 0.000 2.461 192 N HA -0.061 4.679 4.740 0.000 0.000 0.188 192 N C 0.617 176.116 175.510 -0.018 0.000 1.134 192 N CA 0.076 53.115 53.050 -0.019 0.000 0.878 192 N CB 0.218 38.689 38.487 -0.027 0.000 0.972 192 N HN 0.088 nan 8.380 nan 0.000 0.456 193 R N 0.283 120.787 120.500 0.007 0.000 2.312 193 R HA 0.299 4.640 4.340 0.000 0.000 0.311 193 R C -0.847 175.459 176.300 0.010 0.000 1.004 193 R CA -0.189 55.917 56.100 0.010 0.000 0.902 193 R CB 0.637 30.957 30.300 0.033 0.000 1.073 193 R HN 0.154 nan 8.270 nan 0.000 0.457 194 T N 0.934 115.487 114.554 -0.001 0.000 2.883 194 T HA 0.381 4.731 4.350 0.000 0.000 0.296 194 T C 0.108 174.811 174.700 0.004 0.000 1.117 194 T CA -0.966 61.135 62.100 0.002 0.000 1.006 194 T CB 1.010 69.868 68.868 -0.017 0.000 1.191 194 T HN 0.369 nan 8.240 nan 0.000 0.508 195 L N 1.673 122.903 121.223 0.012 0.000 2.483 195 L HA 0.178 4.519 4.340 0.000 0.000 0.276 195 L C 1.139 178.013 176.870 0.007 0.000 1.213 195 L CA -0.348 54.501 54.840 0.014 0.000 0.843 195 L CB 0.108 42.181 42.059 0.023 0.000 1.107 195 L HN 0.777 nan 8.230 nan 0.000 0.487 196 D N 0.241 120.645 120.400 0.008 0.000 2.190 196 D HA -0.163 4.477 4.640 0.000 0.000 0.200 196 D C 1.899 178.204 176.300 0.009 0.000 0.992 196 D CA 1.564 55.567 54.000 0.004 0.000 0.854 196 D CB -0.036 40.769 40.800 0.009 0.000 0.936 196 D HN 0.691 nan 8.370 nan 0.000 0.462 197 T N 0.658 115.223 114.554 0.018 0.000 2.685 197 T HA -0.204 4.146 4.350 0.000 0.000 0.268 197 T C 0.946 175.665 174.700 0.032 0.000 1.034 197 T CA 1.481 63.597 62.100 0.028 0.000 1.149 197 T CB -0.340 68.548 68.868 0.033 0.000 0.860 197 T HN 0.511 nan 8.240 nan 0.000 0.449 198 E N 0.469 120.682 120.200 0.023 0.000 2.263 198 E HA 0.516 4.866 4.350 0.000 0.000 0.264 198 E C -1.365 175.217 176.600 -0.031 0.000 0.923 198 E CA -0.904 55.512 56.400 0.026 0.000 0.802 198 E CB 1.617 31.348 29.700 0.051 0.000 1.228 198 E HN -0.108 nan 8.360 nan 0.000 0.417 199 T N 1.798 116.312 114.554 -0.066 0.000 2.859 199 T HA 0.352 4.702 4.350 0.000 0.000 0.281 199 T C -0.710 173.736 174.700 -0.424 0.000 1.005 199 T CA -0.673 61.260 62.100 -0.278 0.000 1.025 199 T CB 0.929 69.569 68.868 -0.380 0.000 0.977 199 T HN 0.385 nan 8.240 nan 0.000 0.458 200 L N 3.824 124.767 121.223 -0.468 0.000 2.275 200 L HA 0.532 4.872 4.340 0.000 0.000 0.288 200 L C -1.571 174.924 176.870 -0.624 0.000 1.046 200 L CA -0.468 54.142 54.840 -0.383 0.000 0.805 200 L CB 0.186 42.116 42.059 -0.215 0.000 1.193 200 L HN 0.568 nan 8.230 nan 0.000 0.426 201 Y N 2.774 122.872 120.300 -0.338 0.000 2.377 201 Y HA 0.684 5.234 4.550 -0.000 0.000 0.339 201 Y C 0.211 175.943 175.900 -0.280 0.000 1.011 201 Y CA -0.523 57.317 58.100 -0.433 0.000 1.093 201 Y CB 2.143 40.018 38.460 -0.975 0.000 1.201 201 Y HN 0.533 nan 8.280 nan 0.000 0.455 202 S N 2.591 118.317 115.700 0.043 0.000 2.619 202 S HA 0.610 5.081 4.470 0.000 0.000 0.280 202 S C -1.815 172.899 174.600 0.189 0.000 1.150 202 S CA -0.834 57.487 58.200 0.201 0.000 0.978 202 S CB 0.746 63.964 63.200 0.030 0.000 1.041 202 S HN 0.459 nan 8.310 nan 0.000 0.485 203 Y N 1.337 121.841 120.300 0.340 0.000 2.512 203 Y HA 0.565 5.115 4.550 0.000 0.000 0.348 203 Y C -0.342 175.674 175.900 0.193 0.000 0.990 203 Y CA -0.939 57.282 58.100 0.202 0.000 1.033 203 Y CB 1.191 39.664 38.460 0.022 0.000 1.259 203 Y HN 0.457 nan 8.280 nan 0.000 0.461 204 L N 4.090 125.428 121.223 0.192 0.000 2.325 204 L HA 0.543 4.883 4.340 0.000 0.000 0.279 204 L C -0.698 176.229 176.870 0.095 0.000 1.054 204 L CA -0.655 54.233 54.840 0.080 0.000 0.804 204 L CB 1.228 43.262 42.059 -0.042 0.000 1.200 204 L HN 0.490 nan 8.230 nan 0.000 0.436 205 I N 2.035 122.653 120.570 0.080 0.000 2.339 205 I HA 0.723 4.893 4.170 0.000 0.000 0.290 205 I C 0.436 176.573 176.117 0.033 0.000 0.994 205 I CA -0.174 61.154 61.300 0.047 0.000 1.191 205 I CB 1.509 39.540 38.000 0.052 0.000 1.343 205 I HN 0.758 nan 8.210 nan 0.000 0.458 206 G N 4.500 113.318 108.800 0.029 0.000 2.347 206 G HA2 -0.004 3.956 3.960 0.000 0.000 0.321 206 G HA3 -0.004 3.956 3.960 0.000 0.000 0.321 206 G C -1.597 173.317 174.900 0.023 0.000 1.412 206 G CA -0.983 44.130 45.100 0.022 0.000 0.990 206 G HN 0.424 nan 8.290 nan 0.000 0.637 207 D N 0.837 121.249 120.400 0.019 0.000 2.361 207 D HA 0.500 5.140 4.640 0.000 0.000 0.239 207 D C 1.160 177.467 176.300 0.012 0.000 1.200 207 D CA 0.785 54.796 54.000 0.018 0.000 0.915 207 D CB 0.540 41.349 40.800 0.016 0.000 1.170 207 D HN 0.912 nan 8.370 nan 0.000 0.444 208 K N 0.942 121.349 120.400 0.012 0.000 2.511 208 K HA -0.008 4.313 4.320 0.000 0.000 0.280 208 K C 0.543 177.144 176.600 0.001 0.000 1.008 208 K CA 0.078 56.369 56.287 0.007 0.000 1.050 208 K CB -0.423 32.082 32.500 0.009 0.000 0.889 208 K HN 0.555 nan 8.250 nan 0.000 0.484 209 D N -1.228 119.168 120.400 -0.006 0.000 3.077 209 D HA -0.151 4.489 4.640 0.000 0.000 0.217 209 D C 0.266 176.560 176.300 -0.010 0.000 1.162 209 D CA 2.142 56.136 54.000 -0.010 0.000 0.943 209 D CB -1.611 39.185 40.800 -0.007 0.000 1.122 209 D HN 1.042 nan 8.370 nan 0.000 0.413 210 K N -0.357 120.038 120.400 -0.008 0.000 3.253 210 K HA 0.426 4.747 4.320 0.000 0.000 0.174 210 K C -2.806 173.788 176.600 -0.009 0.000 1.071 210 K CA -1.000 55.282 56.287 -0.008 0.000 0.836 210 K CB 0.565 33.063 32.500 -0.004 0.000 0.922 210 K HN 0.023 nan 8.250 nan 0.000 0.565 211 P HA 0.144 nan 4.420 nan 0.000 0.268 211 P C -0.307 176.987 177.300 -0.010 0.000 1.204 211 P CA 0.276 63.367 63.100 -0.016 0.000 0.768 211 P CB 1.264 32.941 31.700 -0.038 0.000 0.842 212 Q N 0.700 120.500 119.800 -0.001 0.000 2.164 212 Q HA 0.385 4.725 4.340 0.000 0.000 0.226 212 Q C 0.675 176.670 176.000 -0.008 0.000 0.813 212 Q CA -0.108 55.689 55.803 -0.009 0.000 0.978 212 Q CB 1.125 29.857 28.738 -0.009 0.000 1.149 212 Q HN 0.739 nan 8.270 nan 0.000 0.489 213 G N 0.605 109.417 108.800 0.021 0.000 2.320 213 G HA2 0.351 4.311 3.960 0.000 0.000 0.296 213 G HA3 0.351 4.311 3.960 0.000 0.000 0.296 213 G C -2.201 172.782 174.900 0.138 0.000 1.306 213 G CA -0.632 44.478 45.100 0.018 0.000 0.836 213 G HN 0.106 nan 8.290 nan 0.000 0.517 214 Y N -1.835 118.560 120.300 0.159 0.000 2.656 214 Y HA 0.833 5.383 4.550 -0.000 0.000 0.334 214 Y C -1.366 174.777 175.900 0.405 0.000 1.179 214 Y CA -1.950 56.284 58.100 0.225 0.000 1.050 214 Y CB 1.035 39.578 38.460 0.138 0.000 1.308 214 Y HN 0.689 nan 8.280 nan 0.000 0.456 215 I N 3.007 124.026 120.570 0.749 0.000 2.569 215 I HA 0.535 4.706 4.170 0.000 0.000 0.290 215 I C -1.233 175.369 176.117 0.808 0.000 1.088 215 I CA -0.846 60.897 61.300 0.737 0.000 1.047 215 I CB 2.343 40.651 38.000 0.514 0.000 1.237 215 I HN 0.566 nan 8.210 nan 0.000 0.421 216 I N 6.513 127.530 120.570 0.746 0.000 2.436 216 I HA 0.557 4.727 4.170 0.000 0.000 0.289 216 I C -0.926 175.524 176.117 0.556 0.000 1.010 216 I CA -0.601 61.012 61.300 0.522 0.000 1.098 216 I CB 1.627 39.847 38.000 0.366 0.000 1.266 216 I HN 0.497 nan 8.210 nan 