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 1tqq_1_B DATA FIRST_RESID 1 DATA SEQUENCE ENLMQVYQQA RLSNPELRKS AADRDAAFEK INEARSPLLP QLGLGADYTY DATA SEQUENCE SNGYRDANGI NSNATSASLQ LTQSIFDMSK WRALTLQEKA AGIQDVTYQT DATA SEQUENCE DQQTLILNTA TAYFNVLNAI DVLSYTQAQK EAIYRQLDQT TQRFNVGLVA DATA SEQUENCE ITDVQNARAQ YDTVLANELT ARNNLDNAVE QLRQITGNYY PELAALNVEN DATA SEQUENCE FKTDKPQPVN ALLKEAEKRN LSLLQARLSQ DLAREQIRQA QDGHLPTLDL DATA SEQUENCE TASTGISDTS YSGSKTRGAA GTQYDDSNMG QNKVGLSFSL PIYQGGMVNS DATA SEQUENCE QVKQAQYNFV GASEQLESAH RSVVQTVRSS FNNINASISS INAYKQAVVS DATA SEQUENCE AQSSLDAMEA GYSVGTRTIV DVLDATTTLY NAKQELANAR YNYLINQLNI DATA SEQUENCE KSALGTLNEQ DLLALNNALS KPVSTNPE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 E HA 0.000 nan 4.350 nan 0.000 0.291 1 E C 0.000 176.581 176.600 -0.032 0.000 1.382 1 E CA 0.000 56.384 56.400 -0.026 0.000 0.976 1 E CB 0.000 29.718 29.700 0.030 0.000 0.812 2 N N 1.688 120.367 118.700 -0.035 0.000 2.364 2 N HA 0.097 4.837 4.740 -0.000 0.000 0.264 2 N C 1.097 176.464 175.510 -0.238 0.000 1.263 2 N CA 0.153 53.168 53.050 -0.059 0.000 0.959 2 N CB 0.322 38.785 38.487 -0.041 0.000 1.204 2 N HN 0.194 nan 8.380 nan 0.000 0.550 3 L N -0.953 119.988 121.223 -0.471 0.000 2.131 3 L HA 0.150 4.490 4.340 -0.000 0.000 0.206 3 L C 2.061 178.708 176.870 -0.372 0.000 1.087 3 L CA 1.352 55.700 54.840 -0.819 0.000 0.767 3 L CB -0.802 40.597 42.059 -1.100 0.000 0.917 3 L HN 0.660 nan 8.230 nan 0.000 0.441 4 M N -0.204 119.266 119.600 -0.217 0.000 2.082 4 M HA -0.268 4.212 4.480 -0.000 0.000 0.258 4 M C 2.325 178.610 176.300 -0.025 0.000 1.069 4 M CA 1.855 57.109 55.300 -0.076 0.000 1.102 4 M CB -0.737 31.831 32.600 -0.053 0.000 1.336 4 M HN 0.404 nan 8.290 nan 0.000 0.404 5 Q N -1.450 118.314 119.800 -0.060 0.000 2.135 5 Q HA -0.150 4.190 4.340 -0.000 0.000 0.204 5 Q C 1.984 177.968 176.000 -0.027 0.000 0.981 5 Q CA 1.791 57.577 55.803 -0.028 0.000 0.856 5 Q CB -0.108 28.615 28.738 -0.025 0.000 0.902 5 Q HN 0.397 nan 8.270 nan 0.000 0.425 6 V N -0.487 119.361 119.914 -0.110 0.000 2.488 6 V HA -0.222 3.898 4.120 -0.000 0.000 0.246 6 V C 1.702 177.793 176.094 -0.006 0.000 1.046 6 V CA 1.618 63.843 62.300 -0.125 0.000 1.053 6 V CB -0.430 31.197 31.823 -0.327 0.000 0.679 6 V HN 0.452 nan 8.190 nan 0.000 0.458 7 Y N 0.666 120.888 120.300 -0.130 0.000 2.263 7 Y HA -0.221 4.329 4.550 -0.000 0.000 0.292 7 Y C 2.564 178.440 175.900 -0.039 0.000 1.130 7 Y CA 1.900 59.951 58.100 -0.082 0.000 1.179 7 Y CB -0.079 38.314 38.460 -0.112 0.000 0.998 7 Y HN 0.226 nan 8.280 nan 0.000 0.532 8 Q N 0.589 120.341 119.800 -0.080 0.000 2.077 8 Q HA -0.269 4.071 4.340 -0.000 0.000 0.206 8 Q C 2.300 178.220 176.000 -0.132 0.000 0.989 8 Q CA 2.485 58.217 55.803 -0.118 0.000 0.853 8 Q CB -0.244 28.488 28.738 -0.010 0.000 0.907 8 Q HN 0.612 nan 8.270 nan 0.000 0.418 9 Q N -1.464 118.302 119.800 -0.056 0.000 2.224 9 Q HA -0.061 4.279 4.340 -0.000 0.000 0.203 9 Q C 1.770 177.739 176.000 -0.051 0.000 0.970 9 Q CA 1.118 56.911 55.803 -0.016 0.000 0.865 9 Q CB -0.028 28.757 28.738 0.077 0.000 0.922 9 Q HN 0.443 nan 8.270 nan 0.000 0.445 10 A N 0.526 123.282 122.820 -0.106 0.000 1.935 10 A HA -0.075 4.245 4.320 -0.000 0.000 0.214 10 A C 1.953 179.414 177.584 -0.204 0.000 1.178 10 A CA 0.530 52.498 52.037 -0.115 0.000 0.640 10 A CB -0.229 18.727 19.000 -0.073 0.000 0.825 10 A HN 0.121 nan 8.150 nan 0.000 0.447 11 R N 0.127 120.389 120.500 -0.397 0.000 2.091 11 R HA -0.172 4.168 4.340 -0.000 0.000 0.238 11 R C 2.103 178.307 176.300 -0.160 0.000 1.136 11 R CA 1.956 57.843 56.100 -0.354 0.000 0.959 11 R CB -0.529 29.458 30.300 -0.521 0.000 0.856 11 R HN 0.630 nan 8.270 nan 0.000 0.437 12 L N -1.234 119.915 121.223 -0.124 0.000 2.156 12 L HA 0.027 4.367 4.340 -0.000 0.000 0.208 12 L C 1.860 178.706 176.870 -0.039 0.000 1.095 12 L CA 1.961 56.763 54.840 -0.063 0.000 0.770 12 L CB -0.303 41.728 42.059 -0.047 0.000 0.914 12 L HN 0.036 nan 8.230 nan 0.000 0.439 13 S N -2.137 113.538 115.700 -0.042 0.000 2.603 13 S HA 0.130 4.600 4.470 -0.000 0.000 0.232 13 S C 0.695 175.287 174.600 -0.013 0.000 1.016 13 S CA -0.592 57.596 58.200 -0.021 0.000 0.976 13 S CB -0.823 62.367 63.200 -0.017 0.000 0.921 13 S HN 0.496 nan 8.310 nan 0.000 0.516 14 N N 3.061 121.749 118.700 -0.020 0.000 2.440 14 N HA 0.114 4.854 4.740 -0.000 0.000 0.265 14 N C -1.953 173.563 175.510 0.011 0.000 1.239 14 N CA -0.942 52.105 53.050 -0.005 0.000 0.909 14 N CB 1.278 39.758 38.487 -0.012 0.000 1.066 14 N HN 0.095 nan 8.380 nan 0.000 0.474 15 P HA -0.031 nan 4.420 nan 0.000 0.217 15 P C 0.531 177.849 177.300 0.030 0.000 1.151 15 P CA 1.060 64.173 63.100 0.020 0.000 0.828 15 P CB 0.371 32.081 31.700 0.016 0.000 0.788 16 E N -0.766 119.452 120.200 0.030 0.000 2.150 16 E HA -0.092 4.258 4.350 -0.000 0.000 0.193 16 E C 1.893 178.525 176.600 0.053 0.000 0.985 16 E CA 0.628 57.051 56.400 0.037 0.000 0.814 16 E CB -0.881 28.837 29.700 0.030 0.000 0.752 16 E HN 0.148 nan 8.360 nan 0.000 0.466 17 L N -0.048 121.206 121.223 0.051 0.000 2.131 17 L HA -0.030 4.310 4.340 -0.000 0.000 0.206 17 L C 1.945 178.908 176.870 0.155 0.000 1.087 17 L CA 1.203 56.090 54.840 0.078 0.000 0.767 17 L CB -0.040 42.038 42.059 0.030 0.000 0.917 17 L HN 0.071 nan 8.230 nan 0.000 0.441 18 R N -0.032 120.527 120.500 0.100 0.000 2.148 18 R HA -0.190 4.150 4.340 -0.000 0.000 0.223 18 R C 2.167 178.509 176.300 0.070 0.000 1.088 18 R CA 1.267 57.419 56.100 0.088 0.000 0.985 18 R CB -0.017 30.310 30.300 0.046 0.000 0.880 18 R HN 0.261 nan 8.270 nan 0.000 0.451 19 K N 0.021 120.461 120.400 0.067 0.000 2.057 19 K HA -0.055 4.265 4.320 -0.000 0.000 0.206 19 K C 2.097 178.742 176.600 0.076 0.000 1.050 19 K CA 1.813 58.133 56.287 0.055 0.000 0.935 19 K CB -0.285 32.242 32.500 0.044 0.000 0.715 19 K HN -0.055 nan 8.250 nan 0.000 0.439 20 S N -0.218 115.558 115.700 0.127 0.000 2.370 20 S HA -0.150 4.320 4.470 -0.000 0.000 0.226 20 S C 1.985 176.682 174.600 0.161 0.000 1.033 20 S CA 1.325 59.636 58.200 0.186 0.000 1.011 20 S CB -0.549 62.811 63.200 0.266 0.000 0.852 20 S HN 0.523 nan 8.310 nan 0.000 0.457 21 A N 0.887 123.779 122.820 0.121 0.000 1.969 21 A HA 0.243 4.563 4.320 -0.000 0.000 0.218 21 A C 2.385 179.882 177.584 -0.145 0.000 1.169 21 A CA 1.711 53.615 52.037 -0.223 0.000 0.635 21 A CB -1.121 17.803 19.000 -0.126 0.000 0.810 21 A HN 0.715 nan 8.150 nan 0.000 0.445 22 A N 0.002 122.799 122.820 -0.038 0.000 1.929 22 A HA -0.108 4.212 4.320 -0.000 0.000 0.216 22 A C 1.716 179.294 177.584 -0.009 0.000 1.176 22 A CA 1.744 53.767 52.037 -0.024 0.000 0.628 22 A CB -0.501 18.497 19.000 -0.003 0.000 0.816 22 A HN 0.418 nan 8.150 nan 0.000 0.444 23 D N -0.638 119.769 120.400 0.012 0.000 2.117 23 D HA -0.149 4.491 4.640 -0.000 0.000 0.197 23 D C 2.086 178.405 176.300 0.031 0.000 0.987 23 D CA 1.114 55.131 54.000 0.027 0.000 0.829 23 D CB -0.273 40.556 40.800 0.050 0.000 0.961 23 D HN 0.430 nan 8.370 nan 0.000 0.460 24 R N 0.621 121.126 120.500 0.009 0.000 2.062 24 R HA -0.120 4.220 4.340 -0.000 0.000 0.229 24 R C 1.252 177.612 176.300 0.101 0.000 1.128 24 R CA 1.266 57.392 56.100 0.043 0.000 0.960 24 R CB -0.093 30.142 30.300 -0.108 0.000 0.855 24 R HN 0.019 nan 8.270 nan 0.000 0.432 25 D N 0.351 120.748 120.400 -0.004 0.000 2.149 25 D HA -0.118 4.522 4.640 -0.000 0.000 0.198 25 D C 1.668 178.004 176.300 0.061 0.000 0.990 25 D CA 1.555 55.562 54.000 0.012 0.000 0.839 25 D CB -0.140 40.631 40.800 -0.049 0.000 0.948 25 D HN 0.369 nan 8.370 nan 0.000 0.460 26 A N 0.598 123.441 122.820 0.038 0.000 1.898 26 A HA 0.038 4.358 4.320 -0.000 0.000 0.216 26 A C 2.257 179.864 177.584 0.038 0.000 1.181 26 A CA 1.926 53.981 52.037 0.031 0.000 0.620 26 A CB -0.674 18.336 19.000 0.015 0.000 0.819 26 A HN 0.222 nan 8.150 nan 0.000 0.442 27 A N -1.701 121.145 122.820 0.044 0.000 2.015 27 A HA 0.064 4.384 4.320 -0.000 0.000 0.219 27 A C 1.939 179.503 177.584 -0.033 0.000 1.163 27 A CA 1.233 53.269 52.037 -0.002 0.000 0.646 27 A CB -0.609 18.379 19.000 -0.020 0.000 0.806 27 A HN 0.467 nan 8.150 nan 0.000 0.448 28 F N -0.301 119.630 119.950 -0.031 0.000 2.149 28 F HA -0.043 4.484 4.527 -0.000 0.000 0.294 28 F C 2.395 178.178 175.800 -0.028 0.000 1.095 28 F CA 1.713 59.695 58.000 -0.029 0.000 1.276 28 F CB -0.059 38.918 39.000 -0.038 0.000 1.023 28 F HN 0.331 nan 8.300 nan 0.000 0.480 29 E N 0.898 121.189 120.200 0.151 0.000 2.110 29 E HA -0.238 4.112 4.350 -0.000 0.000 0.193 29 E C 1.956 178.571 176.600 0.024 0.000 0.988 29 E CA 1.312 57.755 56.400 0.072 0.000 0.804 29 E CB -0.305 29.422 29.700 0.044 0.000 0.745 29 E HN 0.163 nan 8.360 nan 0.000 0.458 30 K N -0.056 120.347 120.400 0.005 0.000 2.520 30 K HA -0.111 4.209 4.320 -0.000 0.000 0.197 30 K C 1.698 178.273 176.600 -0.043 0.000 1.043 30 K CA 0.736 57.010 56.287 -0.023 0.000 0.944 30 K CB -0.174 32.308 32.500 -0.030 0.000 0.770 30 K HN 0.262 nan 8.250 nan 0.000 0.480 31 I N 0.951 121.494 120.570 -0.045 0.000 2.252 31 I HA -0.302 3.868 4.170 -0.000 0.000 0.245 31 I C 1.521 177.610 176.117 -0.047 0.000 1.102 31 I CA 1.367 62.631 61.300 -0.061 0.000 1.385 31 I CB -0.171 37.790 38.000 -0.066 0.000 1.064 31 I HN 0.294 nan 8.210 nan 0.000 0.414 32 N N 0.091 118.776 118.700 -0.026 0.000 2.104 32 N HA -0.247 4.493 4.740 -0.000 0.000 0.190 32 N C 1.775 177.256 175.510 -0.048 0.000 1.024 32 N CA 1.022 54.053 53.050 -0.032 0.000 0.853 32 N CB -0.099 38.380 38.487 -0.015 0.000 1.008 32 N HN 0.330 nan 8.380 nan 0.000 0.424 33 E N 0.321 120.495 120.200 -0.043 0.000 2.418 33 E HA -0.046 4.304 4.350 -0.000 0.000 0.197 33 E C 1.320 177.882 176.600 -0.064 0.000 1.026 33 E CA 0.332 56.704 56.400 -0.048 0.000 0.862 33 E CB 0.108 29.786 29.700 -0.036 0.000 0.799 33 E HN 0.404 nan 8.360 nan 0.000 0.518 34 A N 0.421 123.197 122.820 -0.074 0.000 2.147 34 A HA 0.058 4.378 4.320 -0.000 0.000 0.211 34 A C 2.009 179.513 177.584 -0.133 0.000 1.160 34 A CA 0.107 52.089 52.037 -0.092 0.000 0.781 34 A CB -0.005 18.945 19.000 -0.084 0.000 0.842 34 A HN 0.043 nan 8.150 nan 0.000 0.475 35 R N 0.407 120.826 120.500 -0.134 0.000 2.100 35 R HA -0.083 4.257 4.340 -0.000 0.000 0.220 35 R C 2.467 178.663 176.300 -0.175 0.000 1.091 35 R CA 1.387 57.377 56.100 -0.183 0.000 0.986 35 R CB -0.174 30.040 30.300 -0.143 0.000 0.888 35 R HN 0.621 nan 8.270 nan 0.000 0.444 36 S N 0.943 116.571 115.700 -0.120 0.000 2.400 36 S HA -0.084 4.386 4.470 -0.000 0.000 0.234 36 S C -1.022 173.514 174.600 -0.106 0.000 1.049 36 S CA 1.109 59.250 58.200 -0.098 0.000 1.039 36 S CB -1.301 61.858 63.200 -0.068 0.000 0.856 36 S HN 0.282 nan 8.310 nan 0.000 0.465 37 P HA 0.179 nan 4.420 nan 0.000 0.237 37 P C 0.771 177.982 177.300 -0.149 0.000 1.178 37 P CA 0.577 63.608 63.100 -0.116 0.000 0.766 37 P CB -0.185 31.448 31.700 -0.112 0.000 0.876 38 L N -2.345 118.750 121.223 -0.214 0.000 2.628 38 L HA 0.175 4.515 4.340 -0.000 0.000 0.229 38 L C 0.536 177.305 176.870 -0.169 0.000 1.137 38 L CA -0.058 54.623 54.840 -0.266 0.000 0.909 38 L CB -0.067 41.672 42.059 -0.533 0.000 1.137 38 L HN -0.032 nan 8.230 nan 0.000 0.470 39 L N -0.768 120.382 121.223 -0.121 0.000 2.303 39 L HA 0.533 4.873 4.340 -0.000 0.000 0.266 39 L C -2.148 174.694 176.870 -0.048 0.000 1.011 39 L CA -1.805 52.990 54.840 -0.076 0.000 0.818 39 L CB 0.945 42.960 42.059 -0.074 0.000 1.326 39 L HN -0.275 nan 8.230 nan 0.000 0.435 40 P HA -0.047 nan 4.420 nan 0.000 0.257 40 P C -1.364 175.924 177.300 -0.019 0.000 1.162 40 P CA 0.291 63.381 63.100 -0.017 0.000 0.762 40 P CB 0.118 31.812 31.700 -0.009 0.000 0.753 41 Q N 2.766 122.557 119.800 -0.016 0.000 2.290 41 Q HA 0.484 4.824 4.340 -0.000 0.000 0.259 41 Q C -0.628 175.368 176.000 -0.007 0.000 0.941 41 Q CA -0.594 55.201 55.803 -0.014 0.000 0.912 41 Q CB 2.010 30.739 28.738 -0.015 0.000 1.244 41 Q HN 0.321 nan 8.270 nan 0.000 0.441 42 L N 1.639 122.858 121.223 -0.006 0.000 2.529 42 L HA 0.567 4.907 4.340 -0.000 0.000 0.260 42 L C -0.676 176.194 176.870 -0.001 0.000 0.997 42 L CA -0.067 54.771 54.840 -0.002 0.000 0.885 42 L CB 1.534 43.591 42.059 -0.002 0.000 1.185 42 L HN 0.633 nan 8.230 nan 0.000 0.442 43 G N 3.013 111.813 108.800 0.001 0.000 2.432 43 G HA2 0.559 4.519 3.960 -0.000 0.000 0.331 43 G HA3 0.559 4.519 3.960 -0.000 0.000 0.331 43 G C -1.764 173.139 174.900 0.005 0.000 1.170 43 G CA -0.636 44.465 45.100 0.002 0.000 0.943 43 G HN 0.422 nan 8.290 nan 0.000 0.483 44 L N 2.288 123.515 121.223 0.005 0.000 2.277 44 L HA 0.707 5.047 4.340 -0.000 0.000 0.284 44 L C 0.599 177.475 176.870 0.010 0.000 1.028 44 L CA -0.756 54.089 54.840 0.008 0.000 0.835 44 L CB 0.692 42.755 42.059 0.007 0.000 1.215 44 L HN 0.576 nan 8.230 nan 0.000 0.425 45 G N 3.735 112.542 108.800 0.012 0.000 2.476 45 G HA2 0.686 4.646 3.960 -0.000 0.000 0.286 45 G HA3 0.686 4.646 3.960 -0.000 0.000 0.286 45 G C -0.981 173.930 174.900 0.019 0.000 1.177 45 G CA -0.055 45.054 45.100 0.015 0.000 0.870 45 G HN 1.263 nan 8.290 nan 0.000 0.528 46 A N 1.696 124.531 122.820 0.025 0.000 2.517 46 A HA 0.444 4.764 4.320 -0.000 0.000 0.300 46 A C -0.795 176.818 177.584 0.049 0.000 1.225 46 A CA -0.711 51.346 52.037 0.033 0.000 0.883 46 A CB 0.307 19.324 19.000 0.029 0.000 1.459 46 A HN 0.545 nan 8.150 nan 0.000 0.437 47 D N 0.379 120.813 120.400 0.056 0.000 2.437 47 D HA 0.579 5.219 4.640 -0.000 0.000 0.259 47 D C -0.725 175.665 176.300 0.149 0.000 1.118 47 D CA -0.001 54.051 54.000 0.088 0.000 1.017 47 D CB 1.318 42.158 40.800 0.067 0.000 1.120 47 D HN 0.489 nan 8.370 nan 0.000 0.541 48 Y N -0.141 120.166 120.300 0.011 0.000 2.301 48 Y HA 0.284 4.834 4.550 -0.000 0.000 0.325 48 Y C -1.454 174.463 175.900 0.027 0.000 1.103 48 Y CA -0.636 57.473 58.100 0.016 0.000 1.182 48 Y CB 1.062 39.532 38.460 0.016 0.000 1.139 48 Y HN 0.139 nan 8.280 nan 0.000 0.443 49 T N 6.315 120.797 114.554 -0.120 0.000 2.824 49 T HA 0.330 4.680 4.350 -0.000 0.000 0.280 49 T C -1.732 172.872 174.700 -0.159 0.000 0.995 49 T CA -0.399 61.675 62.100 -0.043 0.000 1.009 49 T CB 1.153 69.991 68.868 -0.050 0.000 0.955 49 T HN 0.502 nan 8.240 nan 0.000 0.452 50 Y N 1.990 122.243 120.300 -0.079 0.000 2.338 50 Y HA 0.546 5.096 4.550 -0.000 0.000 0.328 50 Y C -0.377 175.498 175.900 -0.040 0.000 0.965 50 Y CA -0.873 57.179 58.100 -0.081 0.000 1.208 50 Y CB 0.932 39.422 38.460 0.049 0.000 1.132 50 Y HN 0.629 nan 8.280 nan 0.000 0.469 51 S N 4.896 120.436 115.700 -0.267 0.000 2.646 51 S HA 0.369 4.839 4.470 -0.000 0.000 0.276 51 S C -0.734 173.677 174.600 -0.316 0.000 1.222 51 S CA -0.799 57.282 58.200 -0.197 0.000 1.014 51 S CB 0.643 63.730 63.200 -0.188 0.000 0.991 51 S HN 0.726 nan 8.310 nan 0.000 0.533 52 N N 1.167 119.810 118.700 -0.096 0.000 2.653 52 N HA 0.184 4.924 4.740 -0.000 0.000 0.261 52 N C -0.294 175.209 175.510 -0.011 0.000 1.216 52 N CA -0.304 52.726 53.050 -0.035 0.000 0.784 52 N CB 0.995 39.572 38.487 0.151 0.000 1.327 52 N HN 0.714 nan 8.380 nan 0.000 0.539 53 G N 2.027 110.777 108.800 -0.083 0.000 2.554 53 G HA2 0.330 4.290 3.960 -0.000 0.000 0.238 53 G HA3 0.330 4.290 3.960 -0.000 0.000 0.238 53 G C -0.618 174.263 174.900 -0.031 0.000 1.259 53 G CA 0.222 45.239 45.100 -0.139 0.000 0.843 53 G HN 0.643 nan 8.290 nan 0.000 0.582 54 Y N -0.801 119.492 120.300 -0.012 0.000 2.728 