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 2xfp_1_B DATA FIRST_RESID 3 DATA SEQUENCE NKCDVVVVGG GISGMAAAKL LHDSGLNVVV LEARDRVGGR TYTLRNQKVK DATA SEQUENCE YVDLGGSYVG PTQNRILRLA KELGLETYKV NEVERLIHHV KGKSYPFRGP DATA SEQUENCE FPPVWNPITY LDHNNFWRTM DDMGREIPSD APWKAPLAEE WDNMTMKELL DATA SEQUENCE DKLCWTESAK QLATLFVNLC VTAETHEVSA LWFLWYVKQC GGTTRIISTT DATA SEQUENCE NGGQERKFVG GSGQVSERIM DLLGDRVKLE RPVIYIDQTR ENVLVETLNH DATA SEQUENCE EMYEAKYVIS AIPPTLGMKI HFNPPLPMMR NQMITRVPLG SVIKCIVYYK DATA SEQUENCE EPFWRKKDYC GTMIIDGEEA PVAYTLDDTK PEGNYAAIMG FILAHKARKL DATA SEQUENCE ARLTKEERLK KLCELYAKVL GSLEALEPVH YEEKNWCEEQ YSGGCYTTYF DATA SEQUENCE PPGILTQYGR VLRQPVDRIY FAGTETATHW SGYMEGAVEA GERAAREILH DATA SEQUENCE AMGKIPEDEI WQSEPESVDV PAQPITTTFL ERHLPSVPGL LRLI 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 3 N HA 0.000 nan 4.740 nan 0.000 0.220 3 N C 0.000 175.497 175.510 -0.022 0.000 1.280 3 N CA 0.000 52.931 53.050 -0.199 0.000 0.885 3 N CB 0.000 38.409 38.487 -0.129 0.000 1.341 4 K N 0.809 121.216 120.400 0.011 0.000 2.159 4 K HA 0.650 4.970 4.320 -0.000 0.000 0.266 4 K C -0.394 176.241 176.600 0.059 0.000 0.975 4 K CA -0.540 55.767 56.287 0.034 0.000 0.865 4 K CB 1.899 34.405 32.500 0.011 0.000 1.087 4 K HN 0.675 nan 8.250 nan 0.000 0.446 5 C N -1.136 118.203 119.300 0.066 0.000 3.336 5 C HA 0.388 4.848 4.460 -0.000 0.000 0.339 5 C C 0.680 175.703 174.990 0.054 0.000 1.468 5 C CA -0.761 58.297 59.018 0.066 0.000 1.287 5 C CB 0.928 28.722 27.740 0.089 0.000 1.682 5 C HN 0.815 nan 8.230 nan 0.000 0.451 6 D N 0.263 120.698 120.400 0.058 0.000 2.120 6 D HA 0.141 4.781 4.640 -0.000 0.000 0.202 6 D C 0.362 176.723 176.300 0.101 0.000 0.972 6 D CA 1.693 55.736 54.000 0.072 0.000 0.837 6 D CB 0.250 41.093 40.800 0.072 0.000 0.989 6 D HN 0.493 nan 8.370 nan 0.000 0.469 7 V N 1.065 121.031 119.914 0.087 0.000 2.808 7 V HA 0.262 4.382 4.120 -0.000 0.000 0.308 7 V C -0.321 175.804 176.094 0.052 0.000 1.099 7 V CA -0.851 61.504 62.300 0.093 0.000 0.920 7 V CB 2.973 34.842 31.823 0.077 0.000 1.014 7 V HN -0.257 nan 8.190 nan 0.000 0.425 8 V N 4.861 124.800 119.914 0.042 0.000 2.394 8 V HA 0.468 4.588 4.120 -0.000 0.000 0.282 8 V C -0.186 175.899 176.094 -0.014 0.000 1.031 8 V CA -0.470 61.825 62.300 -0.009 0.000 0.881 8 V CB 1.948 33.762 31.823 -0.015 0.000 0.982 8 V HN 0.628 nan 8.190 nan 0.000 0.451 9 V N 6.151 126.042 119.914 -0.039 0.000 2.370 9 V HA 0.355 4.475 4.120 -0.000 0.000 0.283 9 V C -0.050 176.015 176.094 -0.049 0.000 1.023 9 V CA -0.564 61.718 62.300 -0.030 0.000 0.857 9 V CB 1.850 33.659 31.823 -0.024 0.000 0.985 9 V HN 0.601 nan 8.190 nan 0.000 0.443 10 V N 4.608 124.506 119.914 -0.026 0.000 2.368 10 V HA 0.817 4.937 4.120 -0.000 0.000 0.266 10 V C 0.650 176.743 176.094 -0.003 0.000 1.045 10 V CA 0.412 62.695 62.300 -0.028 0.000 0.899 10 V CB 0.512 32.336 31.823 0.002 0.000 1.006 10 V HN 1.269 nan 8.190 nan 0.000 0.470 11 G N 3.658 112.443 108.800 -0.026 0.000 3.225 11 G HA2 0.194 4.154 3.960 -0.000 0.000 0.686 11 G HA3 0.194 4.154 3.960 -0.000 0.000 0.686 11 G C 0.069 174.964 174.900 -0.007 0.000 1.105 11 G CA -0.491 44.606 45.100 -0.004 0.000 0.831 11 G HN 1.245 nan 8.290 nan 0.000 0.578 12 G N 0.841 109.636 108.800 -0.010 0.000 4.291 12 G HA2 0.690 4.650 3.960 -0.000 0.000 0.304 12 G HA3 0.690 4.650 3.960 -0.000 0.000 0.304 12 G C 0.886 175.797 174.900 0.018 0.000 1.264 12 G CA 0.933 46.028 45.100 -0.007 0.000 1.039 12 G HN 1.310 nan 8.290 nan 0.000 0.578 13 G N -0.062 108.761 108.800 0.038 0.000 2.553 13 G HA2 0.327 4.287 3.960 -0.000 0.000 0.278 13 G HA3 0.327 4.287 3.960 -0.000 0.000 0.278 13 G C 1.184 176.107 174.900 0.037 0.000 1.349 13 G CA -0.724 44.407 45.100 0.052 0.000 1.037 13 G HN 0.149 nan 8.290 nan 0.000 0.508 14 I N -0.597 119.997 120.570 0.041 0.000 2.286 14 I HA -0.193 3.977 4.170 -0.000 0.000 0.248 14 I C 2.981 179.119 176.117 0.034 0.000 1.115 14 I CA 1.503 62.820 61.300 0.027 0.000 1.392 14 I CB -0.049 37.970 38.000 0.031 0.000 1.065 14 I HN 0.458 nan 8.210 nan 0.000 0.418 15 S N 0.490 116.223 115.700 0.055 0.000 2.357 15 S HA -0.090 4.380 4.470 -0.000 0.000 0.221 15 S C 2.118 176.742 174.600 0.040 0.000 1.031 15 S CA 1.449 59.685 58.200 0.059 0.000 0.982 15 S CB -0.514 62.741 63.200 0.092 0.000 0.853 15 S HN 0.555 nan 8.310 nan 0.000 0.458 16 G N 1.666 110.488 108.800 0.037 0.000 2.418 16 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.217 16 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.217 16 G C 1.464 176.364 174.900 -0.000 0.000 1.158 16 G CA 0.964 46.075 45.100 0.018 0.000 0.771 16 G HN 0.392 nan 8.290 nan 0.000 0.545 17 M N 1.169 120.767 119.600 -0.003 0.000 2.099 17 M HA 0.067 4.547 4.480 -0.000 0.000 0.262 17 M C 3.033 179.322 176.300 -0.019 0.000 1.067 17 M CA 1.329 56.617 55.300 -0.020 0.000 1.124 17 M CB -1.323 31.262 32.600 -0.024 0.000 1.353 17 M HN 0.312 nan 8.290 nan 0.000 0.410 18 A N 0.230 123.045 122.820 -0.008 0.000 1.933 18 A HA 0.015 4.335 4.320 -0.000 0.000 0.218 18 A C 2.446 180.025 177.584 -0.008 0.000 1.175 18 A CA 2.070 54.102 52.037 -0.008 0.000 0.628 18 A CB -0.873 18.129 19.000 0.003 0.000 0.814 18 A HN 0.477 nan 8.150 nan 0.000 0.444 19 A N -0.114 122.702 122.820 -0.007 0.000 1.877 19 A HA 0.166 4.486 4.320 -0.000 0.000 0.216 19 A C 2.510 180.087 177.584 -0.012 0.000 1.186 19 A CA 2.102 54.129 52.037 -0.016 0.000 0.620 19 A CB -1.017 17.974 19.000 -0.015 0.000 0.822 19 A HN 1.042 nan 8.150 nan 0.000 0.443 20 A N -0.360 122.455 122.820 -0.009 0.000 1.930 20 A HA -0.135 4.185 4.320 -0.000 0.000 0.217 20 A C 2.136 179.731 177.584 0.019 0.000 1.175 20 A CA 1.928 53.964 52.037 -0.002 0.000 0.627 20 A CB -0.426 18.561 19.000 -0.021 0.000 0.815 20 A HN 0.557 nan 8.150 nan 0.000 0.443 21 K N -0.409 119.991 120.400 0.000 0.000 2.057 21 K HA -0.065 4.255 4.320 -0.000 0.000 0.206 21 K C 1.965 178.603 176.600 0.063 0.000 1.050 21 K CA 1.363 57.662 56.287 0.020 0.000 0.935 21 K CB -0.281 32.214 32.500 -0.008 0.000 0.715 21 K HN 0.455 nan 8.250 nan 0.000 0.439 22 L N 1.095 122.332 121.223 0.024 0.000 2.017 22 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 22 L C 2.145 179.022 176.870 0.012 0.000 1.073 22 L CA 1.164 56.010 54.840 0.010 0.000 0.745 22 L CB -0.132 41.917 42.059 -0.018 0.000 0.894 22 L HN 0.241 nan 8.230 nan 0.000 0.432 23 L N -1.097 120.134 121.223 0.014 0.000 2.027 23 L HA -0.265 4.075 4.340 -0.000 0.000 0.206 23 L C 2.611 179.505 176.870 0.039 0.000 1.074 23 L CA 1.562 56.406 54.840 0.007 0.000 0.745 23 L CB -0.837 41.224 42.059 0.003 0.000 0.898 23 L HN 0.409 nan 8.230 nan 0.000 0.433 24 H N 0.264 119.322 119.070 -0.021 0.000 2.352 24 H HA -0.220 4.336 4.556 -0.000 0.000 0.299 24 H C 1.785 177.104 175.328 -0.014 0.000 1.097 24 H CA 2.137 58.176 56.048 -0.015 0.000 1.311 24 H CB 0.021 29.774 29.762 -0.014 0.000 1.377 24 H HN 0.236 nan 8.280 nan 0.000 0.504 25 D N -0.747 119.673 120.400 0.033 0.000 2.219 25 D HA -0.121 4.519 4.640 -0.000 0.000 0.205 25 D C 2.079 178.334 176.300 -0.074 0.000 0.970 25 D CA 1.344 55.326 54.000 -0.031 0.000 0.851 25 D CB -0.354 40.468 40.800 0.037 0.000 0.943 25 D HN 0.533 nan 8.370 nan 0.000 0.488 26 S N -1.053 114.612 115.700 -0.058 0.000 2.593 26 S HA 0.274 4.744 4.470 -0.000 0.000 0.217 26 S C 1.587 176.144 174.600 -0.072 0.000 0.966 26 S CA 0.661 58.828 58.200 -0.054 0.000 0.914 26 S CB 0.315 63.490 63.200 -0.041 0.000 0.776 26 S HN 0.267 nan 8.310 nan 0.000 0.523 27 G N 0.613 109.343 108.800 -0.118 0.000 2.157 27 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.239 27 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.239 27 G C -0.102 174.751 174.900 -0.078 0.000 0.982 27 G CA 0.141 45.169 45.100 -0.120 0.000 0.650 27 G HN 0.530 nan 8.290 nan 0.000 0.527 28 L N 0.359 121.552 121.223 -0.050 0.000 2.439 28 L HA 0.414 4.754 4.340 -0.000 0.000 0.261 28 L C 0.275 177.152 176.870 0.012 0.000 1.153 28 L CA -1.040 53.795 54.840 -0.010 0.000 0.808 28 L CB 0.498 42.561 42.059 0.008 0.000 1.126 28 L HN -0.009 nan 8.230 nan 0.000 0.460 29 N N 1.792 120.512 118.700 0.032 0.000 2.406 29 N HA 0.273 5.013 4.740 -0.000 0.000 0.251 29 N C -0.660 174.891 175.510 0.067 0.000 1.069 29 N CA -0.094 52.989 53.050 0.056 0.000 0.947 29 N CB 1.485 40.001 38.487 0.048 0.000 1.111 29 N HN 0.372 nan 8.380 nan 0.000 0.497 30 V N 0.263 120.227 119.914 0.083 0.000 2.815 30 V HA 0.751 4.871 4.120 -0.000 0.000 0.314 30 V C -0.071 176.046 176.094 0.039 0.000 1.064 30 V CA -0.710 61.625 62.300 0.058 0.000 0.952 30 V CB 1.986 33.842 31.823 0.056 0.000 1.020 30 V HN 0.156 nan 8.190 nan 0.000 0.439 31 V N 3.435 123.353 119.914 0.007 0.000 2.709 31 V HA 0.553 4.673 4.120 -0.000 0.000 0.308 31 V C -0.398 175.643 176.094 -0.089 0.000 1.062 31 V CA -0.540 61.738 62.300 -0.036 0.000 0.901 31 V CB 2.187 33.977 31.823 -0.055 0.000 1.003 31 V HN 0.850 nan 8.190 nan 0.000 0.425 32 V N 5.869 125.721 119.914 -0.102 0.000 2.370 32 V HA 0.466 4.586 4.120 -0.000 0.000 0.283 32 V C -0.260 175.736 176.094 -0.163 0.000 1.023 32 V CA -0.454 61.779 62.300 -0.110 0.000 0.857 32 V CB 1.531 33.309 31.823 -0.075 0.000 0.985 32 V HN 0.604 nan 8.190 nan 0.000 0.443 33 L N 4.525 125.634 121.223 -0.190 0.000 2.277 33 L HA 0.584 4.924 4.340 -0.000 0.000 0.284 33 L C -0.189 176.590 176.870 -0.151 0.000 1.028 33 L CA -0.403 54.301 54.840 -0.227 0.000 0.835 33 L CB 1.414 43.297 42.059 -0.293 0.000 1.215 33 L HN 0.614 nan 8.230 nan 0.000 0.425 34 E N 2.330 122.447 120.200 -0.137 0.000 2.158 34 E HA 0.485 4.835 4.350 -0.000 0.000 0.271 34 E C 0.381 176.871 176.600 -0.183 0.000 0.911 34 E CA -0.287 56.036 56.400 -0.128 0.000 0.767 34 E CB 2.070 31.719 29.700 -0.085 0.000 1.120 34 E HN 0.551 nan 8.360 nan 0.000 0.405 35 A N 5.514 128.160 122.820 -0.290 0.000 1.898 35 A HA -0.031 4.289 4.320 -0.000 0.000 0.216 35 A C 1.071 178.428 177.584 -0.379 0.000 1.181 35 A CA 0.962 52.698 52.037 -0.502 0.000 0.620 35 A CB -0.216 18.091 19.000 -1.155 0.000 0.819 35 A HN 0.617 nan 8.150 nan 0.000 0.442 36 R N 0.044 120.400 120.500 -0.241 0.000 2.652 36 R HA 0.208 4.548 4.340 -0.000 0.000 0.271 36 R C 0.132 176.392 176.300 -0.067 0.000 1.129 36 R CA 0.216 56.252 56.100 -0.105 0.000 1.200 36 R CB 0.137 30.416 30.300 -0.035 0.000 1.146 36 R HN 0.485 nan 8.270 nan 0.000 0.581 37 D N 0.440 120.820 120.400 -0.034 0.000 2.325 37 D HA -0.031 4.609 4.640 -0.000 0.000 0.234 37 D C -0.048 176.250 176.300 -0.003 0.000 1.122 37 D CA 0.056 54.045 54.000 -0.018 0.000 0.850 37 D CB 0.004 40.800 40.800 -0.008 0.000 0.921 37 D HN 0.443 nan 8.370 nan 0.000 0.513 38 R N -1.174 119.325 120.500 -0.001 0.000 2.764 38 R HA 0.588 4.928 4.340 -0.000 0.000 0.270 38 R C -0.647 175.671 176.300 0.029 0.000 1.014 38 R CA -1.085 55.032 56.100 0.029 0.000 0.904 38 R CB 1.221 31.561 30.300 0.067 0.000 1.236 38 R HN -0.100 nan 8.270 nan 0.000 0.466 39 V N -1.640 118.300 119.914 0.044 0.000 3.134 39 V HA 0.834 4.954 4.120 -0.000 0.000 0.313 39 V C 0.941 177.088 176.094 0.088 0.000 1.069 39 V CA 0.441 62.767 62.300 0.043 0.000 1.048 39 V CB 0.770 32.604 31.823 0.018 0.000 1.119 39 V HN 1.192 nan 8.190 nan 0.000 0.461 40 G N -0.671 108.178 108.800 0.081 0.000 2.339 40 G HA2 0.163 4.123 3.960 -0.000 0.000 0.209 40 G HA3 0.163 4.123 3.960 -0.000 0.000 0.209 40 G C 1.645 176.629 174.900 0.140 0.000 1.015 40 G CA 0.743 45.910 45.100 0.112 0.000 0.635 40 G HN 2.710 nan 8.290 nan 0.000 0.499 41 G N 0.472 109.371 108.800 0.164 0.000 2.574 41 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.301 41 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.301 41 G C 0.887 175.944 174.900 0.261 0.000 1.166 41 G CA 1.284 46.496 45.100 0.187 0.000 0.971 41 G HN 1.191 nan 8.290 nan 0.000 0.542 42 R N 1.782 122.334 120.500 0.088 0.000 2.339 42 R HA 0.199 4.539 4.340 -0.000 0.000 0.199 42 R C 1.181 177.350 176.300 -0.218 0.000 1.018 42 R CA 1.138 57.095 56.100 -0.239 0.000 1.036 42 R CB -0.233 29.913 30.300 -0.256 0.000 0.899 42 R HN 0.733 nan 8.270 nan 0.000 0.473 43 T N -2.423 112.168 114.554 0.061 0.000 2.867 43 T HA 0.362 4.712 4.350 -0.000 0.000 0.282 43 T C -0.947 173.976 174.700 0.371 0.000 1.000 43 T CA -0.636 61.557 62.100 0.156 0.000 1.042 43 T CB 1.626 70.552 68.868 0.097 0.000 0.973 43 T HN 0.103 nan 8.240 nan 0.000 0.465 44 Y N 1.078 121.526 120.300 0.246 0.000 2.313 44 Y HA 0.440 4.990 4.550 -0.000 0.000 0.320 44 Y C -1.289 174.726 175.900 0.192 0.000 1.171 44 Y CA -0.860 57.389 58.100 0.249 0.000 1.093 44 Y CB 1.566 40.244 38.460 0.363 0.000 1.224 44 Y HN 0.894 nan 8.280 nan 0.000 0.421 45 T N 7.797 122.191 114.554 -0.266 0.000 2.772 45 T HA 0.429 4.779 4.350 -0.000 0.000 0.288 45 T C -0.978 173.430 174.700 -0.488 0.000 0.994 45 T CA -0.429 61.519 62.100 -0.252 0.000 0.951 45 T CB 0.702 69.525 68.868 -0.075 0.000 0.933 45 T HN 0.571 nan 8.240 nan 0.000 0.447 46 L N 4.300 125.228 121.223 -0.491 0.000 2.326 46 L HA 0.681 5.021 4.340 -0.000 0.000 0.278 46 L C -0.347 176.454 176.870 -0.114 0.000 1.092 46 L CA -0.125 54.511 54.840 -0.341 0.000 0.810 46 L CB 0.537 42.458 42.059 -0.230 0.000 1.153 46 L HN 0.432 nan 8.230 nan 0.000 0.439 47 R N 3.402 123.862 120.500 -0.066 0.000 2.534 47 R HA 0.647 4.987 4.340 -0.000 0.000 0.301 47 R C -1.112 175.163 176.300 -0.041 0.000 0.961 47 R CA -0.610 55.472 56.100 -0.030 0.000 0.871 47 R CB 1.368 31.663 30.300 -0.008 0.000 1.170 47 R HN 0.898 nan 8.270 nan 0.000 0.446 48 N N -1.277 117.378 118.700 -0.075 0.000 3.020 48 N HA 0.049 4.789 4.740 -0.000 0.000 0.248 48 N C -0.171 175.270 175.510 -0.115 0.000 1.480 48 N CA -0.987 52.015 53.050 -0.081 0.000 0.874 48 N CB 0.798 39.241 38.487 -0.073 0.000 1.433 48 N HN 0.427 nan 8.380 nan 0.000 0.530 49 Q N -0.426 119.317 119.800 -0.095 0.000 2.167 49 Q HA -0.029 4.311 4.340 -0.000 0.000 0.202 49 Q C 0.562 176.510 176.000 -0.086 0.000 0.970 49 Q CA 1.067 56.831 55.803 -0.065 0.000 0.855 49 Q CB 0.075 28.788 28.738 -0.043 0.000 0.911 49 Q HN 0.484 nan 8.270 nan 0.000 0.438 50 K N 0.096 120.349 120.400 -0.246 0.000 2.097 50 K HA -0.086 4.234 4.320 -0.000 0.000 0.205 50 K C 1.989 178.371 176.600 -0.364 0.000 1.050 50 K CA 1.512 57.551 56.287 -0.413 0.000 0.938 50 K CB 0.034 31.926 32.500 -1.013 0.000 0.718 50 K HN 0.352 nan 8.250 nan 0.000 0.442 51 V N -2.771 116.877 119.914 -0.443 0.000 3.605 51 V HA 0.224 4.344 4.120 -0.000 0.000 0.284 51 V C 1.345 177.018 176.094 -0.702 0.000 1.386 51 V CA 0.444 62.443 62.300 -0.502 0.000 1.053 51 V CB 0.157 31.709 31.823 -0.452 0.000 0.857 51 V HN 0.309 nan 8.190 nan 0.000 0.436 52 K N 0.507 120.567 120.400 -0.565 0.000 10.883 52 K HA -0.305 4.015 4.320 -0.000 0.000 0.526 52 K C 0.108 176.590 176.600 -0.196 0.000 0.382 52 K CA 2.467 58.467 56.287 -0.479 0.000 1.943 52 K CB -1.363 30.648 32.500 -0.816 0.000 0.766 52 K HN 0.892 nan 8.250 nan 0.000 1.214 53 Y N -1.869 118.272 120.300 -0.264 0.000 2.597 53 Y HA 0.737 5.287 4.550 -0.000 0.000 0.340 53 Y C -1.135 174.718 175.900 -0.078 0.000 1.097 53 Y CA -0.762 57.250 58.100 -0.146 0.000 1.037 53 Y CB 1.995 40.391 38.460 -0.107 0.000 1.305 53 Y HN -0.013 nan 8.280 nan 0.000 0.463 54 V N 2.063 122.030 119.914 0.089 0.000 2.777 54 V HA 0.374 4.494 4.120 -0.000 0.000 0.306 54 V C -1.587 174.568 176.094 0.101 0.000 1.112 54 V CA -0.645 61.712 62.300 0.095 0.000 0.917 54 V CB 1.937 33.838 31.823 0.130 0.000 1.018 54 V HN 0.922 nan 8.190 nan 0.000 0.426 55 D N 5.708 126.181 120.400 0.122 0.000 2.339 55 D HA 0.284 4.924 4.640 -0.000 0.000 0.256 55 D C 0.818 177.200 176.300 0.136 0.000 1.214 55 D CA 0.229 54.284 54.000 0.092 0.000 0.877 55 D CB 1.894 42.719 40.800 0.043 0.000 1.111 55 D HN 0.521 nan 8.370 nan 0.000 0.478 56 L N 1.544 122.901 121.223 0.222 0.000 2.554 56 L HA 0.201 4.541 4.340 -0.000 0.000 0.225 56 L C 1.540 178.810 176.870 0.667 0.000 1.104 56 L CA 0.082 55.154 54.840 0.386 0.000 0.866 56 L CB 0.365 42.663 42.059 0.399 0.000 1.047 56 L HN 0.324 nan 8.230 nan 0.000 0.468 57 G N -0.784 108.337 108.800 0.535 0.000 3.099 57 G HA2 0.436 4.396 3.960 -0.000 0.000 0.151 57 G HA3 0.436 4.396 3.960 -0.000 0.000 0.151 57 G C -0.157 174.764 174.900 0.035 0.000 1.265 57 G CA -0.075 45.167 45.100 0.237 0.000 0.981 57 G HN 0.091 nan 8.290 nan 0.000 0.601 58 G N -0.964 107.779 108.800 -0.095 0.000 2.414 58 G HA2 0.365 4.325 3.960 -0.000 0.000 0.236 58 G HA3 0.365 4.325 3.960 -0.000 0.000 0.236 58 G C 0.562 175.411 174.900 -0.085 0.000 1.293 58 G CA 0.865 45.906 45.100 -0.098 0.000 0.869 58 G HN 0.830 nan 8.290 nan 0.000 0.556 59 S N 1.013 116.582 115.700 -0.219 0.000 2.918 59 S HA 0.209 4.679 4.470 -0.000 0.000 0.264 59 S C 0.083 174.408 174.600 -0.458 0.000 1.078 59 S CA -0.331 57.648 58.200 -0.369 0.000 0.918 59 S CB 0.092 62.888 63.200 -0.674 0.000 0.882 59 S HN 0.501 nan 8.310 nan 0.000 0.466 60 Y N 2.570 122.818 120.300 -0.086 0.000 2.299 60 Y HA 0.559 5.109 4.550 -0.000 0.000 0.326 60 Y C 0.234 175.993 175.900 -0.235 0.000 1.164 60 Y CA -0.575 57.422 58.100 -0.172 0.000 1.234 60 Y CB 1.354 39.750 38.460 -0.106 0.000 1.219 60 Y HN 0.103 nan 8.280 nan 0.000 0.497 61 V N -0.307 119.479 119.914 -0.213 0.000 3.040 61 V HA 1.097 5.217 4.120 -0.000 0.000 0.312 61 V C -0.328 175.570 176.094 -0.327 0.000 1.115 61 V CA -0.579 61.520 62.300 -0.335 0.000 0.998 61 V CB 1.634 33.195 31.823 -0.436 0.000 1.042 61 V HN 0.930 nan 8.190 nan 0.000 0.433 62 G N 0.495 109.057 108.800 -0.397 0.000 2.600 62 G HA2 0.737 4.697 3.960 -0.000 0.000 0.293 62 G HA3 0.737 4.697 3.960 -0.000 0.000 0.293 62 G C -3.433 171.297 174.900 -0.282 0.000 1.408 62 G CA -1.244 43.672 45.100 -0.306 0.000 0.782 62 G HN 0.711 nan 8.290 nan 0.000 0.482 63 P HA 0.128 nan 4.420 nan 0.000 0.267 63 P C 0.782 178.056 177.300 -0.043 0.000 1.200 63 P CA 1.903 64.953 63.100 -0.083 0.000 0.772 63 P CB 0.906 32.588 31.700 -0.030 0.000 0.855 64 T N -1.670 112.890 114.554 0.010 0.000 6.424 64 T HA -0.246 4.104 4.350 -0.000 0.000 0.279 64 T C 0.176 174.889 174.700 0.022 0.000 2.176 64 T CA 0.935 63.115 62.100 0.135 0.000 3.628 64 T CB -2.678 66.401 68.868 0.352 0.000 1.165 64 T HN 0.593 nan 8.240 nan 0.000 1.080 65 Q N 1.357 120.995 119.800 -0.269 0.000 2.963 65 Q HA 0.398 4.738 4.340 -0.000 0.000 0.262 65 Q C 0.734 176.631 176.000 -0.172 0.000 1.318 65 Q CA -0.501 55.050 55.803 -0.421 0.000 1.089 65 Q CB 0.317 28.626 28.738 -0.714 0.000 1.424 65 Q HN 0.461 nan 8.270 nan 0.000 0.560 66 N N 0.886 119.554 118.700 -0.053 0.000 2.416 66 N HA -0.018 4.722 4.740 -0.000 0.000 0.177 66 N C 1.170 176.684 175.510 0.008 0.000 1.036 66 N CA 0.577 53.623 53.050 -0.007 0.000 0.901 66 N CB 0.373 38.880 38.487 0.034 0.000 0.976 66 N HN 0.379 nan 8.380 nan 0.000 0.444 67 R N 0.577 121.085 120.500 0.013 0.000 2.057 67 R HA 0.030 4.370 4.340 -0.000 0.000 0.229 67 R C 2.008 178.320 176.300 0.020 0.000 1.136 67 R CA 0.710 56.826 56.100 0.027 0.000 0.952 67 R CB -0.380 29.949 30.300 0.047 0.000 0.848 67 R HN 0.068 nan 8.270 nan 0.000 0.430 68 I N 1.365 121.941 120.570 0.010 0.000 2.286 68 I HA -0.205 3.965 4.170 -0.000 0.000 0.248 68 I C 1.804 177.982 176.117 0.103 0.000 1.115 68 I CA 1.417 62.746 61.300 0.048 0.000 1.392 68 I CB -0.087 37.949 38.000 0.060 0.000 1.065 68 I HN 0.109 nan 8.210 nan 0.000 0.418 69 L N 0.121 121.389 121.223 0.075 0.000 2.056 69 L HA -0.166 4.174 4.340 -0.000 0.000 0.207 69 L C 2.761 179.675 176.870 0.074 0.000 1.078 69 L CA 1.313 56.216 54.840 0.106 0.000 0.749 69 L CB -0.831 41.244 42.059 0.025 0.000 0.901 69 L HN 0.262 nan 8.230 nan 0.000 0.433 70 R N 0.705 121.228 120.500 0.039 0.000 2.066 70 R HA -0.186 4.154 4.340 -0.000 0.000 0.232 70 R C 2.322 178.628 176.300 0.009 0.000 1.131 70 R CA 1.663 57.777 56.100 0.024 0.000 0.955 70 R CB -0.673 29.639 30.300 0.021 0.000 0.851 70 R HN 0.225 nan 8.270 nan 0.000 0.432 71 L N 1.239 122.463 121.223 0.001 0.000 1.989 71 L HA -0.118 4.222 4.340 -0.000 0.000 0.211 71 L C 2.447 179.278 176.870 -0.066 0.000 1.071 71 L CA 2.462 57.286 54.840 -0.027 0.000 0.749 71 L CB -0.934 41.107 42.059 -0.030 0.000 0.890 71 L HN 0.274 nan 8.230 nan 0.000 0.431 72 A N -0.885 121.880 122.820 -0.091 0.000 1.930 72 A HA -0.251 4.069 4.320 -0.000 0.000 0.217 72 A C 2.457 179.979 177.584 -0.104 0.000 1.175 72 A CA 1.887 53.791 52.037 -0.222 0.000 0.627 72 A CB -0.617 18.117 19.000 -0.443 0.000 0.815 72 A HN 0.522 nan 8.150 nan 0.000 0.443 73 K N -0.170 120.223 120.400 -0.011 0.000 2.057 73 K HA -0.197 4.123 4.320 -0.000 0.000 0.207 73 K C 2.042 178.633 176.600 -0.014 0.000 1.049 73 K CA 1.611 57.904 56.287 0.009 0.000 0.931 73 K CB -0.176 32.342 32.500 0.030 0.000 0.714 73 K HN 0.618 nan 8.250 nan 0.000 0.440 74 E N 0.564 120.752 120.200 -0.020 0.000 2.118 74 E HA -0.184 4.166 4.350 -0.000 0.000 0.195 74 E C 1.627 178.206 176.600 -0.036 0.000 0.992 74 E CA 1.014 57.401 56.400 -0.022 0.000 0.804 74 E CB -0.012 29.678 29.700 -0.017 0.000 0.741 74 E HN 0.366 nan 8.360 nan 0.000 0.458 75 L N -0.732 120.454 121.223 -0.062 0.000 2.599 75 L HA 0.156 4.496 4.340 -0.000 0.000 0.230 75 L C 1.418 178.243 176.870 -0.074 0.000 1.141 75 L CA 0.488 55.282 54.840 -0.077 0.000 0.877 75 L CB 0.158 42.147 42.059 -0.117 0.000 1.009 75 L HN 0.422 nan 8.230 nan 0.000 0.447 76 G N 0.023 108.789 108.800 -0.058 0.000 2.144 76 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.218 76 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.218 76 G C 0.072 174.946 174.900 -0.043 0.000 0.988 76 G CA -0.403 44.672 45.100 -0.041 0.000 0.659 76 G HN 0.180 nan 8.290 nan 0.000 0.522 77 L N 0.102 121.286 121.223 -0.064 0.000 2.399 77 L HA 0.790 5.130 4.340 -0.000 0.000 0.265 77 L C 0.269 177.183 176.870 0.072 0.000 1.089 77 L CA -0.899 53.915 54.840 -0.043 0.000 0.802 77 L CB 0.992 42.923 42.059 -0.213 0.000 1.180 77 L HN 0.007 nan 8.230 nan 0.000 0.454 78 E N 0.229 120.518 120.200 0.149 0.000 2.369 78 E HA 0.461 4.811 4.350 -0.000 0.000 0.270 78 E C -0.846 175.906 176.600 0.253 0.000 0.909 78 E CA -0.491 56.011 56.400 0.170 0.000 0.775 78 E CB 2.420 32.190 29.700 0.118 0.000 1.270 78 E HN 0.671 nan 8.360 nan 0.000 0.445 79 T N -1.582 113.064 114.554 0.153 0.000 2.948 79 T HA 0.744 5.094 4.350 -0.000 0.000 0.285 79 T C -0.414 174.359 174.700 0.122 0.000 1.019 79 T CA -0.677 61.442 62.100 0.031 0.000 1.013 79 T CB 0.852 69.614 68.868 -0.177 0.000 1.117 79 T HN 0.487 nan 8.240 nan 0.000 0.533 80 Y N -1.600 118.690 120.300 -0.017 0.000 2.609 80 Y HA 0.754 5.304 4.550 0.000 0.000 0.342 80 Y C -0.789 175.108 175.900 -0.006 0.000 1.058 80 Y CA -1.563 56.541 58.100 0.008 0.000 1.055 80 Y CB 1.364 39.851 38.460 0.044 0.000 1.292 80 Y HN 0.615 nan 8.280 nan 0.000 0.476 81 K N 1.885 122.335 120.400 0.083 0.000 2.205 81 K HA 0.471 4.791 4.320 -0.000 0.000 0.279 81 K C -0.902 175.711 176.600 0.022 0.000 1.027 81 K CA -0.853 55.417 56.287 -0.027 0.000 0.932 81 K CB 1.805 34.321 32.500 0.025 0.000 1.032 81 K HN 0.573 nan 8.250 nan 0.000 0.466 82 V N 3.285 123.152 119.914 -0.078 0.000 2.673 82 V HA -0.098 4.022 4.120 -0.000 0.000 0.303 82 V C 0.487 176.606 176.094 0.041 0.000 1.046 82 V CA -0.162 62.142 62.300 0.006 0.000 1.126 82 V CB 0.431 32.223 31.823 -0.051 0.000 0.934 82 V HN 0.730 nan 8.190 nan 0.000 0.487 83 N N 4.012 122.768 118.700 0.093 0.000 2.452 83 N HA 0.019 4.759 4.740 -0.000 0.000 0.266 83 N C 0.205 175.725 175.510 0.018 0.000 1.209 83 N CA 0.506 53.602 53.050 0.077 0.000 0.929 83 N CB 0.355 38.915 38.487 0.122 0.000 1.063 83 N HN 0.813 nan 8.380 nan 0.000 0.472 84 E N 2.943 123.144 120.200 0.002 0.000 3.191 84 E HA 0.123 4.473 4.350 -0.000 0.000 0.192 84 E C 0.198 176.786 176.600 -0.020 0.000 0.972 84 E CA -0.065 56.317 56.400 -0.030 0.000 1.266 84 E CB 0.273 29.938 29.700 -0.058 0.000 1.076 84 E HN 0.458 nan 8.360 nan 0.000 0.462 85 V N 0.478 120.394 119.914 0.004 0.000 2.379 85 V HA -0.118 4.002 4.120 -0.000 0.000 0.245 85 V C 0.901 176.995 176.094 -0.000 0.000 1.044 85 V CA 1.511 63.812 62.300 0.002 0.000 1.036 85 V CB -0.030 31.798 31.823 0.009 0.000 0.664 85 V HN 0.240 nan 8.190 nan 0.000 0.453 86 E N -0.665 119.543 120.200 0.013 0.000 3.099 86 E HA 0.408 4.758 4.350 -0.000 0.000 0.259 86 E C 0.190 176.796 176.600 0.011 0.000 1.274 86 E CA -0.659 55.754 56.400 0.020 0.000 1.111 86 E CB 0.269 29.999 29.700 0.050 0.000 1.327 86 E HN 0.294 nan 8.360 nan 0.000 0.652 87 R N 0.116 120.648 120.500 0.054 0.000 2.539 87 R HA 0.307 4.647 4.340 -0.000 0.000 0.275 87 R C -0.453 175.821 176.300 -0.044 0.000 1.077 87 R CA -0.542 55.571 56.100 0.021 0.000 1.097 87 R CB 0.117 30.496 30.300 0.131 0.000 1.018 87 R HN 0.180 nan 8.270 nan 0.000 0.483 88 L N 2.133 123.165 121.223 -0.319 0.000 2.439 88 L HA 0.407 4.747 4.340 -0.000 0.000 0.259 88 L C 0.108 176.814 176.870 -0.273 0.000 1.129 88 L CA 0.034 54.592 54.840 -0.470 0.000 0.803 88 L CB 0.668 42.087 42.059 -1.066 0.000 1.161 88 L HN 0.453 nan 8.230 nan 0.000 0.462 89 I N 0.334 120.870 120.570 -0.057 0.000 2.465 89 I HA 0.277 4.447 4.170 -0.000 0.000 0.291 89 I C -0.595 175.843 176.117 0.535 0.000 1.014 89 I CA -0.492 60.922 61.300 0.191 0.000 1.093 89 I CB 1.502 39.458 38.000 -0.073 0.000 1.267 89 I HN 0.539 nan 8.210 nan 0.000 0.431 90 H N 5.435 124.833 119.070 0.547 0.000 2.504 90 H HA 0.322 4.878 4.556 -0.000 0.000 0.322 90 H C -1.335 174.231 175.328 0.398 0.000 1.055 90 H CA -0.728 55.563 56.048 0.406 0.000 1.231 90 H CB 1.001 30.891 29.762 0.213 0.000 1.417 90 H HN 0.620 nan 8.280 nan 0.000 0.472 91 H N 4.734 123.907 119.070 0.171 0.000 2.541 91 H HA 0.369 4.925 4.556 -0.000 0.000 0.316 91 H C -1.318 173.989 175.328 -0.035 0.000 1.043 91 H CA -0.481 55.612 56.048 0.075 0.000 1.232 91 H CB 0.822 30.635 29.762 0.085 0.000 1.406 91 H HN 0.366 nan 8.280 nan 0.000 0.469 92 V N 5.206 124.974 119.914 -0.244 0.000 2.760 92 V HA 0.318 4.438 4.120 -0.000 0.000 0.309 92 V C -0.565 175.467 176.094 -0.103 0.000 1.077 92 V CA -0.926 61.267 62.300 -0.179 0.000 0.910 92 V CB 1.560 33.192 31.823 -0.318 0.000 1.008 92 V HN 1.027 nan 8.190 nan 0.000 0.424 93 K N 4.641 125.015 120.400 -0.043 0.000 3.156 93 K HA -0.204 4.116 4.320 -0.000 0.000 0.266 93 K C 0.958 177.524 176.600 -0.056 0.000 0.966 93 K CA 0.974 57.253 56.287 -0.013 0.000 0.719 93 K CB -1.695 30.814 32.500 0.015 0.000 1.333 93 K HN 2.233 nan 8.250 nan 0.000 0.468 94 G N 0.068 108.791 108.800 -0.129 0.000 2.143 94 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.248 94 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.248 94 G C -0.100 174.619 174.900 -0.301 0.000 0.991 94 G CA 1.011 46.056 45.100 -0.093 0.000 0.689 94 G HN 0.472 nan 8.290 nan 0.000 0.522 95 K N -0.022 120.006 120.400 -0.619 0.000 2.464 95 K HA 0.616 4.936 4.320 -0.000 0.000 0.253 95 K C -0.365 175.874 176.600 -0.602 0.000 0.933 95 K CA -0.522 55.473 56.287 -0.486 0.000 0.801 95 K CB 1.352 33.651 32.500 -0.336 0.000 1.271 95 K HN 0.048 nan 8.250 nan 0.000 0.430 96 S N 2.403 117.918 115.700 -0.308 0.000 2.499 96 S HA 0.349 4.819 4.470 -0.000 0.000 0.279 96 S C -1.311 173.103 174.600 -0.311 0.000 1.219 96 S CA -0.333 57.816 58.200 -0.086 0.000 1.062 96 S CB 0.200 63.442 63.200 0.070 0.000 0.978 96 S HN 0.389 nan 8.310 nan 0.000 0.489 97 Y N 2.838 123.225 120.300 0.145 0.000 2.338 97 Y HA 0.376 4.926 4.550 0.000 0.000 0.328 97 Y C -2.463 173.637 175.900 0.333 0.000 0.965 97 Y CA -2.310 55.919 58.100 0.214 0.000 1.208 97 Y CB 1.235 39.818 38.460 0.204 0.000 1.132 97 Y HN 0.462 nan 8.280 nan 0.000 0.469 98 P HA 0.354 nan 4.420 nan 0.000 0.282 98 P C -1.046 176.546 177.300 0.487 0.000 1.249 98 P CA -0.267 63.074 63.100 0.402 0.000 0.806 98 P CB 0.785 32.718 31.700 0.389 0.000 0.984 99 F N -0.836 119.241 119.950 0.211 0.000 2.741 99 F HA 0.723 5.250 4.527 0.000 0.000 0.313 99 F C -1.173 174.702 175.800 0.125 0.000 1.153 99 F CA -1.291 56.816 58.000 0.177 0.000 0.931 99 F CB 1.494 40.599 39.000 0.175 0.000 1.335 99 F HN 0.034 nan 8.300 nan 0.000 0.460 100 R N 0.747 121.335 120.500 0.147 0.000 2.854 100 R HA 0.798 5.138 4.340 -0.000 0.000 0.271 100 R C -0.454 175.971 176.300 0.208 0.000 0.994 100 R CA -0.694 55.405 56.100 -0.002 0.000 0.945 100 R CB 1.905 32.222 30.300 0.028 0.000 1.194 100 R HN 1.467 nan 8.270 nan 0.000 0.476 101 G N 1.259 110.118 108.800 0.098 0.000 2.592 101 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.684 101 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.684 101 G C -2.129 172.833 174.900 0.103 0.000 1.291 101 G CA -0.867 44.303 45.100 0.117 0.000 0.891 101 G HN 0.449 nan 8.290 nan 0.000 0.544 102 P HA 0.161 nan 4.420 nan 0.000 0.219 102 P C 0.355 177.244 177.300 -0.684 0.000 1.150 102 P CA 1.194 64.084 63.100 -0.350 0.000 0.814 102 P CB 0.081 31.556 31.700 -0.375 0.000 0.787 103 F N -0.697 119.209 119.950 -0.073 0.000 2.576 103 F HA 0.452 4.979 4.527 0.000 0.000 0.313 103 F C -2.304 173.255 175.800 -0.402 0.000 1.078 103 F CA -2.918 54.933 58.000 -0.249 0.000 0.921 103 F CB 1.131 39.935 39.000 -0.325 0.000 1.232 103 F HN -0.384 nan 8.300 nan 0.000 0.459 104 P HA 0.115 nan 4.420 nan 0.000 0.268 104 P C -2.479 174.592 177.300 -0.380 0.000 1.205 104 P CA -0.778 61.696 63.100 -1.045 0.000 0.771 104 P CB -0.186 30.960 31.700 -0.923 0.000 0.858 105 P HA 0.079 nan 4.420 nan 0.000 0.271 105 P C -0.869 176.215 177.300 -0.360 0.000 1.218 105 P CA 0.211 63.146 63.100 -0.275 0.000 0.780 105 P CB 0.553 32.107 31.700 -0.244 0.000 0.901 106 V N 2.246 121.885 119.914 -0.458 0.000 2.540 106 V HA 0.242 4.362 4.120 -0.000 0.000 0.302 106 V C 0.214 176.079 176.094 -0.382 0.000 1.035 106 V CA -0.187 61.895 62.300 -0.364 0.000 0.873 106 V CB 1.779 33.319 31.823 -0.471 0.000 0.992 106 V HN 0.679 nan 8.190 nan 0.000 0.428 107 W N 0.733 122.034 121.300 0.001 0.000 2.699 107 W HA 0.217 4.877 4.660 -0.000 0.000 0.265 107 W C 1.314 177.845 176.519 0.021 0.000 1.210 107 W CA -0.200 57.158 57.345 0.022 0.000 1.414 107 W CB 0.240 29.704 29.460 0.006 0.000 1.043 107 W HN 0.498 nan 8.180 nan 0.000 0.599 108 N