0.000 0.434 217 F N 3.001 123.161 119.950 0.351 0.000 2.711 217 F HA 0.838 5.365 4.527 -0.000 0.000 0.313 217 F C -0.770 175.228 175.800 0.330 0.000 1.141 217 F CA -0.706 57.478 58.000 0.308 0.000 0.941 217 F CB 1.480 40.639 39.000 0.265 0.000 1.349 217 F HN 0.402 nan 8.300 nan 0.000 0.464 218 T N -1.021 113.829 114.554 0.493 0.000 2.916 218 T HA 0.768 5.118 4.350 0.000 0.000 0.292 218 T C -1.288 173.695 174.700 0.472 0.000 1.064 218 T CA -0.844 61.496 62.100 0.399 0.000 1.011 218 T CB 2.281 71.283 68.868 0.223 0.000 1.152 218 T HN 0.847 nan 8.240 nan 0.000 0.510 219 Q N 0.155 120.190 119.800 0.391 0.000 2.423 219 Q HA 0.658 4.998 4.340 0.000 0.000 0.278 219 Q C -1.239 174.882 176.000 0.201 0.000 1.097 219 Q CA -1.026 54.945 55.803 0.281 0.000 0.809 219 Q CB 2.894 31.797 28.738 0.276 0.000 1.391 219 Q HN 0.926 nan 8.270 nan 0.000 0.428 220 E N 0.355 120.640 120.200 0.142 0.000 2.416 220 E HA 0.535 4.885 4.350 0.000 0.000 0.280 220 E C -1.286 175.364 176.600 0.082 0.000 1.055 220 E CA -1.075 55.391 56.400 0.109 0.000 0.825 220 E CB 1.724 31.481 29.700 0.095 0.000 1.312 220 E HN 0.345 nan 8.360 nan 0.000 0.452 221 R N 0.868 121.409 120.500 0.068 0.000 2.338 221 R HA 0.487 4.827 4.340 0.000 0.000 0.317 221 R C -0.261 176.067 176.300 0.045 0.000 0.968 221 R CA -0.387 55.745 56.100 0.053 0.000 0.849 221 R CB 1.949 32.278 30.300 0.048 0.000 1.128 221 R HN 0.803 nan 8.270 nan 0.000 0.448 222 T N -1.424 113.153 114.554 0.039 0.000 2.768 222 T HA 0.395 4.745 4.350 0.000 0.000 0.268 222 T C 1.469 176.185 174.700 0.026 0.000 0.969 222 T CA -0.266 61.854 62.100 0.032 0.000 1.008 222 T CB 1.176 70.063 68.868 0.032 0.000 1.371 222 T HN 0.544 nan 8.240 nan 0.000 0.587 223 R N 0.393 120.906 120.500 0.022 0.000 2.075 223 R HA -0.008 4.333 4.340 0.000 0.000 0.232 223 R C 1.842 178.153 176.300 0.017 0.000 1.126 223 R CA 2.132 58.243 56.100 0.018 0.000 0.963 223 R CB -2.012 28.297 30.300 0.015 0.000 0.858 223 R HN 0.831 nan 8.270 nan 0.000 0.435 224 D N -1.002 119.409 120.400 0.018 0.000 2.218 224 D HA 0.148 4.788 4.640 0.000 0.000 0.204 224 D C 1.184 177.496 176.300 0.020 0.000 0.976 224 D CA 1.710 55.721 54.000 0.018 0.000 0.853 224 D CB 0.254 41.065 40.800 0.018 0.000 0.939 224 D HN 0.735 nan 8.370 nan 0.000 0.481 225 G N -0.587 108.227 108.800 0.023 0.000 2.291 225 G HA2 0.130 4.090 3.960 0.000 0.000 0.249 225 G HA3 0.130 4.090 3.960 0.000 0.000 0.249 225 G C -1.136 173.782 174.900 0.031 0.000 1.340 225 G CA -0.101 45.013 45.100 0.024 0.000 1.017 225 G HN 0.287 nan 8.290 nan 0.000 0.470 226 S N -0.779 114.940 115.700 0.031 0.000 2.549 226 S HA 0.830 5.300 4.470 0.000 0.000 0.297 226 S C -0.458 174.165 174.600 0.039 0.000 1.115 226 S CA -0.350 57.873 58.200 0.038 0.000 1.059 226 S CB 1.957 65.178 63.200 0.036 0.000 1.046 226 S HN 1.565 nan 8.310 nan 0.000 0.506 227 I N 1.971 122.571 120.570 0.051 0.000 2.722 227 I HA 0.555 4.725 4.170 0.000 0.000 0.295 227 I C -1.875 174.280 176.117 0.064 0.000 1.161 227 I CA -1.244 60.088 61.300 0.054 0.000 1.032 227 I CB 1.896 39.935 38.000 0.065 0.000 1.244 227 I HN 0.864 nan 8.210 nan 0.000 0.421 228 L N 7.446 128.689 121.223 0.033 0.000 2.298 228 L HA 0.607 4.947 4.340 0.000 0.000 0.284 228 L C -0.969 175.954 176.870 0.088 0.000 1.013 228 L CA -0.459 54.393 54.840 0.021 0.000 0.824 228 L CB 0.705 42.630 42.059 -0.223 0.000 1.221 228 L HN 0.598 nan 8.230 nan 0.000 0.418 229 R N 6.411 127.026 120.500 0.192 0.000 2.246 229 R HA 0.458 4.798 4.340 0.000 0.000 0.332 229 R C -0.845 175.646 176.300 0.318 0.000 0.974 229 R CA -0.579 55.656 56.100 0.225 0.000 0.837 229 R CB 1.235 31.651 30.300 0.194 0.000 1.145 229 R HN 0.612 nan 8.270 nan 0.000 0.467 230 I N 4.765 125.539 120.570 0.340 0.000 2.379 230 I HA 0.041 4.211 4.170 0.000 0.000 0.290 230 I C 1.707 178.101 176.117 0.462 0.000 1.063 230 I CA 0.074 61.642 61.300 0.447 0.000 1.351 230 I CB 0.687 38.959 38.000 0.452 0.000 1.410 230 I HN 0.599 nan 8.210 nan 0.000 0.505 231 R N 3.049 123.800 120.500 0.419 0.000 2.223 231 R HA 0.265 4.606 4.340 0.000 0.000 0.198 231 R C -0.254 176.243 176.300 0.327 0.000 0.984 231 R CA 0.054 56.347 56.100 0.321 0.000 1.018 231 R CB 0.214 30.647 30.300 0.223 0.000 0.945 231 R HN 0.497 nan 8.270 nan 0.000 0.479 232 D N -0.276 120.383 120.400 0.431 0.000 2.717 232 D HA 0.285 4.925 4.640 0.000 0.000 0.223 232 D C -1.704 174.934 176.300 0.563 0.000 1.240 232 D CA -0.664 53.564 54.000 0.379 0.000 0.801 232 D CB 1.465 42.465 40.800 0.332 0.000 1.556 232 D HN 0.221 nan 8.370 nan 0.000 0.462 233 W N 1.674 123.156 121.300 0.304 0.000 3.137 233 W HA 0.723 5.383 4.660 -0.000 0.000 0.324 233 W C -2.053 174.318 176.519 -0.247 0.000 1.253 233 W CA -0.920 56.474 57.345 0.082 0.000 1.183 233 W CB 0.371 29.950 29.460 0.200 0.000 1.424 233 W HN 0.268 nan 8.180 nan 0.000 0.566 234 V N 2.055 121.775 119.914 -0.324 0.000 2.686 234 V HA 0.599 4.719 4.120 0.000 0.000 0.306 234 V C -0.439 175.620 176.094 -0.058 0.000 1.065 234 V CA -0.609 61.489 62.300 -0.337 0.000 0.894 234 V CB 2.252 33.692 31.823 -0.639 0.000 1.004 234 V HN 0.598 nan 8.190 nan 0.000 0.424 235 T N 2.343 116.910 114.554 0.023 0.000 2.985 235 T HA 0.562 4.912 4.350 0.000 0.000 0.315 235 T C 0.238 174.902 174.700 -0.059 0.000 1.001 235 T CA -0.485 61.587 62.100 -0.046 0.000 1.016 235 T CB 0.921 69.691 68.868 -0.164 0.000 0.993 235 T HN 0.312 nan 8.240 nan 0.000 0.454 236 L N 1.917 123.097 121.223 -0.072 0.000 2.529 236 L HA 0.290 4.630 4.340 0.000 0.000 0.223 236 L C 1.163 177.993 176.870 -0.067 0.000 1.113 236 L CA -0.005 54.785 54.840 -0.082 0.000 0.861 236 L CB -0.056 41.953 42.059 -0.084 0.000 1.012 236 L HN 0.876 nan 8.230 nan 0.000 0.461 237 S N -3.032 112.633 115.700 -0.057 0.000 2.638 237 S HA 0.218 4.688 4.470 0.000 0.000 0.274 237 S C 0.203 174.772 174.600 -0.051 0.000 1.157 237 S CA -0.693 57.478 58.200 -0.048 0.000 0.826 237 S CB 1.721 64.899 63.200 -0.036 0.000 1.139 237 S HN -0.026 nan 8.310 nan 0.000 0.474 238 N N 1.415 120.087 118.700 -0.047 0.000 2.120 238 N HA 0.066 4.806 4.740 0.000 0.000 0.188 238 N C -1.230 174.250 175.510 -0.051 0.000 1.024 238 N CA 1.627 54.645 53.050 -0.054 0.000 0.852 238 N CB -1.253 37.201 38.487 -0.055 0.000 1.003 238 N HN 0.495 nan 8.380 nan 0.000 0.424 239 P HA -0.062 nan 4.420 nan 0.000 0.218 239 P C 0.785 178.090 177.300 0.008 0.000 1.148 239 P CA 1.521 64.620 63.100 -0.002 0.000 0.822 239 P CB -0.176 31.533 31.700 0.016 0.000 0.784 240 A N -0.791 122.022 122.820 -0.012 0.000 1.929 240 A HA -0.115 4.205 4.320 0.000 0.000 0.216 240 A C 2.270 179.835 177.584 -0.031 0.000 1.176 240 A CA 1.504 53.535 52.037 -0.011 0.000 0.628 240 A CB -1.572 17.410 19.000 -0.030 0.000 0.816 240 A HN 0.020 nan 8.150 nan 0.000 0.444 241 V N 0.125 119.991 119.914 -0.080 0.000 2.295 241 V HA -0.259 3.861 4.120 0.000 0.000 0.246 241 V C 2.695 178.804 176.094 0.025 0.000 1.049 241 V CA 1.971 64.191 62.300 -0.133 0.000 1.024 241 V CB -0.819 30.924 31.823 -0.133 