54 Y HA 0.692 5.242 4.550 -0.000 0.000 0.330 54 Y C 0.334 176.231 175.900 -0.006 0.000 1.234 54 Y CA -1.648 56.448 58.100 -0.006 0.000 1.070 54 Y CB 0.960 39.422 38.460 0.003 0.000 1.300 54 Y HN 0.767 nan 8.280 nan 0.000 0.467 55 R N 2.674 123.377 120.500 0.339 0.000 2.375 55 R HA -0.279 4.061 4.340 -0.000 0.000 0.294 55 R C -0.296 176.055 176.300 0.085 0.000 1.050 55 R CA 1.511 57.743 56.100 0.220 0.000 0.957 55 R CB -1.223 29.278 30.300 0.335 0.000 2.594 55 R HN 1.126 nan 8.270 nan 0.000 0.518 56 D N 0.612 121.040 120.400 0.047 0.000 3.006 56 D HA -0.227 4.413 4.640 -0.000 0.000 0.205 56 D C -0.169 176.123 176.300 -0.013 0.000 1.075 56 D CA 1.795 55.805 54.000 0.015 0.000 1.000 56 D CB -1.112 39.699 40.800 0.018 0.000 1.097 56 D HN 0.914 nan 8.370 nan 0.000 0.426 57 A N -0.285 122.518 122.820 -0.028 0.000 2.631 57 A HA 0.178 4.498 4.320 -0.000 0.000 0.258 57 A C 0.263 177.810 177.584 -0.062 0.000 1.027 57 A CA 0.408 52.405 52.037 -0.068 0.000 1.015 57 A CB 0.126 19.061 19.000 -0.108 0.000 1.206 57 A HN 0.199 nan 8.150 nan 0.000 0.556 58 N N 0.928 119.623 118.700 -0.008 0.000 2.412 58 N HA 0.353 5.093 4.740 -0.000 0.000 0.254 58 N C 1.347 176.845 175.510 -0.019 0.000 1.232 58 N CA 2.306 55.367 53.050 0.019 0.000 0.880 58 N CB 0.488 39.008 38.487 0.054 0.000 1.076 58 N HN 1.085 nan 8.380 nan 0.000 0.458 59 G N 2.686 111.473 108.800 -0.021 0.000 2.217 59 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.246 59 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.246 59 G C 0.242 175.091 174.900 -0.085 0.000 0.990 59 G CA 0.229 45.305 45.100 -0.040 0.000 0.627 59 G HN 0.695 nan 8.290 nan 0.000 0.522 60 I N 1.894 122.386 120.570 -0.130 0.000 2.304 60 I HA 0.523 4.693 4.170 -0.000 0.000 0.291 60 I C -0.760 175.276 176.117 -0.135 0.000 1.018 60 I CA -0.551 60.636 61.300 -0.189 0.000 1.260 60 I CB 0.294 38.073 38.000 -0.367 0.000 1.390 60 I HN 0.337 nan 8.210 nan 0.000 0.475 61 N N 4.384 123.013 118.700 -0.118 0.000 2.235 61 N HA 0.500 5.240 4.740 -0.000 0.000 0.293 61 N C -1.473 173.866 175.510 -0.286 0.000 1.083 61 N CA -0.797 52.120 53.050 -0.221 0.000 0.801 61 N CB 2.116 40.442 38.487 -0.268 0.000 1.559 61 N HN 0.475 nan 8.380 nan 0.000 0.472 62 S N 0.123 115.546 115.700 -0.463 0.000 2.648 62 S HA 0.661 5.131 4.470 -0.000 0.000 0.305 62 S C -1.070 173.186 174.600 -0.574 0.000 1.094 62 S CA -1.030 56.804 58.200 -0.609 0.000 0.983 62 S CB 1.157 63.909 63.200 -0.747 0.000 1.101 62 S HN 0.736 nan 8.310 nan 0.000 0.514 63 N N -0.526 117.899 118.700 -0.458 0.000 2.410 63 N HA 0.604 5.344 4.740 -0.000 0.000 0.287 63 N C -1.135 174.133 175.510 -0.402 0.000 1.044 63 N CA -0.708 52.100 53.050 -0.403 0.000 0.881 63 N CB 1.494 39.822 38.487 -0.265 0.000 1.405 63 N HN 0.833 nan 8.380 nan 0.000 0.490 64 A N 1.364 123.941 122.820 -0.404 0.000 2.312 64 A HA 0.784 5.104 4.320 -0.000 0.000 0.328 64 A C -0.422 176.995 177.584 -0.278 0.000 1.158 64 A CA -0.481 51.385 52.037 -0.285 0.000 0.821 64 A CB 0.839 19.718 19.000 -0.201 0.000 1.170 64 A HN 0.629 nan 8.150 nan 0.000 0.490 65 T N 1.817 116.286 114.554 -0.142 0.000 2.890 65 T HA 0.568 4.918 4.350 -0.000 0.000 0.295 65 T C -0.283 174.409 174.700 -0.014 0.000 0.993 65 T CA -0.295 61.777 62.100 -0.047 0.000 0.979 65 T CB 0.806 69.676 68.868 0.003 0.000 0.967 65 T HN 0.908 nan 8.240 nan 0.000 0.441 66 S N 1.887 117.591 115.700 0.007 0.000 2.689 66 S HA 0.992 5.462 4.470 -0.000 0.000 0.306 66 S C -0.750 173.864 174.600 0.024 0.000 1.104 66 S CA -1.085 57.122 58.200 0.011 0.000 0.973 66 S CB 2.154 65.357 63.200 0.006 0.000 1.121 66 S HN 1.030 nan 8.310 nan 0.000 0.523 67 A N 0.824 123.655 122.820 0.019 0.000 2.547 67 A HA 0.732 5.052 4.320 -0.000 0.000 0.298 67 A C -0.754 176.839 177.584 0.015 0.000 1.062 67 A CA -0.518 51.531 52.037 0.020 0.000 0.748 67 A CB 0.773 19.786 19.000 0.022 0.000 1.288 67 A HN 1.886 nan 8.150 nan 0.000 0.396 68 S N 1.553 117.261 115.700 0.014 0.000 2.543 68 S HA 0.655 5.125 4.470 -0.000 0.000 0.273 68 S C -0.930 173.677 174.600 0.011 0.000 1.152 68 S CA -0.785 57.422 58.200 0.012 0.000 0.910 68 S CB 0.686 63.893 63.200 0.012 0.000 1.105 68 S HN 0.954 nan 8.310 nan 0.000 0.465 69 L N 2.988 124.217 121.223 0.010 0.000 2.313 69 L HA 0.388 4.728 4.340 -0.000 0.000 0.282 69 L C 0.488 177.364 176.870 0.009 0.000 1.092 69 L CA -0.306 54.539 54.840 0.009 0.000 0.831 69 L CB 0.231 42.294 42.059 0.008 0.000 1.159 69 L HN 0.644 nan 8.230 nan 0.000 0.442 70 Q N 4.002 123.807 119.800 0.008 0.000 2.257 70 Q HA 0.733 5.073 4.340 -0.000 0.000 0.262 70 Q C -1.004 175.001 176.000 0.007 0.000 0.997 70 Q CA -0.879 54.929 55.803 0.009 0.000 0.873 70 Q CB 3.224 31.968 28.738 0.009 0.000 1.312 70 Q HN 0.502 nan 8.270 nan 0.000 0.450 71 L N 0.628 121.856 121.223 0.009 0.000 2.470 71 L HA 0.484 4.824 4.340 -0.000 0.000 0.268 71 L C -1.147 175.729 176.870 0.010 0.000 0.964 71 L CA -0.179 54.665 54.840 0.008 0.000 0.839 71 L CB 2.332 44.396 42.059 0.009 0.000 1.276 71 L HN 0.758 nan 8.230 nan 0.000 0.403 72 T N 1.163 115.720 114.554 0.006 0.000 2.940 72 T HA 0.789 5.139 4.350 -0.000 0.000 0.288 72 T C -0.788 173.916 174.700 0.007 0.000 1.033 72 T CA -0.716 61.389 62.100 0.008 0.000 1.033 72 T CB 1.892 70.762 68.868 0.004 0.000 1.079 72 T HN 0.550 nan 8.240 nan 0.000 0.496 73 Q N 0.533 120.341 119.800 0.014 0.000 2.364 73 Q HA 0.428 4.768 4.340 -0.000 0.000 0.251 73 Q C -1.184 174.835 176.000 0.030 0.000 0.927 73 Q CA -0.174 55.639 55.803 0.016 0.000 0.924 73 Q CB 2.028 30.780 28.738 0.023 0.000 1.419 73 Q HN 0.767 nan 8.270 nan 0.000 0.427 74 S N 4.544 120.256 115.700 0.020 0.000 2.549 74 S HA 0.354 4.824 4.470 -0.000 0.000 0.279 74 S C 0.610 175.266 174.600 0.093 0.000 1.321 74 S CA -0.219 58.007 58.200 0.043 0.000 1.054 74 S CB 0.226 63.425 63.200 -0.000 0.000 0.899 74 S HN 0.648 nan 8.310 nan 0.000 0.497 75 I N 2.547 123.201 120.570 0.140 0.000 3.673 75 I HA 0.334 4.504 4.170 -0.000 0.000 0.281 75 I C -0.050 176.237 176.117 0.284 0.000 1.182 75 I CA 0.616 62.028 61.300 0.187 0.000 1.391 75 I CB -0.259 37.837 38.000 0.160 0.000 1.383 75 I HN 0.575 nan 8.210 nan 0.000 0.456 76 F N 2.316 122.332 119.950 0.109 0.000 2.671 76 F HA 0.498 5.025 4.527 -0.000 0.000 0.332 76 F C -1.426 174.427 175.800 0.088 0.000 1.189 76 F CA -0.741 57.324 58.000 0.109 0.000 0.988 76 F CB 0.915 39.959 39.000 0.072 0.000 1.258 76 F HN -0.126 nan 8.300 nan 0.000 0.471 77 D N 6.306 126.594 120.400 -0.187 0.000 2.365 77 D HA 0.130 4.770 4.640 -0.000 0.000 0.235 77 D C 0.257 176.458 176.300 -0.165 0.000 1.368 77 D CA -0.236 53.694 54.000 -0.117 0.000 1.001 77 D CB 1.430 42.226 40.800 -0.007 0.000 1.364 77 D HN 0.589 nan 8.370 nan 0.000 0.577 78 M N 2.426 121.845 119.600 -0.300 0.000 2.175 78 M HA -0.091 4.389 4.480 -0.000 0.000 0.264 78 M C 1.930 178.218 176.300 -0.021 0.000 1.063 78 M CA 1.699 56.878 55.300 -0.202 0.000 1.119 78 M CB -0.367 32.110 32.600 -0.206 0.000 1.377 78 M HN 0.374 nan 8.290 nan 0.000 0.415 79 S N -0.656 115.026 115.700 -0.029 0.000 2.447 79 S HA -0.128 4.342 4.470 -0.000 0.000 0.233 79 S C 1.876 176.466 174.600 -0.017 0.000 1.006 79 S CA 0.992 59.182 58.200 -0.017 0.000 0.957 79 S CB -0.502 62.682 63.200 -0.027 0.000 0.773 79 S HN 0.568 nan 8.310 nan 0.000 0.507 80 K N -0.499 119.886 120.400 -0.025 0.000 2.167 80 K HA 0.024 4.344 4.320 -0.000 0.000 0.203 80 K C 1.612 178.138 176.600 -0.123 0.000 1.052 80 K CA 0.985 57.220 56.287 -0.087 0.000 0.956 80 K CB -0.207 32.216 32.500 -0.129 0.000 0.735 80 K HN 0.516 nan 8.250 nan 0.000 0.451 81 W N 1.304 122.537 121.300 -0.113 0.000 2.418 81 W HA -0.059 4.601 4.660 -0.000 0.000 0.292 81 W C 2.405 178.875 176.519 -0.081 0.000 1.213 81 W CA 0.469 57.754 57.345 -0.100 0.000 1.283 81 W CB -0.013 29.370 29.460 -0.128 0.000 1.119 81 W HN -0.027 nan 8.180 nan 0.000 0.542 82 R N 0.892 121.470 120.500 0.129 0.000 2.082 82 R HA -0.144 4.196 4.340 -0.000 0.000 0.234 82 R C 2.300 178.608 176.300 0.014 0.000 1.136 82 R CA 2.147 58.279 56.100 0.054 0.000 0.935 82 R CB -1.417 28.895 30.300 0.021 0.000 0.842 82 R HN 0.072 nan 8.270 nan 0.000 0.430 83 A N 0.341 123.153 122.820 -0.015 0.000 2.009 83 A HA -0.225 4.095 4.320 -0.000 0.000 0.222 83 A C 2.143 179.697 177.584 -0.050 0.000 1.175 83 A CA 1.904 53.918 52.037 -0.039 0.000 0.651 83 A CB -0.708 18.258 19.000 -0.058 0.000 0.815 83 A HN 0.386 nan 8.150 nan 0.000 0.459 84 L N -1.521 119.670 121.223 -0.054 0.000 2.068 84 L HA -0.020 4.320 4.340 -0.000 0.000 0.204 84 L C 2.461 179.317 176.870 -0.024 0.000 1.076 84 L CA 2.425 57.227 54.840 -0.063 0.000 0.753 84 L CB -0.554 41.435 42.059 -0.116 0.000 0.910 84 L HN 0.265 nan 8.230 nan 0.000 0.439 85 T N 0.001 114.567 114.554 0.019 0.000 2.867 85 T HA -0.115 4.235 4.350 -0.000 0.000 0.268 85 T C 1.709 176.402 174.700 -0.011 0.000 1.057 85 T CA 1.406 63.519 62.100 0.021 0.000 1.136 85 T CB -0.199 68.699 68.868 0.051 0.000 0.874 85 T HN 0.139 nan 8.240 nan 0.000 0.466 86 L N 1.013 122.227 121.223 -0.015 0.000 2.291 86 L HA 0.091 4.431 4.340 -0.000 0.000 0.214 86 L C 2.228 179.072 176.870 -0.044 0.000 1.120 86 L CA 1.478 56.304 54.840 -0.023 0.000 0.799 86 L CB -0.422 41.626 42.059 -0.017 0.000 0.925 86 L HN 0.130 nan 8.230 nan 0.000 0.446 87 Q N -0.946 118.819 119.800 -0.059 0.000 2.402 87 Q HA -0.031 4.309 4.340 -0.000 0.000 0.206 87 Q C 1.859 177.780 176.000 -0.132 0.000 0.919 87 Q CA 0.871 56.623 55.803 -0.085 0.000 0.923 87 Q CB 0.245 28.935 28.738 -0.079 0.000 1.048 87 Q HN 0.520 nan 8.270 nan 0.000 0.515 88 E N -0.322 119.809 120.200 -0.116 0.000 2.076 88 E HA -0.082 4.268 4.350 -0.000 0.000 0.190 88 E C 1.570 178.076 176.600 -0.157 0.000 0.979 88 E CA 0.772 57.078 56.400 -0.155 0.000 0.807 88 E CB 0.188 29.838 29.700 -0.084 0.000 0.761 88 E HN 0.206 nan 8.360 nan 0.000 0.454 89 K N 0.599 120.945 120.400 -0.089 0.000 2.097 89 K HA -0.074 4.246 4.320 -0.000 0.000 0.205 89 K C 2.045 178.602 176.600 -0.072 0.000 1.050 89 K CA 1.065 57.315 56.287 -0.061 0.000 0.938 89 K CB -0.046 32.439 32.500 -0.025 0.000 0.718 89 K HN 0.035 nan 8.250 nan 0.000 0.442 90 A N 1.246 124.015 122.820 -0.084 0.000 1.902 90 A HA -0.092 4.228 4.320 -0.000 0.000 0.217 90 A C 2.307 179.821 177.584 -0.117 0.000 1.181 90 A CA 1.819 53.810 52.037 -0.077 0.000 0.623 90 A CB -0.661 18.299 19.000 -0.067 0.000 0.818 90 A HN 0.320 nan 8.150 nan 0.000 0.443 91 A N -0.750 121.928 122.820 -0.237 0.000 2.066 91 A HA 0.260 4.580 4.320 -0.000 0.000 0.218 91 A C 2.217 179.614 177.584 -0.312 0.000 1.157 91 A CA 1.484 53.281 52.037 -0.399 0.000 0.670 91 A CB -0.940 17.513 19.000 -0.912 0.000 0.804 91 A HN 0.641 nan 8.150 nan 0.000 0.453 92 G N 0.009 108.689 108.800 -0.199 0.000 2.403 92 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.216 92 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.216 92 G C 1.470 176.383 174.900 0.022 0.000 1.154 92 G CA 0.947 46.022 45.100 -0.043 0.000 0.784 92 G HN 0.452 nan 8.290 nan 0.000 0.538 93 I N -0.063 120.507 120.570 0.001 0.000 2.252 93 I HA -0.147 4.023 4.170 -0.000 0.000 0.245 93 I C 2.807 178.957 176.117 0.055 0.000 1.102 93 I CA 1.089 62.405 61.300 0.027 0.000 1.385 93 I CB -0.032 37.976 38.000 0.012 0.000 1.064 93 I HN 0.149 nan 8.210 nan 0.000 0.414 94 Q N 0.605 120.435 119.800 0.049 0.000 2.224 94 Q HA -0.239 4.101 4.340 -0.000 0.000 0.203 94 Q C 1.558 177.655 176.000 0.160 0.000 0.970 94 Q CA 1.562 57.417 55.803 0.088 0.000 0.865 94 Q CB -0.118 28.657 28.738 0.062 0.000 0.922 94 Q HN 0.384 nan 8.270 nan 0.000 0.445 95 D N -1.879 118.636 120.400 0.192 0.000 2.234 95 D HA -0.062 4.578 4.640 -0.000 0.000 0.205 95 D C 1.420 177.852 176.300 0.220 0.000 0.962 95 D CA 0.573 54.730 54.000 0.260 0.000 0.855 95 D CB 0.361 41.371 40.800 0.351 0.000 0.951 95 D HN 0.128 nan 8.370 nan 0.000 0.500 96 V N -0.346 119.660 119.914 0.153 0.000 2.302 96 V HA -0.171 3.949 4.120 -0.000 0.000 0.243 96 V C 2.432 178.591 176.094 0.108 0.000 1.036 96 V CA 1.798 64.167 62.300 0.115 0.000 1.020 96 V CB -0.819 31.052 31.823 0.080 0.000 0.657 96 V HN 0.219 nan 8.190 nan 0.000 0.453 97 T N -0.539 114.080 114.554 0.108 0.000 2.684 97 T HA -0.332 4.018 4.350 -0.000 0.000 0.267 97 T C 1.723 176.508 174.700 0.142 0.000 1.032 97 T CA 2.733 64.896 62.100 0.105 0.000 1.155 97 T CB -0.414 68.516 68.868 0.103 0.000 0.857 97 T HN 0.601 nan 8.240 nan 0.000 0.457 98 Y N 1.390 121.721 120.300 0.053 0.000 2.220 98 Y HA -0.048 4.502 4.550 -0.000 0.000 0.291 98 Y C 2.544 178.470 175.900 0.044 0.000 1.129 98 Y CA 1.184 59.313 58.100 0.049 0.000 1.161 98 Y CB -0.344 38.148 38.460 0.055 0.000 0.997 98 Y HN 0.253 nan 8.280 nan 0.000 0.522 99 Q N -0.985 118.836 119.800 0.034 0.000 2.170 99 Q HA -0.155 4.185 4.340 -0.000 0.000 0.203 99 Q C 2.017 177.972 176.000 -0.074 0.000 0.976 99 Q CA 1.920 57.690 55.803 -0.054 0.000 0.858 99 Q CB -0.187 28.575 28.738 0.040 0.000 0.907 99 Q HN 0.423 nan 8.270 nan 0.000 0.433 100 T N 1.083 115.621 114.554 -0.027 0.000 2.788 100 T HA -0.126 4.224 4.350 -0.000 0.000 0.268 100 T C 0.996 175.667 174.700 -0.049 0.000 1.044 100 T CA 1.471 63.558 62.100 -0.022 0.000 1.139 100 T CB -0.159 68.715 68.868 0.009 0.000 0.867 100 T HN 0.233 nan 8.240 nan 0.000 0.454 101 D N 0.934 121.285 120.400 -0.082 0.000 2.194 101 D HA 0.004 4.644 4.640 -0.000 0.000 0.204 101 D C 2.323 178.535 176.300 -0.147 0.000 0.964 101 D CA 0.619 54.567 54.000 -0.087 0.000 0.846 101 D CB -0.278 40.491 40.800 -0.051 0.000 0.962 101 D HN 0.390 nan 8.370 nan 0.000 0.490 102 Q N 0.177 119.806 119.800 -0.284 0.000 2.181 102 Q HA -0.160 4.180 4.340 -0.000 0.000 0.205 102 Q C 2.059 178.012 176.000 -0.078 0.000 0.980 102 Q CA 0.996 56.653 55.803 -0.243 0.000 0.862 102 Q CB 0.041 28.571 28.738 -0.347 0.000 0.905 102 Q HN 0.400 nan 8.270 nan 0.000 0.429 103 Q N -0.640 119.117 119.800 -0.072 0.000 2.096 103 Q HA -0.099 4.241 4.340 -0.000 0.000 0.197 103 Q C 1.988 177.980 176.000 -0.014 0.000 0.964 103 Q CA 1.294 57.076 55.803 -0.036 0.000 0.838 103 Q CB 0.204 28.922 28.738 -0.034 0.000 0.906 103 Q HN 0.314 nan 8.270 nan 0.000 0.444 104 T N 1.675 116.221 114.554 -0.013 0.000 2.720 104 T HA -0.182 4.168 4.350 -0.000 0.000 0.268 104 T C 1.750 176.466 174.700 0.028 0.000 1.037 104 T CA 1.179 63.283 62.100 0.005 0.000 1.144 104 T CB -0.265 68.605 68.868 0.004 0.000 0.864 104 T HN 0.156 nan 8.240 nan 0.000 0.444 105 L N 0.687 121.934 121.223 0.039 0.000 2.046 105 L HA 0.006 4.346 4.340 -0.000 0.000 0.208 105 L C 2.116 179.084 176.870 0.163 0.000 1.077 105 L CA 1.527 56.422 54.840 0.090 0.000 0.747 105 L CB -0.513 41.595 42.059 0.082 0.000 0.896 105 L HN 0.272 nan 8.230 nan 0.000 0.432 106 I N -1.080 119.579 120.570 0.148 0.000 2.127 106 I HA -0.319 3.851 4.170 -0.000 0.000 0.241 106 I C 2.378 178.483 176.117 -0.021 0.000 1.075 106 I CA 1.600 62.893 61.300 -0.012 0.000 1.334 106 I CB -0.485 37.408 38.000 -0.177 0.000 1.040 106 I HN 0.349 nan 8.210 nan 0.000 0.405 107 L N 0.679 121.902 121.223 -0.001 0.000 2.017 107 L HA -0.228 4.112 4.340 -0.000 0.000 0.208 107 L C 2.039 178.935 176.870 0.043 0.000 1.073 107 L CA 2.027 56.876 54.840 0.015 0.000 0.745 107 L CB -0.872 41.194 42.059 0.012 0.000 0.894 107 L HN 0.225 nan 8.230 nan 0.000 0.432 108 N N -1.634 117.095 118.700 0.049 0.000 2.188 108 N HA -0.163 4.577 4.740 -0.000 0.000 0.184 108 N C 1.435 176.986 175.510 0.068 0.000 1.018 108 N CA 1.577 54.661 53.050 0.056 0.000 0.858 108 N CB -0.008 38.510 38.487 0.050 0.000 0.989 108 N HN 0.456 nan 8.380 nan 0.000 0.426 109 T N 0.694 115.298 114.554 0.083 0.000 2.770 109 T HA -0.028 4.322 4.350 -0.000 0.000 0.263 109 T C 2.078 176.808 174.700 0.050 0.000 1.039 109 T CA 1.072 63.224 62.100 0.087 0.000 1.142 109 T CB -0.224 68.737 68.868 0.155 0.000 0.868 109 T HN 0.271 nan 8.240 nan 0.000 0.435 110 A N 1.383 124.217 122.820 0.023 0.000 1.902 110 A HA -0.113 4.207 4.320 -0.000 0.000 0.217 110 A C 2.546 180.229 177.584 0.166 0.000 1.181 110 A CA 1.991 54.039 52.037 0.017 0.000 0.623 110 A CB -1.262 17.772 19.000 0.057 0.000 0.818 110 A HN 0.453 nan 8.150 nan 0.000 0.443 111 T N 0.192 114.843 114.554 0.162 0.000 2.746 111 T HA -0.016 4.334 4.350 -0.000 0.000 0.267 111 T C 2.179 176.957 174.700 0.130 0.000 1.039 111 T CA 1.593 63.800 62.100 0.178 0.000 1.142 111 T CB -0.375 68.558 68.868 0.108 0.000 0.866 111 T HN 0.584 nan 8.240 nan 0.000 0.444 112 A N 0.002 122.871 122.820 0.082 0.000 1.968 112 A HA -0.005 4.315 4.320 -0.000 0.000 0.217 112 A C 2.043 179.623 177.584 -0.007 0.000 1.169 112 A CA 1.090 53.150 52.037 0.038 0.000 0.638 112 A CB -0.831 18.193 19.000 0.041 0.000 0.812 112 A HN 0.606 nan 8.150 nan 0.000 0.446 113 Y N -0.648 119.555 120.300 -0.161 0.000 2.163 113 Y HA -0.181 4.369 4.550 -0.000 0.000 0.288 113 Y C 1.864 177.560 175.900 -0.341 0.000 1.136 113 Y CA 1.979 59.897 58.100 -0.305 0.000 1.147 113 Y CB -0.348 37.842 38.460 -0.449 0.000 0.987 113 Y HN 0.299 nan 8.280 nan 0.000 0.509 114 F N 0.187 120.151 119.950 0.023 0.000 2.325 114 F HA -0.143 4.384 4.527 -0.000 0.000 0.299 114 F C 2.092 177.665 175.800 -0.380 0.000 1.090 114 F CA 1.290 59.198 58.000 -0.154 0.000 1.392 114 F CB -0.414 38.602 39.000 0.027 0.000 1.053 114 F HN 0.141 nan 8.300 nan 0.000 0.521 115 N N -0.135 118.521 118.700 -0.073 0.000 2.244 115 N HA -0.137 4.603 4.740 -0.000 0.000 0.183 115 N C 1.827 177.210 175.510 -0.211 0.000 1.016 115 N CA 0.747 53.715 53.050 -0.136 0.000 0.866 115 N CB -0.025 38.429 38.487 -0.055 0.000 0.980 115 N HN 0.025 nan 8.380 nan 0.000 0.430 116 V N 1.627 121.393 119.914 -0.247 0.000 2.358 116 V HA -0.168 3.952 4.120 -0.000 0.000 0.246 116 V C 2.224 178.137 176.094 -0.302 0.000 1.047 116 V CA 1.210 63.352 62.300 -0.262 0.000 1.035 116 V CB -0.379 31.263 31.823 -0.301 0.000 0.658 116 V HN 0.323 nan 8.190 nan 0.000 0.452 117 L N 0.177 121.163 121.223 -0.396 0.000 2.012 117 L HA -0.228 4.112 4.340 -0.000 0.000 0.210 117 L C 2.578 179.217 176.870 -0.386 0.000 1.073 117 L CA 1.899 56.529 54.840 -0.349 0.000 0.748 117 L CB -0.777 41.100 42.059 -0.303 0.000 0.891 117 L HN 0.425 nan 8.230 nan 0.000 0.431 118 N N 0.373 118.657 118.700 -0.693 0.000 2.069 118 N HA -0.186 4.553 4.740 -0.000 0.000 0.191 118 N C 1.693 177.096 175.510 -0.179 0.000 1.031 118 N CA 1.845 54.583 53.050 -0.519 0.000 0.852 118 N CB 0.005 38.207 38.487 -0.475 0.000 1.018 118 N HN 0.331 nan 8.380 nan 0.000 0.423 119 A N 0.273 122.987 122.820 -0.177 0.000 2.066 119 A HA 0.061 4.381 4.320 -0.000 0.000 0.218 119 A C 2.418 179.941 177.584 -0.103 0.000 1.157 119 A CA 0.405 52.377 52.037 -0.108 0.000 0.670 119 A CB -0.355 18.588 19.000 -0.095 0.000 0.804 119 A HN 0.327 nan 8.150 nan 0.000 0.453 120 I N -0.200 120.292 120.570 -0.131 0.000 2.252 120 I HA -0.210 3.960 4.170 -0.000 0.000 0.245 120 I C 1.796 177.828 176.117 -0.142 0.000 1.102 120 I CA 1.352 62.578 61.300 -0.123 0.000 1.385 120 I CB -0.275 37.647 38.000 -0.130 0.000 1.064 120 I HN 0.207 nan 8.210 nan 0.000 0.414 121 D N 0.353 120.666 120.400 -0.146 0.000 2.117 121 D HA -0.137 4.503 4.640 -0.000 0.000 0.197 121 D C 2.341 178.501 176.300 -0.234 0.000 0.987 121 D CA 1.096 54.938 54.000 -0.263 0.000 0.829 121 D CB -0.334 40.398 40.800 -0.113 0.000 0.961 121 D HN 0.093 nan 8.370 nan 0.000 0.460 122 V N 0.892 120.779 119.914 -0.045 0.000 2.332 122 V HA -0.213 3.907 4.120 -0.000 0.000 0.248 122 V C 2.399 178.497 176.094 0.008 0.000 1.055 122 V CA 1.231 63.555 62.300 0.041 0.000 1.038 122 V CB -0.437 31.407 31.823 0.034 0.000 0.651 122 V HN 0.161 nan 8.190 nan 0.000 0.450 123 L N -0.548 120.647 121.223 -0.046 0.000 2.156 123 L HA -0.021 4.319 4.340 -0.000 0.000 0.208 123 L C 2.487 179.322 176.870 -0.059 0.000 1.095 123 L CA 1.981 56.793 54.840 -0.047 0.000 0.770 123 L CB -0.562 41.465 42.059 -0.053 0.000 0.914 123 L HN 0.231 nan 8.230 nan 0.000 0.439 124 S N -1.428 114.205 115.700 -0.112 0.000 2.356 124 S HA -0.192 4.278 4.470 -0.000 0.000 0.223 124 S C 1.924 176.498 174.600 -0.042 0.000 1.032 124 S CA 1.389 59.510 58.200 -0.131 0.000 1.005 124 S CB -0.381 62.660 63.200 -0.265 0.000 0.867 124 S HN 0.583 nan 8.310 nan 0.000 0.449 125 Y N 1.821 122.119 120.300 -0.003 0.000 2.314 125 Y HA 0.004 4.554 4.550 -0.000 0.000 0.293 125 Y C 2.894 178.721 175.900 -0.121 0.000 1.129 125 Y CA 0.953 59.056 58.100 0.005 0.000 1.201 125 Y CB -1.350 37.157 38.460 0.079 0.000 0.999 125 Y HN 0.250 nan 8.280 nan 0.000 0.541 126 T N -0.543 114.045 114.554 0.058 0.000 2.821 126 T HA -0.181 4.169 4.350 -0.000 0.000 0.267 126 T C 1.827 176.468 174.700 -0.098 0.000 1.046 126 T CA 1.341 63.416 62.100 -0.043 0.000 1.139 126 T CB -0.155 68.695 68.868 -0.030 0.000 0.871 126 T HN 0.363 nan 8.240 nan 0.000 0.454 127 Q N 0.304 120.064 119.800 -0.068 0.000 2.123 127 Q HA 0.083 4.423 4.340 -0.000 0.000 0.199 127 Q C 2.661 178.611 176.000 -0.084 0.000 0.966 127 Q CA 1.158 56.919 55.803 -0.069 0.000 0.845 127 Q CB -0.221 28.489 28.738 -0.046 0.000 0.907 127 Q HN 0.554 nan 8.270 nan 0.000 0.439 128 A N 0.679 123.443 122.820 -0.094 0.000 1.898 128 A HA -0.254 4.066 4.320 -0.000 0.000 0.216 128 A C 1.964 179.310 177.584 -0.397 0.000 1.181 128 A CA 1.471 53.439 52.037 -0.115 0.000 0.620 128 A CB -0.556 18.492 19.000 0.080 0.000 0.819 128 A HN 0.378 nan 8.150 nan 0.000 0.442 129 Q N -0.104 119.242 119.800 -0.757 0.000 2.084 129 Q HA -0.249 4.091 4.340 -0.000 0.000 0.202 129 Q C 2.182 178.043 176.000 -0.231 0.000 0.978 129 Q CA 2.061 57.402 55.803 -0.769 0.000 0.844 129 Q CB -0.189 28.161 28.738 -0.646 0.000 0.898 129 Q HN 0.714 nan 8.270 nan 0.000 0.426 130 K N 0.436 120.754 120.400 -0.138 0.000 2.044 130 K HA -0.239 4.081 4.320 -0.000 0.000 0.210 130 K C 1.729 178.421 176.600 0.153 0.000 1.049 130 K CA 1.984 58.269 56.287 -0.004 0.000 0.927 130 K CB -0.089 32.372 32.500 -0.065 0.000 0.713 130 K HN 0.245 nan 8.250 nan 0.000 0.443 131 E N -0.258 119.992 120.200 0.083 0.000 2.106 131 E HA -0.158 4.192 4.350 -0.000 0.000 0.192 131 E C 1.931 178.638 176.600 0.178 0.000 0.984 131 E CA 1.017 57.504 56.400 0.145 0.000 0.806 131 E CB -0.077 29.670 29.700 0.078 0.000 0.750 131 E HN 0.498 nan 8.360 nan 0.000 0.458 132 A N 0.912 123.801 122.820 0.114 0.000 1.898 132 A HA -0.145 4.175 4.320 -0.000 0.000 0.216 132 A C 2.134 179.799 177.584 0.134 0.000 1.181 132 A CA 0.953 53.071 52.037 0.135 0.000 0.620 132 A CB -0.474 18.634 19.000 0.180 0.000 0.819 132 A HN 0.147 nan 8.150 nan 0.000 0.442 133 I N -1.937 118.723 120.570 0.151 0.000 2.315 133 I HA -0.239 3.931 4.170 -0.000 0.000 0.248 133 I C 2.450 178.661 176.117 0.156 0.000 1.117 133 I CA 1.519 62.918 61.300 0.165 0.000 1.404 133 I CB -0.373 37.759 38.000 0.220 0.000 1.071 133 I HN 0.528 nan 8.210 nan 0.000 0.419 134 Y N 2.022 122.366 120.300 0.074 0.000 2.097 134 Y HA -0.259 4.291 4.550 -0.000 0.000 0.282 134 Y C 2.740 178.581 175.900 -0.099 0.000 1.152 134 Y CA 1.587 59.604 58.100 -0.138 0.000 1.136 134 Y CB -0.363 38.066 38.460 -0.052 0.000 0.975 134 Y HN -0.050 nan 8.280 nan 0.000 0.498 135 R N -0.288 120.193 120.500 -0.032 0.000 2.119 135 R HA -0.243 4.097 4.340 -0.000 0.000 0.246 135 R C 2.253 178.491 176.300 -0.104 0.000 1.146 135 R CA 1.830 57.880 56.100 -0.084 0.000 0.962 135 R CB -0.295 30.028 30.300 0.039 0.000 0.863 135 R HN 0.477 nan 8.270 nan 0.000 0.442 136 Q N 0.398 120.167 119.800 -0.051 0.000 2.050 136 Q HA -0.170 4.170 4.340 -0.000 0.000 0.202 136 Q C 2.218 178.166 176.000 -0.087 0.000 0.980 136 Q CA 1.081 56.864 55.803 -0.034 0.000 0.840 136 Q CB -0.481 28.258 28.738 0.001 0.000 0.898 136 Q HN 0.233 nan 8.270 nan 0.000 0.424 137 L N 1.605 122.730 121.223 -0.164 0.000 2.042 137 L HA -0.206 4.134 4.340 -0.000 0.000 0.210 137 L C 1.810 178.527 176.870 -0.255 0.000 1.076 137 L CA 2.310 57.020 54.840 -0.217 0.000 0.749 137 L CB -0.863 40.998 42.059 -0.330 0.000 0.893 137 L HN 0.130 nan 8.230 nan 0.000 0.432 138 D N -1.075 119.094 120.400 -0.386 0.000 2.084 138 D HA -0.281 4.359 4.640 -0.000 0.000 0.194 138 D C 2.192 178.398 176.300 -0.157 0.000 0.990 138 D CA 1.650 55.445 54.000 -0.342 0.000 0.826 138 D CB -0.211 40.315 40.800 -0.458 0.000 0.971 138 D HN 0.663 nan 8.370 nan 0.000 0.453 139 Q N -0.776 118.957 119.800 -0.112 0.000 2.297 139 Q HA -0.076 4.264 4.340 -0.000 0.000 0.204 139 Q C 1.384 177.388 176.000 0.008 0.000 0.962 139 Q CA 1.293 57.072 55.803 -0.039 0.000 0.879 139 Q CB -0.033 28.693 28.738 -0.019 0.000 0.947 139 Q HN 0.155 nan 8.270 nan 0.000 0.462 140 T N 0.464 115.026 114.554 0.013 0.000 2.851 140 T HA -0.054 4.296 4.350 -0.000 0.000 0.262 140 T C 1.715 176.467 174.700 0.086 0.000 1.043 140 T CA 1.503 63.644 62.100 0.069 0.000 1.140 140 T CB -0.289 68.611 68.868 0.055 0.000 0.872 140 T HN 0.375 nan 8.240 nan 0.000 0.446 141 T N 2.179 116.754 114.554 0.034 0.000 2.720 141 T HA -0.159 4.191 4.350 -0.000 0.000 0.268 141 T C 2.037 176.802 174.700 0.108 0.000 1.037 141 T CA 1.128 63.271 62.100 0.073 0.000 1.144 141 T CB -0.242 68.618 68.868 -0.012 0.000 0.864 141 T HN 0.235 nan 8.240 nan 0.000 0.444 142 Q N 1.126 120.950 119.800 0.040 0.000 1.993 142 Q HA -0.080 4.260 4.340 -0.000 0.000 0.202 142 Q C 2.506 178.519 176.000 0.021 0.000 0.984 142 Q CA 1.527 57.342 55.803 0.019 0.000 0.837 142 Q CB -0.211 28.523 28.738 -0.007 0.000 0.902 142 Q HN 0.494 nan 8.270 nan 0.000 0.423 143 R N -0.525 119.995 120.500 0.033 0.000 2.127 143 R HA -0.167 4.173 4.340 -0.000 0.000 0.238 143 R C 2.242 178.565 176.300 0.039 0.000 1.134 143 R CA 1.473 57.587 56.100 0.023 0.000 0.975 143 R CB -0.556 29.759 30.300 0.026 0.000 0.865 143 R HN 0.255 nan 8.270 nan 0.000 0.447 144 F N 2.076 122.019 119.950 -0.012 0.000 2.171 144 F HA -0.142 4.385 4.527 -0.000 0.000 0.300 144 F C 1.844 177.637 175.800 -0.011 0.000 1.090 144 F CA 1.339 59.335 58.000 -0.007 0.000 1.293 144 F CB -0.285 38.714 39.000 -0.002 0.000 1.013 144 F HN -0.049 nan 8.300 nan 0.000 0.486 145 N N 0.113 118.647 118.700 -0.276 0.000 2.244 145 N HA -0.136 4.604 4.740 -0.000 0.000 0.183 145 N C 1.654 176.996 175.510 -0.280 0.000 1.016 145 N CA 1.356 54.220 53.050 -0.310 0.000 0.866 145 N CB -0.053 38.388 38.487 -0.077 0.000 0.980 145 N HN 0.292 nan 8.380 nan 0.000 0.430 146 V N -0.154 119.641 119.914 -0.198 0.000 3.621 146 V HA 0.218 4.338 4.120 -0.000 0.000 0.285 146 V C 0.926 176.933 176.094 -0.145 0.000 1.346 146 V CA 0.761 62.977 62.300 -0.140 0.000 1.104 146 V CB -0.082 31.691 31.823 -0.083 0.000 0.913 146 V HN 0.457 nan 8.190 nan 0.000 0.432 147 G N 0.108 108.784 108.800 -0.206 0.000 2.132 147 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.234 147 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.234 147 G C 0.503 175.352 174.900 -0.085 0.000 0.989 147 G CA 0.560 45.562 45.100 -0.163 0.000 0.676 147 G HN 0.493 nan 8.290 nan 0.000 0.522 148 L N -0.459 120.725 121.223 -0.064 0.000 2.408 148 L HA 0.437 4.777 4.340 -0.000 0.000 0.215 148 L C 1.350 178.212 176.870 -0.013 0.000 1.081 148 L CA 1.041 55.856 54.840 -0.042 0.000 0.840 148 L CB 0.579 42.604 42.059 -0.057 0.000 1.002 148 L HN 0.503 nan 8.230 nan 0.000 0.468 149 V N -4.138 115.809 119.914 0.054 0.000 3.040 149 V HA 0.866 4.986 4.120 -0.000 0.000 0.312 149 V C -0.120 176.106 176.094 0.221 0.000 1.115 149 V CA -1.109 61.259 62.300 0.114 0.000 0.998 149 V CB 1.424 33.334 31.823 0.144 0.000 1.042 149 V HN -0.062 nan 8.190 nan 0.000 0.433 150 A N 1.740 124.675 122.820 0.191 0.000 2.346 150 A HA 0.590 4.910 4.320 -0.000 0.000 0.252 150 A C 0.929 178.591 177.584 0.131 0.000 1.089 150 A CA 0.191 52.354 52.037 0.211 0.000 0.797 150 A CB 0.086 19.156 19.000 0.117 0.000 1.047 150 A HN 1.497 nan 8.150 nan 0.000 0.494 151 I N 0.945 121.491 120.570 -0.040 0.000 2.567 151 I HA -0.176 3.994 4.170 -0.000 0.000 0.257 151 I C 2.491 178.470 176.117 -0.229 0.000 1.184 151 I CA 2.383 63.391 61.300 -0.487 0.000 1.451 151 I CB -0.154 37.523 38.000 -0.538 0.000 1.089 151 I HN 0.847 nan 8.210 nan 0.000 0.441 152 T N -1.339 113.164 114.554 -0.084 0.000 2.788 152 T HA -0.200 4.150 4.350 -0.000 0.000 0.268 152 T C 1.690 176.366 174.700 -0.040 0.000 1.044 152 T CA 1.921 63.991 62.100 -0.050 0.000 1.139 152 T CB -0.485 68.376 68.868 -0.012 0.000 0.867 152 T HN 0.355 nan 8.240 nan 0.000 0.454 153 D N 0.761 121.157 120.400 -0.007 0.000 2.144 153 D HA -0.043 4.597 4.640 -0.000 0.000 0.199 153 D C 2.282 178.566 176.300 -0.027 0.000 0.984 153 D CA 1.015 55.023 54.000 0.014 0.000 0.834 153 D CB -0.493 40.382 40.800 0.125 0.000 0.955 153 D HN 0.391 nan 8.370 nan 0.000 0.465 154 V N 0.656 120.525 119.914 -0.076 0.000 2.427 154 V HA -0.223 3.897 4.120 -0.000 0.000 0.248 154 V C 2.333 178.373 176.094 -0.089 0.000 1.051 154 V CA 1.513 63.751 62.300 -0.102 0.000 1.048 154 V CB -0.514 31.193 31.823 -0.194 0.000 0.666 154 V HN 0.212 nan 8.190 nan 0.000 0.456 155 Q N -0.145 119.597 119.800 -0.097 0.000 2.123 155 Q HA -0.154 4.186 4.340 -0.000 0.000 0.199 155 Q C 2.187 178.165 176.000 -0.037 0.000 0.966 155 Q CA 1.431 57.192 55.803 -0.069 0.000 0.845 155 Q CB -0.234 28.457 28.738 -0.077 0.000 0.907 155 Q HN 0.584 nan 8.270 nan 0.000 0.439 156 N N 0.921 119.599 118.700 -0.038 0.000 2.106 156 N HA -0.111 4.629 4.740 -0.000 0.000 0.188 156 N C 1.651 177.152 175.510 -0.014 0.000 1.029 156 N CA 1.450 54.484 53.050 -0.026 0.000 0.848 156 N CB -0.418 38.047 38.487 -0.037 0.000 1.007 156 N HN 0.253 nan 8.380 nan 0.000 0.423 157 A N 0.941 123.749 122.820 -0.020 0.000 1.908 157 A HA -0.172 4.148 4.320 -0.000 0.000 0.218 157 A C 2.239 179.850 177.584 0.045 0.000 1.181 157 A CA 1.907 53.943 52.037 -0.001 0.000 0.627 157 A CB -0.535 18.448 19.000 -0.029 0.000 0.818 157 A HN 0.299 nan 8.150 nan 0.000 0.445 158 R N 0.097 120.614 120.500 0.028 0.000 2.096 158 R HA 0.008 4.348 4.340 -0.000 0.000 0.235 158 R C 2.084 178.454 176.300 0.117 0.000 1.127 158 R CA 1.853 58.002 56.100 0.082 0.000 0.968 158 R CB -0.711 29.611 30.300 0.036 0.000 0.861 158 R HN 0.358 nan 8.270 nan 0.000 0.440 159 A N 0.230 123.086 122.820 0.059 0.000 1.908 159 A HA -0.228 4.092 4.320 -0.000 0.000 0.218 159 A C 2.157 179.771 177.584 0.051 0.000 1.181 159 A CA 1.701 53.764 52.037 0.043 0.000 0.627 159 A CB -0.619 18.391 19.000 0.017 0.000 0.818 159 A HN 0.586 nan 8.150 nan 0.000 0.445 160 Q N -2.520 117.317 119.800 0.062 0.000 2.245 160 Q HA -0.119 4.221 4.340 -0.000 0.000 0.201 160 Q C 1.823 177.877 176.000 0.089 0.000 0.955 160 Q CA 1.195 57.032 55.803 0.056 0.000 0.870 160 Q CB -0.206 28.557 28.738 0.042 0.000 0.945 160 Q HN 0.793 nan 8.270 nan 0.000 0.461 161 Y N 1.138 121.445 120.300 0.011 0.000 2.242 161 Y HA -0.211 4.339 4.550 -0.000 0.000 0.291 161 Y C 1.512 177.422 175.900 0.017 0.000 1.137 161 Y CA 1.734 59.850 58.100 0.027 0.000 1.181 161 Y CB 0.017 38.512 38.460 0.060 0.000 0.989 161 Y HN 0.159 nan 8.280 nan 0.000 0.527 162 D N -0.720 119.689 120.400 0.016 0.000 2.117 162 D HA -0.165 4.475 4.640 -0.000 0.000 0.197 162 D C 2.111 178.346 176.300 -0.108 0.000 0.987 162 D CA 1.993 55.949 54.000 -0.075 0.000 0.829 162 D CB -0.470 40.339 40.800 0.015 0.000 0.961 162 D HN 0.358 nan 8.370 nan 0.000 0.460 163 T N 0.318 114.835 114.554 -0.063 0.000 2.720 163 T HA -0.126 4.224 4.350 -0.000 0.000 0.268 163 T C 2.059 176.707 174.700 -0.088 0.000 1.037 163 T CA 0.769 62.835 62.100 -0.057 0.000 1.144 163 T CB -0.388 68.464 68.868 -0.027 0.000 0.864 163 T HN -0.012 nan 8.240 nan 0.000 0.444 164 V N 1.024 120.866 119.914 -0.118 0.000 2.548 164 V HA 0.003 4.123 4.120 -0.000 0.000 0.249 164 V C 2.227 178.204 176.094 -0.195 0.000 1.055 164 V CA 1.230 63.448 62.300 -0.137 0.000 1.065 164 V CB -0.438 31.318 31.823 -0.111 0.000 0.681 164 V HN 0.469 nan 8.190 nan 0.000 0.462 165 L N 0.017 121.062 121.223 -0.296 0.000 2.131 165 L HA -0.106 4.234 4.340 -0.000 0.000 0.210 165 L C 2.670 179.446 176.870 -0.157 0.000 1.092 165 L CA 1.497 56.173 54.840 -0.274 0.000 0.759 165 L CB -0.723 41.130 42.059 -0.344 0.000 0.903 165 L HN 0.416 nan 8.230 nan 0.000 0.435 166 A N 0.067 122.812 122.820 -0.125 0.000 1.929 166 A HA -0.158 4.162 4.320 -0.000 0.000 0.216 166 A C 1.961 179.504 177.584 -0.067 0.000 1.176 166 A CA 1.481 53.470 52.037 -0.081 0.000 0.628 166 A CB -0.444 18.518 19.000 -0.063 0.000 0.816 166 A HN 0.393 nan 8.150 nan 0.000 0.444 167 N N 0.073 118.730 118.700 -0.071 0.000 2.289 167 N HA -0.136 4.604 4.740 -0.000 0.000 0.184 167 N C 1.574 177.051 175.510 -0.055 0.000 1.016 167 N CA 1.287 54.305 53.050 -0.054 0.000 0.872 167 N CB -0.304 38.153 38.487 -0.050 0.000 0.973 167 N HN 0.721 nan 8.380 nan 0.000 0.433 168 E N -0.060 120.095 120.200 -0.074 0.000 2.107 168 E HA -0.084 4.266 4.350 -0.000 0.000 0.191 168 E C 1.227 177.793 176.600 -0.056 0.000 0.982 168 E CA 0.463 56.821 56.400 -0.070 0.000 0.809 168 E CB 0.149 29.793 29.700 -0.093 0.000 0.756 168 E HN 0.077 nan 8.360 nan 0.000 0.459 169 L N 0.744 121.934 121.223 -0.056 0.000 2.046 169 L HA -0.148 4.192 4.340 -0.000 0.000 0.208 169 L C 2.830 179.680 176.870 -0.035 0.000 1.077 169 L CA 2.190 57.004 54.840 -0.044 0.000 0.747 169 L CB -1.642 40.392 42.059 -0.042 0.000 0.896 169 L HN 0.292 nan 8.230 nan 0.000 0.432 170 T N -1.954 112.580 114.554 -0.033 0.000 2.857 170 T HA -0.062 4.288 4.350 -0.000 0.000 0.266 170 T C 1.906 176.591 174.700 -0.024 0.000 1.048 170 T CA 1.103 63.188 62.100 -0.026 0.000 1.139 170 T CB -0.082 68.772 68.868 -0.022 0.000 0.874 170 T HN 0.221 nan 8.240 nan 0.000 0.455 171 A N 1.489 124.292 122.820 -0.027 0.000 2.015 171 A HA 0.086 4.406 4.320 -0.000 0.000 0.219 171 A C 2.390 179.956 177.584 -0.030 0.000 1.163 171 A CA 1.753 53.774 52.037 -0.026 0.000 0.646 171 A CB -0.661 18.324 19.000 -0.024 0.000 0.806 171 A HN 0.606 nan 8.150 nan 0.000 0.448 172 R N 0.359 120.840 120.500 -0.032 0.000 2.093 172 R HA -0.061 4.279 4.340 -0.000 0.000 0.224 172 R C 1.823 178.109 176.300 -0.022 0.000 1.101 172 R CA 1.831 57.913 56.100 -0.029 0.000 0.979 172 R CB -0.658 29.624 30.300 -0.031 0.000 0.877 172 R HN 0.496 nan 8.270 nan 0.000 0.441 173 N N 0.215 118.903 118.700 -0.021 0.000 2.142 173 N HA -0.113 4.627 4.740 -0.000 0.000 0.186 173 N C 1.086 176.587 175.510 -0.015 0.000 1.023 173 N CA 1.997 55.037 53.050 -0.016 0.000 0.852 173 N CB -0.218 38.260 38.487 -0.016 0.000 0.998 173 N HN 0.463 nan 8.380 nan 0.000 0.424 174 N N -0.530 118.159 118.700 -0.019 0.000 2.149 174 N HA -0.148 4.592 4.740 -0.000 0.000 0.188 174 N C 1.448 176.942 175.510 -0.028 0.000 1.019 174 N CA 0.837 53.874 53.050 -0.021 0.000 0.857 174 N CB -0.101 38.373 38.487 -0.022 0.000 0.997 174 N HN 0.195 nan 8.380 nan 0.000 0.426 175 L N 1.450 122.654 121.223 -0.032 0.000 2.027 175 L HA -0.100 4.240 4.340 -0.000 0.000 0.206 175 L C 1.327 178.183 176.870 -0.023 0.000 1.074 175 L CA 1.840 56.656 54.840 -0.040 0.000 0.745 175 L CB -0.563 41.468 42.059 -0.046 0.000 0.898 175 L HN 0.037 nan 8.230 nan 0.000 0.433 176 D N -0.070 120.327 120.400 -0.005 0.000 2.123 176 D HA -0.188 4.452 4.640 -0.000 0.000 0.196 176 D C 1.826 178.139 176.300 0.021 0.000 0.992 176 D CA 1.371 55.383 54.000 0.020 0.000 0.833 176 D CB -0.267 40.543 40.800 0.015 0.000 0.954 176 D HN 0.397 nan 8.370 nan 0.000 0.455 177 N N 0.068 118.771 118.700 0.005 0.000 2.331 177 N HA -0.005 4.735 4.740 -0.000 0.000 0.180 177 N C 1.470 176.980 175.510 0.000 0.000 1.019 177 N CA 0.840 53.893 53.050 0.005 0.000 0.881 177 N CB -0.070 38.416 38.487 -0.001 0.000 0.972 177 N HN 0.119 nan 8.380 nan 0.000 0.435 178 A N -0.159 122.653 122.820 -0.014 0.000 2.081 178 A HA 0.107 4.427 4.320 -0.000 0.000 0.214 178 A C 2.279 179.849 177.584 -0.024 0.000 1.158 178 A CA 0.284 52.306 52.037 -0.025 0.000 0.724 178 A CB -0.264 18.706 19.000 -0.050 0.000 0.826 178 A HN 0.063 nan 8.150 nan 0.000 0.463 179 V N 0.204 120.109 119.914 -0.015 0.000 2.427 179 V HA -0.178 3.942 4.120 -0.000 0.000 0.248 179 V C 2.558 178.683 176.094 0.051 0.000 1.051 179 V CA 2.147 64.447 62.300 0.001 0.000 1.048 179 V CB -0.421 31.408 31.823 0.010 0.000 0.666 179 V HN 0.484 nan 8.190 nan 0.000 0.456 180 E N -0.597 119.636 120.200 0.055 0.000 2.072 180 E HA -0.179 4.171 4.350 -0.000 0.000 0.191 180 E C 2.329 178.954 176.600 0.041 0.000 0.985 180 E CA 0.811 57.244 56.400 0.056 0.000 0.801 180 E CB -0.346 29.378 29.700 0.040 0.000 0.750 180 E HN 0.498 nan 8.360 nan 0.000 0.452 181 Q N 0.322 120.138 119.800 0.027 0.000 2.112 181 Q HA -0.138 4.202 4.340 -0.000 0.000 0.206 181 Q C 2.137 178.160 176.000 0.038 0.000 0.987 181 Q CA 0.761 56.580 55.803 0.026 0.000 0.858 181 Q CB -0.462 28.284 28.738 0.014 0.000 0.905 181 Q HN 0.268 nan 8.270 nan 0.000 0.420 182 L N 0.420 121.669 121.223 0.045 0.000 2.131 182 L HA -0.073 4.267 4.340 -0.000 0.000 0.206 182 L C 2.297 179.232 176.870 0.109 0.000 1.087 182 L CA 1.216 56.100 54.840 0.073 0.000 0.767 182 L CB -0.417 41.678 42.059 0.059 0.000 0.917 182 L HN 0.210 nan 8.230 nan 0.000 0.441 183 R N -0.056 120.501 120.500 0.095 0.000 2.120 183 R HA -0.217 4.123 4.340 -0.000 0.000 0.234 183 R C 2.119 178.452 176.300 0.055 0.000 1.123 183 R CA 1.462 57.609 56.100 0.077 0.000 0.975 183 R CB -0.152 30.193 30.300 0.076 0.000 0.866 183 R HN 0.535 nan 8.270 nan 0.000 0.446 184 Q N 0.168 119.997 119.800 0.049 0.000 2.124 184 Q HA -0.132 4.208 4.340 -0.000 0.000 0.202 184 Q C 1.959 177.982 176.000 0.039 0.000 0.977 184 Q CA 1.442 57.267 55.803 0.036 0.000 0.850 184 Q CB 0.038 28.794 28.738 0.031 0.000 0.901 184 Q HN 0.372 nan 8.270 nan 0.000 0.429 185 I N -0.787 119.813 120.570 0.051 0.000 2.716 185 I HA -0.142 4.028 4.170 -0.000 0.000 0.259 185 I C 1.883 178.033 176.117 0.054 0.000 1.172 185 I CA 0.897 62.227 61.300 0.051 0.000 1.478 185 I CB 0.284 38.320 38.000 0.059 0.000 1.104 185 I HN 0.103 nan 8.210 nan 0.000 0.439 186 T N -1.445 113.154 114.554 0.076 0.000 2.999 186 T HA 0.245 4.595 4.350 -0.000 0.000 0.247 186 T C 1.454 176.191 174.700 0.062 0.000 1.012 186 T CA 0.814 62.977 62.100 0.104 0.000 1.048 186 T CB 0.591 69.600 68.868 0.235 0.000 1.020 186 T HN 0.484 nan 8.240 nan 0.000 0.478 187 G N 1.855 110.675 108.800 0.033 0.000 2.336 187 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.233 187 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.233 187 G C 0.141 175.016 174.900 -0.041 0.000 1.053 187 G CA -0.073 45.026 45.100 -0.001 0.000 0.625 187 G HN 0.493 nan 8.290 nan 0.000 0.511 188 N N -0.063 118.576 118.700 -0.101 0.000 2.492 188 N HA 0.514 5.254 4.740 -0.000 0.000 0.289 188 N C -0.789 174.504 175.510 -0.362 0.000 1.133 188 N CA -0.415 52.456 53.050 -0.298 0.000 0.961 188 N CB 1.335 39.495 38.487 -0.546 0.000 1.186 188 N HN 0.343 nan 8.380 nan 0.000 0.493 189 Y N 1.156 121.205 120.300 -0.418 0.000 2.316 189 Y HA 0.265 4.815 4.550 -0.000 0.000 0.331 189 Y C -1.003 174.594 175.900 -0.504 0.000 1.083 189 Y CA -0.396 57.506 58.100 -0.329 0.000 1.206 189 Y CB 0.367 38.728 38.460 -0.164 0.000 1.195 189 Y HN 0.400 nan 8.280 nan 0.000 0.497 190 Y N 8.123 128.032 120.300 -0.651 0.000 2.334 190 Y HA 0.310 4.860 4.550 -0.000 0.000 0.336 190 Y C -1.723 173.768 175.900 -0.683 0.000 0.960 190 Y CA -2.276 55.537 58.100 -0.478 0.000 1.164 190 Y CB 1.363 39.661 38.460 -0.271 0.000 1.155 190 Y HN 0.578 nan 8.280 nan 0.000 0.478 191 P HA -0.047 nan 4.420 nan 0.000 0.224 191 P C -0.684 176.578 177.300 -0.064 0.000 1.157 191 P CA 0.924 63.954 63.100 -0.117 0.000 0.799 191 P CB 0.628 32.365 31.700 0.061 0.000 0.809 192 E N -1.110 119.071 120.200 -0.032 0.000 2.413 192 E HA 0.589 4.939 4.350 -0.000 0.000 0.277 192 E C -1.241 175.329 176.600 -0.049 0.000 0.958 192 E CA -0.971 55.405 56.400 -0.041 0.000 0.779 192 E CB 1.325 31.015 29.700 -0.016 0.000 1.278 192 E HN -0.141 nan 8.360 nan 0.000 0.456 193 L N 0.319 121.487 121.223 -0.092 0.000 2.283 193 L HA 0.744 5.084 4.340 -0.000 0.000 0.259 193 L C -0.399 176.456 176.870 -0.027 0.000 1.027 193 L CA -1.469 53.312 54.840 -0.099 0.000 0.828 193 L CB 1.995 43.869 42.059 -0.309 0.000 1.380 193 L HN 0.785 nan 8.230 nan 0.000 0.425 194 A N 1.061 123.920 122.820 0.065 0.000 2.347 194 A HA 0.664 4.984 4.320 -0.000 0.000 0.287 194 A C 0.204 177.852 177.584 0.107 0.000 1.199 194 A CA -0.230 51.858 52.037 0.086 0.000 0.851 194 A CB 0.194 19.253 19.000 0.099 0.000 1.118 194 A HN 0.706 nan 8.150 nan 0.000 0.525 195 A N 2.441 125.302 122.820 0.069 0.000 2.386 195 A HA 0.504 4.824 4.320 -0.000 0.000 0.248 195 A C 0.273 177.951 177.584 0.157 0.000 1.082 195 A CA -0.466 51.627 52.037 0.093 0.000 0.789 195 A CB 0.077 19.107 19.000 0.050 0.000 1.025 195 A HN 1.529 nan 8.150 nan 0.000 0.490 196 L N 1.590 122.946 121.223 0.222 0.000 2.513 196 L HA 0.059 4.399 4.340 -0.000 0.000 0.272 196 L C 0.661 177.602 176.870 0.118 0.000 1.187 196 L CA 0.368 55.341 54.840 0.222 0.000 0.895 196 L CB -0.036 42.162 42.059 0.232 0.000 1.147 196 L HN 0.768 nan 8.230 nan 0.000 0.483 197 N N 3.515 122.295 118.700 0.134 0.000 2.405 197 N HA 0.125 4.865 4.740 -0.000 0.000 0.260 197 N C 0.807 176.377 175.510 0.100 0.000 1.152 197 N CA -0.119 52.993 53.050 0.105 0.000 0.948 197 N CB 0.728 39.281 38.487 0.111 0.000 1.111 197 N HN 0.674 nan 8.380 nan 0.000 0.485 198 V N 1.216 121.157 119.914 0.046 0.000 3.590 198 V HA 0.059 4.179 4.120 -0.000 0.000 0.265 198 V C 1.719 177.856 176.094 0.071 0.000 1.239 198 V CA 0.321 62.633 62.300 0.019 0.000 1.117 198 V CB -0.075 31.698 31.823 -0.083 0.000 0.818 198 V HN 0.614 nan 8.190 nan 0.000 0.451 199 E N 1.508 121.748 120.200 0.067 0.000 2.077 199 E HA -0.167 4.183 4.350 -0.000 0.000 0.193 199 E C 1.226 177.873 176.600 0.077 0.000 0.989 199 E CA 1.306 57.744 56.400 0.062 0.000 0.800 199 E CB -0.400 29.329 29.700 0.048 0.000 0.746 199 E HN 0.642 nan 8.360 nan 0.000 0.452 200 N N 0.136 118.894 118.700 0.096 0.000 2.322 200 N HA 0.020 4.760 4.740 -0.000 0.000 0.194 200 N C -0.470 175.111 175.510 0.117 0.000 1.126 200 N CA -0.189 52.913 53.050 0.088 0.000 0.845 200 N CB 0.114 38.645 38.487 0.073 0.000 0.976 200 N HN -0.007 nan 8.380 nan 0.000 0.475 201 F N 2.431 122.372 119.950 -0.015 0.000 2.541 201 F HA 0.100 4.627 4.527 -0.000 0.000 0.378 201 F C 0.107 175.870 175.800 -0.061 0.000 1.068 201 F CA 0.140 58.118 58.000 -0.036 0.000 1.199 201 F CB 0.283 39.249 39.000 -0.057 0.000 1.091 201 F HN -0.250 nan 8.300 nan 0.000 0.555 202 K N 3.027 123.081 120.400 -0.576 0.000 2.426 202 K HA 0.512 4.832 4.320 -0.000 0.000 0.251 202 K C -0.577 175.531 176.600 -0.819 0.000 0.941 202 K CA -0.984 54.993 56.287 -0.517 0.000 0.808 202 K CB 2.056 34.403 32.500 -0.254 0.000 1.265 202 K HN 0.575 nan 8.250 nan 0.000 0.432 203 T N -2.094 112.052 114.554 -0.681 0.000 2.940 203 T HA 0.489 4.839 4.350 -0.000 0.000 0.288 203 T C -0.722 173.814 174.700 -0.273 0.000 1.033 203 T CA -0.932 60.752 62.100 -0.693 0.000 1.033 203 T CB 1.290 69.608 68.868 -0.916 0.000 1.079 203 T HN 0.319 nan 8.240 nan 0.000 0.496 204 D N 1.476 121.839 120.400 -0.060 0.000 2.646 204 D HA 0.280 4.920 4.640 -0.000 0.000 0.245 204 D C -0.233 176.092 176.300 0.042 0.000 1.099 204 D CA -0.716 53.283 54.000 -0.002 0.000 0.849 204 D CB 1.941 42.758 40.800 0.029 0.000 1.448 204 D HN 0.413 nan 8.370 nan 0.000 0.489 205 K N 2.234 122.640 120.400 0.010 0.000 2.436 205 K HA 0.186 4.506 4.320 -0.000 0.000 0.275 205 K C -1.922 174.710 176.600 0.053 0.000 0.999 205 K CA -0.953 55.345 56.287 0.019 0.000 0.980 205 K CB 0.134 32.640 32.500 0.011 0.000 0.919 205 K HN 0.300 nan 8.250 nan 0.000 0.484 206 P HA 0.062 nan 4.420 nan 0.000 0.274 206 P C -0.270 177.125 177.300 0.159 0.000 1.256 206 P CA -0.419 62.754 63.100 0.121 0.000 0.795 206 P CB 0.495 32.298 31.700 0.173 0.000 1.038 207 Q N 0.139 120.019 119.800 0.133 0.000 2.474 207 Q HA 0.179 4.519 4.340 -0.000 0.000 0.256 207 Q C -1.938 174.144 176.000 0.135 0.000 1.048 207 Q CA -1.172 54.690 55.803 0.099 0.000 0.922 207 Q CB -1.154 27.613 28.738 0.047 0.000 1.288 207 Q HN 0.364 nan 8.270 nan 0.000 0.484 208 P HA -0.041 nan 4.420 nan 0.000 0.270 208 P C 0.853 177.993 177.300 -0.267 0.000 1.223 208 P CA -0.084 63.011 63.100 -0.009 0.000 0.785 208 P CB 0.546 32.240 31.700 -0.011 0.000 0.923 209 V N 2.446 121.952 119.914 -0.680 0.000 2.407 209 V HA -0.287 3.833 4.120 -0.000 0.000 0.248 209 V C 1.591 177.463 176.094 -0.371 0.000 1.055 209 V CA 2.223 64.007 62.300 -0.861 0.000 1.049 209 V CB -1.153 29.916 31.823 -1.256 0.000 0.662 209 V HN 0.522 nan 8.190 nan 0.000 0.455 210 N N 0.318 118.874 118.700 -0.241 0.000 2.166 210 N HA -0.103 4.637 4.740 -0.000 0.000 0.186 210 N C 1.902 177.354 175.510 -0.097 0.000 1.019 210 N CA 1.263 54.232 53.050 -0.134 0.000 0.856 210 N CB -0.369 38.064 38.487 -0.091 0.000 0.993 210 N HN 0.549 nan 8.380 nan 0.000 0.426 211 A N 1.161 123.926 122.820 -0.092 0.000 1.898 211 A HA -0.058 4.262 4.320 -0.000 0.000 0.216 211 A C 2.134 179.686 177.584 -0.053 0.000 1.181 211 A CA 0.975 52.979 52.037 -0.055 0.000 0.620 211 A CB -0.682 18.297 19.000 -0.036 0.000 0.819 211 A HN 0.159 nan 8.150 nan 0.000 0.442 212 L N -0.672 120.504 121.223 -0.078 0.000 2.046 212 L HA -0.175 4.165 4.340 -0.000 0.000 0.208 212 L C 2.570 179.406 176.870 -0.058 0.000 1.077 212 L CA 1.014 55.819 54.840 -0.060 0.000 0.747 212 L CB -0.600 41.421 42.059 -0.064 0.000 0.896 212 L HN 0.355 nan 8.230 nan 0.000 0.432 213 L N -0.169 121.004 121.223 -0.083 0.000 2.012 213 L HA -0.266 4.074 4.340 -0.000 0.000 0.210 213 L C 2.723 179.578 176.870 -0.025 0.000 1.073 213 L CA 1.395 56.200 54.840 -0.060 0.000 0.748 213 L CB -0.438 41.577 42.059 -0.074 0.000 0.891 213 L HN 0.190 nan 8.230 nan 0.000 0.431 214 K N 0.343 120.728 120.400 -0.024 0.000 2.032 214 K HA -0.268 4.052 4.320 -0.000 0.000 0.209 214 K C 2.031 178.629 176.600 -0.003 0.000 1.048 214 K CA 1.708 57.991 56.287 -0.008 0.000 0.927 214 K CB -0.105 32.387 32.500 -0.013 0.000 0.712 214 K HN 0.086 nan 8.250 nan 0.000 0.441 215 E N -0.232 119.962 120.200 -0.010 0.000 2.153 215 E HA -0.097 4.253 4.350 -0.000 0.000 0.194 215 E C 