N 3.588 122.406 118.700 0.197 0.000 2.447 108 N HA -0.046 4.694 4.740 -0.000 0.000 0.263 108 N C -1.301 174.278 175.510 0.115 0.000 1.226 108 N CA -0.362 52.765 53.050 0.129 0.000 0.906 108 N CB 1.411 39.953 38.487 0.093 0.000 1.060 108 N HN -0.087 nan 8.380 nan 0.000 0.468 109 P HA -0.136 nan 4.420 nan 0.000 0.218 109 P C 1.472 178.833 177.300 0.102 0.000 1.149 109 P CA 0.740 63.886 63.100 0.075 0.000 0.817 109 P CB 0.401 32.122 31.700 0.034 0.000 0.785 110 I N 0.343 120.961 120.570 0.079 0.000 2.233 110 I HA -0.115 4.055 4.170 -0.000 0.000 0.243 110 I C 2.348 178.517 176.117 0.087 0.000 1.093 110 I CA 1.453 62.792 61.300 0.065 0.000 1.380 110 I CB -2.213 35.818 38.000 0.053 0.000 1.067 110 I HN -0.019 nan 8.210 nan 0.000 0.413 111 T N 0.369 114.981 114.554 0.097 0.000 2.746 111 T HA -0.243 4.107 4.350 -0.000 0.000 0.267 111 T C 1.898 176.653 174.700 0.091 0.000 1.039 111 T CA 1.493 63.662 62.100 0.115 0.000 1.142 111 T CB -0.640 68.266 68.868 0.065 0.000 0.866 111 T HN 0.267 nan 8.240 nan 0.000 0.444 112 Y N 2.037 122.305 120.300 -0.053 0.000 2.081 112 Y HA -0.201 4.349 4.550 -0.000 0.000 0.280 112 Y C 2.063 177.950 175.900 -0.021 0.000 1.163 112 Y CA 1.277 59.328 58.100 -0.081 0.000 1.135 112 Y CB -0.638 37.759 38.460 -0.105 0.000 0.970 112 Y HN 0.123 nan 8.280 nan 0.000 0.498 113 L N -0.293 121.040 121.223 0.183 0.000 2.042 113 L HA -0.242 4.098 4.340 -0.000 0.000 0.210 113 L C 2.257 179.106 176.870 -0.035 0.000 1.076 113 L CA 1.825 56.712 54.840 0.077 0.000 0.749 113 L CB -0.720 41.370 42.059 0.052 0.000 0.893 113 L HN 0.243 nan 8.230 nan 0.000 0.432 114 D N -0.830 119.570 120.400 0.000 0.000 2.097 114 D HA -0.207 4.433 4.640 -0.000 0.000 0.195 114 D C 2.188 178.436 176.300 -0.088 0.000 0.989 114 D CA 1.358 55.350 54.000 -0.013 0.000 0.827 114 D CB 0.033 40.862 40.800 0.049 0.000 0.966 114 D HN 0.317 nan 8.370 nan 0.000 0.456 115 H N -0.394 118.541 119.070 -0.225 0.000 2.357 115 H HA -0.093 4.463 4.556 -0.000 0.000 0.301 115 H C 2.142 177.267 175.328 -0.339 0.000 1.082 115 H CA 1.110 56.969 56.048 -0.315 0.000 1.342 115 H CB -0.143 29.472 29.762 -0.245 0.000 1.389 115 H HN 0.290 nan 8.280 nan 0.000 0.511 116 N N 1.201 119.767 118.700 -0.223 0.000 2.104 116 N HA -0.175 4.565 4.740 -0.000 0.000 0.190 116 N C 1.780 177.182 175.510 -0.179 0.000 1.024 116 N CA 0.822 53.731 53.050 -0.236 0.000 0.853 116 N CB -0.190 38.094 38.487 -0.339 0.000 1.008 116 N HN 0.405 nan 8.380 nan 0.000 0.424 117 N N -0.236 118.361 118.700 -0.172 0.000 2.244 117 N HA -0.166 4.574 4.740 -0.000 0.000 0.183 117 N C 1.814 177.174 175.510 -0.251 0.000 1.016 117 N CA 0.505 53.453 53.050 -0.170 0.000 0.866 117 N CB -0.218 38.197 38.487 -0.120 0.000 0.980 117 N HN 0.215 nan 8.380 nan 0.000 0.430 118 F N 0.758 120.425 119.950 -0.472 0.000 2.051 118 F HA -0.103 4.424 4.527 -0.000 0.000 0.296 118 F C 1.733 177.129 175.800 -0.673 0.000 1.122 118 F CA 1.643 59.243 58.000 -0.666 0.000 1.201 118 F CB -0.810 37.590 39.000 -0.999 0.000 0.978 118 F HN 0.061 nan 8.300 nan 0.000 0.472 119 W N 0.525 121.545 121.300 -0.467 0.000 2.358 119 W HA -0.135 4.525 4.660 0.000 0.000 0.303 119 W C 2.795 179.029 176.519 -0.475 0.000 1.208 119 W CA 1.359 58.352 57.345 -0.586 0.000 1.274 119 W CB -0.668 28.431 29.460 -0.601 0.000 1.138 119 W HN -0.073 nan 8.180 nan 0.000 0.515 120 R N 0.127 120.520 120.500 -0.179 0.000 2.081 120 R HA -0.147 4.193 4.340 -0.000 0.000 0.235 120 R C 1.902 178.064 176.300 -0.231 0.000 1.131 120 R CA 2.093 58.091 56.100 -0.171 0.000 0.960 120 R CB -0.606 29.597 30.300 -0.161 0.000 0.856 120 R HN 0.041 nan 8.270 nan 0.000 0.436 121 T N 1.139 115.498 114.554 -0.325 0.000 2.857 121 T HA -0.069 4.281 4.350 -0.000 0.000 0.266 121 T C 1.815 176.287 174.700 -0.380 0.000 1.048 121 T CA 1.203 63.109 62.100 -0.322 0.000 1.139 121 T CB -0.009 68.662 68.868 -0.328 0.000 0.874 121 T HN 0.182 nan 8.240 nan 0.000 0.455 122 M N 1.489 120.772 119.600 -0.528 0.000 2.108 122 M HA -0.106 4.374 4.480 -0.000 0.000 0.261 122 M C 1.750 177.897 176.300 -0.254 0.000 1.066 122 M CA 1.495 56.541 55.300 -0.423 0.000 1.107 122 M CB -0.941 31.404 32.600 -0.426 0.000 1.356 122 M HN 0.167 nan 8.290 nan 0.000 0.406 123 D N 0.514 120.793 120.400 -0.203 0.000 2.149 123 D HA -0.107 4.533 4.640 -0.000 0.000 0.201 123 D C 1.594 177.817 176.300 -0.127 0.000 0.972 123 D CA 0.972 54.886 54.000 -0.143 0.000 0.835 123 D CB -0.284 40.449 40.800 -0.113 0.000 0.966 123 D HN 0.270 nan 8.370 nan 0.000 0.476 124 D N 0.316 120.635 120.400 -0.135 0.000 2.123 124 D HA -0.126 4.514 4.640 -0.000 0.000 0.196 124 D C 2.177 178.452 176.300 -0.041 0.000 0.992 124 D CA 0.814 54.761 54.000 -0.089 0.000 0.833 124 D CB -0.215 40.528 40.800 -0.094 0.000 0.954 124 D HN 0.257 nan 8.370 nan 0.000 0.455 125 M N 0.058 119.601 119.600 -0.094 0.000 2.132 125 M HA -0.033 4.447 4.480 -0.000 0.000 0.263 125 M C 2.343 178.678 176.300 0.058 0.000 1.065 125 M CA 1.576 56.851 55.300 -0.042 0.000 1.122 125 M CB -0.420 31.878 32.600 -0.504 0.000 1.365 125 M HN 0.018 nan 8.290 nan 0.000 0.411 126 G N 0.358 109.123 108.800 -0.058 0.000 2.450 126 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.220 126 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.220 126 G C 1.611 176.501 174.900 -0.016 0.000 1.130 126 G CA 0.579 45.654 45.100 -0.043 0.000 0.760 126 G HN 0.418 nan 8.290 nan 0.000 0.557 127 R N 0.201 120.688 120.500 -0.021 0.000 2.285 127 R HA 0.027 4.367 4.340 -0.000 0.000 0.213 127 R C 1.398 177.696 176.300 -0.003 0.000 1.068 127 R CA 0.648 56.730 56.100 -0.030 0.000 1.004 127 R CB 0.101 30.379 30.300 -0.038 0.000 0.873 127 R HN 0.290 nan 8.270 nan 0.000 0.467 128 E N 0.349 120.585 120.200 0.060 0.000 2.465 128 E HA 0.120 4.470 4.350 -0.000 0.000 0.191 128 E C 0.041 176.659 176.600 0.030 0.000 1.053 128 E CA 0.286 56.712 56.400 0.044 0.000 0.869 128 E CB 0.490 30.237 29.700 0.078 0.000 0.977 128 E HN 0.312 nan 8.360 nan 0.000 0.483 129 I N 2.534 123.138 120.570 0.056 0.000 2.382 129 I HA 0.228 4.398 4.170 -0.000 0.000 0.285 129 I C -2.484 173.629 176.117 -0.007 0.000 1.007 129 I CA -2.378 58.955 61.300 0.053 0.000 1.142 129 I CB 1.736 39.839 38.000 0.171 0.000 1.289 129 I HN -0.357 nan 8.210 nan 0.000 0.453 130 P HA 0.130 nan 4.420 nan 0.000 0.271 130 P C 0.544 177.801 177.300 -0.073 0.000 1.226 130 P CA 0.191 63.212 63.100 -0.131 0.000 0.765 130 P CB 0.969 32.537 31.700 -0.219 0.000 0.835 131 S N 2.191 117.866 115.700 -0.042 0.000 2.383 131 S HA -0.174 4.296 4.470 -0.000 0.000 0.229 131 S C 1.285 175.966 174.600 0.135 0.000 1.030 131 S CA 1.844 60.097 58.200 0.089 0.000 1.002 131 S CB -0.595 62.563 63.200 -0.071 0.000 0.829 131 S HN 0.678 nan 8.310 nan 0.000 0.467 132 D N 0.298 120.633 120.400 -0.109 0.000 2.339 132 D HA 0.276 4.916 4.640 -0.000 0.000 0.217 132 D C 0.218 176.279 176.300 -0.398 0.000 1.050 132 D CA 0.334 54.228 54.000 -0.178 0.000 0.856 132 D CB 0.075 40.712 40.800 -0.272 0.000 0.922 132 D HN 0.260 nan 8.370 nan 0.000 0.518 133 A N 1.175 123.582 122.820 -0.688 0.000 3.068 133 A HA 0.319 4.639 4.320 -0.000 0.000 0.269 133 A C -2.234 174.508 177.584 -1.404 0.000 1.259 133 A CA -0.747 50.359 52.037 -1.553 0.000 0.938 133 A CB 0.786 19.247 19.000 -0.898 0.000 1.433 133 A HN -0.089 nan 8.150 nan 0.000 0.664 134 P HA -0.149 nan 4.420 nan 0.000 0.222 134 P C 1.148 178.213 177.300 -0.392 0.000 1.147 134 P CA 1.246 63.992 63.100 -0.589 0.000 0.790 134 P CB -0.303 31.024 31.700 -0.620 0.000 0.780 135 W N 0.772 121.991 121.300 -0.134 0.000 2.721 135 W HA 0.146 4.806 4.660 -0.000 0.000 0.245 135 W C 1.195 177.665 176.519 -0.082 0.000 1.276 135 W CA 0.266 57.555 57.345 -0.094 0.000 1.342 135 W CB -1.329 28.072 29.460 -0.099 0.000 1.135 135 W HN -0.122 nan 8.180 nan 0.000 0.654 136 K N 0.787 120.984 120.400 -0.338 0.000 2.387 136 K HA 0.344 4.664 4.320 -0.000 0.000 0.198 136 K C 0.957 177.461 176.600 -0.160 0.000 1.022 136 K CA 0.087 56.271 56.287 -0.173 0.000 1.128 136 K CB 0.075 32.442 32.500 -0.221 0.000 0.853 136 K HN 0.097 nan 8.250 nan 0.000 0.523 137 A N 2.237 124.959 122.820 -0.164 0.000 2.483 137 A HA 0.097 4.417 4.320 -0.000 0.000 0.238 137 A C -1.622 175.827 177.584 -0.224 0.000 1.070 137 A CA -0.950 50.984 52.037 -0.172 0.000 0.770 137 A CB 0.088 19.006 19.000 -0.138 0.000 1.008 137 A HN -0.023 nan 8.150 nan 0.000 0.497 138 P HA -0.076 nan 4.420 nan 0.000 0.218 138 P C 0.507 177.608 177.300 -0.332 0.000 1.149 138 P CA 1.166 64.122 63.100 -0.239 0.000 0.817 138 P CB 0.049 31.619 31.700 -0.217 0.000 0.785 139 L N -1.842 119.024 121.223 -0.595 0.000 2.984 139 L HA 0.349 4.689 4.340 -0.000 0.000 0.246 139 L C 1.845 178.338 176.870 -0.628 0.000 1.268 139 L CA -0.320 54.082 54.840 -0.729 0.000 1.054 139 L CB -0.576 40.729 42.059 -1.256 0.000 1.393 139 L HN -0.105 nan 8.230 nan 0.000 0.532 140 A N 0.623 123.243 122.820 -0.333 0.000 1.903 140 A HA -0.242 4.078 4.320 -0.000 0.000 0.219 140 A C 2.189 179.767 177.584 -0.009 0.000 1.191 140 A CA 1.915 53.887 52.037 -0.109 0.000 0.638 140 A CB -0.182 18.804 19.000 -0.023 0.000 0.823 140 A HN 0.531 nan 8.150 nan 0.000 0.451 141 E N -1.055 119.125 120.200 -0.033 0.000 2.047 141 E HA -0.206 4.144 4.350 -0.000 0.000 0.191 141 E C 2.157 178.792 176.600 0.059 0.000 0.987 141 E CA 1.125 57.541 56.400 0.027 0.000 0.799 141 E CB -0.190 29.514 29.700 0.006 0.000 0.752 141 E HN 0.826 nan 8.360 nan 0.000 0.449 142 E N 0.168 120.368 120.200 0.001 0.000 2.070 142 E HA -0.216 4.134 4.350 -0.000 0.000 0.197 142 E C 1.692 178.457 176.600 0.275 0.000 1.004 142 E CA 1.376 57.824 56.400 0.080 0.000 0.805 142 E CB -0.038 29.664 29.700 0.003 0.000 0.744 142 E HN 0.290 nan 8.360 nan 0.000 0.451 143 W N 0.954 122.295 121.300 0.068 0.000 2.467 143 W HA -0.009 4.651 4.660 -0.000 0.000 0.275 143 W C 1.900 178.492 176.519 0.122 0.000 1.239 143 W CA 0.715 58.114 57.345 0.089 0.000 1.266 143 W CB -0.934 28.577 29.460 0.086 0.000 1.112 143 W HN 0.243 nan 8.180 nan 0.000 0.576 144 D N -0.324 120.279 120.400 0.339 0.000 2.312 144 D HA -0.121 4.519 4.640 -0.000 0.000 0.211 144 D C 1.310 177.748 176.300 0.230 0.000 0.964 144 D CA 0.929 55.098 54.000 0.281 0.000 0.877 144 D CB -0.192 40.745 40.800 0.228 0.000 0.924 144 D HN -0.101 nan 8.370 nan 0.000 0.515 145 N N -0.175 118.643 118.700 0.197 0.000 2.336 145 N HA 0.085 4.825 4.740 -0.000 0.000 0.189 145 N C 0.098 175.696 175.510 0.147 0.000 1.113 145 N CA 0.118 53.259 53.050 0.152 0.000 0.858 145 N CB 0.061 38.617 38.487 0.116 0.000 0.970 145 N HN 0.456 nan 8.380 nan 0.000 0.471 146 M N -0.898 118.807 119.600 0.174 0.000 2.508 146 M HA 0.472 4.952 4.480 -0.000 0.000 0.327 146 M C 0.211 176.601 176.300 0.150 0.000 1.160 146 M CA -0.820 54.565 55.300 0.142 0.000 0.980 146 M CB 1.570 34.250 32.600 0.133 0.000 1.693 146 M HN -0.137 nan 8.290 nan 0.000 0.452 147 T N -0.690 113.935 114.554 0.118 0.000 2.788 147 T HA 0.242 4.592 4.350 -0.000 0.000 0.287 147 T C 1.082 175.833 174.700 0.085 0.000 1.007 147 T CA -0.785 61.385 62.100 0.116 0.000 1.005 147 T CB 0.818 69.745 68.868 0.097 0.000 1.012 147 T HN 0.774 nan 8.240 nan 0.000 0.530 148 M N 0.261 119.900 119.600 0.064 0.000 2.279 148 M HA -0.003 4.477 4.480 -0.000 0.000 0.264 148 M C 2.172 178.458 176.300 -0.023 0.000 1.062 148 M CA 1.507 56.810 55.300 0.005 0.000 1.099 148 M CB -1.251 31.281 32.600 -0.112 0.000 1.394 148 M HN 0.866 nan 8.290 nan 0.000 0.426 149 K N 0.290 120.683 120.400 -0.013 0.000 2.057 149 K HA -0.201 4.119 4.320 -0.000 0.000 0.206 149 K C 1.886 178.474 176.600 -0.019 0.000 1.050 149 K CA 1.532 57.808 56.287 -0.018 0.000 0.935 149 K CB -0.036 32.485 32.500 0.035 0.000 0.715 149 K HN 0.351 nan 8.250 nan 0.000 0.439 150 E N 0.451 120.655 120.200 0.007 0.000 2.077 150 E HA -0.207 4.143 4.350 -0.000 0.000 0.193 150 E C 2.059 178.652 176.600 -0.011 0.000 0.989 150 E CA 0.879 57.279 56.400 -0.000 0.000 0.800 150 E CB -0.047 29.668 29.700 0.026 0.000 0.746 150 E HN 0.249 nan 8.360 nan 0.000 0.452 151 L N 0.879 122.102 121.223 -0.001 0.000 2.046 151 L HA -0.149 4.191 4.340 -0.000 0.000 0.208 151 L C 2.113 178.977 176.870 -0.009 0.000 1.077 151 L CA 1.541 56.373 54.840 -0.014 0.000 0.747 151 L CB -0.354 41.688 42.059 -0.029 0.000 0.896 151 L HN 0.239 nan 8.230 nan 0.000 0.432 152 L N -0.789 120.423 121.223 -0.019 0.000 2.083 152 L HA -0.199 4.141 4.340 -0.000 0.000 0.209 152 L C 2.208 179.005 176.870 -0.121 0.000 1.083 152 L CA 1.248 56.043 54.840 -0.075 0.000 0.752 152 L CB -0.941 41.020 42.059 -0.164 0.000 0.899 152 L HN 0.285 nan 8.230 nan 0.000 0.433 153 D N 0.280 120.615 120.400 -0.108 0.000 2.144 153 D HA -0.166 4.474 4.640 -0.000 0.000 0.199 153 D C 2.183 178.388 176.300 -0.159 0.000 0.984 153 D CA 1.184 55.102 54.000 -0.136 0.000 0.834 153 D CB 0.008 40.742 40.800 -0.110 0.000 0.955 153 D HN 0.275 nan 8.370 nan 0.000 0.465 154 K N -0.055 120.283 120.400 -0.103 0.000 2.007 154 K HA 0.039 4.359 4.320 -0.000 0.000 0.206 154 K C 2.253 178.818 176.600 -0.058 0.000 1.047 154 K CA 0.570 56.805 56.287 -0.086 0.000 0.937 154 K CB -0.006 32.478 32.500 -0.026 0.000 0.718 154 K HN 0.107 nan 8.250 nan 0.000 0.438 155 L N 0.354 121.573 121.223 -0.006 0.000 2.209 155 L HA -0.027 4.313 4.340 -0.000 0.000 0.207 155 L C 0.717 177.657 176.870 0.117 0.000 1.094 155 L CA 0.061 54.951 54.840 0.084 0.000 0.790 155 L CB 0.115 42.242 42.059 0.113 0.000 0.932 155 L HN 0.154 nan 8.230 nan 0.000 0.447 156 C N -0.254 119.024 119.300 -0.038 0.000 2.303 156 C HA 0.104 4.564 4.460 -0.000 0.000 0.341 156 C C 0.848 175.801 174.990 -0.063 0.000 1.244 156 C CA -0.936 58.035 59.018 -0.078 0.000 1.765 156 C CB -0.737 26.836 27.740 -0.277 0.000 2.379 156 C HN 0.466 nan 8.230 nan 0.000 0.530 157 W N 1.991 123.227 121.300 -0.107 0.000 3.256 157 W HA 0.130 4.790 4.660 -0.000 0.000 0.269 157 W C 1.405 177.884 176.519 -0.066 0.000 1.310 157 W CA 0.110 57.412 57.345 -0.071 0.000 1.673 157 W CB -0.129 29.303 29.460 -0.047 0.000 1.115 157 W HN 0.692 nan 8.180 nan 0.000 0.686 158 T N -3.877 110.724 114.554 0.078 0.000 2.907 158 T HA 0.296 4.646 4.350 -0.000 0.000 0.292 158 T C 0.800 175.470 174.700 -0.050 0.000 1.043 158 T CA -0.658 61.462 62.100 0.034 0.000 1.003 158 T CB 2.589 71.500 68.868 0.071 0.000 1.084 158 T HN -0.226 nan 8.240 nan 0.000 0.483 159 E N 0.977 121.159 120.200 -0.031 0.000 2.150 159 E HA -0.092 4.258 4.350 -0.000 0.000 0.193 159 E C 2.116 178.687 176.600 -0.048 0.000 0.985 159 E CA 1.197 57.566 56.400 -0.051 0.000 0.814 159 E CB -0.352 29.333 29.700 -0.024 0.000 0.752 159 E HN 0.723 nan 8.360 nan 0.000 0.466 160 S N 0.627 116.333 115.700 0.010 0.000 2.356 160 S HA -0.144 4.326 4.470 -0.000 0.000 0.223 160 S C 2.097 176.670 174.600 -0.045 0.000 1.032 160 S CA 1.442 59.697 58.200 0.091 0.000 1.005 160 S CB -0.066 63.270 63.200 0.227 0.000 0.867 160 S HN 0.278 nan 8.310 nan 0.000 0.449 161 A N 1.378 124.022 122.820 -0.293 0.000 1.877 161 A HA -0.080 4.240 4.320 -0.000 0.000 0.216 