0.000 0.648 241 V HN 0.526 nan 8.190 nan 0.000 0.447 242 Q N 0.006 119.833 119.800 0.045 0.000 2.124 242 Q HA -0.150 4.190 4.340 0.000 0.000 0.202 242 Q C 2.510 178.606 176.000 0.160 0.000 0.977 242 Q CA 1.934 57.794 55.803 0.095 0.000 0.850 242 Q CB -0.604 28.096 28.738 -0.064 0.000 0.901 242 Q HN 0.630 nan 8.270 nan 0.000 0.429 243 S N 0.638 116.412 115.700 0.124 0.000 2.383 243 S HA -0.087 4.383 4.470 0.000 0.000 0.227 243 S C 1.540 176.224 174.600 0.140 0.000 1.026 243 S CA 0.712 58.989 58.200 0.128 0.000 0.981 243 S CB -0.328 62.926 63.200 0.089 0.000 0.818 243 S HN 0.397 nan 8.310 nan 0.000 0.472 244 F N 1.014 120.901 119.950 -0.105 0.000 2.046 244 F HA -0.149 4.378 4.527 -0.000 0.000 0.297 244 F C 1.893 177.580 175.800 -0.190 0.000 1.123 244 F CA 1.531 59.392 58.000 -0.231 0.000 1.199 244 F CB -0.491 38.217 39.000 -0.488 0.000 0.972 244 F HN 0.230 nan 8.300 nan 0.000 0.474 245 W N 0.473 121.800 121.300 0.046 0.000 2.358 245 W HA -0.183 4.476 4.660 -0.002 0.000 0.303 245 W C 2.610 179.063 176.519 -0.110 0.000 1.208 245 W CA 1.501 58.773 57.345 -0.123 0.000 1.274 245 W CB -0.922 28.501 29.460 -0.061 0.000 1.138 245 W HN -0.104 nan 8.180 nan 0.000 0.515 246 T N 0.568 115.253 114.554 0.218 0.000 2.684 246 T HA -0.300 4.050 4.350 0.000 0.000 0.267 246 T C 1.383 176.140 174.700 0.095 0.000 1.036 246 T CA 1.671 63.855 62.100 0.139 0.000 1.148 246 T CB -0.757 68.199 68.868 0.146 0.000 0.863 246 T HN 0.111 nan 8.240 nan 0.000 0.436 247 F N 1.539 121.447 119.950 -0.072 0.000 2.102 247 F HA -0.043 4.485 4.527 0.001 0.000 0.298 247 F C 1.985 177.734 175.800 -0.084 0.000 1.105 247 F CA 1.029 58.962 58.000 -0.112 0.000 1.239 247 F CB -0.449 38.450 39.000 -0.169 0.000 0.991 247 F HN 0.089 nan 8.300 nan 0.000 0.474 248 I N 0.317 120.767 120.570 -0.200 0.000 2.226 248 I HA -0.296 3.874 4.170 0.000 0.000 0.245 248 I C 2.686 178.721 176.117 -0.138 0.000 1.100 248 I CA 1.221 62.331 61.300 -0.317 0.000 1.374 248 I CB -1.001 36.737 38.000 -0.437 0.000 1.057 248 I HN 0.238 nan 8.210 nan 0.000 0.413 249 A N 0.741 123.529 122.820 -0.054 0.000 1.978 249 A HA -0.198 4.122 4.320 0.000 0.000 0.220 249 A C 1.867 179.405 177.584 -0.077 0.000 1.170 249 A CA 1.702 53.714 52.037 -0.041 0.000 0.636 249 A CB -0.622 18.369 19.000 -0.015 0.000 0.810 249 A HN 0.424 nan 8.150 nan 0.000 0.448 250 N N -0.635 117.991 118.700 -0.124 0.000 2.521 250 N HA -0.045 4.695 4.740 0.000 0.000 0.188 250 N C 0.362 175.682 175.510 -0.318 0.000 1.146 250 N CA 0.632 53.561 53.050 -0.202 0.000 0.893 250 N CB -0.318 38.037 38.487 -0.219 0.000 0.975 250 N HN 0.672 nan 8.380 nan 0.000 0.451 251 H N -0.437 118.446 119.070 -0.312 0.000 2.529 251 H HA 0.154 4.710 4.556 0.000 0.000 0.277 251 H C 1.729 176.951 175.328 -0.176 0.000 1.004 251 H CA -0.033 55.844 56.048 -0.285 0.000 1.167 251 H CB 0.372 29.914 29.762 -0.367 0.000 1.445 251 H HN 0.265 nan 8.280 nan 0.000 0.554 252 R N 0.155 120.623 120.500 -0.053 0.000 2.152 252 R HA -0.102 4.238 4.340 0.000 0.000 0.232 252 R C 1.574 177.851 176.300 -0.039 0.000 1.117 252 R CA 1.691 57.767 56.100 -0.041 0.000 0.981 252 R CB -0.381 29.892 30.300 -0.045 0.000 0.870 252 R HN 0.288 nan 8.270 nan 0.000 0.451 253 S N -0.733 114.934 115.700 -0.055 0.000 2.496 253 S HA -0.046 4.424 4.470 0.000 0.000 0.224 253 S C 1.672 176.253 174.600 -0.033 0.000 0.996 253 S CA 0.597 58.771 58.200 -0.044 0.000 0.927 253 S CB 0.419 63.588 63.200 -0.052 0.000 0.774 253 S HN 0.401 nan 8.310 nan 0.000 0.524 254 Q N -0.274 119.508 119.800 -0.031 0.000 2.245 254 Q HA 0.441 4.781 4.340 0.000 0.000 0.250 254 Q C -0.616 175.389 176.000 0.008 0.000 0.830 254 Q CA 0.111 55.908 55.803 -0.009 0.000 0.950 254 Q CB 0.678 29.410 28.738 -0.010 0.000 1.124 254 Q HN 0.419 nan 8.270 nan 0.000 0.502 255 I N 1.740 122.314 120.570 0.007 0.000 2.362 255 I HA 0.186 4.356 4.170 0.000 0.000 0.289 255 I C 0.077 176.195 176.117 0.001 0.000 0.994 255 I CA -0.186 61.117 61.300 0.006 0.000 1.158 255 I CB 1.622 39.612 38.000 -0.017 0.000 1.315 255 I HN 0.077 nan 8.210 nan 0.000 0.451 256 D N 4.335 124.741 120.400 0.010 0.000 2.137 256 D HA -0.040 4.600 4.640 0.000 0.000 0.202 256 D C 0.796 177.109 176.300 0.022 0.000 0.970 256 D CA 1.357 55.365 54.000 0.013 0.000 0.837 256 D CB 0.779 41.590 40.800 0.019 0.000 0.981 256 D HN 0.431 nan 8.370 nan 0.000 0.475 257 K N 0.234 120.652 120.400 0.029 0.000 2.464 257 K HA 0.459 4.779 4.320 0.000 0.000 0.253 257 K C -1.668 174.967 176.600 0.058 0.000 0.933 257 K CA -0.552 55.768 56.287 0.055 0.000 0.801 257 K CB 2.674 35.211 32.500 0.063 0.000 1.271 257 K HN -0.302 nan 8.250 nan 0.000 0.430 258 V N 2.374 122.351 119.914 0.105 0.000 2.604 258 V HA 0.487 4.608 4.120 0.000 0.000 0.305 258 V C -0.389 175.882 176.094 0.296 0.000 1.043 258 V CA -0.677 61.697 62.300 0.124 0.000 0.888 258 V CB 1.792 33.644 31.823 0.049 0.000 0.995 258 V HN 0.994 nan 8.190 nan 0.000 0.429 259 T N 0.852 115.585 114.554 0.299 0.000 2.887 259 T HA 0.842 5.192 4.350 0.000 0.000 0.288 259 T C -1.038 173.989 174.700 0.544 0.000 1.021 259 T CA -0.647 61.685 62.100 0.387 0.000 1.000 259 T CB 1.934 70.927 68.868 0.209 0.000 1.034 259 T HN 0.988 nan 8.240 nan 0.000 0.467 260 W N 0.399 121.851 121.300 0.253 0.000 3.075 260 W HA 0.753 5.413 4.660 0.000 0.000 0.334 260 W C -1.832 174.942 176.519 0.426 0.000 1.243 260 W CA -1.264 56.276 57.345 0.325 0.000 1.170 260 W CB 1.294 30.894 29.460 0.234 0.000 1.452 260 W HN 0.658 nan 8.180 nan 0.000 0.572 261 K N 2.254 122.983 120.400 0.549 0.000 2.185 261 K HA 0.665 4.985 4.320 0.000 0.000 0.269 261 K C -0.597 176.389 176.600 0.642 0.000 0.987 261 K CA -0.604 55.941 56.287 0.431 0.000 0.865 261 K CB 1.916 34.667 32.500 0.419 0.000 1.090 261 K HN 0.522 nan 8.250 nan 0.000 0.450 262 S N 0.653 116.555 115.700 0.336 0.000 2.880 262 S HA 0.332 4.803 4.470 0.000 0.000 0.308 262 S C -0.993 173.318 174.600 -0.482 0.000 1.195 262 S CA -0.641 57.545 58.200 -0.022 0.000 0.866 262 S CB 1.328 64.557 63.200 0.049 0.000 1.254 262 S HN 0.525 nan 8.310 nan 0.000 0.571 263 S N 0.149 115.197 115.700 -1.087 0.000 2.614 263 S HA 0.321 4.791 4.470 0.000 0.000 0.265 263 S C 1.294 175.861 174.600 -0.055 0.000 1.303 263 S CA -0.203 57.504 58.200 -0.821 0.000 1.000 263 S CB 0.662 63.305 63.200 -0.928 0.000 0.935 263 S HN 0.504 nan 8.310 nan 0.000 0.551 264 V N 2.598 122.526 119.914 0.024 0.000 2.427 264 V HA -0.019 4.101 4.120 0.000 0.000 0.248 264 V C 0.932 177.178 176.094 0.253 0.000 1.051 264 V CA 1.061 63.448 62.300 0.144 0.000 1.048 264 V CB -0.417 31.435 31.823 0.048 0.000 0.666 264 V HN 0.687 nan 8.190 nan 0.000 0.456 265 I N 2.061 122.699 120.570 0.114 0.000 2.234 265 I HA 0.227 4.397 4.170 0.000 0.000 0.287 265 I C 0.057 176.177 176.117 0.005 0.000 1.131 265 I CA -0.339 61.022 61.300 0.102 0.000 1.335 265 I CB -0.437 37.601 38.000 0.062 0.000 1.511 265 I HN 0.299 nan 8.210 nan 0.000 0.588 266 D N 3.197 123.576 120.400 -0.035 0.000 2.425 266 D HA 0.245 4.885 