1.509 178.109 176.600 0.000 0.000 0.988 215 E CA 1.489 57.886 56.400 -0.004 0.000 0.811 215 E CB -0.226 29.470 29.700 -0.008 0.000 0.746 215 E HN 0.386 nan 8.360 nan 0.000 0.466 216 A N -0.047 122.772 122.820 -0.002 0.000 1.975 216 A HA 0.005 4.325 4.320 -0.000 0.000 0.215 216 A C 1.988 179.583 177.584 0.019 0.000 1.170 216 A CA 1.091 53.130 52.037 0.003 0.000 0.656 216 A CB -0.339 18.656 19.000 -0.008 0.000 0.821 216 A HN 0.201 nan 8.150 nan 0.000 0.449 217 E N 0.030 120.249 120.200 0.031 0.000 2.153 217 E HA -0.144 4.206 4.350 -0.000 0.000 0.194 217 E C 1.994 178.614 176.600 0.034 0.000 0.988 217 E CA 1.270 57.702 56.400 0.053 0.000 0.811 217 E CB -0.056 29.684 29.700 0.068 0.000 0.746 217 E HN 0.591 nan 8.360 nan 0.000 0.466 218 K N -0.297 120.117 120.400 0.022 0.000 2.031 218 K HA 0.004 4.324 4.320 -0.000 0.000 0.205 218 K C 1.931 178.542 176.600 0.019 0.000 1.049 218 K CA 1.001 57.299 56.287 0.018 0.000 0.939 218 K CB 0.161 32.668 32.500 0.012 0.000 0.717 218 K HN -0.087 nan 8.250 nan 0.000 0.438 219 R N 0.092 120.602 120.500 0.016 0.000 2.419 219 R HA 0.069 4.409 4.340 -0.000 0.000 0.235 219 R C -0.159 176.150 176.300 0.015 0.000 0.899 219 R CA -0.200 55.909 56.100 0.015 0.000 1.048 219 R CB 0.372 30.678 30.300 0.011 0.000 1.182 219 R HN 0.095 nan 8.270 nan 0.000 0.544 220 N N 0.820 119.530 118.700 0.015 0.000 2.411 220 N HA -0.088 4.652 4.740 -0.000 0.000 0.261 220 N C 0.893 176.414 175.510 0.019 0.000 1.248 220 N CA 0.195 53.254 53.050 0.014 0.000 0.885 220 N CB 0.628 39.124 38.487 0.014 0.000 1.062 220 N HN 0.086 nan 8.380 nan 0.000 0.471 221 L N 2.002 123.235 121.223 0.016 0.000 2.313 221 L HA -0.017 4.323 4.340 -0.000 0.000 0.214 221 L C 2.218 179.102 176.870 0.024 0.000 1.119 221 L CA 0.340 55.193 54.840 0.022 0.000 0.809 221 L CB -0.378 41.693 42.059 0.019 0.000 0.933 221 L HN 0.576 nan 8.230 nan 0.000 0.449 222 S N 0.643 116.355 115.700 0.020 0.000 2.383 222 S HA -0.090 4.380 4.470 -0.000 0.000 0.227 222 S C 1.707 176.321 174.600 0.024 0.000 1.026 222 S CA 1.367 59.580 58.200 0.021 0.000 0.981 222 S CB -0.069 63.140 63.200 0.016 0.000 0.818 222 S HN 0.413 nan 8.310 nan 0.000 0.472 223 L N 0.288 121.528 121.223 0.027 0.000 2.477 223 L HA 0.373 4.713 4.340 -0.000 0.000 0.220 223 L C 1.656 178.545 176.870 0.031 0.000 1.106 223 L CA 0.986 55.846 54.840 0.033 0.000 0.851 223 L CB -1.438 40.651 42.059 0.049 0.000 0.994 223 L HN 0.208 nan 8.230 nan 0.000 0.462 224 L N 0.398 121.639 121.223 0.030 0.000 1.994 224 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 224 L C 2.658 179.547 176.870 0.031 0.000 1.071 224 L CA 2.029 56.887 54.840 0.031 0.000 0.745 224 L CB -0.922 41.157 42.059 0.034 0.000 0.892 224 L HN 0.514 nan 8.230 nan 0.000 0.431 225 Q N -0.871 118.948 119.800 0.032 0.000 2.112 225 Q HA -0.260 4.080 4.340 -0.000 0.000 0.206 225 Q C 2.135 178.149 176.000 0.023 0.000 0.987 225 Q CA 2.038 57.859 55.803 0.031 0.000 0.858 225 Q CB -0.275 28.483 28.738 0.033 0.000 0.905 225 Q HN 0.718 nan 8.270 nan 0.000 0.420 226 A N 0.633 123.465 122.820 0.020 0.000 1.972 226 A HA -0.189 4.131 4.320 -0.000 0.000 0.219 226 A C 2.003 179.591 177.584 0.006 0.000 1.169 226 A CA 1.265 53.308 52.037 0.010 0.000 0.635 226 A CB -0.404 18.602 19.000 0.010 0.000 0.810 226 A HN 0.263 nan 8.150 nan 0.000 0.446 227 R N -0.746 119.763 120.500 0.014 0.000 2.073 227 R HA 0.056 4.396 4.340 -0.000 0.000 0.229 227 R C 2.006 178.323 176.300 0.028 0.000 1.120 227 R CA 1.148 57.258 56.100 0.017 0.000 0.967 227 R CB -0.363 29.950 30.300 0.021 0.000 0.862 227 R HN 0.512 nan 8.270 nan 0.000 0.436 228 L N -0.120 121.120 121.223 0.029 0.000 2.141 228 L HA -0.114 4.226 4.340 -0.000 0.000 0.209 228 L C 2.174 179.064 176.870 0.032 0.000 1.094 228 L CA 0.997 55.856 54.840 0.031 0.000 0.763 228 L CB -0.276 41.801 42.059 0.029 0.000 0.908 228 L HN 0.153 nan 8.230 nan 0.000 0.437 229 S N -1.094 114.622 115.700 0.025 0.000 2.481 229 S HA -0.140 4.330 4.470 -0.000 0.000 0.231 229 S C 1.824 176.443 174.600 0.031 0.000 0.996 229 S CA 0.767 58.981 58.200 0.023 0.000 0.942 229 S CB 0.064 63.272 63.200 0.013 0.000 0.768 229 S HN 0.402 nan 8.310 nan 0.000 0.520 230 Q N 0.418 120.238 119.800 0.032 0.000 2.165 230 Q HA -0.080 4.260 4.340 -0.000 0.000 0.197 230 Q C 1.650 177.757 176.000 0.179 0.000 0.952 230 Q CA 0.985 56.816 55.803 0.047 0.000 0.848 230 Q CB -0.105 28.623 28.738 -0.016 0.000 0.931 230 Q HN 0.409 nan 8.270 nan 0.000 0.470 231 D N 0.532 121.008 120.400 0.126 0.000 2.106 231 D HA -0.219 4.421 4.640 -0.000 0.000 0.191 231 D C 1.894 178.251 176.300 0.095 0.000 0.997 231 D CA 0.933 54.998 54.000 0.108 0.000 0.834 231 D CB -0.241 40.597 40.800 0.063 0.000 0.956 231 D HN 0.186 nan 8.370 nan 0.000 0.448 232 L N 0.269 121.536 121.223 0.074 0.000 2.042 232 L HA -0.132 4.208 4.340 -0.000 0.000 0.210 232 L C 2.137 179.056 176.870 0.081 0.000 1.076 232 L CA 2.056 56.929 54.840 0.056 0.000 0.749 232 L CB -1.197 40.884 42.059 0.038 0.000 0.893 232 L HN 0.159 nan 8.230 nan 0.000 0.432 233 A N -0.834 122.069 122.820 0.138 0.000 2.066 233 A HA -0.163 4.157 4.320 -0.000 0.000 0.218 233 A C 2.411 180.126 177.584 0.219 0.000 1.157 233 A CA 0.916 53.068 52.037 0.191 0.000 0.670 233 A CB -0.418 18.723 19.000 0.236 0.000 0.804 233 A HN 0.415 nan 8.150 nan 0.000 0.453 234 R N -0.595 120.017 120.500 0.186 0.000 2.066 234 R HA -0.078 4.262 4.340 -0.000 0.000 0.224 234 R C 2.027 178.296 176.300 -0.051 0.000 1.122 234 R CA 1.372 57.441 56.100 -0.052 0.000 0.974 234 R CB -0.161 30.090 30.300 -0.082 0.000 0.871 234 R HN 0.449 nan 8.270 nan 0.000 0.435 235 E N 0.722 120.920 120.200 -0.002 0.000 2.267 235 E HA -0.204 4.146 4.350 -0.000 0.000 0.197 235 E C 1.623 178.219 176.600 -0.006 0.000 0.998 235 E CA 1.340 57.735 56.400 -0.008 0.000 0.830 235 E CB 0.097 29.800 29.700 0.006 0.000 0.751 235 E HN 0.323 nan 8.360 nan 0.000 0.491 236 Q N -0.779 119.027 119.800 0.010 0.000 2.331 236 Q HA 0.070 4.410 4.340 -0.000 0.000 0.203 236 Q C 1.858 177.854 176.000 -0.007 0.000 0.944 236 Q CA 0.596 56.404 55.803 0.009 0.000 0.892 236 Q CB 0.130 28.887 28.738 0.032 0.000 0.983 236 Q HN 0.393 nan 8.270 nan 0.000 0.482 237 I N -0.108 120.446 120.570 -0.027 0.000 2.202 237 I HA -0.273 3.897 4.170 -0.000 0.000 0.242 237 I C 2.189 178.275 176.117 -0.052 0.000 1.091 237 I CA 1.041 62.308 61.300 -0.055 0.000 1.368 237 I CB -0.117 37.811 38.000 -0.120 0.000 1.058 237 I HN 0.118 nan 8.210 nan 0.000 0.410 238 R N 0.263 120.733 120.500 -0.051 0.000 2.091 238 R HA -0.254 4.086 4.340 -0.000 0.000 0.238 238 R C 2.318 178.602 176.300 -0.026 0.000 1.136 238 R CA 1.649 57.727 56.100 -0.036 0.000 0.959 238 R CB -0.375 29.904 30.300 -0.034 0.000 0.856 238 R HN 0.456 nan 8.270 nan 0.000 0.437 239 Q N 0.025 119.810 119.800 -0.024 0.000 2.167 239 Q HA -0.108 4.232 4.340 -0.000 0.000 0.202 239 Q C 1.867 177.844 176.000 -0.038 0.000 0.970 239 Q CA 1.391 57.180 55.803 -0.024 0.000 0.855 239 Q CB 0.065 28.792 28.738 -0.019 0.000 0.911 239 Q HN 0.380 nan 8.270 nan 0.000 0.438 240 A N 0.469 123.263 122.820 -0.044 0.000 1.897 240 A HA -0.170 4.150 4.320 -0.000 0.000 0.215 240 A C 1.883 179.408 177.584 -0.098 0.000 1.181 240 A CA 1.168 53.164 52.037 -0.068 0.000 0.620 240 A CB -0.425 18.540 19.000 -0.059 0.000 0.821 240 A HN 0.452 nan 8.150 nan 0.000 0.443 241 Q N -0.329 119.435 119.800 -0.059 0.000 2.291 241 Q HA -0.176 4.164 4.340 -0.000 0.000 0.206 241 Q C 0.889 176.888 176.000 -0.001 0.000 0.976 241 Q CA 1.303 57.094 55.803 -0.020 0.000 0.875 241 Q CB -0.086 28.664 28.738 0.020 0.000 0.927 241 Q HN 0.574 nan 8.270 nan 0.000 0.450 242 D N -0.789 119.599 120.400 -0.021 0.000 2.269 242 D HA -0.075 4.565 4.640 -0.000 0.000 0.208 242 D C 1.687 177.976 176.300 -0.018 0.000 0.963 242 D CA 0.976 54.976 54.000 -0.001 0.000 0.864 242 D CB -0.344 40.448 40.800 -0.014 0.000 0.936 242 D HN 0.375 nan 8.370 nan 0.000 0.505 243 G N -0.449 108.295 108.800 -0.093 0.000 2.498 243 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.219 243 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.219 243 G C 1.271 176.118 174.900 -0.088 0.000 1.119 243 G CA 0.571 45.600 45.100 -0.119 0.000 0.766 243 G HN 0.423 nan 8.290 nan 0.000 0.552 244 H N -0.631 118.435 119.070 -0.006 0.000 2.436 244 H HA 0.226 4.782 4.556 -0.000 0.000 0.294 244 H C 0.968 176.305 175.328 0.016 0.000 1.048 244 H CA -0.412 55.638 56.048 0.003 0.000 1.353 244 H CB 0.113 29.880 29.762 0.008 0.000 1.414 244 H HN 0.190 nan 8.280 nan 0.000 0.536 245 L N 2.925 124.243 121.223 0.158 0.000 2.452 245 L HA 0.148 4.488 4.340 -0.000 0.000 0.267 245 L C -1.922 174.995 176.870 0.078 0.000 1.188 245 L CA -2.079 52.846 54.840 0.142 0.000 0.821 245 L CB 0.142 42.325 42.059 0.205 0.000 1.102 245 L HN 0.036 nan 8.230 nan 0.000 0.470 246 P HA 0.058 nan 4.420 nan 0.000 0.275 246 P C -0.611 176.652 177.300 -0.062 0.000 1.227 246 P CA -0.262 62.723 63.100 -0.192 0.000 0.781 246 P CB 1.149 32.642 31.700 -0.346 0.000 0.906 247 T N 2.843 117.276 114.554 -0.201 0.000 2.794 247 T HA 0.379 4.729 4.350 -0.000 0.000 0.280 247 T C -0.657 174.013 174.700 -0.050 0.000 0.987 247 T CA -0.789 61.304 62.100 -0.011 0.000 0.993 247 T CB 0.233 69.095 68.868 -0.010 0.000 0.939 247 T HN 0.239 nan 8.240 nan 0.000 0.449 248 L N 4.769 126.078 121.223 0.143 0.000 2.324 248 L HA 0.542 4.882 4.340 -0.000 0.000 0.274 248 L C -0.692 176.267 176.870 0.148 0.000 1.012 248 L CA -0.205 54.735 54.840 0.166 0.000 0.859 248 L CB 0.611 42.804 42.059 0.224 0.000 1.224 248 L HN 0.858 nan 8.230 nan 0.000 0.429 249 D N 3.114 123.578 120.400 0.106 0.000 2.478 249 D HA 0.619 5.259 4.640 -0.000 0.000 0.263 249 D C -0.849 175.498 176.300 0.078 0.000 1.153 249 D CA -0.203 53.846 54.000 0.082 0.000 1.038 249 D CB 2.183 43.016 40.800 0.055 0.000 1.120 249 D HN 0.446 nan 8.370 nan 0.000 0.564 250 L N 0.304 121.563 121.223 0.059 0.000 2.438 250 L HA 0.515 4.855 4.340 -0.000 0.000 0.270 250 L C -1.098 175.795 176.870 0.038 0.000 0.972 250 L CA -0.266 54.604 54.840 0.051 0.000 0.831 250 L CB 1.761 43.850 42.059 0.051 0.000 1.273 250 L HN 0.518 nan 8.230 nan 0.000 0.405 251 T N 1.817 116.392 114.554 0.035 0.000 2.950 251 T HA 0.957 5.307 4.350 -0.000 0.000 0.288 251 T C -0.508 174.206 174.700 0.023 0.000 1.035 251 T CA -0.578 61.538 62.100 0.027 0.000 1.028 251 T CB 2.018 70.901 68.868 0.026 0.000 1.109 251 T HN 0.837 nan 8.240 nan 0.000 0.514 252 A N 1.134 123.966 122.820 0.019 0.000 2.555 252 A HA 0.764 5.084 4.320 -0.000 0.000 0.297 252 A C -0.634 176.958 177.584 0.014 0.000 1.060 252 A CA -0.929 51.118 52.037 0.017 0.000 0.710 252 A CB 1.165 20.175 19.000 0.016 0.000 1.282 252 A HN 1.216 nan 8.150 nan 0.000 0.399 253 S N -0.044 115.664 115.700 0.013 0.000 2.607 253 S HA 0.857 5.327 4.470 -0.000 0.000 0.273 253 S C -0.687 173.920 174.600 0.011 0.000 1.148 253 S CA -0.555 57.652 58.200 0.012 0.000 0.833 253 S CB 1.899 65.106 63.200 0.012 0.000 1.130 253 S HN 1.582 nan 8.310 nan 0.000 0.470 254 T N 0.541 115.101 114.554 0.010 0.000 3.089 254 T HA 0.633 4.983 4.350 -0.000 0.000 0.340 254 T C -0.359 174.347 174.700 0.010 0.000 1.008 254 T CA -0.184 61.922 62.100 0.010 0.000 1.096 254 T CB -0.059 68.814 68.868 0.009 0.000 1.024 254 T HN 1.121 nan 8.240 nan 0.000 0.477 255 G N 4.652 113.458 108.800 0.010 0.000 2.470 255 G HA2 0.663 4.623 3.960 -0.000 0.000 0.320 255 G HA3 0.663 4.623 3.960 -0.000 0.000 0.320 255 G C -0.151 174.755 174.900 0.010 0.000 1.245 255 G CA -0.979 44.127 45.100 0.010 0.000 0.935 255 G HN 0.979 nan 8.290 nan 0.000 0.476 256 I N 0.257 120.834 120.570 0.010 0.000 2.677 256 I HA 0.847 5.017 4.170 -0.000 0.000 0.305 256 I C -0.053 176.068 176.117 0.008 0.000 0.988 256 I CA -0.744 60.562 61.300 0.010 0.000 1.260 256 I CB 2.216 40.222 38.000 0.011 0.000 1.410 256 I HN 0.464 nan 8.210 nan 0.000 0.523 257 S N 1.826 117.529 115.700 0.005 0.000 2.653 257 S HA 0.321 4.791 4.470 -0.000 0.000 0.268 257 S C -0.727 173.870 174.600 -0.005 0.000 1.153 257 S CA -0.873 57.326 58.200 -0.002 0.000 1.036 257 S CB 1.310 64.508 63.200 -0.003 0.000 1.103 257 S HN 0.748 nan 8.310 nan 0.000 0.466 258 D N 2.749 123.140 120.400 -0.015 0.000 1.658 258 D HA 0.333 4.973 4.640 -0.000 0.000 0.319 258 D C -0.147 176.131 176.300 -0.037 0.000 1.076 258 D CA 1.609 55.596 54.000 -0.020 0.000 0.860 258 D CB -0.389 40.395 40.800 -0.027 0.000 1.368 258 D HN 1.094 nan 8.370 nan 0.000 0.468 259 T N -1.278 113.221 114.554 -0.092 0.000 1.336 259 T HA 0.045 4.395 4.350 -0.000 0.000 0.693 259 T C -0.520 174.112 174.700 -0.112 0.000 0.963 259 T CA 0.051 62.049 62.100 -0.169 0.000 3.663 259 T CB -1.711 67.070 68.868 -0.146 0.000 2.108 259 T HN 0.378 nan 8.240 nan 0.000 0.429 260 S N 2.629 118.223 115.700 -0.178 0.000 2.473 260 S HA 0.806 5.276 4.470 -0.000 0.000 0.307 260 S C -0.439 174.047 174.600 -0.190 0.000 1.094 260 S CA -0.907 57.252 58.200 -0.070 0.000 1.070 260 S CB 1.113 64.303 63.200 -0.017 0.000 1.019 260 S HN 0.539 nan 8.310 nan 0.000 0.480 261 Y N 1.714 121.997 120.300 -0.027 0.000 2.392 261 Y HA 0.786 5.336 4.550 -0.000 0.000 0.323 261 Y C 1.078 176.949 175.900 -0.049 0.000 1.291 261 Y CA -0.318 57.752 58.100 -0.050 0.000 1.345 261 Y CB 1.516 39.970 38.460 -0.009 0.000 1.320 261 Y HN 0.962 nan 8.280 nan 0.000 0.518 262 S N -0.665 115.084 115.700 0.083 0.000 2.627 262 S HA 0.621 5.091 4.470 -0.000 0.000 0.268 262 S C -0.488 174.111 174.600 -0.003 0.000 1.130 262 S CA 0.060 58.275 58.200 0.025 0.000 0.819 262 S CB 0.868 64.069 63.200 0.001 0.000 1.100 262 S HN 1.785 nan 8.310 nan 0.000 0.465 263 G N 1.929 110.731 108.800 0.004 0.000 2.545 263 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.216 263 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.216 263 G C 0.914 175.809 174.900 -0.008 0.000 1.314 263 G CA 0.669 45.767 45.100 -0.003 0.000 0.906 263 G HN 2.073 nan 8.290 nan 0.000 0.563 264 S N 0.109 115.800 115.700 -0.014 0.000 2.329 264 S HA -0.037 4.433 4.470 -0.000 0.000 0.215 264 S C 1.762 176.346 174.600 -0.027 0.000 1.031 264 S CA 2.201 60.393 58.200 -0.014 0.000 0.985 264 S CB -0.216 62.978 63.200 -0.009 0.000 0.917 264 S HN 1.170 nan 8.310 nan 0.000 0.441 265 K N 1.833 122.202 120.400 -0.052 0.000 3.100 265 K HA 0.171 4.491 4.320 -0.000 0.000 0.256 265 K C 0.669 177.207 176.600 -0.104 0.000 1.146 265 K CA 0.484 56.732 56.287 -0.065 0.000 1.233 265 K CB -0.442 32.013 32.500 -0.075 0.000 1.226 265 K HN 0.652 nan 8.250 nan 0.000 0.442 266 T N -3.099 111.415 114.554 -0.067 0.000 3.014 266 T HA 0.223 4.573 4.350 -0.000 0.000 0.250 266 T C 0.924 175.640 174.700 0.027 0.000 1.060 266 T CA -0.297 61.768 62.100 -0.057 0.000 1.040 266 T CB 0.208 69.054 68.868 -0.037 0.000 0.971 266 T HN 0.109 nan 8.240 nan 0.000 0.497 267 R N 0.647 121.159 120.500 0.021 0.000 2.893 267 R HA 0.622 4.962 4.340 -0.000 0.000 0.223 267 R C 0.205 176.521 176.300 0.026 0.000 1.433 267 R CA 0.253 56.370 56.100 0.028 0.000 1.063 267 R CB 0.059 30.370 30.300 0.018 0.000 1.758 267 R HN 0.299 nan 8.270 nan 0.000 0.524 268 G N 0.240 109.050 108.800 0.018 0.000 2.438 268 G HA2 0.078 4.038 3.960 -0.000 0.000 0.191 268 G HA3 0.078 4.038 3.960 -0.000 0.000 0.191 268 G C 0.558 175.469 174.900 0.017 0.000 0.240 268 G CA 0.920 46.028 45.100 0.014 0.000 