161 A C 2.199 179.380 177.584 -0.672 0.000 1.186 161 A CA 1.845 53.357 52.037 -0.875 0.000 0.620 161 A CB -0.806 17.723 19.000 -0.785 0.000 0.822 161 A HN 0.635 nan 8.150 nan 0.000 0.443 162 K N -0.561 119.570 120.400 -0.447 0.000 2.063 162 K HA -0.227 4.093 4.320 -0.000 0.000 0.208 162 K C 2.280 178.714 176.600 -0.275 0.000 1.048 162 K CA 1.809 57.858 56.287 -0.396 0.000 0.928 162 K CB -0.184 32.164 32.500 -0.253 0.000 0.713 162 K HN 0.657 nan 8.250 nan 0.000 0.442 163 Q N 0.218 119.922 119.800 -0.160 0.000 2.084 163 Q HA -0.171 4.169 4.340 -0.000 0.000 0.202 163 Q C 2.102 178.096 176.000 -0.011 0.000 0.978 163 Q CA 1.344 57.118 55.803 -0.048 0.000 0.844 163 Q CB -0.087 28.664 28.738 0.023 0.000 0.898 163 Q HN 0.216 nan 8.270 nan 0.000 0.426 164 L N 0.357 121.557 121.223 -0.039 0.000 2.109 164 L HA -0.027 4.313 4.340 -0.000 0.000 0.207 164 L C 2.110 179.035 176.870 0.091 0.000 1.086 164 L CA 1.698 56.593 54.840 0.091 0.000 0.760 164 L CB -0.632 41.510 42.059 0.139 0.000 0.910 164 L HN 0.131 nan 8.230 nan 0.000 0.437 165 A N -1.516 121.130 122.820 -0.289 0.000 1.933 165 A HA -0.200 4.120 4.320 -0.000 0.000 0.218 165 A C 2.254 179.822 177.584 -0.026 0.000 1.175 165 A CA 2.255 54.076 52.037 -0.361 0.000 0.628 165 A CB -1.158 17.071 19.000 -1.285 0.000 0.814 165 A HN 0.489 nan 8.150 nan 0.000 0.444 166 T N 0.498 115.001 114.554 -0.084 0.000 2.674 166 T HA -0.125 4.225 4.350 -0.000 0.000 0.265 166 T C 1.826 176.569 174.700 0.071 0.000 1.039 166 T CA 1.577 63.661 62.100 -0.026 0.000 1.150 166 T CB -0.431 68.415 68.868 -0.037 0.000 0.864 166 T HN 0.362 nan 8.240 nan 0.000 0.427 167 L N -0.068 121.236 121.223 0.136 0.000 2.012 167 L HA -0.085 4.255 4.340 -0.000 0.000 0.210 167 L C 2.245 179.247 176.870 0.221 0.000 1.073 167 L CA 1.498 56.446 54.840 0.180 0.000 0.748 167 L CB -0.581 41.616 42.059 0.231 0.000 0.891 167 L HN 0.209 nan 8.230 nan 0.000 0.431 168 F N -0.041 120.013 119.950 0.173 0.000 2.095 168 F HA -0.239 4.288 4.527 -0.000 0.000 0.298 168 F C 2.247 178.167 175.800 0.200 0.000 1.104 168 F CA 1.731 59.882 58.000 0.252 0.000 1.232 168 F CB -0.224 39.100 39.000 0.539 0.000 0.987 168 F HN -0.240 nan 8.300 nan 0.000 0.475 169 V N 0.845 120.874 119.914 0.192 0.000 2.358 169 V HA -0.331 3.789 4.120 -0.000 0.000 0.246 169 V C 1.920 177.937 176.094 -0.129 0.000 1.047 169 V CA 2.423 64.610 62.300 -0.187 0.000 1.035 169 V CB -1.004 30.551 31.823 -0.446 0.000 0.658 169 V HN 0.411 nan 8.190 nan 0.000 0.452 170 N N 0.069 118.725 118.700 -0.072 0.000 2.166 170 N HA -0.180 4.560 4.740 -0.000 0.000 0.186 170 N C 1.746 177.206 175.510 -0.083 0.000 1.019 170 N CA 1.227 54.230 53.050 -0.078 0.000 0.856 170 N CB -0.160 38.318 38.487 -0.016 0.000 0.993 170 N HN 0.356 nan 8.380 nan 0.000 0.426 171 L N 0.504 121.695 121.223 -0.053 0.000 2.179 171 L HA 0.039 4.379 4.340 -0.000 0.000 0.208 171 L C 1.897 178.754 176.870 -0.022 0.000 1.096 171 L CA 1.369 56.175 54.840 -0.056 0.000 0.779 171 L CB -0.379 41.612 42.059 -0.113 0.000 0.922 171 L HN 0.181 nan 8.230 nan 0.000 0.443 172 C N -1.338 117.923 119.300 -0.065 0.000 2.457 172 C HA 0.042 4.502 4.460 -0.000 0.000 0.278 172 C C 2.178 177.262 174.990 0.156 0.000 1.309 172 C CA 0.808 59.857 59.018 0.053 0.000 1.735 172 C CB -0.478 27.237 27.740 -0.042 0.000 1.992 172 C HN 0.569 nan 8.230 nan 0.000 0.493 173 V N -1.916 118.006 119.914 0.014 0.000 3.276 173 V HA 0.295 4.415 4.120 -0.000 0.000 0.319 173 V C 0.733 176.710 176.094 -0.195 0.000 1.476 173 V CA 0.756 63.030 62.300 -0.043 0.000 1.097 173 V CB -1.334 30.576 31.823 0.145 0.000 0.988 173 V HN 0.504 nan 8.190 nan 0.000 0.473 174 T N -1.296 113.049 114.554 -0.348 0.000 3.708 174 T HA -0.058 4.292 4.350 -0.000 0.000 0.375 174 T C 0.123 174.667 174.700 -0.260 0.000 0.763 174 T CA 1.355 63.226 62.100 -0.382 0.000 1.915 174 T CB -2.573 65.923 68.868 -0.620 0.000 1.783 174 T HN 2.487 nan 8.240 nan 0.000 0.734 175 A N -0.236 122.427 122.820 -0.261 0.000 2.609 175 A HA 0.728 5.048 4.320 -0.000 0.000 0.291 175 A C -0.463 176.921 177.584 -0.334 0.000 1.096 175 A CA -1.072 50.737 52.037 -0.380 0.000 0.684 175 A CB 1.207 19.767 19.000 -0.733 0.000 1.282 175 A HN 0.347 nan 8.150 nan 0.000 0.412 176 E N 0.439 120.396 120.200 -0.406 0.000 2.349 176 E HA 0.258 4.608 4.350 -0.000 0.000 0.262 176 E C 1.230 177.547 176.600 -0.472 0.000 1.088 176 E CA 0.515 56.655 56.400 -0.434 0.000 0.899 176 E CB 0.882 30.134 29.700 -0.747 0.000 1.044 176 E HN 0.800 nan 8.360 nan 0.000 0.420 177 T N -1.458 112.897 114.554 -0.332 0.000 2.833 177 T HA -0.188 4.162 4.350 -0.000 0.000 0.269 177 T C 1.387 175.980 174.700 -0.177 0.000 1.054 177 T CA 1.571 63.530 62.100 -0.236 0.000 1.135 177 T CB -0.350 68.432 68.868 -0.144 0.000 0.869 177 T HN 0.610 nan 8.240 nan 0.000 0.466 178 H N 0.414 119.439 119.070 -0.075 0.000 2.547 178 H HA 0.303 4.859 4.556 -0.000 0.000 0.266 178 H C 1.381 176.691 175.328 -0.029 0.000 0.988 178 H CA 0.537 56.560 56.048 -0.042 0.000 1.147 178 H CB -0.140 29.595 29.762 -0.045 0.000 1.365 178 H HN 0.494 nan 8.280 nan 0.000 0.589 179 E N 1.362 121.360 120.200 -0.336 0.000 2.250 179 E HA 0.039 4.389 4.350 -0.000 0.000 0.192 179 E C 0.828 177.405 176.600 -0.038 0.000 0.986 179 E CA 0.422 56.721 56.400 -0.168 0.000 0.849 179 E CB 0.781 30.220 29.700 -0.436 0.000 0.797 179 E HN 0.358 nan 8.360 nan 0.000 0.482 180 V N -1.072 118.814 119.914 -0.046 0.000 2.630 180 V HA 0.417 4.537 4.120 -0.000 0.000 0.305 180 V C 0.020 176.285 176.094 0.285 0.000 1.046 180 V CA -1.155 61.247 62.300 0.170 0.000 0.934 180 V CB 1.846 33.847 31.823 0.296 0.000 1.003 180 V HN -0.047 nan 8.190 nan 0.000 0.451 181 S N 2.907 118.860 115.700 0.422 0.000 2.549 181 S HA 0.484 4.954 4.470 -0.000 0.000 0.283 181 S C 1.393 176.274 174.600 0.469 0.000 1.320 181 S CA 0.130 58.582 58.200 0.419 0.000 1.058 181 S CB 0.985 64.474 63.200 0.480 0.000 0.882 181 S HN 1.690 nan 8.310 nan 0.000 0.498 182 A N 4.862 127.880 122.820 0.328 0.000 1.902 182 A HA -0.020 4.300 4.320 -0.000 0.000 0.217 182 A C 2.010 179.782 177.584 0.314 0.000 1.181 182 A CA 1.582 53.780 52.037 0.268 0.000 0.623 182 A CB -0.923 18.151 19.000 0.123 0.000 0.818 182 A HN 0.957 nan 8.150 nan 0.000 0.443 183 L N -1.406 120.048 121.223 0.385 0.000 1.989 183 L HA -0.168 4.172 4.340 -0.000 0.000 0.211 183 L C 2.242 179.352 176.870 0.400 0.000 1.071 183 L CA 2.628 57.722 54.840 0.424 0.000 0.749 183 L CB -0.787 41.520 42.059 0.413 0.000 0.890 183 L HN 0.659 nan 8.230 nan 0.000 0.431 184 W N -0.587 120.896 121.300 0.306 0.000 2.358 184 W HA -0.261 4.399 4.660 -0.000 0.000 0.303 184 W C 2.318 179.127 176.519 0.483 0.000 1.208 184 W CA 1.763 59.312 57.345 0.339 0.000 1.274 184 W CB -0.702 28.950 29.460 0.319 0.000 1.138 184 W HN 0.293 nan 8.180 nan 0.000 0.515 185 F N 0.811 120.816 119.950 0.092 0.000 2.134 185 F HA -0.166 4.361 4.527 -0.000 0.000 0.299 185 F C 2.090 177.824 175.800 -0.111 0.000 1.097 185 F CA 2.146 60.007 58.000 -0.232 0.000 1.264 185 F CB -0.656 38.371 39.000 0.045 0.000 1.001 185 F HN -0.170 nan 8.300 nan 0.000 0.479 186 L N -1.306 119.924 121.223 0.012 0.000 2.083 186 L HA -0.218 4.122 4.340 -0.000 0.000 0.209 186 L C 2.292 179.085 176.870 -0.129 0.000 1.083 186 L CA 1.608 56.389 54.840 -0.099 0.000 0.752 186 L CB -1.035 40.993 42.059 -0.052 0.000 0.899 186 L HN 0.438 nan 8.230 nan 0.000 0.433 187 W N 0.094 121.269 121.300 -0.208 0.000 2.358 187 W HA -0.303 4.357 4.660 -0.000 0.000 0.303 187 W C 2.607 178.920 176.519 -0.344 0.000 1.208 187 W CA 1.484 58.693 57.345 -0.227 0.000 1.274 187 W CB -0.618 28.739 29.460 -0.172 0.000 1.138 187 W HN 0.108 nan 8.180 nan 0.000 0.515 188 Y N 0.440 120.296 120.300 -0.741 0.000 2.181 188 Y HA -0.263 4.287 4.550 -0.000 0.000 0.288 188 Y C 2.369 177.725 175.900 -0.907 0.000 1.146 188 Y CA 2.851 60.316 58.100 -1.058 0.000 1.164 188 Y CB -0.729 37.082 38.460 -1.081 0.000 0.982 188 Y HN -0.151 nan 8.280 nan 0.000 0.515 189 V N 0.997 120.502 119.914 -0.681 0.000 2.358 189 V HA -0.266 3.854 4.120 -0.000 0.000 0.246 189 V C 2.505 178.278 176.094 -0.535 0.000 1.047 189 V CA 2.158 64.141 62.300 -0.528 0.000 1.035 189 V CB -0.655 30.951 31.823 -0.362 0.000 0.658 189 V HN 0.320 nan 8.190 nan 0.000 0.452 190 K N 1.329 121.429 120.400 -0.500 0.000 2.097 190 K HA -0.249 4.071 4.320 -0.000 0.000 0.206 190 K C 2.087 178.349 176.600 -0.563 0.000 1.049 190 K CA 2.257 58.286 56.287 -0.431 0.000 0.933 190 K CB -0.166 32.151 32.500 -0.304 0.000 0.717 190 K HN 0.710 nan 8.250 nan 0.000 0.442 191 Q N -0.763 118.549 119.800 -0.812 0.000 2.472 191 Q HA 0.021 4.361 4.340 -0.000 0.000 0.208 191 Q C 1.430 176.898 176.000 -0.887 0.000 0.958 191 Q CA 0.909 56.227 55.803 -0.808 0.000 0.932 191 Q CB -0.450 27.626 28.738 -1.103 0.000 1.007 191 Q HN 0.153 nan 8.270 nan 0.000 0.508 192 C N 0.386 119.025 119.300 -1.102 0.000 2.754 192 C HA 0.611 5.071 4.460 -0.000 0.000 0.276 192 C C 1.528 175.788 174.990 -1.216 0.000 1.264 192 C CA 0.120 58.106 59.018 -1.720 0.000 1.700 192 C CB -0.959 25.799 27.740 -1.638 0.000 1.885 192 C HN 0.834 nan 8.230 nan 0.000 0.607 193 G N 0.132 108.529 108.800 -0.671 0.000 2.157 193 G HA2 0.281 4.241 3.960 -0.000 0.000 0.239 193 G HA3 0.281 4.241 3.960 -0.000 0.000 0.239 193 G C 0.481 175.222 174.900 -0.264 0.000 0.982 193 G CA 0.035 44.912 45.100 -0.371 0.000 0.650 193 G HN 1.650 nan 8.290 nan 0.000 0.527 194 G N -2.054 106.570 108.800 -0.293 0.000 2.566 194 G HA2 0.324 4.284 3.960 -0.000 0.000 0.599 194 G HA3 0.324 4.284 3.960 -0.000 0.000 0.599 194 G C 0.996 175.853 174.900 -0.071 0.000 1.292 194 G CA 1.008 46.005 45.100 -0.172 0.000 0.922 194 G HN 1.835 nan 8.290 nan 0.000 0.514 195 T N -3.223 111.342 114.554 0.018 0.000 2.777 195 T HA -0.045 4.305 4.350 -0.000 0.000 0.266 195 T C 2.310 177.084 174.700 0.123 0.000 1.040 195 T CA 2.809 65.006 62.100 0.161 0.000 1.141 195 T CB -0.598 68.342 68.868 0.120 0.000 0.868 195 T HN 0.843 nan 8.240 nan 0.000 0.444 196 T N 1.243 115.821 114.554 0.040 0.000 2.777 196 T HA 0.035 4.385 4.350 -0.000 0.000 0.266 196 T C 2.123 176.801 174.700 -0.036 0.000 1.040 196 T CA 1.310 63.394 62.100 -0.026 0.000 1.141 196 T CB -0.253 68.607 68.868 -0.014 0.000 0.868 196 T HN 0.313 nan 8.240 nan 0.000 0.444 197 R N 1.011 121.497 120.500 -0.022 0.000 2.090 197 R HA 0.197 4.537 4.340 -0.000 0.000 0.228 197 R C 2.153 178.485 176.300 0.053 0.000 1.110 197 R CA 1.078 57.183 56.100 0.008 0.000 0.973 197 R CB -0.776 29.511 30.300 -0.023 0.000 0.869 197 R HN 0.426 nan 8.270 nan 0.000 0.440 198 I N -0.476 120.094 120.570 -0.000 0.000 2.546 198 I HA -0.124 4.046 4.170 -0.000 0.000 0.255 198 I C 1.214 177.375 176.117 0.073 0.000 1.163 198 I CA 0.870 62.199 61.300 0.047 0.000 1.457 198 I CB 0.155 38.128 38.000 -0.044 0.000 1.092 198 I HN 0.223 nan 8.210 nan 0.000 0.434 199 I N -0.229 120.366 120.570 0.041 0.000 3.603 199 I HA 0.075 4.245 4.170 -0.000 0.000 0.297 199 I C 1.063 177.128 176.117 -0.087 0.000 1.269 199 I CA 0.452 61.732 61.300 -0.033 0.000 1.361 199 I CB -0.021 37.969 38.000 -0.016 0.000 1.063 199 I HN -0.034 nan 8.210 nan 0.000 0.448 200 S N -0.393 115.263 115.700 -0.074 0.000 2.601 200 S HA 0.225 4.695 4.470 -0.000 0.000 0.271 200 S C 1.232 175.793 174.600 -0.065 0.000 1.305 200 S CA -0.206 57.944 58.200 -0.084 0.000 1.022 200 S CB 1.422 64.575 63.200 -0.079 0.000 0.940 200 S HN 0.262 nan 8.310 nan 0.000 0.525 201 T N 1.871 116.380 114.554 -0.076 0.000 3.065 201 T HA 0.042 4.392 4.350 -0.000 0.000 0.234 201 T C 0.531 175.178 174.700 -0.088 0.000 1.017 201 T CA 0.584 62.623 62.100 -0.103 0.000 1.292 201 T CB -0.349 68.453 68.868 -0.110 0.000 1.005 201 T HN 0.609 nan 8.240 nan 0.000 0.423 202 T N 3.768 118.278 114.554 -0.073 0.000 2.831 202 T HA 0.109 4.459 4.350 -0.000 0.000 0.291 202 T C 0.662 175.332 174.700 -0.049 0.000 0.981 202 T CA 0.325 62.391 62.100 -0.057 0.000 1.174 202 T CB -0.182 68.659 68.868 -0.045 0.000 0.929 202 T HN 0.499 nan 8.240 nan 0.000 0.532 203 N N 0.977 119.650 118.700 -0.045 0.000 2.776 203 N HA -0.146 4.594 4.740 -0.000 0.000 0.250 203 N C 0.172 175.670 175.510 -0.020 0.000 1.112 203 N CA 1.378 54.410 53.050 -0.030 0.000 0.733 203 N CB -1.068 37.407 38.487 -0.020 0.000 1.097 203 N HN 0.952 nan 8.380 nan 0.000 0.558 204 G N -2.877 105.903 108.800 -0.034 0.000 3.058 204 G HA2 0.573 4.533 3.960 -0.000 0.000 0.282 204 G HA3 0.573 4.533 3.960 -0.000 0.000 0.282 204 G C 0.952 175.828 174.900 -0.040 0.000 1.248 204 G CA 0.023 45.126 45.100 0.005 0.000 0.822 204 G HN 0.290 nan 8.290 nan 0.000 0.579 205 G N -0.845 107.966 108.800 0.019 0.000 2.443 205 G HA2 0.021 3.981 3.960 -0.000 0.000 0.219 205 G HA3 0.021 3.981 3.960 -0.000 0.000 0.219 205 G C 1.184 176.009 174.900 -0.125 0.000 1.131 205 G CA 0.884 45.900 45.100 -0.140 0.000 0.775 205 G HN 0.393 nan 8.290 nan 0.000 0.547 206 Q N -0.185 119.540 119.800 -0.125 0.000 2.212 206 Q HA 0.264 4.604 4.340 -0.000 0.000 0.213 206 Q C 1.649 177.520 176.000 -0.215 0.000 0.874 206 Q CA -0.096 55.547 55.803 -0.266 0.000 0.965 206 Q CB 0.655 29.122 28.738 -0.451 0.000 1.074 206 Q HN 0.637 nan 8.270 nan 0.000 0.473 207 E N 0.385 120.494 120.200 -0.152 0.000 2.106 207 E HA -0.061 4.289 4.350 -0.000 0.000 0.192 207 E C -0.002 176.510 176.600 -0.147 0.000 0.984 207 E CA 0.706 57.024 56.400 -0.137 0.000 0.806 207 E CB 0.445 30.070 29.700 -0.125 0.000 0.750 207 E HN 0.158 nan 8.360 nan 0.000 0.458 208 R N -0.764 119.632 120.500 -0.173 0.000 2.836 208 R HA 0.456 4.796 4.340 -0.000 0.000 0.269 208 R C -1.087 175.006 176.300 -0.346 0.000 1.010 208 R CA -0.739 55.186 56.100 -0.291 0.000 0.930 208 R CB 1.997 32.100 30.300 -0.329 0.000 1.218 208 R HN -0.176 nan 8.270 nan 0.000 0.473 209 K N 0.580 120.612 120.400 -0.614 0.000 2.400 209 K HA 0.433 4.753 4.320 -0.000 0.000 0.246 209 K C -1.146 175.134 176.600 -0.534 0.000 0.995 209 K CA -0.679 55.262 56.287 -0.577 0.000 0.840 209 K CB 1.540 33.759 32.500 -0.468 0.000 1.293 209 K HN 0.240 nan 8.250 nan 0.000 0.445 210 F N 1.127 121.017 119.950 -0.101 0.000 2.410 210 F HA 0.150 4.677 4.527 -0.000 0.000 0.348 210 F C 0.454 176.305 175.800 0.084 0.000 1.106 210 F CA -0.884 57.103 58.000 -0.023 0.000 1.163 210 F CB 0.969 39.930 39.000 -0.064 0.000 1.129 210 F HN 0.023 nan 8.300 nan 0.000 0.516 211 V N 3.831 123.947 119.914 0.337 0.000 2.557 211 V HA 0.173 4.293 4.120 -0.000 0.000 0.301 211 V C 1.003 176.985 176.094 -0.185 0.000 1.026 211 V CA 1.358 63.775 62.300 0.195 0.000 1.137 211 V CB 0.135 32.054 31.823 0.160 0.000 0.917 211 V HN 1.110 nan 8.190 nan 0.000 0.484 212 G N 3.217 111.475 108.800 -0.903 0.000 2.225 212 G HA2 0.114 4.074 3.960 -0.000 0.000 0.254 212 G HA3 0.114 4.074 3.960 -0.000 0.000 0.254 212 G C 0.805 175.184 174.900 -0.868 0.000 0.988 212 G CA -0.023 44.301 45.100 -1.295 0.000 0.625 212 G HN 2.480 nan 8.290 nan 0.000 0.527 213 G N -1.616 106.959 108.800 -0.376 0.000 2.742 213 G HA2 0.409 4.369 3.960 -0.000 0.000 0.686 213 G