4.640 0.000 0.000 0.247 266 D C 1.155 177.356 176.300 -0.166 0.000 1.147 266 D CA 0.063 53.921 54.000 -0.237 0.000 0.879 266 D CB 1.580 41.960 40.800 -0.699 0.000 1.179 266 D HN 0.516 nan 8.370 nan 0.000 0.456 267 A N 3.856 126.619 122.820 -0.095 0.000 2.030 267 A HA 0.032 4.352 4.320 0.000 0.000 0.215 267 A C 2.117 179.676 177.584 -0.042 0.000 1.164 267 A CA 0.239 52.246 52.037 -0.049 0.000 0.697 267 A CB -0.417 18.577 19.000 -0.010 0.000 0.827 267 A HN 0.730 nan 8.150 nan 0.000 0.457 268 L N 0.385 121.573 121.223 -0.058 0.000 2.131 268 L HA -0.158 4.182 4.340 0.000 0.000 0.210 268 L C 2.752 179.759 176.870 0.228 0.000 1.092 268 L CA 1.801 56.660 54.840 0.033 0.000 0.759 268 L CB -1.003 40.905 42.059 -0.252 0.000 0.903 268 L HN 0.608 nan 8.230 nan 0.000 0.435 269 T N -2.127 112.461 114.554 0.057 0.000 3.051 269 T HA -0.128 4.222 4.350 0.000 0.000 0.269 269 T C 1.733 176.368 174.700 -0.108 0.000 1.127 269 T CA 0.436 62.497 62.100 -0.065 0.000 1.107 269 T CB -0.283 68.502 68.868 -0.139 0.000 0.898 269 T HN 0.157 nan 8.240 nan 0.000 0.517 270 L N 0.676 121.861 121.223 -0.062 0.000 2.131 270 L HA 0.223 4.563 4.340 0.000 0.000 0.210 270 L C 2.016 178.833 176.870 -0.088 0.000 1.092 270 L CA 1.463 56.266 54.840 -0.062 0.000 0.759 270 L CB -0.565 41.472 42.059 -0.036 0.000 0.903 270 L HN 0.318 nan 8.230 nan 0.000 0.435 271 L N -0.867 120.297 121.223 -0.098 0.000 2.554 271 L HA 0.029 4.369 4.340 0.000 0.000 0.226 271 L C 0.717 177.412 176.870 -0.292 0.000 1.137 271 L CA -0.241 54.513 54.840 -0.144 0.000 0.863 271 L CB -0.381 41.651 42.059 -0.044 0.000 0.985 271 L HN 0.143 nan 8.230 nan 0.000 0.451 272 L N 0.935 121.918 121.223 -0.401 0.000 2.452 272 L HA 0.098 4.439 4.340 0.000 0.000 0.267 272 L C -0.758 175.965 176.870 -0.244 0.000 1.188 272 L CA -1.306 53.268 54.840 -0.444 0.000 0.821 272 L CB 0.062 41.826 42.059 -0.493 0.000 1.102 272 L HN -0.118 nan 8.230 nan 0.000 0.470 273 P HA -0.028 nan 4.420 nan 0.000 0.219 273 P C -0.058 177.180 177.300 -0.102 0.000 1.150 273 P CA 1.250 64.273 63.100 -0.129 0.000 0.814 273 P CB 0.396 32.030 31.700 -0.111 0.000 0.787 274 E N -0.821 119.313 120.200 -0.111 0.000 2.416 274 E HA 0.245 4.595 4.350 0.000 0.000 0.273 274 E C -0.357 176.205 176.600 -0.063 0.000 0.935 274 E CA -0.719 55.639 56.400 -0.071 0.000 0.784 274 E CB 0.992 30.660 29.700 -0.053 0.000 1.301 274 E HN 0.035 nan 8.360 nan 0.000 0.454 275 Q N 0.910 120.696 119.800 -0.024 0.000 3.004 275 Q HA 0.095 4.436 4.340 0.000 0.000 0.256 275 Q C 0.590 176.612 176.000 0.037 0.000 1.387 275 Q CA -0.044 55.767 55.803 0.013 0.000 0.962 275 Q CB -0.224 28.535 28.738 0.035 0.000 1.676 275 Q HN 0.427 nan 8.270 nan 0.000 0.568 276 S N -1.303 114.411 115.700 0.023 0.000 2.535 276 S HA 0.251 4.721 4.470 0.000 0.000 0.214 276 S C 0.854 175.525 174.600 0.118 0.000 0.980 276 S CA -0.337 57.889 58.200 0.044 0.000 0.907 276 S CB 0.526 63.725 63.200 -0.002 0.000 0.790 276 S HN 0.420 nan 8.310 nan 0.000 0.510 277 A N 2.180 125.116 122.820 0.194 0.000 2.310 277 A HA 0.674 4.994 4.320 0.000 0.000 0.299 277 A C 0.427 178.246 177.584 0.391 0.000 1.147 277 A CA -0.335 51.923 52.037 0.369 0.000 0.818 277 A CB 0.557 19.882 19.000 0.541 0.000 1.096 277 A HN 0.504 nan 8.150 nan 0.000 0.495 278 T N -0.854 113.882 114.554 0.303 0.000 2.901 278 T HA 0.667 5.017 4.350 0.000 0.000 0.293 278 T C -0.372 174.188 174.700 -0.233 0.000 1.084 278 T CA -0.558 61.582 62.100 0.067 0.000 1.008 278 T CB 0.848 69.720 68.868 0.005 0.000 1.170 278 T HN 0.401 nan 8.240 nan 0.000 0.509 279 I N 2.035 122.270 120.570 -0.559 0.000 2.337 279 I HA 0.337 4.507 4.170 0.000 0.000 0.291 279 I C 1.740 177.618 176.117 -0.399 0.000 1.046 279 I CA -0.637 60.181 61.300 -0.803 0.000 1.324 279 I CB 1.168 38.632 38.000 -0.894 0.000 1.409 279 I HN 0.747 nan 8.210 nan 0.000 0.494 280 R N 4.303 124.608 120.500 -0.326 0.000 2.080 280 R HA 0.033 4.373 4.340 0.000 0.000 0.222 280 R C 0.126 176.327 176.300 -0.166 0.000 1.107 280 R CA 0.945 56.937 56.100 -0.180 0.000 0.980 280 R CB 0.382 30.609 30.300 -0.121 0.000 0.879 280 R HN 0.793 nan 8.270 nan 0.000 0.439 281 S N -0.747 114.833 115.700 -0.199 0.000 2.567 281 S HA 0.275 4.745 4.470 0.000 0.000 0.270 281 S C -1.567 172.944 174.600 -0.147 0.000 1.152 281 S CA -1.144 56.970 58.200 -0.143 0.000 0.835 281 S CB 1.771 64.914 63.200 -0.096 0.000 1.115 281 S HN 0.332 nan 8.310 nan 0.000 0.459 282 Q N 0.390 120.137 119.800 -0.088 0.000 2.462 282 Q HA 0.808 5.148 4.340 0.000 0.000 0.285 282 Q C -2.113 173.908 176.000 0.035 0.000 1.035 282 Q CA -0.920 54.861 55.803 -0.037 0.000 0.799 282 Q CB 2.215 30.911 28.738 -0.071 0.000 1.452 282 Q HN 0.659 nan 8.270 nan 0.000 0.404 283 D N 0.656 121.123 120.400 0.112 0.000 2.753 283 D HA 0.336 4.976 4.640 0.000 0.000 0.224 283 D C -1.131 175.264 176.300 0.158 0.000 1.213 283 D CA -0.640 53.467 54.000 0.179 0.000 0.833 283 D CB 2.334 43.329 40.800 0.325 0.000 1.607 283 D HN 0.421 nan 8.370 nan 0.000 0.463 284 R N 1.415 121.962 120.500 0.079 0.000 2.338 284 R HA 0.341 4.681 4.340 0.000 0.000 0.317 284 R C 0.269 176.537 176.300 -0.053 0.000 0.968 284 R CA -0.869 55.179 56.100 -0.087 0.000 0.849 284 R CB 1.781 32.017 30.300 -0.107 0.000 1.128 284 R HN 0.409 nan 8.270 nan 0.000 0.448 288 R N 4.589 124.873 120.500 -0.361 0.000 2.437 288 R HA 0.520 4.861 4.340 0.000 0.000 0.310 288 R C -1.003 175.055 176.300 -0.403 0.000 0.955 288 R CA -0.767 54.971 56.100 -0.603 0.000 0.851 288 R CB 1.334 30.896 30.300 -1.229 0.000 1.161 288 R HN 0.571 nan 8.270 nan 0.000 0.446 289 I N 6.215 126.567 120.570 -0.362 0.000 2.389 289 I HA -0.020 4.150 4.170 0.000 0.000 0.295 289 I C 1.530 177.482 176.117 -0.276 0.000 1.117 289 I CA 0.138 61.225 61.300 -0.355 0.000 1.317 289 I CB 0.844 38.635 38.000 -0.349 0.000 1.431 289 I HN 0.353 nan 8.210 nan 0.000 0.521 290 V N 5.645 125.414 119.914 -0.242 0.000 2.446 290 V HA -0.031 4.089 4.120 0.000 0.000 0.244 290 V C 1.089 177.098 176.094 -0.142 0.000 1.039 290 V CA 1.143 63.338 62.300 -0.176 0.000 1.045 290 V CB -0.338 31.403 31.823 -0.138 0.000 0.681 290 V HN 0.763 nan 8.190 nan 0.000 0.459 291 N N -0.072 118.536 118.700 -0.153 0.000 2.540 291 N HA 0.195 4.935 4.740 0.000 0.000 0.275 291 N C 0.405 175.802 175.510 -0.188 0.000 1.053 291 N CA -0.034 52.936 53.050 -0.134 0.000 0.876 291 N CB 2.283 40.719 38.487 -0.085 0.000 1.284 291 N HN -0.075 nan 8.380 nan 0.000 0.518 292 V N 2.235 121.990 119.914 -0.266 0.000 2.287 292 V HA -0.259 3.861 4.120 0.000 0.000 0.248 292 V C 2.484 178.394 176.094 -0.306 0.000 1.053 292 V CA 1.790 63.861 62.300 -0.383 0.000 1.027 292 V CB -0.451 30.919 31.823 -0.756 0.000 0.646 292 V HN 0.827 nan 8.190 nan 0.000 0.447 293 C N 0.305 119.439 119.300 -0.276 0.000 2.436 293 C HA -0.128 4.332 4.460 0.000 0.000 0.277 293 C C 2.930 177.903 174.990 -0.028 0.000 1.241 293 C CA 1.104 60.054 59.018 -0.113 0.000 1.721 293 C CB -0.984 26.750 27.740 -0.010 0.000 2.043 293 C HN 0.478 nan 8.230 nan 