1.036 268 G HN 1.419 nan 8.290 nan 0.000 0.458 269 A N -0.475 122.354 122.820 0.015 0.000 3.168 269 A HA 0.122 4.442 4.320 -0.000 0.000 0.249 269 A C 2.170 179.775 177.584 0.034 0.000 1.280 269 A CA 1.983 54.030 52.037 0.017 0.000 1.128 269 A CB -1.650 17.359 19.000 0.015 0.000 1.160 269 A HN 2.680 nan 8.150 nan 0.000 0.900 270 A N -0.404 122.445 122.820 0.049 0.000 1.859 270 A HA 0.553 4.873 4.320 -0.000 0.000 0.212 270 A C 2.517 180.079 177.584 -0.036 0.000 1.238 270 A CA 1.719 53.801 52.037 0.075 0.000 0.613 270 A CB -0.780 18.337 19.000 0.196 0.000 0.904 270 A HN 2.689 nan 8.150 nan 0.000 0.457 271 G N -1.496 107.281 108.800 -0.039 0.000 2.623 271 G HA2 0.104 4.064 3.960 -0.000 0.000 0.281 271 G HA3 0.104 4.064 3.960 -0.000 0.000 0.281 271 G C 0.592 175.424 174.900 -0.113 0.000 1.087 271 G CA 0.803 45.864 45.100 -0.066 0.000 1.244 271 G HN 1.463 nan 8.290 nan 0.000 0.544 272 T N -1.051 113.439 114.554 -0.107 0.000 10.376 272 T HA -0.392 3.958 4.350 -0.000 0.000 0.366 272 T C 2.038 176.608 174.700 -0.215 0.000 1.790 272 T CA 2.858 64.882 62.100 -0.125 0.000 2.837 272 T CB -1.064 67.747 68.868 -0.094 0.000 2.485 272 T HN 1.678 nan 8.240 nan 0.000 0.947 273 Q N 0.026 119.612 119.800 -0.356 0.000 2.364 273 Q HA -0.068 4.272 4.340 -0.000 0.000 0.207 273 Q C 0.521 176.001 176.000 -0.866 0.000 0.970 273 Q CA 1.352 56.799 55.803 -0.594 0.000 0.888 273 Q CB -0.074 28.241 28.738 -0.706 0.000 0.951 273 Q HN 0.783 nan 8.270 nan 0.000 0.469 274 Y N 1.014 121.083 120.300 -0.384 0.000 2.699 274 Y HA 0.347 4.897 4.550 -0.000 0.000 0.282 274 Y C -0.243 175.414 175.900 -0.405 0.000 1.058 274 Y CA -1.172 56.504 58.100 -0.707 0.000 1.194 274 Y CB 0.336 38.458 38.460 -0.563 0.000 1.193 274 Y HN 0.058 nan 8.280 nan 0.000 0.562 275 D N 0.136 120.455 120.400 -0.135 0.000 2.197 275 D HA 0.080 4.720 4.640 -0.000 0.000 0.290 275 D C -0.497 175.873 176.300 0.116 0.000 1.145 275 D CA 0.338 54.338 54.000 -0.000 0.000 1.061 275 D CB 0.333 41.121 40.800 -0.020 0.000 1.151 275 D HN -0.027 nan 8.370 nan 0.000 0.504 276 D N -0.476 119.982 120.400 0.096 0.000 2.461 276 D HA 0.313 4.953 4.640 -0.000 0.000 0.240 276 D C -0.880 175.473 176.300 0.087 0.000 1.094 276 D CA -0.323 53.752 54.000 0.124 0.000 0.868 276 D CB 0.850 41.699 40.800 0.081 0.000 1.062 276 D HN 0.019 nan 8.370 nan 0.000 0.530 277 S N 1.903 117.673 115.700 0.117 0.000 2.565 277 S HA 0.363 4.833 4.470 -0.000 0.000 0.276 277 S C 0.326 174.957 174.600 0.050 0.000 1.326 277 S CA -0.784 57.459 58.200 0.071 0.000 1.045 277 S CB 1.120 64.367 63.200 0.079 0.000 0.918 277 S HN 0.273 nan 8.310 nan 0.000 0.505 278 N N 0.984 119.702 118.700 0.031 0.000 2.723 278 N HA 0.333 5.073 4.740 -0.000 0.000 0.290 278 N C -0.575 174.944 175.510 0.015 0.000 1.882 278 N CA -0.136 52.927 53.050 0.021 0.000 0.851 278 N CB 0.347 38.845 38.487 0.019 0.000 1.234 278 N HN 0.667 nan 8.380 nan 0.000 0.491 279 M N 0.072 119.682 119.600 0.015 0.000 2.198 279 M HA 0.331 4.811 4.480 -0.000 0.000 0.292 279 M C 0.458 176.764 176.300 0.010 0.000 1.150 279 M CA 0.696 56.003 55.300 0.012 0.000 1.168 279 M CB 0.467 33.075 32.600 0.013 0.000 1.388 279 M HN 0.369 nan 8.290 nan 0.000 0.447 280 G N 1.931 110.736 108.800 0.008 0.000 2.761 280 G HA2 0.493 4.453 3.960 -0.000 0.000 0.296 280 G HA3 0.493 4.453 3.960 -0.000 0.000 0.296 280 G C -2.077 172.827 174.900 0.007 0.000 1.416 280 G CA -0.606 44.499 45.100 0.008 0.000 1.105 280 G HN 0.491 nan 8.290 nan 0.000 0.565 281 Q N 0.823 120.628 119.800 0.008 0.000 2.309 281 Q HA 0.396 4.736 4.340 -0.000 0.000 0.273 281 Q C -1.346 174.659 176.000 0.008 0.000 1.040 281 Q CA -0.824 54.984 55.803 0.008 0.000 0.834 281 Q CB 2.804 31.547 28.738 0.008 0.000 1.345 281 Q HN 0.550 nan 8.270 nan 0.000 0.414 282 N N 1.903 120.608 118.700 0.008 0.000 2.399 282 N HA 0.388 5.128 4.740 -0.000 0.000 0.280 282 N C -1.043 174.473 175.510 0.010 0.000 1.008 282 N CA -0.363 52.693 53.050 0.009 0.000 0.894 282 N CB 1.628 40.120 38.487 0.008 0.000 1.273 282 N HN 0.256 nan 8.380 nan 0.000 0.486 283 K N 0.321 120.728 120.400 0.011 0.000 2.281 283 K HA 0.758 5.078 4.320 -0.000 0.000 0.242 283 K C -0.670 175.939 176.600 0.015 0.000 0.971 283 K CA -1.079 55.216 56.287 0.013 0.000 0.834 283 K CB 2.423 34.932 32.500 0.014 0.000 1.181 283 K HN 0.273 nan 8.250 nan 0.000 0.435 284 V N -2.007 117.916 119.914 0.016 0.000 2.610 284 V HA 0.631 4.751 4.120 -0.000 0.000 0.288 284 V C -0.422 175.686 176.094 0.022 0.000 1.055 284 V CA -0.794 61.517 62.300 0.019 0.000 0.902 284 V CB 1.211 33.045 31.823 0.018 0.000 1.030 284 V HN 0.884 nan 8.190 nan 0.000 0.448 285 G N 3.742 112.558 108.800 0.027 0.000 2.537 285 G HA2 0.811 4.771 3.960 -0.000 0.000 0.308 285 G HA3 0.811 4.771 3.960 -0.000 0.000 0.308 285 G C -1.305 173.620 174.900 0.042 0.000 1.237 285 G CA -1.106 44.013 45.100 0.032 0.000 0.968 285 G HN 0.820 nan 8.290 nan 0.000 0.481 286 L N 1.156 122.409 121.223 0.049 0.000 2.343 286 L HA 0.466 4.806 4.340 -0.000 0.000 0.278 286 L C 0.298 177.221 176.870 0.088 0.000 0.996 286 L CA -0.685 54.197 54.840 0.069 0.000 0.831 286 L CB 1.938 44.039 42.059 0.071 0.000 1.232 286 L HN 0.479 nan 8.230 nan 0.000 0.413 287 S N 2.433 118.192 115.700 0.099 0.000 2.616 287 S HA 0.688 5.158 4.470 -0.000 0.000 0.277 287 S C -1.036 173.678 174.600 0.191 0.000 1.234 287 S CA -0.302 57.970 58.200 0.120 0.000 1.028 287 S CB 0.886 64.134 63.200 0.080 0.000 0.988 287 S HN 0.371 nan 8.310 nan 0.000 0.522 288 F N 2.488 122.457 119.950 0.032 0.000 2.561 288 F HA 0.632 5.159 4.527 -0.000 0.000 0.313 288 F C -0.600 175.221 175.800 0.036 0.000 1.126 288 F CA -0.315 57.706 58.000 0.034 0.000 0.918 288 F CB 1.808 40.818 39.000 0.017 0.000 1.199 288 F HN 0.443 nan 8.300 nan 0.000 0.444 289 S N 6.721 122.087 115.700 -0.556 0.000 2.647 289 S HA 0.622 5.092 4.470 -0.000 0.000 0.300 289 S C -1.932 172.352 174.600 -0.527 0.000 1.129 289 S CA -0.651 57.341 58.200 -0.347 0.000 1.029 289 S CB 1.155 64.268 63.200 -0.145 0.000 1.007 289 S HN 0.695 nan 8.310 nan 0.000 0.484 290 L N 6.684 127.757 121.223 -0.250 0.000 2.376 290 L HA 0.506 4.846 4.340 -0.000 0.000 0.275 290 L C -1.927 174.949 176.870 0.009 0.000 0.987 290 L CA -1.944 52.829 54.840 -0.112 0.000 0.828 290 L CB 1.766 43.856 42.059 0.051 0.000 1.249 290 L HN 0.466 nan 8.230 nan 0.000 0.409 291 P HA -0.082 nan 4.420 nan 0.000 0.214 291 P C 1.092 178.448 177.300 0.095 0.000 1.163 291 P CA 1.626 64.757 63.100 0.051 0.000 0.889 291 P CB 0.375 32.101 31.700 0.043 0.000 0.790 292 I N -6.784 113.855 120.570 0.116 0.000 4.588 292 I HA -0.365 3.805 4.170 -0.000 0.000 0.053 292 I C 0.428 176.683 176.117 0.230 0.000 0.617 292 I CA 1.821 63.208 61.300 0.145 0.000 0.853 292 I CB -1.278 36.798 38.000 0.127 0.000 0.779 292 I HN 0.019 nan 8.210 nan 0.000 0.163 293 Y N 1.480 121.814 120.300 0.056 0.000 2.313 293 Y HA 0.451 5.001 4.550 -0.000 0.000 0.320 293 Y C -0.290 175.633 175.900 0.039 0.000 1.171 293 Y CA -0.686 57.445 58.100 0.051 0.000 1.093 293 Y CB 1.200 39.683 38.460 0.039 0.000 1.224 293 Y HN 0.088 nan 8.280 nan 0.000 0.421 294 Q N 4.323 123.914 119.800 -0.348 0.000 2.141 294 Q HA 0.333 4.673 4.340 -0.000 0.000 0.248 294 Q C 0.901 176.690 176.000 -0.352 0.000 0.834 294 Q CA 0.264 55.928 55.803 -0.232 0.000 1.096 294 Q CB 1.542 30.200 28.738 -0.134 0.000 1.189 294 Q HN 1.100 nan 8.270 nan 0.000 0.471 295 G N 0.178 108.504 108.800 -0.789 0.000 2.144 295 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.218 295 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.218 295 G C 0.677 175.361 174.900 -0.361 0.000 0.988 295 G CA -0.043 44.813 45.100 -0.408 0.000 0.659 295 G HN 0.743 nan 8.290 nan 0.000 0.522 296 G N -0.648 107.823 108.800 -0.547 0.000 2.143 296 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.248 296 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.248 296 G C 1.156 175.965 174.900 -0.152 0.000 0.991 296 G CA 1.578 46.536 45.100 -0.238 0.000 0.689 296 G HN 1.506 nan 8.290 nan 0.000 0.522 297 M N 0.016 119.510 119.600 -0.177 0.000 2.180 297 M HA -0.007 4.473 4.480 -0.000 0.000 0.260 297 M C 1.587 177.812 176.300 -0.124 0.000 1.071 297 M CA 2.150 57.377 55.300 -0.122 0.000 1.096 297 M CB -0.353 32.178 32.600 -0.116 0.000 1.276 297 M HN 0.174 nan 8.290 nan 0.000 0.426 298 V N 2.178 121.989 119.914 -0.171 0.000 3.032 298 V HA -0.090 4.030 4.120 -0.000 0.000 0.307 298 V C 0.825 176.823 176.094 -0.159 0.000 1.097 298 V CA 0.873 63.029 62.300 -0.240 0.000 1.191 298 V CB 0.662 32.204 31.823 -0.467 0.000 0.964 298 V HN 0.927 nan 8.190 nan 0.000 0.494 299 N N 0.044 118.668 118.700 -0.126 0.000 1.576 299 N HA -0.215 4.525 4.740 -0.000 0.000 0.209 299 N C 1.561 177.058 175.510 -0.022 0.000 1.399 299 N CA 1.864 54.904 53.050 -0.017 0.000 4.231 299 N CB -1.480 37.028 38.487 0.035 0.000 0.683 299 N HN 0.844 nan 8.380 nan 0.000 0.305 300 S N 0.209 115.893 115.700 -0.027 0.000 2.414 300 S HA 0.019 4.489 4.470 -0.000 0.000 0.227 300 S C 1.621 176.215 174.600 -0.010 0.000 1.022 300 S CA 1.717 59.913 58.200 -0.007 0.000 0.958 300 S CB -0.076 63.123 63.200 -0.001 0.000 0.797 300 S HN 0.480 nan 8.310 nan 0.000 0.493 301 Q N 0.027 119.803 119.800 -0.039 0.000 2.226 301 Q HA 0.001 4.341 4.340 -0.000 0.000 0.204 301 Q C 2.101 178.080 176.000 -0.036 0.000 0.975 301 Q CA 1.471 57.251 55.803 -0.039 0.000 0.866 301 Q CB -0.108 28.590 28.738 -0.068 0.000 0.915 301 Q HN 0.505 nan 8.270 nan 0.000 0.440 302 V N 0.279 120.163 119.914 -0.050 0.000 2.535 302 V HA -0.181 3.939 4.120 -0.000 0.000 0.246 302 V C 1.906 177.971 176.094 -0.047 0.000 1.045 302 V CA 1.447 63.718 62.300 -0.048 0.000 1.058 302 V CB -0.171 31.625 31.823 -0.045 0.000 0.689 302 V HN 0.234 nan 8.190 nan 0.000 0.461 303 K N -0.500 119.873 120.400 -0.044 0.000 2.057 303 K HA -0.179 4.141 4.320 -0.000 0.000 0.206 303 K C 2.289 178.873 176.600 -0.026 0.000 1.050 303 K CA 1.311 57.546 56.287 -0.087 0.000 0.935 303 K CB -0.136 32.333 32.500 -0.052 0.000 0.715 303 K HN 0.447 nan 8.250 nan 0.000 0.439 304 Q N -0.004 119.839 119.800 0.071 0.000 2.045 304 Q HA -0.197 4.143 4.340 -0.000 0.000 0.206 304 Q C 2.029 178.094 176.000 0.109 0.000 0.991 304 Q CA 1.892 57.773 55.803 0.129 0.000 0.851 304 Q CB -0.161 28.622 28.738 0.075 0.000 0.911 304 Q HN 0.354 nan 8.270 nan 0.000 0.418 305 A N -0.019 122.832 122.820 0.051 0.000 2.067 305 A HA -0.206 4.114 4.320 -0.000 0.000 0.219 305 A C 1.816 179.442 177.584 0.069 0.000 1.158 305 A CA 1.255 53.324 52.037 0.054 0.000 0.661 305 A CB -0.278 18.733 19.000 0.017 0.000 0.801 305 A HN 0.357 nan 8.150 nan 0.000 0.452 306 Q N -1.681 118.123 119.800 0.005 0.000 2.083 306 Q HA -0.098 4.242 4.340 -0.000 0.000 0.198 306 Q C 1.681 177.724 176.000 0.071 0.000 0.969 306 Q CA 1.707 57.495 55.803 -0.024 0.000 0.838 306 Q CB -0.249 28.379 28.738 -0.183 0.000 0.900 306 Q HN 0.851 nan 8.270 nan 0.000 0.436 307 Y N 0.049 120.404 120.300 0.091 0.000 2.200 307 Y HA -0.188 4.362 4.550 -0.000 0.000 0.290 307 Y C 2.342 178.283 175.900 0.068 0.000 1.137 307 Y CA 0.790 58.933 58.100 0.072 0.000 1.163 307 Y CB -0.056 38.429 38.460 0.042 0.000 0.988 307 Y HN 0.259 nan 8.280 nan 0.000 0.518 308 N N 0.418 119.256 118.700 0.230 0.000 2.348 308 N HA -0.234 4.506 4.740 -0.000 0.000 0.185 308 N C 1.702 177.300 175.510 0.147 0.000 1.019 308 N CA 1.127 54.264 53.050 0.145 0.000 0.880 308 N CB -0.288 38.268 38.487 0.114 0.000 0.965 308 N HN 0.391 nan 8.380 nan 0.000 0.437 309 F N 1.221 121.200 119.950 0.047 0.000 2.187 309 F HA -0.056 4.471 4.527 -0.000 0.000 0.295 309 F C 2.325 178.147 175.800 0.037 0.000 1.091 309 F CA 0.976 58.992 58.000 0.028 0.000 1.308 309 F CB -0.555 38.449 39.000 0.007 0.000 1.030 309 F HN -0.106 nan 8.300 nan 0.000 0.487 310 V N 0.724 120.661 119.914 0.038 0.000 2.407 310 V HA -0.085 4.035 4.120 -0.000 0.000 0.248 310 V C 2.288 178.322 176.094 -0.099 0.000 1.055 310 V CA 2.333 64.599 62.300 -0.057 0.000 1.049 310 V CB -1.401 30.486 31.823 0.106 0.000 0.662 310 V HN 0.424 nan 8.190 nan 0.000 0.455 311 G N -0.143 108.639 108.800 -0.030 0.000 2.459 311 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.217 311 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.217 311 G C 1.774 176.623 174.900 -0.085 0.000 1.183 311 G CA 1.134 46.212 45.100 -0.036 0.000 0.776 311 G HN 0.949 nan 8.290 nan 0.000 0.552 312 A N 0.152 122.899 122.820 -0.122 0.000 2.067 312 A HA 0.148 4.468 4.320 -0.000 0.000 0.219 312 A C 2.585 180.040 177.584 -0.215 0.000 1.158 312 A CA 2.009 53.963 52.037 -0.139 0.000 0.661 312 A CB -0.284 18.652 19.000 -0.108 0.000 0.801 312 A HN 0.303 nan 8.150 nan 0.000 0.452 313 S N -0.526 114.970 115.700 -0.340 0.000 2.446 313 S HA -0.040 4.430 4.470 -0.000 0.000 0.225 313 S C 1.752 176.253 174.600 -0.164 0.000 1.016 313 S CA 0.725 58.730 58.200 -0.323 0.000 0.943 313 S CB -0.094 62.817 63.200 -0.482 0.000 0.786 313 S HN 0.607 nan 8.310 nan 0.000 0.508 314 E N 1.468 121.594 120.200 -0.122 0.000 2.112 314 E HA -0.040 4.310 4.350 -0.000 0.000 0.190 314 E C 1.914 178.487 176.600 -0.044 0.000 0.979 314 E CA 0.603 56.964 56.400 -0.065 0.000 0.814 314 E CB -0.258 29.415 29.700 -0.045 0.000 0.762 314 E HN 0.577 nan 8.360 nan 0.000 0.460 315 Q N 0.417 120.187 119.800 -0.050 0.000 2.291 315 Q HA -0.042 4.298 4.340 -0.000 0.000 0.205 315 Q C 2.165 178.153 176.000 -0.020 0.000 0.970 315 Q CA 0.473 56.259 55.803 -0.028 0.000 0.876 315 Q CB 0.068 28.789 28.738 -0.028 0.000 0.935 315 Q HN 0.192 nan 8.270 nan 0.000 0.455 316 L N 0.650 121.850 121.223 -0.039 0.000 2.131 316 L HA -0.109 4.231 4.340 -0.000 0.000 0.206 316 L C 1.957 178.830 176.870 0.005 0.000 1.087 316 L CA 1.555 56.381 54.840 -0.023 0.000 0.767 316 L CB -0.170 41.857 42.059 -0.054 0.000 0.917 316 L HN 0.162 nan 8.230 nan 0.000 0.441 317 E N -0.178 120.017 120.200 -0.008 0.000 2.204 317 E HA -0.143 4.207 4.350 -0.000 0.000 0.194 317 E C 2.189 178.832 176.600 0.071 0.000 0.989 317 E CA 1.248 57.665 56.400 0.029 0.000 0.824 317 E CB 0.037 29.737 29.700 0.000 0.000 0.756 317 E HN 0.316 nan 8.360 nan 0.000 0.477 318 S N -0.729 114.992 115.700 0.035 0.000 2.355 318 S HA -0.016 4.454 4.470 -0.000 0.000 0.222 318 S C 1.843 176.463 174.600 0.034 0.000 1.031 318 S CA 1.006 59.223 58.200 0.028 0.000 0.993 318 S CB -0.274 62.932 63.200 0.010 0.000 0.859 318 S HN 0.482 nan 8.310 nan 0.000 0.453 319 A N 0.024 122.868 122.820 0.040 0.000 2.119 319 A HA -0.011 4.309 4.320 -0.000 0.000 0.216 319 A C 1.651 179.271 177.584 0.059 0.000 1.152 319 A CA 1.558 53.617 52.037 0.037 0.000 0.708 319 A CB -0.693 18.325 19.000 0.030 0.000 0.805 319 A HN 0.727 nan 8.150 nan 0.000 0.460 320 H N -0.427 118.636 119.070 -0.010 0.000 2.343 320 H HA 0.065 4.621 4.556 -0.000 0.000 0.303 320 H C 2.190 177.513 175.328 -0.008 0.000 1.068 320 H CA 1.615 57.657 56.048 -0.010 0.000 1.359 320 H CB -0.142 29.613 29.762 -0.012 0.000 1.402 320 H HN 0.323 nan 8.280 nan 0.000 0.515 321 R N -0.183 120.279 120.500 -0.063 0.000 2.105 321 R HA -0.141 4.199 4.340 -0.000 0.000 0.239 321 R C 2.572 178.811 176.300 -0.102 0.000 1.135 321 R CA 1.505 57.540 56.100 -0.108 0.000 0.967 321 R CB -0.367 29.933 30.300 0.000 0.000 0.861 321 R HN 0.402 nan 8.270 nan 0.000 0.442 322 S N 0.276 115.943 115.700 -0.055 0.000 2.489 