HA3 0.409 4.369 3.960 -0.000 0.000 0.686 213 G C 0.708 175.620 174.900 0.021 0.000 1.220 213 G CA 0.821 45.891 45.100 -0.051 0.000 0.783 213 G HN 1.843 nan 8.290 nan 0.000 0.646 214 S N 0.154 115.922 115.700 0.113 0.000 2.489 214 S HA 0.150 4.620 4.470 -0.000 0.000 0.228 214 S C 2.477 177.065 174.600 -0.020 0.000 0.995 214 S CA 1.596 59.863 58.200 0.112 0.000 0.934 214 S CB 0.140 63.459 63.200 0.200 0.000 0.771 214 S HN 2.109 nan 8.310 nan 0.000 0.522 215 G N 1.397 110.197 108.800 0.000 0.000 2.479 215 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.220 215 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.220 215 G C 1.422 176.293 174.900 -0.047 0.000 1.115 215 G CA 0.546 45.652 45.100 0.010 0.000 0.757 215 G HN 0.624 nan 8.290 nan 0.000 0.560 216 Q N -0.268 119.470 119.800 -0.103 0.000 2.291 216 Q HA -0.036 4.304 4.340 -0.000 0.000 0.206 216 Q C 2.704 178.603 176.000 -0.167 0.000 0.976 216 Q CA 0.815 56.536 55.803 -0.138 0.000 0.875 216 Q CB -0.104 28.528 28.738 -0.178 0.000 0.927 216 Q HN 0.435 nan 8.270 nan 0.000 0.450 217 V N 0.085 119.871 119.914 -0.213 0.000 2.261 217 V HA -0.271 3.849 4.120 -0.000 0.000 0.246 217 V C 2.120 178.145 176.094 -0.115 0.000 1.047 217 V CA 2.070 64.245 62.300 -0.209 0.000 1.015 217 V CB -0.531 31.148 31.823 -0.239 0.000 0.642 217 V HN 0.289 nan 8.190 nan 0.000 0.446 218 S N -0.640 115.018 115.700 -0.071 0.000 2.368 218 S HA -0.198 4.272 4.470 -0.000 0.000 0.224 218 S C 1.929 176.505 174.600 -0.040 0.000 1.029 218 S CA 1.511 59.689 58.200 -0.036 0.000 0.988 218 S CB -0.263 62.937 63.200 0.001 0.000 0.838 218 S HN 0.680 nan 8.310 nan 0.000 0.462 219 E N 0.878 121.054 120.200 -0.040 0.000 2.077 219 E HA -0.087 4.263 4.350 -0.000 0.000 0.193 219 E C 2.338 178.906 176.600 -0.053 0.000 0.989 219 E CA 0.844 57.222 56.400 -0.036 0.000 0.800 219 E CB -0.062 29.617 29.700 -0.035 0.000 0.746 219 E HN 0.350 nan 8.360 nan 0.000 0.452 220 R N 0.155 120.611 120.500 -0.072 0.000 2.148 220 R HA 0.011 4.351 4.340 -0.000 0.000 0.223 220 R C 2.283 178.539 176.300 -0.075 0.000 1.088 220 R CA 0.705 56.760 56.100 -0.076 0.000 0.985 220 R CB -0.071 30.174 30.300 -0.092 0.000 0.880 220 R HN 0.215 nan 8.270 nan 0.000 0.451 221 I N 0.560 121.084 120.570 -0.077 0.000 2.353 221 I HA -0.239 3.931 4.170 -0.000 0.000 0.248 221 I C 2.608 178.673 176.117 -0.087 0.000 1.119 221 I CA 0.987 62.239 61.300 -0.081 0.000 1.417 221 I CB -0.154 37.803 38.000 -0.072 0.000 1.078 221 I HN 0.185 nan 8.210 nan 0.000 0.421 222 M N 0.890 120.449 119.600 -0.068 0.000 2.149 222 M HA -0.250 4.230 4.480 -0.000 0.000 0.261 222 M C 1.609 177.870 176.300 -0.065 0.000 1.064 222 M CA 1.936 57.199 55.300 -0.063 0.000 1.102 222 M CB -0.188 32.387 32.600 -0.042 0.000 1.369 222 M HN 0.156 nan 8.290 nan 0.000 0.408 223 D N 0.658 121.022 120.400 -0.060 0.000 2.097 223 D HA -0.152 4.488 4.640 -0.000 0.000 0.195 223 D C 2.045 178.305 176.300 -0.066 0.000 0.989 223 D CA 1.452 55.420 54.000 -0.053 0.000 0.827 223 D CB -0.518 40.254 40.800 -0.047 0.000 0.966 223 D HN 0.422 nan 8.370 nan 0.000 0.456 224 L N 0.202 121.373 121.223 -0.086 0.000 2.017 224 L HA -0.141 4.199 4.340 -0.000 0.000 0.208 224 L C 2.533 179.295 176.870 -0.179 0.000 1.073 224 L CA 0.817 55.589 54.840 -0.114 0.000 0.745 224 L CB -0.385 41.597 42.059 -0.130 0.000 0.894 224 L HN 0.029 nan 8.230 nan 0.000 0.432 225 L N -0.980 120.121 121.223 -0.203 0.000 2.313 225 L HA 0.028 4.368 4.340 -0.000 0.000 0.214 225 L C 1.877 178.675 176.870 -0.120 0.000 1.119 225 L CA 0.539 55.231 54.840 -0.247 0.000 0.809 225 L CB -0.851 41.090 42.059 -0.197 0.000 0.933 225 L HN 0.493 nan 8.230 nan 0.000 0.449 226 G N 1.908 110.661 108.800 -0.077 0.000 2.672 226 G HA2 -0.486 3.474 3.960 -0.000 0.000 0.332 226 G HA3 -0.486 3.474 3.960 -0.000 0.000 0.332 226 G C 0.545 175.429 174.900 -0.026 0.000 1.213 226 G CA 0.790 45.867 45.100 -0.038 0.000 0.980 226 G HN 0.549 nan 8.290 nan 0.000 0.548 227 D N 0.991 121.386 120.400 -0.009 0.000 2.328 227 D HA 0.145 4.785 4.640 -0.000 0.000 0.226 227 D C 2.026 178.331 176.300 0.009 0.000 1.066 227 D CA 0.476 54.478 54.000 0.003 0.000 0.861 227 D CB -0.286 40.523 40.800 0.016 0.000 0.912 227 D HN 0.634 nan 8.370 nan 0.000 0.521 228 R N -0.035 120.462 120.500 -0.004 0.000 2.237 228 R HA 0.084 4.424 4.340 -0.000 0.000 0.219 228 R C 0.212 176.494 176.300 -0.030 0.000 1.080 228 R CA 0.367 56.464 56.100 -0.004 0.000 0.995 228 R CB 0.159 30.452 30.300 -0.012 0.000 0.875 228 R HN 0.099 nan 8.270 nan 0.000 0.462 229 V N 2.699 122.590 119.914 -0.039 0.000 2.383 229 V HA 0.143 4.263 4.120 -0.000 0.000 0.275 229 V C -0.151 175.918 176.094 -0.042 0.000 1.036 229 V CA -0.506 61.763 62.300 -0.051 0.000 0.889 229 V CB 1.473 33.267 31.823 -0.049 0.000 0.985 229 V HN 0.037 nan 8.190 nan 0.000 0.459 230 K N 6.423 126.783 120.400 -0.065 0.000 2.389 230 K HA 0.542 4.862 4.320 -0.000 0.000 0.261 230 K C -0.746 175.817 176.600 -0.062 0.000 1.014 230 K CA -0.338 55.920 56.287 -0.048 0.000 0.920 230 K CB 1.904 34.363 32.500 -0.069 0.000 1.149 230 K HN 0.500 nan 8.250 nan 0.000 0.444 231 L N 1.654 122.853 121.223 -0.040 0.000 2.418 231 L HA 0.188 4.528 4.340 -0.000 0.000 0.265 231 L C 0.693 177.534 176.870 -0.049 0.000 1.143 231 L CA -0.168 54.644 54.840 -0.047 0.000 0.809 231 L CB 0.219 42.261 42.059 -0.029 0.000 1.124 231 L HN 0.700 nan 8.230 nan 0.000 0.456 232 E N 0.595 120.751 120.200 -0.073 0.000 2.416 232 E HA -0.220 4.130 4.350 -0.000 0.000 0.249 232 E C -0.537 176.020 176.600 -0.072 0.000 1.124 232 E CA 0.265 56.621 56.400 -0.072 0.000 0.732 232 E CB -0.817 28.863 29.700 -0.033 0.000 1.286 232 E HN 0.386 nan 8.360 nan 0.000 0.394 233 R N 0.114 120.552 120.500 -0.103 0.000 2.651 233 R HA 0.259 4.599 4.340 -0.000 0.000 0.282 233 R C -2.748 173.468 176.300 -0.140 0.000 1.565 233 R CA -1.992 54.052 56.100 -0.092 0.000 1.661 233 R CB 0.640 30.886 30.300 -0.089 0.000 1.189 233 R HN -0.022 nan 8.270 nan 0.000 0.621 234 P HA 0.021 nan 4.420 nan 0.000 0.271 234 P C -0.314 176.941 177.300 -0.075 0.000 1.226 234 P CA -0.208 62.782 63.100 -0.184 0.000 0.765 234 P CB 0.927 32.539 31.700 -0.147 0.000 0.835 235 V N 5.646 125.525 119.914 -0.058 0.000 2.521 235 V HA 0.036 4.156 4.120 -0.000 0.000 0.286 235 V C 1.710 177.817 176.094 0.020 0.000 1.034 235 V CA 0.493 62.782 62.300 -0.019 0.000 1.045 235 V CB 0.212 32.015 31.823 -0.034 0.000 0.974 235 V HN 0.545 nan 8.190 nan 0.000 0.480 236 I N 2.024 122.620 120.570 0.043 0.000 4.323 236 I HA 0.447 4.617 4.170 -0.000 0.000 0.328 236 I C 0.024 176.233 176.117 0.154 0.000 1.310 236 I CA 0.123 61.479 61.300 0.093 0.000 1.186 236 I CB 0.613 38.648 38.000 0.058 0.000 1.130 236 I HN 0.509 nan 8.210 nan 0.000 0.411 237 Y N 1.676 121.920 120.300 -0.093 0.000 2.480 237 Y HA 0.678 5.228 4.550 -0.000 0.000 0.329 237 Y C -1.997 173.816 175.900 -0.146 0.000 1.127 237 Y CA -1.585 56.439 58.100 -0.127 0.000 1.037 237 Y CB 1.621 40.042 38.460 -0.065 0.000 1.320 237 Y HN -0.011 nan 8.280 nan 0.000 0.446 238 I N 5.789 125.947 120.570 -0.686 0.000 2.478 238 I HA 0.308 4.478 4.170 -0.000 0.000 0.287 238 I C -1.471 174.252 176.117 -0.658 0.000 1.042 238 I CA -0.673 60.300 61.300 -0.546 0.000 1.067 238 I CB 1.870 39.689 38.000 -0.302 0.000 1.233 238 I HN 0.531 nan 8.210 nan 0.000 0.431 239 D N 6.098 126.178 120.400 -0.532 0.000 2.492 239 D HA 0.285 4.925 4.640 -0.000 0.000 0.248 239 D C -0.352 175.872 176.300 -0.126 0.000 1.101 239 D CA -0.221 53.566 54.000 -0.355 0.000 0.840 239 D CB 1.719 42.320 40.800 -0.332 0.000 1.209 239 D HN 0.505 nan 8.370 nan 0.000 0.524 240 Q N 1.817 121.585 119.800 -0.052 0.000 2.157 240 Q HA 0.087 4.427 4.340 -0.000 0.000 0.229 240 Q C 1.044 177.042 176.000 -0.005 0.000 0.827 240 Q CA -0.002 55.790 55.803 -0.019 0.000 1.055 240 Q CB 0.851 29.594 28.738 0.009 0.000 1.157 240 Q HN 0.578 nan 8.270 nan 0.000 0.482 241 T N -2.667 111.888 114.554 0.002 0.000 3.113 241 T HA 0.146 4.496 4.350 -0.000 0.000 0.256 241 T C 0.900 175.606 174.700 0.009 0.000 1.131 241 T CA 0.146 62.256 62.100 0.015 0.000 1.074 241 T CB 0.309 69.196 68.868 0.032 0.000 0.944 241 T HN 0.065 nan 8.240 nan 0.000 0.516 242 R N 0.215 120.715 120.500 0.000 0.000 2.944 242 R HA 0.486 4.826 4.340 -0.000 0.000 0.233 242 R C 1.387 177.677 176.300 -0.017 0.000 1.346 242 R CA -0.762 55.336 56.100 -0.003 0.000 1.082 242 R CB 0.806 31.107 30.300 0.002 0.000 1.434 242 R HN 0.125 nan 8.270 nan 0.000 0.510 243 E N 0.710 120.899 120.200 -0.019 0.000 2.038 243 E HA -0.157 4.193 4.350 -0.000 0.000 0.195 243 E C -0.246 176.322 176.600 -0.054 0.000 1.000 243 E CA 1.312 57.693 56.400 -0.031 0.000 0.803 243 E CB 0.153 29.838 29.700 -0.025 0.000 0.750 243 E HN 0.289 nan 8.360 nan 0.000 0.448 244 N N -0.082 118.589 118.700 -0.048 0.000 2.443 244 N HA 0.203 4.943 4.740 -0.000 0.000 0.293 244 N C -1.016 174.464 175.510 -0.051 0.000 1.159 244 N CA -0.477 52.534 53.050 -0.064 0.000 0.904 244 N CB 1.924 40.383 38.487 -0.045 0.000 1.214 244 N HN -0.134 nan 8.380 nan 0.000 0.513 245 V N 1.590 121.468 119.914 -0.060 0.000 2.614 245 V HA 0.207 4.327 4.120 -0.000 0.000 0.291 245 V C 0.384 176.466 176.094 -0.021 0.000 1.049 245 V CA -0.329 61.946 62.300 -0.042 0.000 1.038 245 V CB 0.216 32.018 31.823 -0.035 0.000 0.980 245 V HN 0.359 nan 8.190 nan 0.000 0.481 246 L N 5.447 126.651 121.223 -0.032 0.000 2.313 246 L HA 0.595 4.935 4.340 -0.000 0.000 0.283 246 L C -0.674 176.181 176.870 -0.024 0.000 1.013 246 L CA -0.566 54.272 54.840 -0.003 0.000 0.816 246 L CB 1.872 43.940 42.059 0.014 0.000 1.236 246 L HN 0.366 nan 8.230 nan 0.000 0.419 247 V N 2.869 122.815 119.914 0.054 0.000 2.444 247 V HA 0.347 4.466 4.120 -0.000 0.000 0.294 247 V C -0.265 175.923 176.094 0.157 0.000 1.022 247 V CA -0.614 61.720 62.300 0.058 0.000 0.850 247 V CB 1.798 33.656 31.823 0.058 0.000 0.992 247 V HN 0.724 nan 8.190 nan 0.000 0.426 248 E N 2.957 123.248 120.200 0.152 0.000 2.179 248 E HA 0.616 4.966 4.350 -0.000 0.000 0.275 248 E C -0.191 176.484 176.600 0.125 0.000 0.945 248 E CA -0.478 56.032 56.400 0.183 0.000 0.792 248 E CB 1.773 31.614 29.700 0.235 0.000 1.125 248 E HN 0.831 nan 8.360 nan 0.000 0.397 249 T N 1.105 115.727 114.554 0.113 0.000 2.927 249 T HA 0.173 4.523 4.350 -0.000 0.000 0.281 249 T C 1.014 175.679 174.700 -0.060 0.000 0.998 249 T CA -0.826 61.294 62.100 0.034 0.000 1.019 249 T CB 1.096 69.999 68.868 0.057 0.000 1.061 249 T HN 0.456 nan 8.240 nan 0.000 0.518 250 L N 1.337 122.498 121.223 -0.104 0.000 2.131 250 L HA -0.014 4.326 4.340 -0.000 0.000 0.210 250 L C 1.941 178.526 176.870 -0.476 0.000 1.092 250 L CA 1.771 56.490 54.840 -0.202 0.000 0.759 250 L CB -0.912 41.087 42.059 -0.100 0.000 0.903 250 L HN 0.890 nan 8.230 nan 0.000 0.435 251 N N -1.156 117.361 118.700 -0.306 0.000 2.362 251 N HA -0.123 4.617 4.740 -0.000 0.000 0.211 251 N C -0.385 175.032 175.510 -0.155 0.000 1.170 251 N CA 0.383 53.275 53.050 -0.265 0.000 0.828 251 N CB -0.839 37.622 38.487 -0.043 0.000 1.034 251 N HN 0.623 nan 8.380 nan 0.000 0.475 252 H N -1.519 117.568 119.070 0.029 0.000 2.931 252 H HA -0.118 4.438 4.556 -0.000 0.000 0.290 252 H C -0.889 174.445 175.328 0.010 0.000 1.264 252 H CA 0.819 56.875 56.048 0.013 0.000 1.140 252 H CB -2.034 27.727 29.762 -0.003 0.000 1.343 252 H HN 0.505 nan 8.280 nan 0.000 0.403 253 E N 0.155 120.409 120.200 0.091 0.000 2.221 253 E HA 0.570 4.920 4.350 -0.000 0.000 0.268 253 E C -0.279 176.333 176.600 0.019 0.000 0.933 253 E CA -1.274 55.144 56.400 0.029 0.000 0.809 253 E CB 1.708 31.463 29.700 0.092 0.000 1.190 253 E HN 0.089 nan 8.360 nan 0.000 0.406 254 M N 2.509 122.015 119.600 -0.157 0.000 2.321 254 M HA 0.375 4.855 4.480 -0.000 0.000 0.315 254 M C -2.094 174.015 176.300 -0.319 0.000 1.052 254 M CA -0.446 54.800 55.300 -0.090 0.000 0.936 254 M CB 0.959 33.537 32.600 -0.038 0.000 1.639 254 M HN 0.409 nan 8.290 nan 0.000 0.433 255 Y N 1.575 121.884 120.300 0.014 0.000 2.446 255 Y HA 0.620 5.170 4.550 -0.000 0.000 0.345 255 Y C -0.485 175.416 175.900 0.001 0.000 0.984 255 Y CA -0.651 57.453 58.100 0.006 0.000 1.058 255 Y CB 1.872 40.333 38.460 0.002 0.000 1.220 255 Y HN 0.618 nan 8.280 nan 0.000 0.455 256 E N 1.751 122.016 120.200 0.109 0.000 2.210 256 E HA 0.844 5.194 4.350 -0.000 0.000 0.266 256 E C -1.565 175.069 176.600 0.057 0.000 0.883 256 E CA -0.693 55.741 56.400 0.057 0.000 0.761 256 E CB 1.326 31.035 29.700 0.015 0.000 1.156 256 E HN 0.761 nan 8.360 nan 0.000 0.412 257 A N 3.558 126.395 122.820 0.028 0.000 2.593 257 A HA 0.382 4.702 4.320 -0.000 0.000 0.290 257 A C -0.175 177.376 177.584 -0.054 0.000 1.126 257 A CA -0.658 51.389 52.037 0.015 0.000 0.695 257 A CB 1.499 20.529 19.000 0.049 0.000 1.290 257 A HN 0.692 nan 8.150 nan 0.000 0.414 258 K N -0.849 119.499 120.400 -0.086 0.000 2.167 258 K HA 0.144 4.464 4.320 -0.000 0.000 0.203 258 K C -0.677 175.572 176.600 -0.585 0.000 1.052 258 K CA 1.393 57.495 56.287 -0.308 0.000 0.956 258 K CB -0.019 32.317 32.500 -0.273 0.000 0.735 258 K HN 0.592 nan 8.250 nan 0.000 0.451 259 Y N -1.392 118.929 120.300 0.035 0.000 2.655 259 Y HA 0.407 4.957 4.550 -0.000 0.000 0.336 259 Y C -0.656 175.271 175.900 0.045 0.000 1.154 259 Y CA -1.300 56.840 58.100 0.066 0.000 1.055 259 Y CB 1.823 40.318 38.460 0.059 0.000 1.295 259 Y HN -0.434 nan 8.280 nan 0.000 0.465 260 V N 2.581 122.634 119.914 0.232 0.000 2.876 260 V HA 0.499 4.619 4.120 -0.000 0.000 0.312 260 V C -0.803 175.339 176.094 0.080 0.000 1.085 260 V CA -0.896 61.467 62.300 0.104 0.000 0.945 260 V CB 2.328 34.178 31.823 0.046 0.000 1.017 260 V HN 0.516 nan 8.190 nan 0.000 0.428 261 I N 2.356 122.939 120.570 0.022 0.000 2.378 261 I HA 0.356 4.526 4.170 -0.000 0.000 0.291 261 I C 0.128 176.220 176.117 -0.041 0.000 0.992 261 I CA -0.235 61.051 61.300 -0.022 0.000 1.154 261 I CB 1.977 39.975 38.000 -0.003 0.000 1.315 261 I HN 0.588 nan 8.210 nan 0.000 0.448 262 S N 5.299 120.931 115.700 -0.113 0.000 2.399 262 S HA 0.537 5.007 4.470 -0.000 0.000 0.301 262 S C 0.359 175.029 174.600 0.117 0.000 1.093 262 S CA -0.424 57.788 58.200 0.020 0.000 1.077 262 S CB 0.515 63.753 63.200 0.063 0.000 0.980 262 S HN 0.711 nan 8.310 nan 0.000 0.494 263 A N 5.926 128.809 122.820 0.105 0.000 2.911 263 A HA 0.473 4.793 4.320 -0.000 0.000 0.304 263 A C 0.245 177.905 177.584 0.127 0.000 1.144 263 A CA -0.678 51.428 52.037 0.115 0.000 0.988 263 A CB -0.494 18.549 19.000 0.072 0.000 1.141 263 A HN 0.901 nan 8.150 nan 0.000 0.552 264 I N -3.933 116.732 120.570 0.157 0.000 2.797 264 I HA 0.698 4.868 4.170 -0.000 0.000 0.307 264 I C -2.921 173.293 176.117 0.161 0.000 1.033 264 I CA -3.084 58.306 61.300 0.150 0.000 1.071 264 I CB 1.538 39.628 38.000 0.151 0.000 1.255 264 I HN -0.157 nan 8.210 nan 0.000 0.445 265 P HA 0.138 nan 4.420 nan 0.000 0.266 265 P C -2.191 175.165 177.300 0.093 0.000 1.193 265 P CA -0.655 62.515 63.100 0.117 0.000 0.770 265 P CB -0.006 31.748 31.700 0.091 0.000 0.836 266 P HA -0.188 nan 4.420 nan 0.000 0.216 266 P C 1.591 178.873 177.300 -0.029 0.000 1.153 266 P CA 1.796 64.903 63.100 0.012 0.000 0.858 266 P CB -0.197 31.479 31.700 -0.040 0.000 0.789 267 T N -1.421 113.091 114.554 -0.071 0.000 2.962 267 T HA -0.040 4.310 4.350 -0.000 0.000 0.270 267 T C 1.478 176.166 174.700 -0.019 0.000 1.088 267 T CA 0.663 62.708 62.100 -0.091 0.000 1.127 267 T CB -0.800 67.978 68.868 -0.150 0.000 0.883 267 T HN -0.042 nan 8.240 nan 0.000 0.493 268 L N 0.422 121.664 121.223 0.032 0.000 2.551 268 L HA 0.162 4.502 4.340 -0.000 0.000 0.228 268 L C 2.737 179.681 176.870 0.123 0.000 1.153 268 L CA 0.582 55.468 54.840 0.077 0.000 0.851 268 L CB -0.633 41.497 42.059 0.118 0.000 0.959 268 L HN 0.349 nan 8.230 nan 0.000 0.451 269 G N -0.012 108.872 108.800 0.140 0.000 2.501 269 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.220 269 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.220 269 G C 1.582 176.624 174.900 0.238 0.000 1.114 269 G CA 0.310 45.555 45.100 0.242 0.000 0.757 269 G HN 0.294 nan 8.290 nan 0.000 0.559 270 M N -0.024 119.638 119.600 0.103 0.000 2.374 270 M HA 0.021 4.501 4.480 -0.000 0.000 0.264 270 M C 2.015 178.330 176.300 0.024 0.000 1.067 270 M CA 0.962 56.294 55.300 0.053 0.000 1.103 270 M CB -0.041 32.551 32.600 -0.014 0.000 1.402 270 M HN 0.106 nan 8.290 nan 0.000 0.444 271 K N 0.410 120.847 120.400 0.062 0.000 2.525 271 K HA 0.180 4.500 4.320 -0.000 0.000 0.192 271 K C 0.161 176.804 176.600 0.071 0.000 1.029 271 K CA 0.453 56.780 56.287 0.067 0.000 1.029 271 K CB 0.128 32.703 32.500 0.125 0.000 0.814 271 K HN 0.353 nan 8.250 nan 0.000 0.503 272 I N 1.408 121.987 120.570 0.016 0.000 2.404 272 I HA 0.130 4.300 4.170 -0.000 0.000 0.293 272 I C 0.081 176.028 176.117 -0.284 0.000 0.992 272 I CA -0.739 60.474 61.300 -0.146 0.000 1.149 272 I CB 1.292 39.073 38.000 -0.365 0.000 1.315 272 I HN 0.057 nan 8.210 nan 0.000 0.446 273 H N 6.230 125.190 119.070 -0.183 0.000 2.562 273 H HA 0.330 4.886 4.556 -0.000 0.000 0.314 273 H C -1.063 174.174 175.328 -0.153 0.000 1.079 273 H CA -0.141 55.903 56.048 -0.006 0.000 1.349 273 H CB 1.166 31.008 29.762 0.134 0.000 1.432 273 H HN 0.321 nan 8.280 nan 0.000 0.479 274 F N 2.033 122.085 119.950 0.169 0.000 2.443 274 F HA 0.161 4.688 4.527 -0.000 0.000 0.335 274 F C 0.607 176.451 175.800 0.075 0.000 1.104 274 F CA -0.677 57.357 58.000 0.057 0.000 1.013 274 F CB 1.365 40.385 39.000 0.032 0.000 1.136 274 F HN 0.481 nan 8.300 nan 0.000 0.470 275 N N 4.350 123.132 118.700 0.138 0.000 2.410 275 N HA 0.426 5.166 4.740 -0.000 0.000 0.287 275 N C -3.025 172.531 175.510 0.077 0.000 1.044 275 N CA -2.350 50.777 53.050 0.128 0.000 0.881 275 N CB 2.107 40.696 38.487 0.169 0.000 1.405 275 N HN 0.054 nan 8.380 nan 0.000 0.490 276 P HA 0.253 nan 4.420 nan 0.000 0.271 276 P C -2.611 174.769 177.300 0.133 0.000 1.244 276 P CA -0.818 62.341 63.100 0.099 0.000 0.793 276 P CB -0.504 31.233 31.700 0.063 0.000 0.984 277 P HA 0.059 nan 4.420 nan 0.000 0.268 277 P C 0.104 177.424 177.300 0.033 0.000 1.208 277 P CA 0.234 63.401 63.100 0.112 0.000 0.777 277 P CB 0.169 31.913 31.700 0.074 0.000 0.875 278 L N 2.967 124.159 121.223 -0.051 0.000 2.482 278 L HA 0.147 4.487 4.340 -0.000 0.000 0.273 278 L C -1.655 175.157 176.870 -0.097 0.000 1.228 278 L CA -1.537 53.197 54.840 -0.176 0.000 0.827 278 L CB -0.696 41.157 42.059 -0.343 0.000 1.099 278 L HN 0.312 nan 8.230 nan 0.000 0.494 279 P HA -0.019 nan 4.420 nan 0.000 0.272 279 P C 0.623 177.886 177.300 -0.061 0.000 1.230 279 P CA -0.417 62.645 63.100 -0.063 0.000 0.788 279 P CB 0.463 32.125 31.700 -0.063 0.000 0.949 280 M N 1.475 121.053 119.600 -0.036 0.000 2.089 280 M HA -0.196 4.284 4.480 -0.000 0.000 0.257 280 M C 1.323 177.625 176.300 0.002 0.000 1.071 280 M CA 2.302 57.591 55.300 -0.019 0.000 1.096 280 M CB -0.596 31.996 32.600 -0.012 0.000 1.330 280 M HN 0.250 nan 8.290 nan 0.000 0.403 281 M N -0.959 118.641 119.600 -0.001 0.000 2.175 281 M HA -0.160 4.320 4.480 -0.000 0.000 0.264 281 M C 2.198 178.536 176.300 0.063 0.000 1.063 281 M CA 1.571 56.913 55.300 0.069 0.000 1.119 281 M CB -1.428 31.160 32.600 -0.019 0.000 1.377 281 M HN 0.374 nan 8.290 nan 0.000 0.415 282 R N 0.310 120.771 120.500 -0.064 0.000 2.090 282 R HA -0.141 4.199 4.340 -0.000 0.000 0.228 282 R C 1.983 178.186 176.300 -0.161 0.000 1.110 282 R CA 1.440 57.450 56.100 -0.149 0.000 0.973 282 R CB -0.155 29.999 30.300 -0.242 0.000 0.869 282 R HN 0.308 nan 8.270 nan 0.000 0.440 283 N N 0.623 119.247 118.700 -0.128 0.000 2.094 283 N HA -0.220 4.520 4.740 -0.000 0.000 0.191 283 N C 1.539 176.977 175.510 -0.120 0.000 1.023 283 N CA 1.872 54.854 53.050 -0.114 0.000 0.857 283 N CB 0.025 38.472 38.487 -0.067 0.000 1.013 283 N HN 0.349 nan 8.380 nan 0.000 0.426 284 Q N -0.731 119.006 119.800 -0.105 0.000 2.187 284 Q HA -0.044 4.296 4.340 -0.000 0.000 0.199 284 Q C 2.098 177.843 176.000 -0.425 0.000 0.957 284 Q CA 0.766 56.450 55.803 -0.199 0.000 0.857 284 Q CB -0.089 28.600 28.738 -0.081 0.000 0.929 284 Q HN 0.525 nan 8.270 nan 0.000 0.453 285 M N 1.363 120.711 119.600 -0.419 0.000 2.108 285 M HA -0.163 4.317 4.480 -0.000 0.000 0.261 285 M C 1.966 178.027 176.300 -0.399 0.000 1.066 285 M CA 1.569 56.554 55.300 -0.525 0.000 1.107 285 M CB -0.144 32.331 32.600 -0.209 0.000 1.356 285 M HN 0.280 nan 8.290 nan 0.000 0.406 286 I N -1.904 118.496 120.570 -0.282 0.000 3.444 286 I HA -0.014 4.156 4.170 -0.000 0.000 0.287 286 I C 1.344 177.327 176.117 -0.223 0.000 1.302 286 I CA 1.102 62.264 61.300 -0.229 0.000 1.368 286 I CB -0.878 37.031 38.000 -0.152 0.000 1.048 286 I HN 0.299 nan 8.210 nan 0.000 0.487 287 T N -2.588 111.811 114.554 -0.258 0.000 3.069 287 T HA 0.289 4.639 4.350 -0.000 0.000 0.252 287 T C 1.458 175.983 174.700 -0.292 0.000 1.053 287 T CA -0.219 61.741 62.100 -0.233 0.000 0.964 287 T CB -0.031 68.724 68.868 -0.189 0.000 1.005 287 T HN 0.415 nan 8.240 nan 0.000 0.532 288 R N 0.940 121.205 120.500 -0.392 0.000 2.472 288 R HA 0.317 4.657 4.340 -0.000 0.000 0.279 288 R C -0.069 175.906 176.300 -0.542 0.000 0.953 288 R CA 0.014 55.855 56.100 -0.431 0.000 1.088 288 R CB 1.297 31.282 30.300 -0.524 0.000 1.197 288 R HN 0.430 nan 8.270 nan 0.000 0.536 289 V N -0.719 118.852 119.914 -0.572 0.000 2.384 289 V HA 0.451 4.571 4.120 -0.000 0.000 0.257 289 V C -2.656 173.059 176.094 -0.631 0.000 0.969 289 V CA -2.317 59.519 62.300 -0.774 0.000 0.910 289 V CB 0.579 31.921 31.823 -0.802 0.000 1.150 289 V HN -0.113 nan 8.190 nan 0.000 0.481 290 P HA 0.468 nan 4.420 nan 0.000 0.274 290 P C -0.625 176.341 177.300 -0.558 0.000 1.246 290 P CA -0.265 62.489 63.100 -0.575 0.000 0.795 290 P CB 1.738 33.075 31.700 -0.605 0.000 1.006 291 L N 0.248 121.324 121.223 -0.245 0.000 2.352 291 L HA 0.588 4.928 4.340 -0.000 0.000 0.269 291 L C 1.457 178.382 176.870 0.091 0.000 1.034 291 L CA -0.138 54.664 54.840 -0.063 0.000 0.806 291 L CB 0.554 42.611 42.059 -0.003 0.000 1.244 291 L HN 0.478 nan 8.230 nan 0.000 0.447 292 G N -0.186 108.700 108.800 0.144 0.000 2.553 292 G HA2 0.456 4.416 3.960 -0.000 0.000 0.278 292 G HA3 0.456 4.416 3.960 -0.000 0.000 0.278 292 G C -0.821 174.086 174.900 0.012 0.000 1.349 292 G CA -0.347 44.809 45.100 0.094 0.000 1.037 292 G HN 0.487 nan 8.290 nan 0.000 0.508 293 S N -1.561 114.114 115.700 -0.042 0.000 2.594 293 S HA 0.604 5.074 4.470 -0.000 0.000 0.296 293 S C -1.152 173.426 174.600 -0.037 0.000 1.124 293 S CA -0.474 57.726 58.200 0.000 0.000 1.011 293 S CB 1.731 64.942 63.200 0.019 0.000 1.016 293 S HN 0.880 nan 8.310 nan 0.000 0.485 294 V N 4.750 124.694 119.914 0.050 0.000 3.023 294 V HA 0.552 4.672 4.120 -0.000 0.000 0.294 294 V C -1.961 174.286 176.094 0.255 0.000 1.324 294 V CA -0.698 61.660 62.300 0.096 0.000 0.979 294 V CB 1.740 33.540 31.823 -0.039 0.000 1.093 294 V HN 0.883 nan 8.190 nan 0.000 0.434 295 I N 5.188 125.920 120.570 0.269 0.000 2.378 295 I HA 0.526 4.696 4.170 -0.000 0.000 0.291 295 I C -0.232 176.128 176.117 0.405 0.000 0.992 295 I CA -0.642 60.837 61.300 0.298 0.000 1.154 295 I CB 1.736 39.852 38.000 0.193 0.000 1.315 295 I HN 0.550 nan 8.210 nan 0.000 0.448 296 K N 5.838 126.508 120.400 0.449 0.000 2.213 296 K HA 0.599 4.919 4.320 -0.000 0.000 0.270 296 K C -1.509 175.211 176.600 0.200 0.000 1.002 296 K CA -0.309 56.222 56.287 0.407 0.000 0.868 296 K CB 1.128 33.936 32.500 0.515 0.000 1.093 296 K HN 0.690 nan 8.250 nan 0.000 0.454 297 C N 5.157 124.529 119.300 0.122 0.000 2.441 297 C HA 0.585 5.045 4.460 -0.000 0.000 0.318 297 C C -1.000 174.039 174.990 0.081 0.000 1.222 297 C CA -1.021 58.064 59.018 0.112 0.000 1.474 297 C CB 0.119 28.027 27.740 0.280 0.000 2.125 297 C HN 0.744 nan 8.230 nan 0.000 0.479 298 I N 3.143 123.726 120.570 0.021 0.000 2.468 298 I HA 0.384 4.554 4.170 -0.000 0.000 0.285 298 I C -0.271 175.862 176.117 0.027 0.000 1.039 298 I CA -0.128 61.146 61.300 -0.043 0.000 1.074 298 I CB 1.481 39.412 38.000 -0.115 0.000 1.228 298 I HN 0.339 nan 8.210 nan 0.000 0.436 299 V N 6.797 126.725 119.914 0.024 0.000 2.383 299 V HA 0.363 4.483 4.120 -0.000 0.000 0.275 299 V C -0.526 175.377 176.094 -0.318 0.000 1.036 299 V CA -0.597 61.717 62.300 0.024 0.000 0.889 299 V CB 0.671 32.556 31.823 0.103 0.000 0.985 299 V HN 0.412 nan 8.190 nan 0.000 0.459 300 Y N 4.226 124.466 120.300 -0.101 0.000 2.376 300 Y HA 0.665 5.215 4.550 0.000 0.000 0.325 300 Y C -0.211 175.540 175.900 -0.247 0.000 1.199 300 Y CA -0.310 57.779 58.100 -0.018 0.000 1.206 300 Y CB 1.383 39.932 38.460 0.149 0.000 1.229 300 Y HN 0.528 nan 8.280 nan 0.000 0.480 301 Y N -0.450 120.097 120.300 0.413 0.000 2.638 301 Y HA 0.261 4.811 4.550 -0.000 0.000 0.339 301 Y C 1.039 177.086 175.900 0.245 0.000 1.084 301 Y CA -1.408 56.908 58.100 0.359 0.000 1.068 301 Y CB 1.846 40.615 38.460 0.516 0.000 1.294 301 Y HN 0.489 nan 8.280 nan 0.000 0.480 302 K N 0.141 120.767 120.400 0.375 0.000 2.097 302 K HA -0.042 4.278 4.320 -0.000 0.000 0.206 302 K C -0.311 176.363 176.600 0.125 0.000 1.049 302 K CA 1.526 57.925 56.287 0.186 0.000 0.933 302 K CB 0.273 32.852 32.500 0.131 0.000 0.717 302 K HN 0.555 nan 8.250 nan 0.000 0.442 303 E N -0.547 119.742 120.200 0.148 0.000 2.416 303 E HA 0.236 4.586 4.350 -0.000 0.000 0.273 303 E C -2.702 173.749 176.600 -0.249 0.000 0.935 303 E CA -2.233 54.154 56.400 -0.023 0.000 0.784 303 E CB 1.930 31.608 29.700 -0.036 0.000 1.301 303 E HN -0.029 nan 8.360 nan 0.000 0.454 304 P HA 0.134 nan 4.420 nan 0.000 0.225 304 P C 0.639 176.977 177.300 -1.604 0.000 1.830 304 P CA -0.172 61.964 63.100 -1.606 0.000 1.051 304 P CB -0.979 30.102 31.700 -1.031 0.000 1.929 305 F N 0.383 119.764 119.950 -0.949 0.000 2.269 305 F HA -0.090 4.437 4.527 -0.000 0.000 0.301 305 F C 1.797 177.436 175.800 -0.268 0.000 1.082 305 F CA -0.076 57.667 58.000 -0.428 0.000 1.360 305 F CB -1.756 37.122 39.000 -0.203 0.000 1.041 305 F HN 0.140 nan 8.300 nan 0.000 0.512 306 W N 1.427 122.388 121.300 -0.565 0.000 2.350 306 W HA -0.010 4.650 4.660 0.000 0.000 0.289 306 W C 1.999 178.471 176.519 -0.078 0.000 1.215 306 W CA 0.961 58.183 57.345 -0.206 0.000 1.236 306 W CB -1.149 28.131 29.460 -0.300 0.000 1.130 306 W HN -0.126 nan 8.180 nan 0.000 0.541 307 R N 1.237 121.511 120.500 -0.376 0.000 2.120 307 R HA -0.081 4.259 4.340 -0.000 0.000 0.234 307 R C 2.007 178.229 176.300 -0.130 0.000 1.123 307 R CA 1.686 57.674 56.100 -0.186 0.000 0.975 307 R CB -0.443 29.692 30.300 -0.275 0.000 0.866 307 R HN 0.299 nan 8.270 nan 0.000 0.446 308 K N 0.622 120.943 120.400 -0.131 0.000 2.280 308 K HA -0.141 4.179 4.320 -0.000 0.000 0.202 308 K C 1.645 178.186 176.600 -0.098 0.000 1.047 308 K CA 0.959 57.193 56.287 -0.088 0.000 0.942 308 K CB 0.027 32.497 32.500 -0.050 0.000 0.739 308 K HN 0.010 nan 8.250 nan 0.000 0.457 309 K N 1.163 121.485 120.400 -0.130 0.000 2.410 309 K HA -0.053 4.267 4.320 -0.000 0.000 0.200 309 K C -0.588 175.709 176.600 -0.504 0.000 1.023 309 K CA 0.187 56.303 56.287 -0.284 0.000 1.149 309 K CB 0.295 32.633 32.500 -0.271 0.000 0.859 309 K HN -0.060 nan 8.250 nan 0.000 0.514 310 D N -0.241 119.998 120.400 -0.268 0.000 2.800 310 D HA -0.239 4.401 4.640 -0.000 0.000 0.232 310 D C -1.494 174.718 176.300 -0.147 0.000 1.137 310 D CA 0.982 54.868 54.000 -0.191 0.000 0.718 310 D CB -1.358 39.346 40.800 -0.160 0.000 1.084 310 D HN 0.408 nan 8.370 nan 0.000 0.432 311 Y N -1.153 119.184 120.300 0.061 0.000 2.429 311 Y HA 0.353 4.903 4.550 -0.000 0.000 0.342 311 Y C 1.899 177.877 175.900 0.129 0.000 1.004 311 Y CA -0.927 57.210 58.100 0.062 0.000 1.075 311 Y CB 1.417 39.923 38.460 0.077 0.000 1.214 311 Y HN 0.218 nan 8.280 nan 0.000 0.455 312 C N -1.467 117.957 119.300 0.206 0.000 2.673 312 C HA 0.541 5.001 4.460 -0.000 0.000 0.264 312 C C 1.649 176.676 174.990 0.063 0.000 1.304 312 C CA 0.309 59.422 59.018 0.159 0.000 1.727 312 C CB -0.760 26.995 27.740 0.025 0.000 1.932 312 C HN 1.240 nan 8.230 nan 0.000 0.563 313 G N 0.286 108.960 108.800 -0.209 0.000 2.195 313 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.224 313 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.224 313 G C 0.032 174.590 174.900 -0.570 0.000 0.990 313 G CA 0.243 44.901 45.100 -0.737 0.000 0.639 313 G HN 0.573 nan 8.290 nan 0.000 0.514 314 T N 2.159 116.480 114.554 -0.387 0.000 2.814 314 T HA 0.636 4.986 4.350 -0.000 0.000 0.297 314 T C 0.304 174.798 174.700 -0.344 0.000 0.956 314 T CA 0.566 62.412 62.100 -0.424 0.000 1.123 314 T CB 0.870 69.547 68.868 -0.319 0.000 0.902 314 T HN 0.308 nan 8.240 nan 0.000 0.528 315 M N 3.852 123.231 119.600 -0.369 0.000 2.326 315 M HA 0.485 4.965 4.480 -0.000 0.000 0.292 315 M C -1.001 175.318 176.300 0.032 0.000 1.081 315 M CA -0.572 54.646 55.300 -0.136 0.000 0.919 315 M CB 2.396 34.887 32.600 -0.181 0.000 1.634 315 M HN 0.399 nan 8.290 nan 0.000 0.451 316 I N 4.546 125.294 120.570 0.296 0.000 2.355 316 I HA 0.475 4.645 4.170 -0.000 0.000 0.288 316 I C -0.899 175.490 176.117 0.452 0.000 0.999 316 I CA -0.420 61.159 61.300 0.466 0.000 1.163 316 I CB 1.078 39.374 38.000 0.494 0.000 1.316 316 I HN 0.611 nan 8.210 nan 0.000 0.454 317 I N 5.399 126.189 120.570 0.366 0.000 2.411 317 I HA 0.281 4.451 4.170 -0.000 0.000 0.284 317 I C -0.361 175.929 176.117 0.288 0.000 1.012 317 I CA -0.537 60.950 61.300 0.312 0.000 1.119 317 I CB 1.529 39.654 38.000 0.207 0.000 1.261 317 I HN 0.458 nan 8.210 nan 0.000 0.448 318 D N 4.278 124.846 120.400 0.280 0.000 2.348 318 D HA 0.672 5.312 4.640 -0.000 0.000 0.249 318 D C 0.204 176.612 176.300 0.180 0.000 1.110 318 D CA 0.600 54.732 54.000 0.221 0.000 0.967 318 D CB 1.849 42.766 40.800 0.195 0.000 1.139 318 D HN 0.806 nan 8.370 nan 0.000 0.466 319 G N 1.452 110.341 108.800 0.148 0.000 2.617 319 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.686 319 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.686 319 G C 0.420 175.394 174.900 0.122 0.000 1.214 319 G CA 0.175 45.348 45.100 0.123 0.000 0.796 319 G HN 0.453 