0.000 0.472 294 K N 1.142 121.524 120.400 -0.030 0.000 2.097 294 K HA -0.024 4.296 4.320 0.000 0.000 0.206 294 K C 2.250 178.866 176.600 0.027 0.000 1.049 294 K CA 1.568 57.857 56.287 0.003 0.000 0.933 294 K CB -1.019 31.475 32.500 -0.010 0.000 0.717 294 K HN 0.619 nan 8.250 nan 0.000 0.442 295 A N 1.578 124.389 122.820 -0.015 0.000 1.877 295 A HA -0.120 4.200 4.320 0.000 0.000 0.216 295 A C 2.361 180.111 177.584 0.276 0.000 1.186 295 A CA 1.269 53.315 52.037 0.015 0.000 0.620 295 A CB -0.682 18.172 19.000 -0.244 0.000 0.822 295 A HN 0.180 nan 8.150 nan 0.000 0.443 296 L N -0.787 120.586 121.223 0.251 0.000 2.093 296 L HA -0.170 4.170 4.340 0.000 0.000 0.208 296 L C 2.496 179.559 176.870 0.320 0.000 1.085 296 L CA 1.476 56.535 54.840 0.366 0.000 0.755 296 L CB -0.498 41.711 42.059 0.250 0.000 0.904 296 L HN 0.468 nan 8.230 nan 0.000 0.435 297 E N -0.083 120.232 120.200 0.190 0.000 2.274 297 E HA -0.102 4.248 4.350 0.000 0.000 0.194 297 E C 2.128 178.829 176.600 0.167 0.000 0.996 297 E CA 0.817 57.314 56.400 0.162 0.000 0.840 297 E CB 0.010 29.765 29.700 0.092 0.000 0.772 297 E HN 0.477 nan 8.360 nan 0.000 0.491 298 A N 1.263 124.179 122.820 0.161 0.000 2.072 298 A HA -0.006 4.314 4.320 0.000 0.000 0.216 298 A C 1.387 179.054 177.584 0.139 0.000 1.156 298 A CA -0.038 52.078 52.037 0.131 0.000 0.701 298 A CB -0.034 19.031 19.000 0.108 0.000 0.816 298 A HN -0.010 nan 8.150 nan 0.000 0.458 299 R N 0.070 120.654 120.500 0.140 0.000 2.582 299 R HA 0.367 4.707 4.340 0.000 0.000 0.271 299 R C 0.457 176.658 176.300 -0.164 0.000 1.078 299 R CA 0.338 56.418 56.100 -0.034 0.000 1.127 299 R CB 0.472 30.567 30.300 -0.341 0.000 1.038 299 R HN 0.274 nan 8.270 nan 0.000 0.500 300 G N 1.711 110.410 108.800 -0.167 0.000 2.476 300 G HA2 0.315 4.276 3.960 0.000 0.000 0.269 300 G HA3 0.315 4.276 3.960 0.000 0.000 0.269 300 G C -1.410 173.180 174.900 -0.517 0.000 1.195 300 G CA -0.301 44.707 45.100 -0.154 0.000 0.843 300 G HN 0.491 nan 8.290 nan 0.000 0.545 301 Y N 0.085 120.376 120.300 -0.015 0.000 2.570 301 Y HA 0.448 4.998 4.550 0.001 0.000 0.345 301 Y C -1.944 173.923 175.900 -0.056 0.000 1.014 301 Y CA -2.012 56.046 58.100 -0.071 0.000 1.063 301 Y CB 2.078 40.471 38.460 -0.112 0.000 1.272 301 Y HN 0.351 nan 8.280 nan 0.000 0.477 302 P HA 0.148 nan 4.420 nan 0.000 0.271 302 P C -0.717 176.604 177.300 0.035 0.000 1.216 302 P CA -0.139 62.975 63.100 0.023 0.000 0.776 302 P CB 0.556 32.258 31.700 0.004 0.000 0.881 303 L N 1.652 122.887 121.223 0.020 0.000 2.439 303 L HA 0.331 4.672 4.340 0.000 0.000 0.269 303 L C 1.717 178.592 176.870 0.007 0.000 1.179 303 L CA 0.799 55.649 54.840 0.016 0.000 0.828 303 L CB -0.302 41.764 42.059 0.011 0.000 1.106 303 L HN 0.813 nan 8.230 nan 0.000 0.467 304 G N 1.900 110.702 108.800 0.004 0.000 2.194 304 G HA2 -0.217 3.743 3.960 0.000 0.000 0.236 304 G HA3 -0.217 3.743 3.960 0.000 0.000 0.236 304 G C -0.106 174.791 174.900 -0.005 0.000 0.987 304 G CA -0.169 44.931 45.100 -0.000 0.000 0.635 304 G HN 0.377 nan 8.290 nan 0.000 0.520 305 V N 0.962 120.871 119.914 -0.008 0.000 2.407 305 V HA 0.639 4.759 4.120 0.000 0.000 0.278 305 V C 0.211 176.285 176.094 -0.034 0.000 1.037 305 V CA -0.164 62.123 62.300 -0.021 0.000 0.900 305 V CB 1.706 33.513 31.823 -0.027 0.000 0.983 305 V HN 0.380 nan 8.190 nan 0.000 0.459 306 E N 3.617 123.797 120.200 -0.034 0.000 2.279 306 E HA 0.714 5.064 4.350 0.000 0.000 0.252 306 E C -0.912 175.665 176.600 -0.038 0.000 0.894 306 E CA -0.340 56.038 56.400 -0.038 0.000 0.785 306 E CB 1.508 31.194 29.700 -0.023 0.000 1.237 306 E HN 0.893 nan 8.360 nan 0.000 0.418 307 A N 4.013 126.799 122.820 -0.056 0.000 2.604 307 A HA 0.484 4.805 4.320 0.000 0.000 0.295 307 A C -1.421 176.141 177.584 -0.037 0.000 1.067 307 A CA -0.751 51.263 52.037 -0.039 0.000 0.683 307 A CB 1.852 20.827 19.000 -0.042 0.000 1.281 307 A HN 0.596 nan 8.150 nan 0.000 0.407 308 E N 0.890 121.099 120.200 0.015 0.000 2.155 308 E HA 0.514 4.864 4.350 0.000 0.000 0.264 308 E C -1.804 174.885 176.600 0.148 0.000 0.886 308 E CA -0.608 55.836 56.400 0.073 0.000 0.752 308 E CB 1.278 31.054 29.700 0.127 0.000 1.133 308 E HN 0.552 nan 8.360 nan 0.000 0.414 309 L N 5.460 126.767 121.223 0.140 0.000 2.287 309 L HA 0.299 4.639 4.340 0.000 0.000 0.287 309 L C -1.153 175.875 176.870 0.264 0.000 1.022 309 L CA -0.406 54.548 54.840 0.189 0.000 0.814 309 L CB 1.091 43.236 42.059 0.144 0.000 1.217 309 L HN 0.612 nan 8.230 nan 0.000 0.420 310 H N 6.691 125.800 119.070 0.065 0.000 2.741 310 H HA 0.343 4.899 4.556 0.000 0.000 0.282 310 H C -0.713 174.669 175.328 0.089 0.000 1.122 310 H CA -0.637 55.452 56.048 0.069 0.000 1.293 310 H CB 0.738 30.525 29.762 0.041 0.000 1.415 310 H HN 0.481 nan 8.280 nan 0.000 0.472 311 L N 2.520 123.859 121.223 0.194 0.000 2.360 311 L HA 0.327 4.668 4.340 0.000 0.000 0.271 311 L C 0.338 177.314 176.870 0.177 0.000 1.057 311 L CA -0.375 54.579 54.840 0.189 0.000 0.803 311 L CB 1.522 43.715 42.059 0.224 0.000 1.207 311 L HN 0.557 nan 8.230 nan 0.000 0.445 312 E N 1.416 121.704 120.200 0.148 0.000 2.255 312 E HA 0.472 4.822 4.350 0.000 0.000 0.256 312 E C -1.733 174.943 176.600 0.127 0.000 0.887 312 E CA -0.466 56.006 56.400 0.119 0.000 0.782 312 E CB 1.817 31.559 29.700 0.070 0.000 1.214 312 E HN 0.293 nan 8.360 nan 0.000 0.417 313 V N 3.861 123.885 119.914 0.183 0.000 2.581 313 V HA 0.369 4.489 4.120 0.000 0.000 0.303 313 V C -0.348 175.811 176.094 0.108 0.000 1.041 313 V CA -0.973 61.414 62.300 0.146 0.000 0.907 313 V CB 1.740 33.671 31.823 0.181 0.000 0.994 313 V HN 0.628 nan 8.190 nan 0.000 0.442 314 Q N 2.941 122.775 119.800 0.058 0.000 2.307 314 Q HA 0.518 4.858 4.340 0.000 0.000 0.262 314 Q C -1.161 174.852 176.000 0.022 0.000 0.961 314 Q CA -0.371 55.455 55.803 0.038 0.000 0.882 314 Q CB 2.267 31.018 28.738 0.022 0.000 1.264 314 Q HN 0.768 nan 8.270 nan 0.000 0.446 315 D N 2.107 122.520 120.400 0.022 0.000 2.479 315 D HA 0.054 4.694 4.640 0.000 0.000 0.246 315 D C -0.119 176.182 176.300 0.001 0.000 1.336 315 D CA -0.313 53.688 54.000 0.001 0.000 0.967 315 D CB 1.080 41.878 40.800 -0.004 0.000 1.275 315 D HN 0.473 nan 8.370 nan 0.000 0.577 316 D N 2.893 123.290 120.400 -0.005 0.000 2.355 316 D HA -0.090 4.551 4.640 0.000 0.000 0.218 316 D C 1.368 177.661 176.300 -0.012 0.000 1.004 316 D CA -0.049 53.948 54.000 -0.005 0.000 0.880 316 D CB 0.581 41.379 40.800 -0.004 0.000 0.911 316 D HN 0.341 nan 8.370 nan 0.000 0.528 317 L N -0.489 120.722 121.223 -0.020 0.000 2.435 317 L HA 0.333 4.673 4.340 0.000 0.000 0.195 317 L C 0.365 177.218 176.870 -0.029 0.000 1.072 317 L CA 0.617 55.440 54.840 -0.030 0.000 0.833 317 L CB 0.133 42.169 42.059 -0.038 0.000 1.081 317 L HN -0.091 nan 8.230 nan 0.000 0.485 318 L N 0.596 121.802 121.223 -0.028 0.000 2.321 318 L HA 0.410 4.750 4.340 0.000 0.000 0.272 318 L C 1.428 178.298 176.870 0.000 0.000 1.050 318 L CA -0.099 54.728 54.840 -0.022 0.000 0.893 318 L CB 0.990 43.026 42.059 -0.038 0.000 1.272 318 L HN 0.190 nan 8.230 nan 0.000 0.435 319 A N 1.560 124.385 122.820 0.007 0.000 1.997 319 A HA -0.243 4.077 4.320 0.000 0.000 0.221 319 A C 2.288 179.900 177.584 0.046 0.000 1.172 319 A CA 2.542 54.591 52.037 0.021 0.000 0.645 319 A CB -0.646 18.362 19.000 0.013 0.000 0.813 319 A HN 0.763 nan 8.150 nan 0.000 0.454 320 T N -2.572 112.012 114.554 0.049 0.000 2.977 320 T HA -0.085 4.265 4.350 0.000 0.000 0.271 320 T C 1.243 176.049 174.700 0.178 0.000 1.105 320 T CA 1.422 63.575 62.100 0.088 0.000 1.116 320 T CB -0.421 68.484 68.868 0.063 0.000 0.878 320 T HN 0.436 nan 8.240 nan 0.000 0.509 321 N N 0.817 119.597 118.700 0.133 0.000 2.299 321 N HA 0.112 4.853 4.740 0.000 0.000 0.187 321 N C 0.436 176.116 175.510 0.283 0.000 1.099 321 N CA 0.159 53.301 53.050 0.154 0.000 0.867 321 N CB 0.102 38.582 38.487 -0.011 0.000 0.974 321 N HN 0.548 nan 8.380 nan 0.000 0.477 322 Q N 0.881 120.797 119.800 0.194 0.000 2.314 322 Q HA 0.506 4.846 4.340 0.000 0.000 0.257 322 Q C 0.210 176.275 176.000 0.108 0.000 0.975 322 Q CA -0.071 55.814 55.803 0.137 0.000 0.933 322 Q CB 0.288 29.063 28.738 0.061 0.000 1.195 322 Q HN 0.311 nan 8.270 nan 0.000 0.426 323 G N 2.913 111.772 108.800 0.098 0.000 2.339 323 G HA2 0.070 4.030 3.960 0.000 0.000 0.275 323 G HA3 0.070 4.030 3.960 0.000 0.000 0.275 323 G C -1.541 173.224 174.900 -0.225 0.000 1.323 323 G CA -1.050 43.973 45.100 -0.129 0.000 0.927 323 G HN 0.478 nan 8.290 nan 0.000 0.486 324 K N -0.327 119.815 120.400 -0.431 0.000 2.159 324 K HA 0.709 5.029 4.320 0.000 0.000 0.266 324 K C -1.457 174.763 176.600 -0.633 0.000 0.975 324 K CA -0.312 55.786 56.287 -0.315 0.000 0.865 324 K CB 1.485 33.887 32.500 -0.164 0.000 1.087 324 K HN 0.286 nan 8.250 nan 0.000 0.446 325 F N 2.148 122.081 119.950 -0.029 0.000 2.569 325 F HA 0.453 4.980 4.527 0.001 0.000 0.312 325 F C -0.154 175.586 175.800 -0.100 0.000 1.109 325 F CA -0.943 57.029 58.000 -0.048 0.000 0.919 325 F CB 1.294 40.288 39.000 -0.011 0.000 1.211 325 F HN 0.191 nan 8.300 nan 0.000 0.446 326 I N 4.182 124.748 120.570 -0.006 0.000 2.312 326 I HA 0.282 4.453 4.170 0.000 0.000 0.290 326 I C -0.977 175.131 176.117 -0.015 0.000 1.008 326 I CA -0.813 60.394 61.300 -0.154 0.000 1.226 326 I CB 1.452 39.240 38.000 -0.354 0.000 1.371 326 I HN 0.326 nan 8.210 nan 0.000 0.468 327 L N 6.886 128.117 121.223 0.015 0.000 2.255 327 L HA 0.402 4.742 4.340 0.000 0.000 0.289 327 L C -0.266 176.566 176.870 -0.064 0.000 1.046 327 L CA 0.473 55.306 54.840 -0.012 0.000 0.816 327 L CB 0.942 43.011 42.059 0.017 0.000 1.197 327 L HN 0.466 nan 8.230 nan 0.000 0.427 328 S N 4.333 119.978 115.700 -0.091 0.000 2.474 328 S HA 0.669 5.139 4.470 0.000 0.000 0.321 328 S C -0.552 173.945 174.600 -0.173 0.000 1.080 328 S CA -0.584 57.559 58.200 -0.095 0.000 1.106 328 S CB 1.429 64.598 63.200 -0.051 0.000 0.984 328 S HN 0.399 nan 8.310 nan 0.000 0.464 329 V N 2.538 122.325 119.914 -0.212 0.000 2.459 329 V HA 0.943 5.063 4.120 0.000 0.000 0.295 329 V C -0.008 175.997 176.094 -0.149 0.000 1.029 329 V CA -0.432 61.696 62.300 -0.287 0.000 0.874 329 V CB 1.288 32.828 31.823 -0.471 0.000 0.985 329 V HN 1.017 nan 8.190 nan 0.000 0.438 330 A N 3.356 126.112 122.820 -0.106 0.000 2.594 330 A HA 0.669 4.990 4.320 0.000 0.000 0.296 330 A C -0.022 177.549 177.584 -0.021 0.000 1.061 330 A CA -0.497 51.510 52.037 -0.051 0.000 0.689 330 A CB 0.780 19.757 19.000 -0.037 0.000 1.280 330 A HN 1.021 nan 8.150 nan 0.000 0.406 331 N N 0.476 119.173 118.700 -0.005 0.000 2.721 331 N HA -0.157 4.583 4.740 0.000 0.000 0.249 331 N C 0.979 176.508 175.510 0.032 0.000 1.072 331 N CA 2.083 55.140 53.050 0.012 0.000 0.710 331 N CB -0.906 37.588 38.487 0.011 0.000 0.993 331 N HN 2.449 nan 8.380 nan 0.000 0.547 332 G N -1.453 107.376 108.800 0.048 0.000 2.184 332 G HA2 -0.379 3.581 3.960 0.000 0.000 0.264 332 G HA3 -0.379 3.581 3.960 0.000 0.000 0.264 332 G C -0.055 174.947 174.900 0.171 0.000 0.975 332 G CA 1.023 46.185 45.100 0.103 0.000 0.642 332 G HN 0.551 nan 8.290 nan 0.000 0.536 333 K N -0.110 120.357 120.400 0.112 0.000 2.395 333 K HA 0.721 5.041 4.320 0.000 0.000 0.247 333 K C -0.082 176.505 176.600 -0.021 0.000 0.973 333 K CA -0.195 56.166 56.287 0.124 0.000 0.828 333 K CB 2.155 34.698 32.500 0.073 0.000 1.272 333 K HN 0.431 nan 8.250 nan 0.000 0.439 334 S N -0.170 115.515 115.700 -0.025 0.000 2.638 334 S HA 0.490 4.960 4.470 0.000 0.000 0.302 334 S C -1.005 173.570 174.600 -0.042 0.000 1.096 334 S CA -0.795 57.307 58.200 -0.164 0.000 0.953 334 S CB 2.041 65.049 63.200 -0.321 0.000 1.107 334 S HN 0.672 nan 8.310 nan 0.000 0.503 335 E N 0.728 120.893 120.200 -0.057 0.000 2.275 335 E HA 0.583 4.933 4.350 0.000 0.000 0.270 335 E C -1.926 174.667 176.600 -0.012 0.000 0.882 335 E CA -0.840 55.551 56.400 -0.014 0.000 0.758 335 E CB 2.040 31.733 29.700 -0.012 0.000 1.195 335 E HN 0.551 nan 8.360 nan 0.000 0.419 336 V N 3.492 123.420 119.914 0.022 0.000 2.495 336 V HA 0.511 4.631 4.120 0.000 0.000 0.298 336 V C -0.076 176.062 176.094 0.073 0.000 1.031 336 V CA -0.390 61.941 62.300 0.052 0.000 0.871 336 V CB 1.714 33.578 31.823 0.070 0.000 0.988 336 V HN 0.868 nan 8.190 nan 0.000 0.432 337 T N 1.769 116.364 114.554 0.069 0.000 2.916 337 T HA 0.636 4.986 4.350 0.000 0.000 0.292 337 T C -0.642 174.083 174.700 0.043 0.000 1.064 337 T CA -1.083 61.044 62.100 0.045 0.000 1.011 337 T CB 1.932 70.796 68.868 -0.007 0.000 1.152 337 T HN 0.437 nan 8.240 nan 0.000 0.510 338 K N 0.587 120.977 120.400 -0.018 0.000 2.185 338 K HA 0.624 4.944 4.320 0.000 0.000 0.271 338 K C 0.791 177.292 176.600 -0.165 0.000 1.013 338 K CA 0.289 56.486 56.287 -0.150 0.000 0.943 338 K CB 0.860 33.263 32.500 -0.162 0.000 0.998 338 K HN 1.145 nan 8.250 nan 0.000 0.468 339 G N 0.470 109.128 108.800 -0.236 0.000 2.378 339 G HA2 0.259 4.220 3.960 0.000 0.000 0.198 339 G HA3 0.259 4.220 3.960 0.000 0.000 0.198 339 G C -0.006 174.804 174.900 -0.150 0.000 1.223 339 G CA -0.298 44.703 45.100 -0.164 0.000 1.088 339 G HN 1.157 nan 8.290 nan 0.000 0.530 340 G N -0.997 107.755 108.800 -0.081 0.000 2.610 340 G HA2 0.344 4.304 3.960 0.000 0.000 0.304 340 G HA3 0.344 4.304 3.960 0.000 0.000 0.304 340 G C 0.600 175.599 174.900 0.164 0.000 1.309 340 G CA 0.817 45.933 45.100 0.027 0.000 0.906 340 G HN 2.078 nan 8.290 nan 0.000 0.521 341 K N -0.044 120.583 120.400 0.378 0.000 2.374 341 K HA 0.436 4.757 4.320 0.000 0.000 0.196 341 K C 1.350 178.021 176.600 0.118 0.000 1.023 341 K CA 0.921 57.308 56.287 0.166 0.000 1.103 341 K CB 0.367 32.917 32.500 0.084 0.000 0.848 341 K HN 2.483 nan 8.250 nan 0.000 0.528 342 G N 3.729 112.619 108.800 0.150 0.000 2.386 342 G HA2 -0.309 3.651 3.960 0.000 0.000 0.295 342 G HA3 -0.309 3.651 3.960 0.000 0.000 0.295 342 G C 0.460 175.413 174.900 0.089 0.000 0.979 342 G CA 0.837 46.002 45.100 0.108 0.000 1.193 342 G HN 0.786 nan 8.290 nan 0.000 0.508 343 E N -1.013 119.249 120.200 0.103 0.000 2.358 343 E HA 0.093 