322 S HA -0.051 4.419 4.470 -0.000 0.000 0.228 322 S C 1.941 176.510 174.600 -0.051 0.000 0.995 322 S CA 0.903 59.079 58.200 -0.039 0.000 0.934 322 S CB 0.075 63.266 63.200 -0.014 0.000 0.771 322 S HN 0.287 nan 8.310 nan 0.000 0.522 323 V N -0.699 119.169 119.914 -0.078 0.000 2.992 323 V HA 0.198 4.318 4.120 -0.000 0.000 0.250 323 V C 2.068 178.097 176.094 -0.109 0.000 1.090 323 V CA 1.009 63.266 62.300 -0.072 0.000 1.101 323 V CB -0.631 31.167 31.823 -0.042 0.000 0.743 323 V HN 0.295 nan 8.190 nan 0.000 0.468 324 V N 0.713 120.507 119.914 -0.200 0.000 2.392 324 V HA -0.248 3.872 4.120 -0.000 0.000 0.249 324 V C 2.862 178.894 176.094 -0.103 0.000 1.059 324 V CA 2.622 64.805 62.300 -0.195 0.000 1.051 324 V CB -0.746 30.889 31.823 -0.313 0.000 0.658 324 V HN 0.660 nan 8.190 nan 0.000 0.455 325 Q N 0.080 119.832 119.800 -0.080 0.000 1.993 325 Q HA -0.199 4.141 4.340 -0.000 0.000 0.202 325 Q C 2.322 178.312 176.000 -0.017 0.000 0.984 325 Q CA 2.570 58.351 55.803 -0.037 0.000 0.837 325 Q CB -0.482 28.239 28.738 -0.028 0.000 0.902 325 Q HN 0.644 nan 8.270 nan 0.000 0.423 326 T N 1.129 115.671 114.554 -0.020 0.000 2.759 326 T HA -0.134 4.216 4.350 -0.000 0.000 0.269 326 T C 1.837 176.541 174.700 0.005 0.000 1.042 326 T CA 1.619 63.717 62.100 -0.004 0.000 1.140 326 T CB -0.424 68.440 68.868 -0.008 0.000 0.864 326 T HN 0.359 nan 8.240 nan 0.000 0.455 327 V N 0.688 120.597 119.914 -0.008 0.000 2.446 327 V HA 0.054 4.174 4.120 -0.000 0.000 0.244 327 V C 2.371 178.491 176.094 0.043 0.000 1.039 327 V CA 1.216 63.521 62.300 0.008 0.000 1.045 327 V CB -0.493 31.318 31.823 -0.021 0.000 0.681 327 V HN 0.233 nan 8.190 nan 0.000 0.459 328 R N 1.266 121.775 120.500 0.016 0.000 2.081 328 R HA -0.118 4.222 4.340 -0.000 0.000 0.235 328 R C 2.680 179.058 176.300 0.130 0.000 1.131 328 R CA 1.968 58.101 56.100 0.055 0.000 0.960 328 R CB -0.458 29.848 30.300 0.010 0.000 0.856 328 R HN 0.794 nan 8.270 nan 0.000 0.436 329 S N -0.929 114.816 115.700 0.076 0.000 2.470 329 S HA 0.032 4.502 4.470 -0.000 0.000 0.225 329 S C 1.809 176.451 174.600 0.070 0.000 1.006 329 S CA 0.854 59.095 58.200 0.069 0.000 0.934 329 S CB 0.301 63.525 63.200 0.038 0.000 0.778 329 S HN 0.091 nan 8.310 nan 0.000 0.517 330 S N 1.092 116.837 115.700 0.076 0.000 2.387 330 S HA 0.119 4.589 4.470 -0.000 0.000 0.226 330 S C 1.239 175.902 174.600 0.105 0.000 1.026 330 S CA 0.967 59.208 58.200 0.069 0.000 0.972 330 S CB -0.540 62.690 63.200 0.050 0.000 0.814 330 S HN 0.692 nan 8.310 nan 0.000 0.477 331 F N 2.700 122.645 119.950 -0.007 0.000 2.259 331 F HA 0.012 4.539 4.527 -0.000 0.000 0.298 331 F C 1.657 177.462 175.800 0.008 0.000 1.088 331 F CA 1.060 59.059 58.000 -0.001 0.000 1.358 331 F CB -0.479 38.519 39.000 -0.005 0.000 1.040 331 F HN 0.169 nan 8.300 nan 0.000 0.505 332 N N 0.174 118.918 118.700 0.074 0.000 2.106 332 N HA -0.197 4.543 4.740 -0.000 0.000 0.188 332 N C 1.320 176.789 175.510 -0.069 0.000 1.029 332 N CA 1.122 54.149 53.050 -0.038 0.000 0.848 332 N CB -0.214 38.310 38.487 0.061 0.000 1.007 332 N HN 0.219 nan 8.380 nan 0.000 0.423 333 N N 1.135 119.824 118.700 -0.017 0.000 2.166 333 N HA -0.071 4.669 4.740 -0.000 0.000 0.186 333 N C 1.651 177.153 175.510 -0.014 0.000 1.019 333 N CA 0.740 53.787 53.050 -0.005 0.000 0.856 333 N CB -0.174 38.321 38.487 0.014 0.000 0.993 333 N HN 0.284 nan 8.380 nan 0.000 0.426 334 I N 0.973 121.516 120.570 -0.045 0.000 2.252 334 I HA -0.195 3.975 4.170 -0.000 0.000 0.245 334 I C 1.786 177.885 176.117 -0.029 0.000 1.102 334 I CA 0.738 62.029 61.300 -0.015 0.000 1.385 334 I CB -0.114 37.858 38.000 -0.046 0.000 1.064 334 I HN 0.103 nan 8.210 nan 0.000 0.414 335 N N 0.961 119.554 118.700 -0.179 0.000 2.142 335 N HA -0.127 4.613 4.740 -0.000 0.000 0.186 335 N C 1.916 177.369 175.510 -0.094 0.000 1.023 335 N CA 1.619 54.557 53.050 -0.188 0.000 0.852 335 N CB -0.314 37.975 38.487 -0.330 0.000 0.998 335 N HN 0.338 nan 8.380 nan 0.000 0.424 336 A N 0.441 123.218 122.820 -0.072 0.000 1.933 336 A HA -0.069 4.251 4.320 -0.000 0.000 0.218 336 A C 2.544 180.131 177.584 0.005 0.000 1.175 336 A CA 1.526 53.544 52.037 -0.032 0.000 0.628 336 A CB -0.647 18.343 19.000 -0.018 0.000 0.814 336 A HN 0.227 nan 8.150 nan 0.000 0.444 337 S N -0.430 115.295 115.700 0.041 0.000 2.368 337 S HA -0.100 4.370 4.470 -0.000 0.000 0.225 337 S C 1.789 176.428 174.600 0.064 0.000 1.030 337 S CA 1.436 59.693 58.200 0.095 0.000 0.999 337 S CB -0.439 62.872 63.200 0.184 0.000 0.844 337 S HN 0.546 nan 8.310 nan 0.000 0.459 338 I N 0.644 121.227 120.570 0.021 0.000 2.252 338 I HA -0.141 4.029 4.170 -0.000 0.000 0.245 338 I C 2.478 178.563 176.117 -0.054 0.000 1.102 338 I CA 0.816 62.077 61.300 -0.065 0.000 1.385 338 I CB -0.310 37.636 38.000 -0.091 0.000 1.064 338 I HN 0.186 nan 8.210 nan 0.000 0.414 339 S N -0.162 115.510 115.700 -0.048 0.000 2.382 339 S HA -0.176 4.294 4.470 -0.000 0.000 0.228 339 S C 2.244 176.803 174.600 -0.069 0.000 1.027 339 S CA 1.648 59.812 58.200 -0.060 0.000 0.991 339 S CB -0.124 63.039 63.200 -0.061 0.000 0.823 339 S HN 0.360 nan 8.310 nan 0.000 0.469 340 S N 0.875 116.556 115.700 -0.033 0.000 2.371 340 S HA 0.096 4.566 4.470 -0.000 0.000 0.224 340 S C 1.751 176.381 174.600 0.050 0.000 1.029 340 S CA 0.654 58.843 58.200 -0.019 0.000 0.978 340 S CB -0.263 62.998 63.200 0.102 0.000 0.833 340 S HN 0.403 nan 8.310 nan 0.000 0.466 341 I N 2.202 122.810 120.570 0.063 0.000 2.151 341 I HA -0.290 3.880 4.170 -0.000 0.000 0.243 341 I C 1.992 178.125 176.117 0.027 0.000 1.080 341 I CA 1.410 62.748 61.300 0.065 0.000 1.339 341 I CB -0.547 37.480 38.000 0.046 0.000 1.039 341 I HN 0.366 nan 8.210 nan 0.000 0.409 342 N N 0.524 119.210 118.700 -0.023 0.000 2.120 342 N HA -0.170 4.570 4.740 -0.000 0.000 0.188 342 N C 1.956 177.425 175.510 -0.067 0.000 1.024 342 N CA 1.142 54.166 53.050 -0.042 0.000 0.852 342 N CB -0.239 38.214 38.487 -0.057 0.000 1.003 342 N HN 0.357 nan 8.380 nan 0.000 0.424 343 A N 0.526 123.267 122.820 -0.132 0.000 1.902 343 A HA -0.143 4.177 4.320 -0.000 0.000 0.217 343 A C 1.672 179.110 177.584 -0.243 0.000 1.181 343 A CA 1.177 53.073 52.037 -0.234 0.000 0.623 343 A CB -0.833 17.945 19.000 -0.371 0.000 0.818 343 A HN 0.399 nan 8.150 nan 0.000 0.443 344 Y N -0.413 119.863 120.300 -0.040 0.000 2.420 344 Y HA -0.040 4.510 4.550 -0.000 0.000 0.292 344 Y C 2.441 178.306 175.900 -0.058 0.000 1.119 344 Y CA 0.998 59.068 58.100 -0.050 0.000 1.229 344 Y CB 0.060 38.490 38.460 -0.050 0.000 1.026 344 Y HN 0.210 nan 8.280 nan 0.000 0.554 345 K N 0.050 120.498 120.400 0.079 0.000 2.032 345 K HA -0.278 4.042 4.320 -0.000 0.000 0.209 345 K C 2.096 178.698 176.600 0.004 0.000 1.048 345 K CA 1.824 58.127 56.287 0.026 0.000 0.927 345 K CB -0.174 32.332 32.500 0.010 0.000 0.712 345 K HN 0.155 nan 8.250 nan 0.000 0.441 346 Q N 0.964 120.756 119.800 -0.013 0.000 2.119 346 Q HA -0.064 4.276 4.340 -0.000 0.000 0.201 346 Q C 1.784 177.772 176.000 -0.021 0.000 0.972 346 Q CA 1.871 57.658 55.803 -0.025 0.000 0.847 346 Q CB -0.332 28.382 28.738 -0.041 0.000 0.903 346 Q HN 0.275 nan 8.270 nan 0.000 0.433 347 A N -0.286 122.529 122.820 -0.008 0.000 1.908 347 A HA -0.162 4.158 4.320 -0.000 0.000 0.218 347 A C 2.299 179.885 177.584 0.003 0.000 1.181 347 A CA 1.854 53.901 52.037 0.016 0.000 0.627 347 A CB -0.960 18.093 19.000 0.088 0.000 0.818 347 A HN 0.277 nan 8.150 nan 0.000 0.445 348 V N -0.459 119.453 119.914 -0.004 0.000 2.343 348 V HA -0.232 3.888 4.120 -0.000 0.000 0.247 348 V C 2.569 178.626 176.094 -0.062 0.000 1.051 348 V CA 1.878 64.143 62.300 -0.058 0.000 1.036 348 V CB -0.789 30.988 31.823 -0.077 0.000 0.654 348 V HN 0.387 nan 8.190 nan 0.000 0.451 349 V N 1.163 121.053 119.914 -0.040 0.000 2.220 349 V HA -0.281 3.839 4.120 -0.000 0.000 0.246 349 V C 2.726 178.799 176.094 -0.034 0.000 1.049 349 V CA 2.603 64.881 62.300 -0.036 0.000 1.003 349 V CB -1.054 30.754 31.823 -0.026 0.000 0.634 349 V HN 0.772 nan 8.190 nan 0.000 0.444 350 S N 0.930 116.612 115.700 -0.029 0.000 2.399 350 S HA -0.153 4.317 4.470 -0.000 0.000 0.231 350 S C 2.036 176.618 174.600 -0.030 0.000 1.022 350 S CA 1.366 59.550 58.200 -0.026 0.000 0.983 350 S CB -0.598 62.589 63.200 -0.022 0.000 0.803 350 S HN 0.609 nan 8.310 nan 0.000 0.480 351 A N 1.512 124.308 122.820 -0.039 0.000 1.898 351 A HA -0.093 4.227 4.320 -0.000 0.000 0.216 351 A C 2.320 179.867 177.584 -0.062 0.000 1.181 351 A CA 1.741 53.747 52.037 -0.051 0.000 0.620 351 A CB -0.935 18.024 19.000 -0.070 0.000 0.819 351 A HN 0.538 nan 8.150 nan 0.000 0.442 352 Q N 0.523 120.280 119.800 -0.072 0.000 2.119 352 Q HA -0.124 4.216 4.340 -0.000 0.000 0.201 352 Q C 2.197 178.174 176.000 -0.039 0.000 0.972 352 Q CA 2.412 58.174 55.803 -0.069 0.000 0.847 352 Q CB -0.449 28.246 28.738 -0.071 0.000 0.903 352 Q HN 0.658 nan 8.270 nan 0.000 0.433 353 S N -1.475 114.206 115.700 -0.031 0.000 2.446 353 S HA -0.023 4.447 4.470 -0.000 0.000 0.225 353 S C 1.980 176.572 174.600 -0.013 0.000 1.016 353 S CA 1.036 59.225 58.200 -0.019 0.000 0.943 353 S CB -0.390 62.800 63.200 -0.018 0.000 0.786 353 S HN 0.388 nan 8.310 nan 0.000 0.508 354 S N 0.667 116.356 115.700 -0.017 0.000 2.414 354 S HA 0.045 4.515 4.470 -0.000 0.000 0.227 354 S C 1.772 176.367 174.600 -0.009 0.000 1.022 354 S CA 0.882 59.075 58.200 -0.012 0.000 0.958 354 S CB -0.598 62.594 63.200 -0.014 0.000 0.797 354 S HN 0.547 nan 8.310 nan 0.000 0.493 355 L N 2.114 123.328 121.223 -0.016 0.000 2.056 355 L HA -0.016 4.324 4.340 -0.000 0.000 0.207 355 L C 1.683 178.556 176.870 0.006 0.000 1.078 355 L CA 2.215 57.050 54.840 -0.008 0.000 0.749 355 L CB -0.852 41.196 42.059 -0.018 0.000 0.901 355 L HN 0.160 nan 8.230 nan 0.000 0.433 356 D N 0.216 120.618 120.400 0.003 0.000 2.144 356 D HA -0.171 4.469 4.640 -0.000 0.000 0.199 356 D C 2.182 178.494 176.300 0.020 0.000 0.984 356 D CA 1.484 55.492 54.000 0.013 0.000 0.834 356 D CB -0.188 40.616 40.800 0.007 0.000 0.955 356 D HN 0.549 nan 8.370 nan 0.000 0.465 357 A N 1.016 123.844 122.820 0.014 0.000 1.898 357 A HA -0.134 4.186 4.320 -0.000 0.000 0.216 357 A C 2.191 179.792 177.584 0.029 0.000 1.181 357 A CA 1.133 53.180 52.037 0.017 0.000 0.620 357 A CB -0.335 18.671 19.000 0.009 0.000 0.819 357 A HN 0.066 nan 8.150 nan 0.000 0.442 358 M N -0.730 118.885 119.600 0.025 0.000 2.117 358 M HA -0.142 4.338 4.480 -0.000 0.000 0.262 358 M C 1.934 178.278 176.300 0.074 0.000 1.065 358 M CA 1.698 57.018 55.300 0.033 0.000 1.114 358 M CB -1.392 31.211 32.600 0.006 0.000 1.361 358 M HN 0.555 nan 8.290 nan 0.000 0.408 359 E N 0.320 120.565 120.200 0.075 0.000 2.110 359 E HA -0.096 4.254 4.350 -0.000 0.000 0.193 359 E C 2.086 178.760 176.600 0.124 0.000 0.988 359 E CA 1.345 57.820 56.400 0.125 0.000 0.804 359 E CB 0.009 29.765 29.700 0.094 0.000 0.745 359 E HN 0.474 nan 8.360 nan 0.000 0.458 360 A N 0.432 123.296 122.820 0.073 0.000 1.865 360 A HA -0.136 4.184 4.320 -0.000 0.000 0.217 360 A C 2.415 180.036 177.584 0.061 0.000 1.191 360 A CA 1.850 53.917 52.037 0.051 0.000 0.623 360 A CB -1.318 17.701 19.000 0.031 0.000 0.826 360 A HN 0.424 nan 8.150 nan 0.000 0.444 361 G N -2.026 106.818 108.800 0.074 0.000 2.418 361 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.217 361 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.217 361 G C 1.570 176.552 174.900 0.138 0.000 1.158 361 G CA 1.124 46.273 45.100 0.081 0.000 0.771 361 G HN 0.648 nan 8.290 nan 0.000 0.545 362 Y N 2.279 122.582 120.300 0.005 0.000 2.151 362 Y HA -0.290 4.260 4.550 -0.000 0.000 0.284 362 Y C 3.103 179.007 175.900 0.006 0.000 1.166 362 Y CA 1.732 59.836 58.100 0.006 0.000 1.163 362 Y CB 0.088 38.553 38.460 0.007 0.000 0.974 362 Y HN 0.369 nan 8.280 nan 0.000 0.511 363 S N -0.513 115.160 115.700 -0.044 0.000 2.481 363 S HA -0.102 4.368 4.470 -0.000 0.000 0.231 363 S C 1.347 175.897 174.600 -0.083 0.000 0.996 363 S CA 0.776 58.882 58.200 -0.157 0.000 0.942 363 S CB -0.507 62.623 63.200 -0.117 0.000 0.768 363 S HN 0.414 nan 8.310 nan 0.000 0.520 364 V N -2.667 117.232 119.914 -0.024 0.000 3.483 364 V HA 0.707 4.827 4.120 -0.000 0.000 0.301 364 V C 1.381 177.478 176.094 0.005 0.000 1.389 364 V CA 0.045 62.338 62.300 -0.011 0.000 1.101 364 V CB -0.808 31.015 31.823 -0.001 0.000 0.971 364 V HN 0.679 nan 8.190 nan 0.000 0.434 365 G N 1.415 110.229 108.800 0.024 0.000 2.159 365 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.256 365 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.256 365 G C 0.779 175.714 174.900 0.058 0.000 0.977 365 G CA 1.011 46.140 45.100 0.048 0.000 0.652 365 G HN 1.210 nan 8.290 nan 0.000 0.531 366 T N -2.794 111.795 114.554 0.058 0.000 3.086 366 T HA 0.574 4.924 4.350 -0.000 0.000 0.250 366 T C 0.922 175.655 174.700 0.054 0.000 1.074 366 T CA 0.395 62.523 62.100 0.047 0.000 0.988 366 T CB 0.563 69.451 68.868 0.033 0.000 0.988 366 T HN 0.390 nan 8.240 nan 0.000 0.530 367 R N 0.990 121.540 120.500 0.084 0.000 2.764 367 R HA 0.563 4.903 4.340 -0.000 0.000 0.270 367 R C -0.471 175.893 176.300 0.106 0.000 1.014 367 R CA -0.383 55.758 56.100 0.069 0.000 0.904 367 R CB 1.402 31.736 30.300 0.056 0.000 1.236 367 R HN 0.426 nan 8.270 nan 0.000 0.466 368 T N -2.702 111.851 114.554 -0.001 0.000 2.938 368 T HA 0.331 4.681 4.350 -0.000 0.000 0.285 368 T C 1.381 175.808 174.700 -0.454 0.000 1.028 368 T CA -0.728 61.323 62.100 -0.081 0.000 1.005 368 T CB 1.036 69.872 68.868 -0.052 0.000 1.157 368 T HN 0.426 nan 8.240 nan 0.000 0.550 369 I N 0.855 120.988 120.570 -0.727 0.000 2.248 369 I HA -0.162 4.008 4.170 -0.000 0.000 0.248 369 I C 2.260 178.182 176.117 -0.324 0.000 1.107 369 I CA 1.438 62.307 61.300 -0.719 0.000 1.373 369 I CB -0.364 37.372 38.000 -0.441 0.000 1.055 369 I HN 0.625 nan 8.210 nan 0.000 0.418 370 V N 0.745 120.542 119.914 -0.195 0.000 2.295 370 V HA -0.309 3.811 4.120 -0.000 0.000 0.246 370 V C 2.119 178.157 176.094 -0.092 0.000 1.049 370 V CA 2.257 64.493 62.300 -0.107 0.000 1.024 370 V CB -0.965 30.820 31.823 -0.064 0.000 0.648 370 V HN 0.443 nan 8.190 nan 0.000 0.447 371 D N 0.077 120.417 120.400 -0.100 0.000 2.144 371 D HA -0.121 4.518 4.640 -0.000 0.000 0.199 371 D C 2.196 178.454 176.300 -0.070 0.000 0.984 371 D CA 1.269 55.229 54.000 -0.067 0.000 0.834 371 D CB -0.177 40.596 40.800 -0.045 0.000 0.955 371 D HN 0.373 nan 8.370 nan 0.000 0.465 372 V N 1.461 121.301 119.914 -0.123 0.000 2.261 372 V HA -0.222 3.898 4.120 -0.000 0.000 0.246 372 V C 2.699 178.763 176.094 -0.051 0.000 1.047 372 V CA 1.224 63.467 62.300 -0.095 0.000 1.015 372 V CB -0.529 31.199 31.823 -0.158 0.000 0.642 372 V HN 0.144 nan 8.190 nan 0.000 0.446 373 L N -0.168 121.017 121.223 -0.063 0.000 2.083 373 L HA -0.165 4.175 4.340 -0.000 0.000 0.209 373 L C 2.366 179.239 176.870 0.005 0.000 1.083 373 L CA 1.463 56.294 54.840 -0.015 0.000 0.752 373 L CB -0.866 41.181 42.059 -0.020 0.000 0.899 373 L HN 0.322 nan 8.230 nan 0.000 0.433 374 D N 0.519 120.913 120.400 -0.011 0.000 2.149 374 D HA -0.185 4.455 4.640 -0.000 0.000 0.198 374 D C 2.213 178.518 176.300 0.008 0.000 0.990 374 D CA 1.629 55.629 54.000 -0.000 0.000 0.839 374 D CB -0.036 40.758 40.800 -0.010 0.000 0.948 374 D HN 0.367 nan 8.370 nan 0.000 0.460 375 A N 0.173 122.993 122.820 0.001 0.000 2.016 