nan 8.290 nan 0.000 0.654 320 E N 0.102 120.369 120.200 0.112 0.000 2.150 320 E HA -0.079 4.271 4.350 -0.000 0.000 0.193 320 E C 2.379 179.041 176.600 0.104 0.000 0.985 320 E CA 2.301 58.776 56.400 0.126 0.000 0.814 320 E CB -0.049 29.723 29.700 0.119 0.000 0.752 320 E HN 0.759 nan 8.360 nan 0.000 0.466 321 E N 0.016 120.267 120.200 0.086 0.000 2.274 321 E HA 0.010 4.360 4.350 -0.000 0.000 0.194 321 E C 0.382 177.016 176.600 0.056 0.000 0.996 321 E CA 0.580 57.020 56.400 0.067 0.000 0.840 321 E CB -0.208 29.527 29.700 0.058 0.000 0.772 321 E HN 0.201 nan 8.360 nan 0.000 0.491 322 A N 3.364 126.227 122.820 0.072 0.000 2.451 322 A HA 0.144 4.464 4.320 -0.000 0.000 0.266 322 A C -1.377 176.235 177.584 0.048 0.000 1.119 322 A CA -1.292 50.781 52.037 0.060 0.000 0.786 322 A CB 0.301 19.359 19.000 0.097 0.000 1.061 322 A HN 0.052 nan 8.150 nan 0.000 0.503 323 P HA -0.039 nan 4.420 nan 0.000 0.217 323 P C 0.242 177.576 177.300 0.056 0.000 1.151 323 P CA 0.944 64.053 63.100 0.016 0.000 0.828 323 P CB 0.084 31.777 31.700 -0.013 0.000 0.788 324 V N 0.242 120.208 119.914 0.088 0.000 2.417 324 V HA 0.479 4.599 4.120 -0.000 0.000 0.291 324 V C 1.111 177.325 176.094 0.201 0.000 1.024 324 V CA -0.106 62.296 62.300 0.170 0.000 0.861 324 V CB 1.282 33.238 31.823 0.221 0.000 0.985 324 V HN -0.008 nan 8.190 nan 0.000 0.436 325 A N 4.522 127.488 122.820 0.243 0.000 2.303 325 A HA 0.374 4.694 4.320 -0.000 0.000 0.217 325 A C 0.064 177.874 177.584 0.377 0.000 1.205 325 A CA 0.416 52.615 52.037 0.270 0.000 0.875 325 A CB 0.214 19.352 19.000 0.232 0.000 0.910 325 A HN 0.745 nan 8.150 nan 0.000 0.501 326 Y N -0.174 120.249 120.300 0.205 0.000 2.519 326 Y HA 0.484 5.034 4.550 0.000 0.000 0.336 326 Y C -0.506 175.447 175.900 0.088 0.000 1.089 326 Y CA -0.412 57.792 58.100 0.174 0.000 1.025 326 Y CB 1.586 40.195 38.460 0.248 0.000 1.318 326 Y HN 0.130 nan 8.280 nan 0.000 0.452 327 T N 3.767 118.005 114.554 -0.526 0.000 2.896 327 T HA 0.856 5.206 4.350 -0.000 0.000 0.297 327 T C -1.620 172.621 174.700 -0.765 0.000 1.108 327 T CA -0.826 60.951 62.100 -0.539 0.000 1.004 327 T CB 1.781 70.324 68.868 -0.541 0.000 1.159 327 T HN 0.625 nan 8.240 nan 0.000 0.499 328 L N 1.076 121.987 121.223 -0.520 0.000 2.371 328 L HA 0.531 4.871 4.340 -0.000 0.000 0.262 328 L C -0.657 176.010 176.870 -0.339 0.000 1.006 328 L CA -1.248 53.347 54.840 -0.407 0.000 0.818 328 L CB 2.175 44.072 42.059 -0.270 0.000 1.354 328 L HN 0.735 nan 8.230 nan 0.000 0.415 329 D N 0.763 121.002 120.400 -0.268 0.000 2.417 329 D HA -0.022 4.618 4.640 -0.000 0.000 0.250 329 D C -0.207 176.107 176.300 0.022 0.000 1.166 329 D CA 0.486 54.405 54.000 -0.135 0.000 0.881 329 D CB 1.253 42.089 40.800 0.061 0.000 1.164 329 D HN 0.488 nan 8.370 nan 0.000 0.467 330 D N 1.870 122.292 120.400 0.036 0.000 2.402 330 D HA 0.072 4.712 4.640 -0.000 0.000 0.216 330 D C -0.270 176.120 176.300 0.151 0.000 1.128 330 D CA -0.092 53.961 54.000 0.088 0.000 0.833 330 D CB 0.367 41.159 40.800 -0.014 0.000 0.971 330 D HN 0.243 nan 8.370 nan 0.000 0.503 331 T N 1.454 116.135 114.554 0.211 0.000 2.932 331 T HA 0.048 4.398 4.350 -0.000 0.000 0.312 331 T C 0.583 175.370 174.700 0.145 0.000 1.071 331 T CA -0.153 62.067 62.100 0.201 0.000 1.128 331 T CB 0.874 69.862 68.868 0.200 0.000 0.984 331 T HN -0.080 nan 8.240 nan 0.000 0.549 332 K N 3.308 123.757 120.400 0.082 0.000 2.230 332 K HA 0.122 4.442 4.320 -0.000 0.000 0.253 332 K C -1.514 174.978 176.600 -0.180 0.000 1.008 332 K CA -1.987 54.243 56.287 -0.095 0.000 0.910 332 K CB 0.036 32.524 32.500 -0.020 0.000 0.994 332 K HN 0.284 nan 8.250 nan 0.000 0.495 333 P HA -0.099 nan 4.420 nan 0.000 0.220 333 P C 0.258 177.483 177.300 -0.125 0.000 1.148 333 P CA 1.293 64.176 63.100 -0.361 0.000 0.803 333 P CB 0.310 31.698 31.700 -0.519 0.000 0.782 334 E N -1.286 118.863 120.200 -0.084 0.000 2.502 334 E HA 0.200 4.550 4.350 -0.000 0.000 0.194 334 E C 1.506 178.093 176.600 -0.022 0.000 1.062 334 E CA 0.773 57.155 56.400 -0.030 0.000 0.867 334 E CB -0.732 28.969 29.700 0.002 0.000 0.888 334 E HN 0.238 nan 8.360 nan 0.000 0.510 335 G N 0.867 109.656 108.800 -0.019 0.000 2.176 335 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.232 335 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.232 335 G C 0.130 175.014 174.900 -0.027 0.000 0.986 335 G CA 0.245 45.328 45.100 -0.028 0.000 0.643 335 G HN 0.374 nan 8.290 nan 0.000 0.522 336 N N -0.665 118.035 118.700 -0.000 0.000 2.502 336 N HA 0.522 5.262 4.740 -0.000 0.000 0.280 336 N C 0.505 176.077 175.510 0.104 0.000 1.223 336 N CA -0.798 52.222 53.050 -0.051 0.000 0.966 336 N CB 0.091 38.451 38.487 -0.213 0.000 1.203 336 N HN 0.641 nan 8.380 nan 0.000 0.565 337 Y N -2.725 117.606 120.300 0.051 0.000 3.168 337 Y HA -0.180 4.370 4.550 -0.000 0.000 0.207 337 Y C 0.660 176.696 175.900 0.227 0.000 1.280 337 Y CA 0.358 58.544 58.100 0.144 0.000 1.235 337 Y CB -2.279 36.232 38.460 0.085 0.000 1.370 337 Y HN 0.770 nan 8.280 nan 0.000 0.537 338 A N 0.350 123.321 122.820 0.252 0.000 2.561 338 A HA 0.593 4.913 4.320 -0.000 0.000 0.234 338 A C 0.745 178.561 177.584 0.388 0.000 1.055 338 A CA 0.634 52.834 52.037 0.272 0.000 0.756 338 A CB 0.195 19.270 19.000 0.125 0.000 0.986 338 A HN 1.570 nan 8.150 nan 0.000 0.505 339 A N 1.854 124.918 122.820 0.406 0.000 2.597 339 A HA 0.596 4.916 4.320 -0.000 0.000 0.292 339 A C -1.131 176.462 177.584 0.015 0.000 1.057 339 A CA -0.548 51.549 52.037 0.099 0.000 0.674 339 A CB 0.828 19.517 19.000 -0.518 0.000 1.278 339 A HN 0.731 nan 8.150 nan 0.000 0.416 340 I N 2.241 122.708 120.570 -0.171 0.000 2.406 340 I HA 0.403 4.573 4.170 -0.000 0.000 0.290 340 I C -0.145 175.820 176.117 -0.253 0.000 0.999 340 I CA -0.433 60.632 61.300 -0.392 0.000 1.124 340 I CB 1.659 39.288 38.000 -0.619 0.000 1.289 340 I HN 0.772 nan 8.210 nan 0.000 0.441 341 M N 5.452 124.899 119.600 -0.255 0.000 2.209 341 M HA 0.621 5.101 4.480 -0.000 0.000 0.355 341 M C -0.321 175.830 176.300 -0.249 0.000 1.171 341 M CA -0.152 55.029 55.300 -0.199 0.000 1.069 341 M CB 1.232 33.735 32.600 -0.161 0.000 1.622 341 M HN 0.718 nan 8.290 nan 0.000 0.459 342 G N 4.097 112.803 108.800 -0.157 0.000 2.619 342 G HA2 0.717 4.677 3.960 -0.000 0.000 0.296 342 G HA3 0.717 4.677 3.960 -0.000 0.000 0.296 342 G C -2.039 172.792 174.900 -0.116 0.000 1.334 342 G CA -0.540 44.505 45.100 -0.092 0.000 0.934 342 G HN 0.647 nan 8.290 nan 0.000 0.476 343 F N 0.150 120.240 119.950 0.233 0.000 2.495 343 F HA 0.510 5.037 4.527 0.000 0.000 0.327 343 F C 0.404 176.307 175.800 0.173 0.000 1.103 343 F CA -0.781 57.353 58.000 0.223 0.000 0.949 343 F CB 2.450 41.605 39.000 0.257 0.000 1.142 343 F HN 0.065 nan 8.300 nan 0.000 0.457 344 I N 5.107 125.885 120.570 0.346 0.000 2.297 344 I HA 0.259 4.429 4.170 -0.000 0.000 0.291 344 I C -0.723 175.478 176.117 0.141 0.000 1.033 344 I CA -0.263 61.152 61.300 0.191 0.000 1.253 344 I CB 0.703 38.787 38.000 0.139 0.000 1.396 344 I HN 0.357 nan 8.210 nan 0.000 0.476 345 L N 6.622 127.887 121.223 0.070 0.000 2.309 345 L HA 0.707 5.047 4.340 -0.000 0.000 0.282 345 L C 0.935 177.761 176.870 -0.073 0.000 1.036 345 L CA -0.166 54.671 54.840 -0.006 0.000 0.806 345 L CB 1.495 43.557 42.059 0.006 0.000 1.220 345 L HN 0.910 nan 8.230 nan 0.000 0.429 346 A N 2.124 124.898 122.820 -0.076 0.000 5.382 346 A HA -0.354 3.966 4.320 -0.000 0.000 0.307 346 A C 1.624 179.199 177.584 -0.017 0.000 1.937 346 A CA 1.357 53.360 52.037 -0.056 0.000 0.715 346 A CB -1.570 17.395 19.000 -0.058 0.000 1.293 346 A HN 1.075 nan 8.150 nan 0.000 0.374 347 H N 0.978 120.043 119.070 -0.009 0.000 2.456 347 H HA -0.016 4.540 4.556 0.000 0.000 0.296 347 H C 1.630 176.978 175.328 0.033 0.000 1.079 347 H CA 1.796 57.855 56.048 0.020 0.000 1.322 347 H CB -0.355 29.428 29.762 0.035 0.000 1.388 347 H HN 0.728 nan 8.280 nan 0.000 0.538 348 K N 0.670 120.734 120.400 -0.559 0.000 2.217 348 K HA 0.087 4.407 4.320 -0.000 0.000 0.202 348 K C 2.517 179.060 176.600 -0.095 0.000 1.051 348 K CA 0.785 56.873 56.287 -0.332 0.000 0.952 348 K CB 0.098 32.414 32.500 -0.306 0.000 0.736 348 K HN 0.330 nan 8.250 nan 0.000 0.453 349 A N 1.421 124.213 122.820 -0.046 0.000 1.930 349 A HA -0.145 4.175 4.320 -0.000 0.000 0.217 349 A C 2.042 179.643 177.584 0.029 0.000 1.175 349 A CA 1.225 53.274 52.037 0.021 0.000 0.627 349 A CB -0.237 18.789 19.000 0.042 0.000 0.815 349 A HN 0.123 nan 8.150 nan 0.000 0.443 350 R N -0.274 120.245 120.500 0.031 0.000 2.075 350 R HA -0.058 4.282 4.340 -0.000 0.000 0.232 350 R C 2.306 178.633 176.300 0.045 0.000 1.126 350 R CA 1.738 57.866 56.100 0.047 0.000 0.963 350 R CB -0.268 30.073 30.300 0.068 0.000 0.858 350 R HN 0.616 nan 8.270 nan 0.000 0.435 351 K N 0.561 120.989 120.400 0.046 0.000 2.025 351 K HA -0.065 4.255 4.320 -0.000 0.000 0.207 351 K C 1.467 178.087 176.600 0.033 0.000 1.049 351 K CA 1.229 57.547 56.287 0.051 0.000 0.933 351 K CB 0.051 32.594 32.500 0.071 0.000 0.714 351 K HN 0.139 nan 8.250 nan 0.000 0.438 352 L N 0.270 121.507 121.223 0.023 0.000 2.591 352 L HA 0.135 4.475 4.340 -0.000 0.000 0.228 352 L C 2.089 178.978 176.870 0.031 0.000 1.133 352 L CA 0.132 54.986 54.840 0.024 0.000 0.880 352 L CB 0.023 42.095 42.059 0.021 0.000 1.033 352 L HN 0.199 nan 8.230 nan 0.000 0.450 353 A N 0.356 123.195 122.820 0.033 0.000 2.066 353 A HA -0.125 4.195 4.320 -0.000 0.000 0.218 353 A C 2.353 179.953 177.584 0.025 0.000 1.157 353 A CA 0.899 52.956 52.037 0.032 0.000 0.670 353 A CB -0.306 18.712 19.000 0.030 0.000 0.804 353 A HN 0.318 nan 8.150 nan 0.000 0.453 354 R N -0.572 119.941 120.500 0.023 0.000 2.148 354 R HA 0.068 4.408 4.340 -0.000 0.000 0.227 354 R C 0.255 176.566 176.300 0.017 0.000 1.103 354 R CA 0.212 56.323 56.100 0.018 0.000 0.983 354 R CB -0.434 29.877 30.300 0.018 0.000 0.874 354 R HN 0.463 nan 8.270 nan 0.000 0.451 355 L N 0.610 121.845 121.223 0.019 0.000 2.474 355 L HA 0.027 4.367 4.340 -0.000 0.000 0.259 355 L C 1.105 177.987 176.870 0.021 0.000 1.232 355 L CA -0.129 54.721 54.840 0.016 0.000 0.821 355 L CB 0.085 42.152 42.059 0.013 0.000 1.108 355 L HN 0.187 nan 8.230 nan 0.000 0.495 356 T N -2.553 112.011 114.554 0.018 0.000 2.816 356 T HA 0.128 4.478 4.350 -0.000 0.000 0.282 356 T C 0.861 175.587 174.700 0.043 0.000 0.993 356 T CA -0.674 61.441 62.100 0.026 0.000 0.994 356 T CB 1.264 70.142 68.868 0.017 0.000 1.025 356 T HN 0.671 nan 8.240 nan 0.000 0.529 357 K N 0.209 120.651 120.400 0.069 0.000 2.063 357 K HA -0.181 4.139 4.320 -0.000 0.000 0.208 357 K C 1.921 178.576 176.600 0.091 0.000 1.048 357 K CA 1.755 58.128 56.287 0.144 0.000 0.928 357 K CB -0.192 32.398 32.500 0.149 0.000 0.713 357 K HN 0.667 nan 8.250 nan 0.000 0.442 358 E N 0.797 121.015 120.200 0.030 0.000 2.106 358 E HA -0.149 4.201 4.350 -0.000 0.000 0.192 358 E C 1.770 178.327 176.600 -0.071 0.000 0.984 358 E CA 1.395 57.774 56.400 -0.034 0.000 0.806 358 E CB 0.000 29.692 29.700 -0.014 0.000 0.750 358 E HN 0.415 nan 8.360 nan 0.000 0.458 359 E N 0.320 120.496 120.200 -0.039 0.000 2.072 359 E HA -0.119 4.231 4.350 -0.000 0.000 0.191 359 E C 2.140 178.696 176.600 -0.074 0.000 0.985 359 E CA 0.713 57.085 56.400 -0.047 0.000 0.801 359 E CB -0.043 29.645 29.700 -0.021 0.000 0.750 359 E HN 0.122 nan 8.360 nan 0.000 0.452 360 R N 0.332 120.797 120.500 -0.058 0.000 2.081 360 R HA -0.146 4.194 4.340 -0.000 0.000 0.235 360 R C 2.488 178.638 176.300 -0.249 0.000 1.131 360 R CA 0.901 56.954 56.100 -0.078 0.000 0.960 360 R CB -0.376 29.952 30.300 0.046 0.000 0.856 360 R HN 0.128 nan 8.270 nan 0.000 0.436 361 L N 1.764 122.718 121.223 -0.449 0.000 2.012 361 L HA -0.226 4.114 4.340 -0.000 0.000 0.210 361 L C 2.237 178.889 176.870 -0.363 0.000 1.073 361 L CA 1.919 56.342 54.840 -0.696 0.000 0.748 361 L CB -0.457 41.147 42.059 -0.759 0.000 0.891 361 L HN 0.009 nan 8.230 nan 0.000 0.431 362 K N -0.504 119.760 120.400 -0.228 0.000 2.032 362 K HA -0.227 4.093 4.320 -0.000 0.000 0.209 362 K C 2.165 178.676 176.600 -0.150 0.000 1.048 362 K CA 1.784 57.984 56.287 -0.146 0.000 0.927 362 K CB -0.107 32.337 32.500 -0.093 0.000 0.712 362 K HN 0.340 nan 8.250 nan 0.000 0.441 363 K N 0.170 120.479 120.400 -0.152 0.000 2.057 363 K HA -0.145 4.175 4.320 -0.000 0.000 0.207 363 K C 2.114 178.574 176.600 -0.233 0.000 1.049 363 K CA 1.233 57.433 56.287 -0.144 0.000 0.931 363 K CB -0.127 32.311 32.500 -0.104 0.000 0.714 363 K HN 0.050 nan 8.250 nan 0.000 0.440 364 L N 0.856 121.884 121.223 -0.324 0.000 2.017 364 L HA -0.220 4.120 4.340 -0.000 0.000 0.208 364 L C 2.475 178.904 176.870 -0.735 0.000 1.073 364 L CA 1.565 56.038 54.840 -0.611 0.000 0.745 364 L CB -0.697 41.033 42.059 -0.550 0.000 0.894 364 L HN 0.243 nan 8.230 nan 0.000 0.432 365 C N -0.772 118.322 119.300 -0.343 0.000 2.429 365 C HA -0.143 4.317 4.460 -0.000 0.000 0.277 365 C C 2.646 177.606 174.990 -0.049 0.000 1.262 365 C CA 0.525 59.492 59.018 -0.086 0.000 1.733 365 C CB -0.768 26.980 27.740 0.014 0.000 2.010 365 C HN 0.548 nan 8.230 nan 0.000 0.483 366 E N 0.341 120.485 120.200 -0.093 0.000 2.110 366 E HA -0.219 4.131 4.350 -0.000 0.000 0.193 366 E C 1.999 178.566 176.600 -0.055 0.000 0.988 366 E CA 0.968 57.339 56.400 -0.050 0.000 0.804 366 E CB -0.284 29.386 29.700 -0.050 0.000 0.745 366 E HN 0.526 nan 8.360 nan 0.000 0.458 367 L N 0.383 121.527 121.223 -0.132 0.000 2.017 367 L HA -0.210 4.130 4.340 -0.000 0.000 0.208 367 L C 2.015 178.900 176.870 0.024 0.000 1.073 367 L CA 1.748 56.525 54.840 -0.105 0.000 0.745 367 L CB -0.559 41.395 42.059 -0.175 0.000 0.894 367 L HN 0.194 nan 8.230 nan 0.000 0.432 368 Y N -0.959 119.326 120.300 -0.025 0.000 2.293 368 Y HA -0.144 4.406 4.550 -0.000 0.000 0.291 368 Y C 2.496 178.404 175.900 0.012 0.000 1.137 368 Y CA 0.133 58.220 58.100 -0.021 0.000 1.202 368 Y CB -0.445 38.043 38.460 0.047 0.000 0.990 368 Y HN 0.376 nan 8.280 nan 0.000 0.537 369 A N 0.873 123.805 122.820 0.186 0.000 1.902 369 A HA -0.199 4.121 4.320 -0.000 0.000 0.217 369 A C 2.084 179.713 177.584 0.075 0.000 1.181 369 A CA 1.640 53.745 52.037 0.113 0.000 0.623 369 A CB -0.399 18.636 19.000 0.060 0.000 0.818 369 A HN 0.373 nan 8.150 nan 0.000 0.443 370 K N -0.564 119.858 120.400 0.037 0.000 2.025 370 K HA -0.026 4.294 4.320 -0.000 0.000 0.207 370 K C 1.848 178.438 176.600 -0.017 0.000 1.049 370 K CA 1.401 57.697 56.287 0.015 0.000 0.933 370 K CB -0.296 32.196 32.500 -0.012 0.000 0.714 370 K HN 0.296 nan 8.250 nan 0.000 0.438 371 V N 1.652 121.493 119.914 -0.121 0.000 2.379 371 V HA -0.149 3.971 4.120 -0.000 0.000 0.245 371 V C 2.011 178.054 176.094 -0.085 0.000 1.044 371 V CA 1.403 63.586 62.300 -0.194 0.000 1.036 371 V CB -0.330 31.318 31.823 -0.291 0.000 0.664 371 V HN 0.250 nan 8.190 nan 0.000 0.453 372 L N 0.577 121.786 121.223 -0.024 0.000 2.554 372 L HA 0.259 4.599 4.340 -0.000 0.000 0.226 372 L C 1.608 178.602 176.870 0.206 0.000 1.137 372 L CA 0.784 55.651 54.840 0.045 0.000 0.863 372 L CB -0.731 