4.443 4.350 0.000 0.000 0.195 343 E C 1.186 177.826 176.600 0.066 0.000 1.010 343 E CA 0.275 56.712 56.400 0.061 0.000 0.856 343 E CB 0.542 30.261 29.700 0.032 0.000 0.795 343 E HN 0.636 nan 8.360 nan 0.000 0.504 344 L N 1.833 123.110 121.223 0.090 0.000 2.406 344 L HA 0.321 4.661 4.340 0.000 0.000 0.270 344 L C -1.570 175.347 176.870 0.077 0.000 0.982 344 L CA -0.589 54.300 54.840 0.081 0.000 0.843 344 L CB 1.638 43.757 42.059 0.100 0.000 1.225 344 L HN -0.049 nan 8.230 nan 0.000 0.412 345 Q N 5.493 125.326 119.800 0.055 0.000 2.282 345 Q HA 0.772 5.112 4.340 0.000 0.000 0.260 345 Q C -1.364 174.656 176.000 0.034 0.000 0.964 345 Q CA -0.670 55.162 55.803 0.048 0.000 0.880 345 Q CB 2.382 31.142 28.738 0.037 0.000 1.286 345 Q HN 0.501 nan 8.270 nan 0.000 0.445 346 L N -1.832 119.411 121.223 0.033 0.000 2.775 346 L HA 0.586 4.927 4.340 0.000 0.000 0.263 346 L C -1.174 175.703 176.870 0.012 0.000 1.017 346 L CA -1.074 53.775 54.840 0.014 0.000 0.891 346 L CB 0.784 42.843 42.059 -0.000 0.000 1.482 346 L HN 0.457 nan 8.230 nan 0.000 0.410 347 D N -0.241 120.159 120.400 -0.001 0.000 2.354 347 D HA 0.355 4.995 4.640 0.000 0.000 0.247 347 D C 1.064 177.349 176.300 -0.025 0.000 1.138 347 D CA -0.203 53.794 54.000 -0.006 0.000 0.958 347 D CB 1.078 41.873 40.800 -0.007 0.000 1.144 347 D HN 0.685 nan 8.370 nan 0.000 0.458 348 I N 1.693 122.242 120.570 -0.035 0.000 2.399 348 I HA -0.228 3.942 4.170 0.000 0.000 0.254 348 I C 1.739 177.804 176.117 -0.086 0.000 1.146 348 I CA 1.635 62.891 61.300 -0.073 0.000 1.412 348 I CB -0.085 37.864 38.000 -0.083 0.000 1.076 348 I HN 0.417 nan 8.210 nan 0.000 0.432 349 K N -0.299 120.069 120.400 -0.053 0.000 2.062 349 K HA -0.034 4.286 4.320 0.000 0.000 0.205 349 K C 2.149 178.725 176.600 -0.040 0.000 1.051 349 K CA 1.213 57.477 56.287 -0.039 0.000 0.941 349 K CB -0.664 31.833 32.500 -0.005 0.000 0.719 349 K HN 0.488 nan 8.250 nan 0.000 0.440 350 G N 1.770 110.548 108.800 -0.037 0.000 2.422 350 G HA2 -0.240 3.721 3.960 0.000 0.000 0.218 350 G HA3 -0.240 3.721 3.960 0.000 0.000 0.218 350 G C 1.444 176.300 174.900 -0.074 0.000 1.146 350 G CA 0.439 45.517 45.100 -0.038 0.000 0.769 350 G HN 0.133 nan 8.290 nan 0.000 0.547 351 L N 1.291 122.456 121.223 -0.096 0.000 2.141 351 L HA 0.230 4.570 4.340 0.000 0.000 0.209 351 L C 3.015 179.782 176.870 -0.172 0.000 1.094 351 L CA 1.814 56.566 54.840 -0.146 0.000 0.763 351 L CB -0.678 41.300 42.059 -0.134 0.000 0.908 351 L HN 0.227 nan 8.230 nan 0.000 0.437 352 A N -1.339 121.386 122.820 -0.159 0.000 1.883 352 A HA -0.207 4.113 4.320 0.000 0.000 0.217 352 A C 2.377 179.888 177.584 -0.122 0.000 1.186 352 A CA 2.172 54.105 52.037 -0.174 0.000 0.624 352 A CB -0.937 17.982 19.000 -0.135 0.000 0.822 352 A HN 0.527 nan 8.150 nan 0.000 0.444 353 S N -0.706 114.952 115.700 -0.070 0.000 2.387 353 S HA -0.063 4.408 4.470 0.000 0.000 0.226 353 S C 1.818 176.384 174.600 -0.056 0.000 1.026 353 S CA 1.150 59.339 58.200 -0.017 0.000 0.972 353 S CB -0.351 62.915 63.200 0.110 0.000 0.814 353 S HN 0.466 nan 8.310 nan 0.000 0.477 354 L N 0.829 121.968 121.223 -0.139 0.000 2.027 354 L HA -0.038 4.302 4.340 0.000 0.000 0.206 354 L C 2.042 178.630 176.870 -0.469 0.000 1.074 354 L CA 1.731 56.389 54.840 -0.305 0.000 0.745 354 L CB -0.892 40.894 42.059 -0.456 0.000 0.898 354 L HN 0.326 nan 8.230 nan 0.000 0.433 355 Y N 0.400 120.358 120.300 -0.570 0.000 2.165 355 Y HA -0.292 4.258 4.550 -0.000 0.000 0.286 355 Y C 2.553 178.284 175.900 -0.282 0.000 1.155 355 Y CA 2.470 60.313 58.100 -0.427 0.000 1.164 355 Y CB -0.504 37.718 38.460 -0.397 0.000 0.978 355 Y HN 0.454 nan 8.280 nan 0.000 0.513 356 T N -3.646 110.807 114.554 -0.168 0.000 3.113 356 T HA 0.064 4.415 4.350 0.000 0.000 0.256 356 T C 0.980 175.770 174.700 0.151 0.000 1.131 356 T CA 0.623 62.569 62.100 -0.257 0.000 1.074 356 T CB -0.504 68.233 68.868 -0.218 0.000 0.944 356 T HN 0.354 nan 8.240 nan 0.000 0.516 357 S N -0.375 115.409 115.700 0.140 0.000 3.490 357 S HA -0.158 4.313 4.470 0.000 0.000 0.301 357 S C 0.776 175.415 174.600 0.065 0.000 1.233 357 S CA 0.586 58.897 58.200 0.185 0.000 0.914 357 S CB -2.419 60.979 63.200 0.331 0.000 1.047 357 S HN 0.536 nan 8.310 nan 0.000 0.602 358 L N -0.065 121.110 121.223 -0.080 0.000 2.017 358 L HA 0.295 4.635 4.340 0.000 0.000 0.208 358 L C 0.398 176.921 176.870 -0.578 0.000 1.073 358 L CA 2.048 56.666 54.840 -0.369 0.000 0.745 358 L CB -0.076 41.664 42.059 -0.532 0.000 0.894 358 L HN 0.369 nan 8.230 nan 0.000 0.432 359 F N -0.877 119.084 119.950 0.019 0.000 2.546 359 F HA 0.453 4.979 4.527 -0.001 0.000 0.320 359 F C 0.635 176.451 175.800 0.028 0.000 1.076 359 F CA -0.936 57.075 58.000 0.018 0.000 0.928 359 F CB 0.979 39.977 39.000 -0.003 0.000 1.189 359 F HN -0.142 nan 8.300 nan 0.000 0.465 360 T N -0.651 114.050 114.554 0.244 0.000 2.868 360 T HA 0.260 4.611 4.350 0.000 0.000 0.292 360 T C -2.104 172.676 174.700 0.133 0.000 1.028 360 T CA -1.650 60.547 62.100 0.162 0.000 1.059 360 T CB 1.332 70.281 68.868 0.135 0.000 0.991 360 T HN 0.262 nan 8.240 nan 0.000 0.531 361 P HA -0.144 nan 4.420 nan 0.000 0.216 361 P C 1.740 179.078 177.300 0.064 0.000 1.154 361 P CA 1.097 64.248 63.100 0.085 0.000 0.865 361 P CB 0.012 31.775 31.700 0.106 0.000 0.789 362 R N -0.044 120.495 120.500 0.066 0.000 2.083 362 R HA -0.206 4.135 4.340 0.000 0.000 0.237 362 R C 2.287 178.605 176.300 0.030 0.000 1.137 362 R CA 1.823 57.951 56.100 0.046 0.000 0.951 362 R CB -0.524 29.805 30.300 0.050 0.000 0.851 362 R HN 0.245 nan 8.270 nan 0.000 0.434 363 Q N 0.039 119.867 119.800 0.046 0.000 2.124 363 Q HA -0.136 4.204 4.340 0.000 0.000 0.202 363 Q C 2.230 178.194 176.000 -0.060 0.000 0.977 363 Q CA 1.447 57.252 55.803 0.004 0.000 0.850 363 Q CB -0.015 28.770 28.738 0.079 0.000 0.901 363 Q HN 0.398 nan 8.270 nan 0.000 0.429 364 L N 0.233 121.450 121.223 -0.010 0.000 2.156 364 L HA -0.190 4.150 4.340 0.000 0.000 0.208 364 L C 2.613 179.463 176.870 -0.033 0.000 1.095 364 L CA 0.987 55.807 54.840 -0.034 0.000 0.770 364 L CB -0.371 41.695 42.059 0.011 0.000 0.914 364 L HN 0.318 nan 8.230 nan 0.000 0.439 365 Q N 0.442 120.235 119.800 -0.011 0.000 2.050 365 Q HA -0.258 4.082 4.340 0.000 0.000 0.202 365 Q C 2.293 178.279 176.000 -0.023 0.000 0.980 365 Q CA 1.700 57.498 55.803 -0.009 0.000 0.840 365 Q CB -0.111 28.631 28.738 0.006 0.000 0.898 365 Q HN 0.387 nan 8.270 nan 0.000 0.424 366 L N 0.744 121.949 121.223 -0.031 0.000 2.131 366 L HA -0.103 4.238 4.340 0.000 0.000 0.210 366 L C 1.976 178.810 176.870 -0.059 0.000 1.092 366 L CA 2.288 57.105 54.840 -0.039 0.000 0.759 366 L CB -0.442 41.593 42.059 -0.039 0.000 0.903 366 L HN 0.405 nan 8.230 nan 0.000 0.435 367 T N -4.068 110.434 114.554 -0.086 0.000 3.163 367 T HA 0.396 4.747 4.350 0.000 0.000 0.252 367 T C 1.286 175.941 174.700 -0.074 0.000 1.056 367 T CA 0.112 62.149 62.100 -0.104 0.000 0.947 367 T CB -0.251 68.506 68.868 -0.185 0.000 1.016 367 T HN 0.571 nan 8.240 nan 