375 A HA -0.069 4.251 4.320 -0.000 0.000 0.217 375 A C 2.324 179.913 177.584 0.008 0.000 1.162 375 A CA 1.430 53.466 52.037 -0.002 0.000 0.662 375 A CB -0.548 18.446 19.000 -0.009 0.000 0.812 375 A HN 0.162 nan 8.150 nan 0.000 0.450 376 T N -0.112 114.467 114.554 0.042 0.000 2.777 376 T HA -0.108 4.242 4.350 -0.000 0.000 0.266 376 T C 2.033 176.843 174.700 0.183 0.000 1.040 376 T CA 1.963 64.133 62.100 0.116 0.000 1.141 376 T CB -0.434 68.519 68.868 0.142 0.000 0.868 376 T HN 0.533 nan 8.240 nan 0.000 0.444 377 T N 1.933 116.558 114.554 0.118 0.000 2.674 377 T HA -0.124 4.226 4.350 -0.000 0.000 0.265 377 T C 2.308 177.047 174.700 0.066 0.000 1.039 377 T CA 1.759 63.922 62.100 0.105 0.000 1.150 377 T CB -0.850 68.052 68.868 0.056 0.000 0.864 377 T HN 0.399 nan 8.240 nan 0.000 0.427 378 T N 2.696 117.265 114.554 0.025 0.000 2.653 378 T HA -0.157 4.193 4.350 -0.000 0.000 0.268 378 T C 1.892 176.566 174.700 -0.043 0.000 1.035 378 T CA 1.408 63.506 62.100 -0.002 0.000 1.154 378 T CB -0.628 68.236 68.868 -0.008 0.000 0.862 378 T HN 0.156 nan 8.240 nan 0.000 0.441 379 L N 0.018 121.188 121.223 -0.089 0.000 1.989 379 L HA -0.096 4.244 4.340 -0.000 0.000 0.211 379 L C 2.193 178.848 176.870 -0.360 0.000 1.071 379 L CA 1.807 56.505 54.840 -0.237 0.000 0.749 379 L CB -0.872 40.992 42.059 -0.325 0.000 0.890 379 L HN 0.243 nan 8.230 nan 0.000 0.431 380 Y N 0.299 120.531 120.300 -0.114 0.000 2.224 380 Y HA -0.186 4.364 4.550 -0.000 0.000 0.289 380 Y C 2.477 178.265 175.900 -0.187 0.000 1.146 380 Y CA 1.860 59.856 58.100 -0.172 0.000 1.182 380 Y CB -0.952 37.454 38.460 -0.090 0.000 0.983 380 Y HN 0.404 nan 8.280 nan 0.000 0.524 381 N N -0.275 118.431 118.700 0.011 0.000 2.061 381 N HA -0.246 4.494 4.740 -0.000 0.000 0.193 381 N C 2.007 177.429 175.510 -0.147 0.000 1.030 381 N CA 0.986 54.008 53.050 -0.045 0.000 0.856 381 N CB -0.318 38.160 38.487 -0.016 0.000 1.023 381 N HN 0.357 nan 8.380 nan 0.000 0.424 382 A N 1.312 124.044 122.820 -0.147 0.000 1.972 382 A HA -0.139 4.181 4.320 -0.000 0.000 0.219 382 A C 2.039 179.456 177.584 -0.278 0.000 1.169 382 A CA 1.289 53.219 52.037 -0.178 0.000 0.635 382 A CB -0.229 18.760 19.000 -0.019 0.000 0.810 382 A HN 0.198 nan 8.150 nan 0.000 0.446 383 K N -0.900 119.293 120.400 -0.345 0.000 2.057 383 K HA -0.130 4.190 4.320 -0.000 0.000 0.206 383 K C 2.383 178.713 176.600 -0.450 0.000 1.050 383 K CA 1.443 57.436 56.287 -0.490 0.000 0.935 383 K CB -0.151 31.834 32.500 -0.858 0.000 0.715 383 K HN 0.597 nan 8.250 nan 0.000 0.439 384 Q N 0.671 120.247 119.800 -0.373 0.000 2.050 384 Q HA -0.184 4.156 4.340 -0.000 0.000 0.202 384 Q C 1.869 177.805 176.000 -0.108 0.000 0.980 384 Q CA 1.403 57.186 55.803 -0.033 0.000 0.840 384 Q CB 0.192 28.940 28.738 0.016 0.000 0.898 384 Q HN 0.235 nan 8.270 nan 0.000 0.424 385 E N 0.289 120.294 120.200 -0.325 0.000 2.160 385 E HA -0.209 4.141 4.350 -0.000 0.000 0.195 385 E C 2.033 178.324 176.600 -0.515 0.000 0.991 385 E CA 0.789 56.835 56.400 -0.590 0.000 0.810 385 E CB -0.170 28.771 29.700 -1.264 0.000 0.742 385 E HN 0.274 nan 8.360 nan 0.000 0.466 386 L N 0.903 121.912 121.223 -0.357 0.000 2.044 386 L HA -0.021 4.319 4.340 -0.000 0.000 0.205 386 L C 2.290 179.089 176.870 -0.118 0.000 1.075 386 L CA 2.005 56.769 54.840 -0.127 0.000 0.747 386 L CB -0.721 41.303 42.059 -0.057 0.000 0.903 386 L HN 0.010 nan 8.230 nan 0.000 0.435 387 A N -0.235 122.546 122.820 -0.064 0.000 1.908 387 A HA -0.314 4.006 4.320 -0.000 0.000 0.218 387 A C 2.309 179.818 177.584 -0.125 0.000 1.181 387 A CA 2.112 54.096 52.037 -0.088 0.000 0.627 387 A CB -1.208 17.911 19.000 0.198 0.000 0.818 387 A HN 0.724 nan 8.150 nan 0.000 0.445 388 N N 0.129 118.849 118.700 0.034 0.000 2.223 388 N HA -0.101 4.639 4.740 -0.000 0.000 0.185 388 N C 1.799 177.349 175.510 0.067 0.000 1.016 388 N CA 1.167 54.293 53.050 0.127 0.000 0.863 388 N CB -0.172 38.356 38.487 0.070 0.000 0.983 388 N HN 0.399 nan 8.380 nan 0.000 0.429 389 A N 1.180 124.000 122.820 -0.001 0.000 2.014 389 A HA -0.010 4.310 4.320 -0.000 0.000 0.218 389 A C 2.259 179.856 177.584 0.022 0.000 1.163 389 A CA 0.500 52.565 52.037 0.047 0.000 0.652 389 A CB -0.224 18.837 19.000 0.102 0.000 0.808 389 A HN 0.281 nan 8.150 nan 0.000 0.449 390 R N -1.627 118.771 120.500 -0.171 0.000 2.062 390 R HA -0.076 4.264 4.340 -0.000 0.000 0.229 390 R C 1.952 178.131 176.300 -0.202 0.000 1.128 390 R CA 1.619 57.532 56.100 -0.312 0.000 0.960 390 R CB -0.472 29.293 30.300 -0.892 0.000 0.855 390 R HN 0.723 nan 8.270 nan 0.000 0.432 391 Y N 0.962 121.208 120.300 -0.089 0.000 2.145 391 Y HA -0.214 4.336 4.550 -0.000 0.000 0.286 391 Y C 2.197 178.043 175.900 -0.090 0.000 1.145 391 Y CA 1.279 59.297 58.100 -0.138 0.000 1.148 391 Y CB -0.395 38.031 38.460 -0.056 0.000 0.981 391 Y HN 0.210 nan 8.280 nan 0.000 0.507 392 N N -0.681 118.106 118.700 0.145 0.000 2.061 392 N HA -0.299 4.441 4.740 -0.000 0.000 0.193 392 N C 1.743 177.304 175.510 0.085 0.000 1.030 392 N CA 1.406 54.516 53.050 0.100 0.000 0.856 392 N CB -0.435 38.113 38.487 0.102 0.000 1.023 392 N HN 0.324 nan 8.380 nan 0.000 0.424 393 Y N 1.909 122.216 120.300 0.011 0.000 2.081 393 Y HA -0.198 4.352 4.550 -0.000 0.000 0.280 393 Y C 1.981 177.871 175.900 -0.016 0.000 1.163 393 Y CA 1.494 59.605 58.100 0.018 0.000 1.135 393 Y CB -0.450 38.064 38.460 0.090 0.000 0.970 393 Y HN 0.026 nan 8.280 nan 0.000 0.498 394 L N -0.278 120.819 121.223 -0.211 0.000 2.141 394 L HA -0.203 4.137 4.340 -0.000 0.000 0.209 394 L C 2.411 179.117 176.870 -0.272 0.000 1.094 394 L CA 0.800 55.422 54.840 -0.363 0.000 0.763 394 L CB -0.465 41.310 42.059 -0.472 0.000 0.908 394 L HN 0.344 nan 8.230 nan 0.000 0.437 395 I N -0.082 120.388 120.570 -0.168 0.000 2.394 395 I HA -0.238 3.932 4.170 -0.000 0.000 0.251 395 I C 1.993 178.075 176.117 -0.058 0.000 1.136 395 I CA 1.200 62.470 61.300 -0.051 0.000 1.425 395 I CB -0.599 37.411 38.000 0.017 0.000 1.079 395 I HN 0.406 nan 8.210 nan 0.000 0.425 396 N N 0.511 119.153 118.700 -0.096 0.000 2.354 396 N HA -0.111 4.629 4.740 -0.000 0.000 0.179 396 N C 1.811 177.244 175.510 -0.129 0.000 1.021 396 N CA 0.679 53.677 53.050 -0.087 0.000 0.887 396 N CB 0.063 38.511 38.487 -0.065 0.000 0.974 396 N HN 0.420 nan 8.380 nan 0.000 0.437 397 Q N 0.602 120.261 119.800 -0.234 0.000 2.050 397 Q HA -0.082 4.258 4.340 -0.000 0.000 0.202 397 Q C 1.974 177.910 176.000 -0.106 0.000 0.980 397 Q CA 0.741 56.419 55.803 -0.209 0.000 0.840 397 Q CB -0.327 28.232 28.738 -0.299 0.000 0.898 397 Q HN 0.246 nan 8.270 nan 0.000 0.424 398 L N 1.399 122.573 121.223 -0.082 0.000 2.012 398 L HA -0.197 4.143 4.340 -0.000 0.000 0.210 398 L C 1.791 178.647 176.870 -0.024 0.000 1.073 398 L CA 1.780 56.600 54.840 -0.034 0.000 0.748 398 L CB -1.377 40.687 42.059 0.009 0.000 0.891 398 L HN 0.316 nan 8.230 nan 0.000 0.431 399 N N -0.941 117.747 118.700 -0.020 0.000 2.309 399 N HA -0.155 4.585 4.740 -0.000 0.000 0.182 399 N C 1.926 177.431 175.510 -0.008 0.000 1.018 399 N CA 0.689 53.735 53.050 -0.008 0.000 0.876 399 N CB 0.052 38.539 38.487 -0.000 0.000 0.972 399 N HN 0.293 nan 8.380 nan 0.000 0.434 400 I N 0.637 121.199 120.570 -0.014 0.000 2.480 400 I HA -0.121 4.049 4.170 -0.000 0.000 0.251 400 I C 1.896 178.009 176.117 -0.008 0.000 1.124 400 I CA 0.884 62.183 61.300 -0.002 0.000 1.444 400 I CB 0.227 38.233 38.000 0.011 0.000 1.098 400 I HN -0.100 nan 8.210 nan 0.000 0.428 401 K N 0.334 120.722 120.400 -0.019 0.000 2.057 401 K HA -0.111 4.209 4.320 -0.000 0.000 0.207 401 K C 2.304 178.894 176.600 -0.017 0.000 1.049 401 K CA 1.350 57.624 56.287 -0.020 0.000 0.931 401 K CB -0.767 31.714 32.500 -0.031 0.000 0.714 401 K HN 0.220 nan 8.250 nan 0.000 0.440 402 S N 0.246 115.936 115.700 -0.017 0.000 2.353 402 S HA -0.154 4.316 4.470 -0.000 0.000 0.222 402 S C 1.912 176.508 174.600 -0.007 0.000 1.035 402 S CA 1.562 59.754 58.200 -0.012 0.000 1.025 402 S CB -0.270 62.924 63.200 -0.009 0.000 0.902 402 S HN 0.376 nan 8.310 nan 0.000 0.440 403 A N 1.055 123.872 122.820 -0.005 0.000 2.067 403 A HA 0.116 4.436 4.320 -0.000 0.000 0.219 403 A C 2.126 179.707 177.584 -0.005 0.000 1.158 403 A CA 0.911 52.945 52.037 -0.005 0.000 0.661 403 A CB -0.553 18.445 19.000 -0.004 0.000 0.801 403 A HN 0.575 nan 8.150 nan 0.000 0.452 404 L N -1.831 119.389 121.223 -0.005 0.000 2.141 404 L HA -0.027 4.313 4.340 -0.000 0.000 0.209 404 L C 2.119 178.988 176.870 -0.002 0.000 1.094 404 L CA 1.372 56.209 54.840 -0.005 0.000 0.763 404 L CB -0.510 41.545 42.059 -0.006 0.000 0.908 404 L HN 0.628 nan 8.230 nan 0.000 0.437 405 G N -0.654 108.144 108.800 -0.004 0.000 2.213 405 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.226 405 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.226 405 G C 0.783 175.680 174.900 -0.005 0.000 0.992 405 G CA 0.469 45.569 45.100 -0.001 0.000 0.632 405 G HN 0.344 nan 8.290 nan 0.000 0.511 406 T N -0.739 113.810 114.554 -0.009 0.000 3.214 406 T HA 0.593 4.943 4.350 -0.000 0.000 0.264 406 T C 0.804 175.490 174.700 -0.023 0.000 1.012 406 T CA -0.232 61.861 62.100 -0.012 0.000 0.901 406 T CB 0.542 69.404 68.868 -0.009 0.000 1.070 406 T HN 0.501 nan 8.240 nan 0.000 0.561 407 L N 3.786 124.991 121.223 -0.029 0.000 2.433 407 L HA 0.345 4.685 4.340 -0.000 0.000 0.275 407 L C -0.344 176.490 176.870 -0.060 0.000 1.128 407 L CA 0.041 54.853 54.840 -0.046 0.000 0.875 407 L CB -0.091 41.940 42.059 -0.046 0.000 1.171 407 L HN 0.588 nan 8.230 nan 0.000 0.463 408 N N 1.796 120.451 118.700 -0.074 0.000 3.343 408 N HA 0.233 4.973 4.740 -0.000 0.000 0.330 408 N C 0.146 175.576 175.510 -0.133 0.000 1.560 408 N CA -0.831 52.170 53.050 -0.083 0.000 0.752 408 N CB 0.429 38.890 38.487 -0.043 0.000 1.863 408 N HN 0.364 nan 8.380 nan 0.000 0.636 409 E N -0.935 119.200 120.200 -0.109 0.000 2.268 409 E HA -0.165 4.185 4.350 -0.000 0.000 0.195 409 E C 0.702 177.248 176.600 -0.089 0.000 0.995 409 E CA 0.934 57.259 56.400 -0.125 0.000 0.836 409 E CB -0.130 29.558 29.700 -0.021 0.000 0.763 409 E HN 0.455 nan 8.360 nan 0.000 0.491 410 Q N 0.975 120.739 119.800 -0.059 0.000 2.172 410 Q HA -0.087 4.253 4.340 -0.000 0.000 0.200 410 Q C 1.502 177.472 176.000 -0.051 0.000 0.964 410 Q CA 1.030 56.808 55.803 -0.042 0.000 0.855 410 Q CB -0.114 28.608 28.738 -0.026 0.000 0.918 410 Q HN 0.231 nan 8.270 nan 0.000 0.444 411 D N -0.397 119.963 120.400 -0.065 0.000 2.144 411 D HA -0.122 4.518 4.640 -0.000 0.000 0.200 411 D C 1.669 177.925 176.300 -0.074 0.000 0.978 411 D CA 0.584 54.547 54.000 -0.063 0.000 0.833 411 D CB -0.002 40.756 40.800 -0.071 0.000 0.961 411 D HN 0.163 nan 8.370 nan 0.000 0.470 412 L N 0.559 121.708 121.223 -0.124 0.000 2.313 412 L HA -0.007 4.333 4.340 -0.000 0.000 0.214 412 L C 1.948 178.754 176.870 -0.107 0.000 1.119 412 L CA 0.593 55.339 54.840 -0.156 0.000 0.809 412 L CB 0.023 41.898 42.059 -0.305 0.000 0.933 412 L HN 0.051 nan 8.230 nan 0.000 0.449 413 L N -0.879 120.298 121.223 -0.076 0.000 2.072 413 L HA -0.074 4.266 4.340 -0.000 0.000 0.205 413 L C 2.461 179.318 176.870 -0.022 0.000 1.079 413 L CA 1.764 56.577 54.840 -0.045 0.000 0.752 413 L CB -0.899 41.141 42.059 -0.032 0.000 0.906 413 L HN 0.336 nan 8.230 nan 0.000 0.436 414 A N 0.504 123.314 122.820 -0.017 0.000 1.873 414 A HA -0.255 4.065 4.320 -0.000 0.000 0.218 414 A C 2.269 179.872 177.584 0.031 0.000 1.193 414 A CA 1.980 54.020 52.037 0.004 0.000 0.629 414 A CB -0.931 18.067 19.000 -0.002 0.000 0.826 414 A HN 0.487 nan 8.150 nan 0.000 0.447 415 L N -0.673 120.575 121.223 0.041 0.000 2.079 415 L HA -0.228 4.112 4.340 -0.000 0.000 0.210 415 L C 2.445 179.381 176.870 0.110 0.000 1.081 415 L CA 1.738 56.647 54.840 0.115 0.000 0.752 415 L CB -0.451 41.702 42.059 0.157 0.000 0.896 415 L HN 0.544 nan 8.230 nan 0.000 0.433 416 N N 0.084 118.796 118.700 0.020 0.000 2.381 416 N HA -0.160 4.580 4.740 -0.000 0.000 0.182 416 N C 1.327 176.854 175.510 0.029 0.000 1.025 416 N CA 1.015 54.059 53.050 -0.010 0.000 0.888 416 N CB -0.074 38.373 38.487 -0.067 0.000 0.965 416 N HN 0.324 nan 8.380 nan 0.000 0.438 417 N N -0.878 117.845 118.700 0.037 0.000 2.521 417 N HA 0.058 4.798 4.740 -0.000 0.000 0.188 417 N C 0.539 176.091 175.510 0.070 0.000 1.146 417 N CA 0.394 53.470 53.050 0.043 0.000 0.893 417 N CB 0.177 38.681 38.487 0.029 0.000 0.975 417 N HN 0.220 nan 8.380 nan 0.000 0.451 418 A N 0.205 123.089 122.820 0.107 0.000 2.387 418 A HA 0.262 4.582 4.320 -0.000 0.000 0.234 418 A C 0.337 178.028 177.584 0.178 0.000 1.253 418 A CA -0.128 52.001 52.037 0.152 0.000 0.894 418 A CB 0.208 19.327 19.000 0.198 0.000 0.963 418 A HN 0.082 nan 8.150 nan 0.000 0.508 419 L N -0.483 120.826 121.223 0.143 0.000 2.332 419 L HA 0.613 4.953 4.340 -0.000 0.000 0.269 419 L C 0.934 177.861 176.870 0.095 0.000 1.016 419 L CA -0.125 54.800 54.840 0.141 0.000 0.809 419 L CB 1.996 44.137 42.059 0.138 0.000 1.280 419 L HN 0.411 nan 8.230 nan 0.000 0.447 420 S N -0.184 115.568 115.700 0.087 0.000 4.340 420 S HA 0.244 4.714 4.470 -0.000 0.000 0.177 420 S C -0.668 173.962 174.600 0.050 0.000 1.243 420 S CA -0.765 57.471 58.200 0.061 0.000 1.127 420 S CB 0.169 63.403 63.200 0.057 0.000 2.035 420 S HN 0.535 nan 8.310 nan 0.000 0.741 421 K N 3.590 124.016 120.400 0.043 0.000 2.355 421 K HA 0.502 4.822 4.320 -0.000 0.000 0.270 421 K C -2.698 173.918 176.600 0.027 0.000 1.003 421 K CA -1.389 54.917 56.287 0.031 0.000 0.957 421 K CB -0.584 31.932 32.500 0.026 0.000 0.939 421 K HN 0.252 nan 8.250 nan 0.000 0.482 422 P HA 0.017 nan 4.420 nan 0.000 0.271 422 P C -0.781 176.517 177.300 -0.002 0.000 1.216 422 P CA -0.338 62.767 63.100 0.009 0.000 0.776 422 P CB 0.906 32.612 31.700 0.010 0.000 0.881 423 V N 1.596 121.498 119.914 -0.019 0.000 2.888 423 V HA 0.291 4.411 4.120 -0.000 0.000 0.309 423 V C 0.222 176.286 176.094 -0.048 0.000 1.114 423 V CA -0.694 61.587 62.300 -0.032 0.000 0.940 423 V CB 2.132 33.933 31.823 -0.037 0.000 1.021 423 V HN 0.697 nan 8.190 nan 0.000 0.426 424 S N 1.778 117.453 115.700 -0.042 0.000 2.545 424 S HA 0.227 4.697 4.470 -0.000 0.000 0.275 424 S C 1.144 175.708 174.600 -0.060 0.000 1.299 424 S CA 0.396 58.571 58.200 -0.041 0.000 1.048 424 S CB 1.343 64.531 63.200 -0.019 0.000 0.938 424 S HN 1.162 nan 8.310 nan 0.000 0.496 425 T N 0.896 115.407 114.554 -0.071 0.000 3.107 425 T HA 0.214 4.564 4.350 -0.000 0.000 0.249 425 T C 0.453 175.138 174.700 -0.024 0.000 1.096 425 T CA -0.061 61.991 62.100 -0.080 0.000 1.012 425 T CB -0.531 68.254 68.868 -0.139 0.000 0.977 425 T HN 0.657 nan 8.240 nan 0.000 0.527 426 N N 1.980 120.683 118.700 0.005 0.000 2.716 426 N HA 0.254 4.994 4.740 -0.000 0.000 0.245 426 N C -2.913 172.606 175.510 0.015 0.000 1.495 426 N CA -0.923 52.147 53.050 0.032 0.000 0.759 426 N CB 1.619 40.162 38.487 0.094 0.000 1.261 426 N HN 0.267 nan 8.380 nan 0.000 0.515 427 P HA 0.373 nan 4.420 nan 0.000 0.302 427 P C -0.512 176.782 177.300 -0.010 0.000 1.307 427 P CA -0.124 62.970 63.100 -0.010 0.000 0.754 427 P CB 1.684 33.370 31.700 -0.023 0.000 1.298 428 E N 0.000 120.192 120.200 -0.013 0.000 2.725 428 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 428 E CA 0.000 56.389 56.400 -0.019 0.000 0.976 428 E CB 0.000 29.690 29.700 -0.017 0.000 0.812 428 E HN 0.000 nan 8.360 nan 0.000 0.440