0.000 0.554 368 G N 2.209 110.979 108.800 -0.051 0.000 2.160 368 G HA2 -0.262 3.698 3.960 0.000 0.000 0.251 368 G HA3 -0.262 3.698 3.960 0.000 0.000 0.251 368 G C 0.816 175.699 174.900 -0.029 0.000 1.008 368 G CA 0.273 45.353 45.100 -0.033 0.000 0.724 368 G HN 0.488 nan 8.290 nan 0.000 0.514 369 K N -0.913 119.466 120.400 -0.035 0.000 2.393 369 K HA 0.371 4.691 4.320 0.000 0.000 0.193 369 K C 0.896 177.487 176.600 -0.015 0.000 1.026 369 K CA 1.053 57.325 56.287 -0.026 0.000 1.064 369 K CB 0.154 32.635 32.500 -0.032 0.000 0.833 369 K HN 1.012 nan 8.250 nan 0.000 0.521 370 L N -2.647 118.570 121.223 -0.010 0.000 2.582 370 L HA 0.468 4.809 4.340 0.000 0.000 0.257 370 L C -1.440 175.435 176.870 0.007 0.000 0.974 370 L CA -0.861 53.980 54.840 0.002 0.000 0.851 370 L CB 1.736 43.798 42.059 0.005 0.000 1.424 370 L HN -0.188 nan 8.230 nan 0.000 0.412 371 Q N 1.250 121.060 119.800 0.015 0.000 2.340 371 Q HA 0.927 5.267 4.340 0.000 0.000 0.268 371 Q C -1.063 174.953 176.000 0.027 0.000 1.031 371 Q CA -0.813 55.000 55.803 0.017 0.000 0.804 371 Q CB 2.619 31.366 28.738 0.015 0.000 1.286 371 Q HN 1.071 nan 8.270 nan 0.000 0.448 372 A N 1.060 123.896 122.820 0.027 0.000 2.609 372 A HA 0.722 5.042 4.320 0.000 0.000 0.291 372 A C -0.364 177.235 177.584 0.026 0.000 1.096 372 A CA -0.739 51.318 52.037 0.034 0.000 0.684 372 A CB 1.359 20.387 19.000 0.046 0.000 1.282 372 A HN 0.678 nan 8.150 nan 0.000 0.412 373 T N -1.227 113.342 114.554 0.024 0.000 2.828 373 T HA 0.334 4.685 4.350 0.000 0.000 0.290 373 T C 0.709 175.421 174.700 0.020 0.000 1.019 373 T CA 0.327 62.436 62.100 0.016 0.000 1.031 373 T CB 0.711 69.583 68.868 0.007 0.000 1.001 373 T HN 0.618 nan 8.240 nan 0.000 0.531 374 E N 0.589 120.798 120.200 0.016 0.000 2.153 374 E HA -0.118 4.232 4.350 0.000 0.000 0.194 374 E C 2.146 178.758 176.600 0.020 0.000 0.988 374 E CA 1.492 57.904 56.400 0.019 0.000 0.811 374 E CB -0.313 29.395 29.700 0.014 0.000 0.746 374 E HN 0.754 nan 8.360 nan 0.000 0.466 375 T N 0.919 115.481 114.554 0.013 0.000 2.737 375 T HA -0.110 4.240 4.350 0.000 0.000 0.265 375 T C 2.047 176.760 174.700 0.021 0.000 1.038 375 T CA 1.184 63.290 62.100 0.011 0.000 1.144 375 T CB -0.176 68.690 68.868 -0.004 0.000 0.866 375 T HN 0.229 nan 8.240 nan 0.000 0.434 376 A N 1.095 123.931 122.820 0.026 0.000 1.933 376 A HA 0.016 4.336 4.320 0.000 0.000 0.218 376 A C 2.247 179.872 177.584 0.068 0.000 1.175 376 A CA 1.131 53.197 52.037 0.049 0.000 0.628 376 A CB -0.843 18.189 19.000 0.054 0.000 0.814 376 A HN 0.392 nan 8.150 nan 0.000 0.444 377 L N -0.908 120.350 121.223 0.058 0.000 2.046 377 L HA -0.142 4.198 4.340 0.000 0.000 0.208 377 L C 2.309 179.223 176.870 0.072 0.000 1.077 377 L CA 1.733 56.614 54.840 0.067 0.000 0.747 377 L CB -0.382 41.707 42.059 0.051 0.000 0.896 377 L HN 0.423 nan 8.230 nan 0.000 0.432 378 L N -0.618 120.637 121.223 0.054 0.000 2.027 378 L HA -0.205 4.135 4.340 0.000 0.000 0.206 378 L C 2.420 179.322 176.870 0.053 0.000 1.074 378 L CA 1.796 56.666 54.840 0.049 0.000 0.745 378 L CB -0.681 41.397 42.059 0.032 0.000 0.898 378 L HN 0.189 nan 8.230 nan 0.000 0.433 379 K N -0.390 120.040 120.400 0.050 0.000 2.032 379 K HA -0.135 4.185 4.320 0.000 0.000 0.209 379 K C 2.072 178.713 176.600 0.068 0.000 1.048 379 K CA 1.473 57.786 56.287 0.043 0.000 0.927 379 K CB -0.493 32.030 32.500 0.038 0.000 0.712 379 K HN 0.477 nan 8.250 nan 0.000 0.441 380 A N 1.050 123.950 122.820 0.133 0.000 1.972 380 A HA -0.147 4.173 4.320 0.000 0.000 0.219 380 A C 2.206 179.953 177.584 0.271 0.000 1.169 380 A CA 1.957 54.152 52.037 0.264 0.000 0.635 380 A CB -0.864 18.316 19.000 0.300 0.000 0.810 380 A HN 0.269 nan 8.150 nan 0.000 0.446 381 T N 0.034 114.689 114.554 0.168 0.000 2.777 381 T HA -0.166 4.185 4.350 0.000 0.000 0.266 381 T C 2.059 176.825 174.700 0.109 0.000 1.040 381 T CA 1.733 63.920 62.100 0.145 0.000 1.141 381 T CB -0.238 68.689 68.868 0.100 0.000 0.868 381 T HN 0.648 nan 8.240 nan 0.000 0.444 382 Q N 0.227 120.065 119.800 0.064 0.000 2.046 382 Q HA 0.021 4.361 4.340 0.000 0.000 0.200 382 Q C 2.368 178.365 176.000 -0.005 0.000 0.975 382 Q CA 1.187 57.006 55.803 0.027 0.000 0.836 382 Q CB -0.336 28.406 28.738 0.008 0.000 0.896 382 Q HN 0.501 nan 8.270 nan 0.000 0.428 383 I N -0.461 120.070 120.570 -0.065 0.000 2.179 383 I HA -0.237 3.933 4.170 0.000 0.000 0.242 383 I C 1.225 177.188 176.117 -0.256 0.000 1.088 383 I CA 1.247 62.402 61.300 -0.241 0.000 1.357 383 I CB -0.025 37.651 38.000 -0.540 0.000 1.051 383 I HN 0.126 nan 8.210 nan 0.000 0.409 384 F N 0.917 120.936 119.950 0.115 0.000 2.693 384 F HA 0.369 4.896 4.527 0.000 0.000 0.303 384 F C 1.308 177.138 175.800 0.049 0.000 1.097 384 F CA -0.509 57.540 58.000 0.082 0.000 1.330 384 F CB -0.506 38.540 39.000 0.077 0.000 1.067 384 F HN -0.150 nan 8.300 nan 0.000 0.565 385 A N 0.643 123.550 122.820 0.146 0.000 2.498 385 A HA 0.562 4.882 4.320 0.000 0.000 0.239 385 A C 0.735 178.327 177.584 0.013 0.000 1.068 385 A CA 0.831 52.921 52.037 0.089 0.000 0.766 385 A CB -0.385 18.649 19.000 0.057 0.000 1.003 385 A HN 0.476 nan 8.150 nan 0.000 0.497 386 G N 0.702 109.503 108.800 0.001 0.000 2.328 386 G HA2 0.446 4.406 3.960 0.000 0.000 0.295 386 G HA3 0.446 4.406 3.960 0.000 0.000 0.295 386 G C -1.165 173.733 174.900 -0.003 0.000 1.413 386 G CA -0.914 44.118 45.100 -0.115 0.000 0.817 386 G HN 0.774 nan 8.290 nan 0.000 0.546 387 E N 0.383 120.579 120.200 -0.006 0.000 2.413 387 E HA 0.287 4.637 4.350 0.000 0.000 0.263 387 E C 0.488 177.244 176.600 0.261 0.000 1.015 387 E CA 0.116 56.590 56.400 0.124 0.000 0.916 387 E CB 0.989 30.772 29.700 0.138 0.000 0.947 387 E HN 0.356 nan 8.360 nan 0.000 0.440 388 S N 3.414 119.252 115.700 0.230 0.000 2.575 388 S HA 0.036 4.506 4.470 0.000 0.000 0.295 388 S C -2.064 172.761 174.600 0.375 0.000 1.267 388 S CA -1.306 57.031 58.200 0.228 0.000 1.074 388 S CB 0.228 63.509 63.200 0.135 0.000 0.829 388 S HN 0.246 nan 8.310 nan 0.000 0.497 389 P HA 0.255 nan 4.420 nan 0.000 0.276 389 P C -0.384 177.197 177.300 0.468 0.000 1.235 389 P CA -0.264 63.069 63.100 0.387 0.000 0.772 389 P CB 0.304 32.223 31.700 0.365 0.000 0.871 393 D N 1.303 121.655 120.400 -0.079 0.000 2.217 393 D HA 0.383 5.023 4.640 0.000 0.000 0.248 393 D C -1.232 175.115 176.300 0.078 0.000 1.008 393 D CA 0.057 54.040 54.000 -0.027 0.000 0.914 393 D CB 2.189 42.914 40.800 -0.125 0.000 1.182 393 D HN -0.003 nan 8.370 nan 0.000 0.451 394 F N 2.393 122.258 119.950 -0.142 0.000 2.546 394 F HA 0.629 5.158 4.527 0.004 0.000 0.320 394 F C -1.325 174.367 175.800 -0.179 0.000 1.076 394 F CA -0.750 56.979 58.000 -0.452 0.000 0.928 394 F CB 1.094 39.786 39.000 -0.514 0.000 1.189 394 F HN 0.326 nan 8.300 nan 0.000 0.465 395 F N 0.000 119.127 119.950 -1.372 0.000 2.286 395 F HA 0.000 4.528 4.527 0.002 0.000 0.279 395 F CA 0.000 57.531 58.000 -0.782 0.000 1.383 395 F CB 0.000 38.779 39.000 -0.369 0.000 1.145 395 F HN 0.000 nan 8.300 nan 0.000 0.574