41.450 42.059 0.203 0.000 0.985 372 L HN 0.548 nan 8.230 nan 0.000 0.451 373 G N 0.809 109.694 108.800 0.143 0.000 2.314 373 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.292 373 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.292 373 G C 0.071 175.058 174.900 0.144 0.000 1.059 373 G CA 0.590 45.776 45.100 0.144 0.000 0.982 373 G HN 0.339 nan 8.290 nan 0.000 0.505 374 S N -1.176 114.596 115.700 0.120 0.000 2.614 374 S HA 0.553 5.023 4.470 -0.000 0.000 0.275 374 S C 1.171 175.734 174.600 -0.062 0.000 1.161 374 S CA -0.646 57.579 58.200 0.041 0.000 0.969 374 S CB 1.005 64.263 63.200 0.097 0.000 1.059 374 S HN 0.430 nan 8.310 nan 0.000 0.482 375 L N 3.769 124.933 121.223 -0.098 0.000 2.456 375 L HA 0.030 4.370 4.340 -0.000 0.000 0.224 375 L C 2.117 178.856 176.870 -0.217 0.000 1.148 375 L CA 0.881 55.656 54.840 -0.108 0.000 0.825 375 L CB -0.249 41.765 42.059 -0.075 0.000 0.937 375 L HN 0.742 nan 8.230 nan 0.000 0.450 376 E N 0.597 120.521 120.200 -0.460 0.000 2.268 376 E HA -0.167 4.183 4.350 -0.000 0.000 0.195 376 E C 2.232 178.371 176.600 -0.768 0.000 0.995 376 E CA 0.940 56.884 56.400 -0.760 0.000 0.836 376 E CB -0.032 28.828 29.700 -1.399 0.000 0.763 376 E HN 0.506 nan 8.360 nan 0.000 0.491 377 A N 1.076 123.551 122.820 -0.575 0.000 2.121 377 A HA -0.083 4.237 4.320 -0.000 0.000 0.218 377 A C 1.967 179.701 177.584 0.251 0.000 1.154 377 A CA 0.654 52.666 52.037 -0.040 0.000 0.679 377 A CB -0.373 18.770 19.000 0.239 0.000 0.795 377 A HN 0.148 nan 8.150 nan 0.000 0.458 378 L N -0.359 120.920 121.223 0.094 0.000 2.627 378 L HA 0.079 4.419 4.340 -0.000 0.000 0.233 378 L C 0.153 177.104 176.870 0.135 0.000 1.144 378 L CA 0.150 55.055 54.840 0.108 0.000 0.892 378 L CB -0.039 42.039 42.059 0.031 0.000 1.039 378 L HN 0.186 nan 8.230 nan 0.000 0.442 379 E N 1.044 121.375 120.200 0.219 0.000 3.588 379 E HA 0.267 4.617 4.350 -0.000 0.000 0.213 379 E C -2.269 174.516 176.600 0.309 0.000 1.168 379 E CA -1.715 54.804 56.400 0.198 0.000 1.254 379 E CB 0.417 30.194 29.700 0.128 0.000 1.302 379 E HN 0.121 nan 8.360 nan 0.000 0.429 380 P HA 0.010 nan 4.420 nan 0.000 0.272 380 P C 1.077 178.416 177.300 0.065 0.000 1.223 380 P CA -0.089 62.985 63.100 -0.045 0.000 0.784 380 P CB 1.442 33.064 31.700 -0.131 0.000 0.923 381 V N -1.946 118.020 119.914 0.087 0.000 3.565 381 V HA 0.311 4.431 4.120 -0.000 0.000 0.260 381 V C 0.490 176.715 176.094 0.218 0.000 1.231 381 V CA 0.781 63.170 62.300 0.149 0.000 1.100 381 V CB -1.179 30.740 31.823 0.161 0.000 0.807 381 V HN 0.686 nan 8.190 nan 0.000 0.454 382 H N -1.144 118.000 119.070 0.123 0.000 2.987 382 H HA 0.625 5.181 4.556 0.000 0.000 0.316 382 H C -2.301 173.233 175.328 0.343 0.000 1.380 382 H CA -0.749 55.383 56.048 0.139 0.000 1.160 382 H CB 1.915 31.656 29.762 -0.035 0.000 1.865 382 H HN 0.147 nan 8.280 nan 0.000 0.521 383 Y N 1.503 121.522 120.300 -0.467 0.000 2.479 383 Y HA 0.523 5.073 4.550 -0.000 0.000 0.338 383 Y C -1.715 174.075 175.900 -0.184 0.000 1.055 383 Y CA -0.695 57.333 58.100 -0.121 0.000 1.023 383 Y CB 1.802 40.193 38.460 -0.116 0.000 1.287 383 Y HN 0.637 nan 8.280 nan 0.000 0.447 384 E N 4.348 124.318 120.200 -0.384 0.000 2.293 384 E HA 0.414 4.764 4.350 -0.000 0.000 0.270 384 E C -1.449 174.801 176.600 -0.583 0.000 0.879 384 E CA -0.753 55.433 56.400 -0.358 0.000 0.756 384 E CB 2.738 32.450 29.700 0.019 0.000 1.208 384 E HN 0.783 nan 8.360 nan 0.000 0.428 385 E N 0.543 120.490 120.200 -0.421 0.000 2.430 385 E HA 0.676 5.026 4.350 -0.000 0.000 0.279 385 E C -1.165 175.387 176.600 -0.079 0.000 1.003 385 E CA -1.082 55.168 56.400 -0.250 0.000 0.801 385 E CB 2.666 32.198 29.700 -0.279 0.000 1.313 385 E HN 0.173 nan 8.360 nan 0.000 0.459 386 K N 1.171 121.574 120.400 0.005 0.000 2.581 386 K HA 0.260 4.580 4.320 -0.000 0.000 0.249 386 K C -1.674 174.882 176.600 -0.073 0.000 0.966 386 K CA -0.728 55.500 56.287 -0.099 0.000 0.811 386 K CB 1.493 33.906 32.500 -0.146 0.000 1.223 386 K HN 0.523 nan 8.250 nan 0.000 0.438 387 N N 4.210 122.825 118.700 -0.141 0.000 2.500 387 N HA 0.114 4.854 4.740 -0.000 0.000 0.236 387 N C -0.310 175.142 175.510 -0.096 0.000 1.022 387 N CA -0.471 52.565 53.050 -0.023 0.000 0.935 387 N CB 0.297 38.785 38.487 0.001 0.000 1.147 387 N HN 0.653 nan 8.380 nan 0.000 0.512 388 W N 2.159 123.500 121.300 0.068 0.000 2.825 388 W HA 0.052 4.712 4.660 -0.000 0.000 0.243 388 W C 1.798 178.334 176.519 0.028 0.000 1.293 388 W CA -0.150 57.228 57.345 0.056 0.000 1.403 388 W CB -0.100 29.408 29.460 0.081 0.000 1.134 388 W HN 0.579 nan 8.180 nan 0.000 0.666 389 C N -0.508 118.892 119.300 0.168 0.000 2.456 389 C HA -0.087 4.373 4.460 -0.000 0.000 0.279 389 C C 2.043 177.060 174.990 0.045 0.000 1.427 389 C CA 0.673 59.752 59.018 0.102 0.000 1.778 389 C CB -1.048 26.735 27.740 0.071 0.000 1.842 389 C HN 0.351 nan 8.230 nan 0.000 0.531 390 E N 0.630 120.833 120.200 0.005 0.000 2.481 390 E HA -0.026 4.324 4.350 -0.000 0.000 0.195 390 E C 0.278 176.848 176.600 -0.051 0.000 1.047 390 E CA 0.328 56.705 56.400 -0.038 0.000 0.867 390 E CB 0.080 29.732 29.700 -0.081 0.000 0.858 390 E HN 0.598 nan 8.360 nan 0.000 0.513 391 E N 1.403 121.594 120.200 -0.015 0.000 2.105 391 E HA -0.024 4.326 4.350 -0.000 0.000 0.285 391 E C 0.457 177.038 176.600 -0.032 0.000 1.055 391 E CA 0.066 56.459 56.400 -0.012 0.000 0.843 391 E CB 1.368 31.124 29.700 0.093 0.000 1.067 391 E HN 0.234 nan 8.360 nan 0.000 0.398 392 Q N 2.957 122.671 119.800 -0.143 0.000 2.112 392 Q HA -0.207 4.133 4.340 -0.000 0.000 0.206 392 Q C 0.413 176.171 176.000 -0.403 0.000 0.987 392 Q CA 1.722 57.321 55.803 -0.341 0.000 0.858 392 Q CB 0.060 28.436 28.738 -0.604 0.000 0.905 392 Q HN 0.605 nan 8.270 nan 0.000 0.420 393 Y N -0.939 119.387 120.300 0.044 0.000 2.493 393 Y HA 0.229 4.779 4.550 -0.000 0.000 0.275 393 Y C 1.571 177.529 175.900 0.097 0.000 1.183 393 Y CA -0.237 57.899 58.100 0.060 0.000 1.258 393 Y CB 0.843 39.330 38.460 0.045 0.000 1.108 393 Y HN 0.086 nan 8.280 nan 0.000 0.521 394 S N -1.569 114.257 115.700 0.210 0.000 2.807 394 S HA 0.281 4.751 4.470 -0.000 0.000 0.247 394 S C 1.849 176.529 174.600 0.132 0.000 1.078 394 S CA 0.585 58.912 58.200 0.211 0.000 0.867 394 S CB 0.588 63.987 63.200 0.332 0.000 0.797 394 S HN 0.540 nan 8.310 nan 0.000 0.515 395 G N 0.952 109.812 108.800 0.100 0.000 2.195 395 G HA2 0.112 4.072 3.960 -0.000 0.000 0.246 395 G HA3 0.112 4.072 3.960 -0.000 0.000 0.246 395 G C 0.469 175.410 174.900 0.068 0.000 0.984 395 G CA -0.003 45.124 45.100 0.045 0.000 0.633 395 G HN 1.346 nan 8.290 nan 0.000 0.525 396 G N -2.290 106.591 108.800 0.134 0.000 2.350 396 G HA2 0.512 4.472 3.960 -0.000 0.000 0.282 396 G HA3 0.512 4.472 3.960 -0.000 0.000 0.282 396 G C -0.963 174.020 174.900 0.139 0.000 1.314 396 G CA 0.327 45.517 45.100 0.150 0.000 0.915 396 G HN 1.466 nan 8.290 nan 0.000 0.499 397 C N -1.636 117.696 119.300 0.054 0.000 3.311 397 C HA 0.616 5.076 4.460 -0.000 0.000 0.325 397 C C 0.836 175.680 174.990 -0.242 0.000 1.352 397 C CA -0.620 58.355 59.018 -0.072 0.000 1.308 397 C CB 0.799 28.395 27.740 -0.241 0.000 1.619 397 C HN 0.716 nan 8.230 nan 0.000 0.469 398 Y N 0.595 120.823 120.300 -0.121 0.000 2.337 398 Y HA 0.205 4.755 4.550 -0.000 0.000 0.293 398 Y C 1.603 177.465 175.900 -0.063 0.000 1.123 398 Y CA 1.218 59.217 58.100 -0.168 0.000 1.201 398 Y CB -0.462 37.876 38.460 -0.204 0.000 1.011 398 Y HN 0.677 nan 8.280 nan 0.000 0.545 399 T N -1.844 112.798 114.554 0.146 0.000 2.671 399 T HA 0.371 4.721 4.350 -0.000 0.000 0.300 399 T C -0.769 174.040 174.700 0.182 0.000 1.238 399 T CA -0.699 61.528 62.100 0.211 0.000 1.020 399 T CB 1.153 70.237 68.868 0.360 0.000 1.503 399 T HN -0.149 nan 8.240 nan 0.000 0.497 400 T N 2.599 117.274 114.554 0.201 0.000 2.832 400 T HA 0.503 4.853 4.350 -0.000 0.000 0.296 400 T C -0.859 173.857 174.700 0.026 0.000 0.968 400 T CA 0.006 62.120 62.100 0.023 0.000 1.107 400 T CB -0.298 68.577 68.868 0.011 0.000 0.916 400 T HN 0.472 nan 8.240 nan 0.000 0.517 401 Y N 0.830 120.910 120.300 -0.367 0.000 2.528 401 Y HA 0.809 5.359 4.550 -0.000 0.000 0.335 401 Y C -1.285 174.032 175.900 -0.971 0.000 1.093 401 Y CA -2.253 55.252 58.100 -0.992 0.000 1.134 401 Y CB 0.780 38.813 38.460 -0.713 0.000 1.253 401 Y HN 0.387 nan 8.280 nan 0.000 0.478 402 F N 2.860 122.026 119.950 -1.307 0.000 2.402 402 F HA 0.582 5.109 4.527 -0.000 0.000 0.355 402 F C -2.314 173.410 175.800 -0.125 0.000 1.123 402 F CA -2.846 54.808 58.000 -0.577 0.000 1.021 402 F CB 1.531 40.265 39.000 -0.443 0.000 1.160 402 F HN 0.349 nan 8.300 nan 0.000 0.451 403 P HA 0.115 nan 4.420 nan 0.000 0.273 403 P C -2.538 174.879 177.300 0.196 0.000 1.250 403 P CA -1.082 62.116 63.100 0.165 0.000 0.793 403 P CB -0.150 31.593 31.700 0.071 0.000 1.011 404 P HA -0.033 nan 4.420 nan 0.000 0.265 404 P C 0.886 178.289 177.300 0.172 0.000 1.193 404 P CA 1.232 64.446 63.100 0.191 0.000 0.765 404 P CB -0.068 31.724 31.700 0.153 0.000 0.823 405 G N 2.957 111.874 108.800 0.194 0.000 2.225 405 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.254 405 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.254 405 G C 0.816 175.845 174.900 0.216 0.000 0.988 405 G CA 0.119 45.323 45.100 0.173 0.000 0.625 405 G HN 0.449 nan 8.290 nan 0.000 0.527 406 I N 0.131 120.864 120.570 0.271 0.000 2.480 406 I HA 0.162 4.332 4.170 -0.000 0.000 0.251 406 I C 2.575 178.966 176.117 0.458 0.000 1.124 406 I CA 1.246 62.767 61.300 0.367 0.000 1.444 406 I CB -1.020 37.120 38.000 0.233 0.000 1.098 406 I HN 0.287 nan 8.210 nan 0.000 0.428 407 L N 1.171 122.641 121.223 0.411 0.000 2.093 407 L HA -0.156 4.184 4.340 -0.000 0.000 0.208 407 L C 2.580 179.544 176.870 0.157 0.000 1.085 407 L CA 2.225 57.179 54.840 0.190 0.000 0.755 407 L CB -0.847 41.208 42.059 -0.006 0.000 0.904 407 L HN 0.379 nan 8.230 nan 0.000 0.435 408 T N -4.215 110.437 114.554 0.164 0.000 2.857 408 T HA -0.133 4.217 4.350 -0.000 0.000 0.266 408 T C 1.809 176.488 174.700 -0.036 0.000 1.048 408 T CA 0.853 63.021 62.100 0.112 0.000 1.139 408 T CB -0.329 68.605 68.868 0.109 0.000 0.874 408 T HN 0.320 nan 8.240 nan 0.000 0.455 409 Q N -0.079 119.697 119.800 -0.041 0.000 2.187 409 Q HA 0.108 4.448 4.340 -0.000 0.000 0.199 409 Q C 0.984 176.652 176.000 -0.553 0.000 0.957 409 Q CA 1.161 56.780 55.803 -0.307 0.000 0.857 409 Q CB 0.000 28.546 28.738 -0.320 0.000 0.929 409 Q HN 0.778 nan 8.270 nan 0.000 0.453 410 Y N -1.942 118.306 120.300 -0.086 0.000 2.499 410 Y HA 0.266 4.816 4.550 -0.000 0.000 0.253 410 Y C 1.972 177.764 175.900 -0.182 0.000 1.105 410 Y CA 0.072 58.102 58.100 -0.118 0.000 1.240 410 Y CB 0.282 38.717 38.460 -0.042 0.000 1.289 410 Y HN 0.073 nan 8.280 nan 0.000 0.534 411 G N 0.710 109.433 108.800 -0.129 0.000 2.442 411 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.219 411 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.219 411 G C 1.684 176.139 174.900 -0.741 0.000 1.141 411 G CA 0.695 45.630 45.100 -0.275 0.000 0.763 411 G HN 0.272 nan 8.290 nan 0.000 0.554 412 R N -0.171 119.595 120.500 -1.225 0.000 2.193 412 R HA -0.042 4.298 4.340 -0.000 0.000 0.229 412 R C 2.621 178.671 176.300 -0.417 0.000 1.110 412 R CA 1.206 56.659 56.100 -1.078 0.000 0.988 412 R CB -0.310 29.451 30.300 -0.898 0.000 0.871 412 R HN 0.438 nan 8.270 nan 0.000 0.458 413 V N -0.486 119.251 119.914 -0.294 0.000 3.129 413 V HA -0.057 4.063 4.120 -0.000 0.000 0.259 413 V C 1.738 177.724 176.094 -0.179 0.000 1.116 413 V CA 0.938 63.127 62.300 -0.186 0.000 1.127 413 V CB -0.153 31.585 31.823 -0.141 0.000 0.742 413 V HN 0.112 nan 8.190 nan 0.000 0.474 414 L N 2.048 123.208 121.223 -0.106 0.000 2.042 414 L HA -0.063 4.277 4.340 -0.000 0.000 0.210 414 L C 2.659 179.485 176.870 -0.074 0.000 1.076 414 L CA 2.610 57.407 54.840 -0.073 0.000 0.749 414 L CB -0.563 41.561 42.059 0.110 0.000 0.893 414 L HN 0.681 nan 8.230 nan 0.000 0.432 415 R N -0.982 119.567 120.500 0.083 0.000 2.546 415 R HA 0.165 4.505 4.340 -0.000 0.000 0.320 415 R C 0.490 176.938 176.300 0.246 0.000 1.021 415 R CA -0.251 55.982 56.100 0.223 0.000 1.088 415 R CB -0.295 30.200 30.300 0.325 0.000 1.278 415 R HN 0.287 nan 8.270 nan 0.000 0.557 416 Q N 2.542 122.401 119.800 0.099 0.000 2.286 416 Q HA 0.227 4.567 4.340 -0.000 0.000 0.267 416 Q C -2.126 173.990 176.000 0.193 0.000 1.028 416 Q CA -2.160 53.706 55.803 0.105 0.000 0.901 416 Q CB 0.953 29.692 28.738 0.002 0.000 1.183 416 Q HN 0.058 nan 8.270 nan 0.000 0.392 417 P HA -0.047 nan 4.420 nan 0.000 0.268 417 P C -1.287 176.018 177.300 0.008 0.000 1.208 417 P CA -0.089 62.961 63.100 -0.083 0.000 0.777 417 P CB 0.638 32.023 31.700 -0.525 0.000 0.875 418 V N 2.889 122.812 119.914 0.016 0.000 2.266 418 V HA 0.156 4.276 4.120 -0.000 0.000 0.271 418 V C 0.622 176.684 176.094 -0.052 0.000 1.032 418 V CA 0.066 62.374 62.300 0.014 0.000 0.806 418 V CB 0.095 31.967 31.823 0.082 0.000 1.052 418 V HN 0.785 nan 8.190 nan 0.000 0.449 419 D N 4.016 124.386 120.400 -0.051 0.000 4.372 419 D HA -0.308 4.332 4.640 -0.000 0.000 0.169 419 D C 1.284 177.571 176.300 -0.022 0.000 0.680 419 D CA 2.407 56.396 54.000 -0.019 0.000 1.152 419 D CB -0.257 40.546 40.800 0.005 0.000 0.585 419 D HN 0.569 nan 8.370 nan 0.000 0.493 420 R N -0.153 120.361 120.500 0.023 0.000 2.546 420 R HA 0.472 4.812 4.340 -0.000 0.000 0.320 420 R C -0.337 176.059 176.300 0.160 0.000 1.021 420 R CA -0.187 56.030 56.100 0.194 0.000 1.088 420 R CB 0.461 30.821 30.300 0.099 0.000 1.278 420 R HN 0.274 nan 8.270 nan 0.000 0.557 421 I N 1.024 121.531 120.570 -0.106 0.000 2.336 421 I HA 0.266 4.436 4.170 -0.000 0.000 0.292 421 I C -0.620 175.125 176.117 -0.621 0.000 0.991 421 I CA -0.740 60.423 61.300 -0.228 0.000 1.227 421 I CB 0.888 38.748 38.000 -0.233 0.000 1.366 421 I HN -0.059 nan 8.210 nan 0.000 0.466 422 Y N 5.115 125.156 120.300 -0.431 0.000 2.528 422 Y HA 0.543 5.093 4.550 -0.000 0.000 0.335 422 Y C -0.616 174.888 175.900 -0.660 0.000 1.093 422 Y CA -0.612 57.257 58.100 -0.384 0.000 1.134 422 Y CB 1.738 40.101 38.460 -0.162 0.000 1.253 422 Y HN 0.282 nan 8.280 nan 0.000 0.478 423 F N 1.285 121.340 119.950 0.176 0.000 2.460 423 F HA 0.693 5.220 4.527 -0.000 0.000 0.341 423 F C 0.379 176.256 175.800 0.128 0.000 1.130 423 F CA -0.546 57.531 58.000 0.129 0.000 0.962 423 F CB 1.108 40.168 39.000 0.101 0.000 1.171 423 F HN 0.594 nan 8.300 nan 0.000 0.436 424 A N 2.346 125.301 122.820 0.225 0.000 3.538 424 A HA 0.945 5.265 4.320 -0.000 0.000 0.174 424 A C 0.429 178.145 177.584 0.220 0.000 1.733 424 A CA -0.372 51.772 52.037 0.177 0.000 0.888 424 A CB -0.172 18.887 19.000 0.099 0.000 1.804 424 A HN 1.480 nan 8.150 nan 0.000 0.626 425 G N -2.510 106.398 108.800 0.179 0.000 2.777 425 G HA2 0.068 4.028 3.960 -0.000 0.000 0.686 425 G HA3 0.068 4.028 3.960 -0.000 0.000 0.686 425 G C 0.431 175.466 174.900 0.224 0.000 1.177 425 G CA 0.620 45.837 45.100 0.194 0.000 0.775 425 G HN 1.534 nan 8.290 nan 0.000 0.613 426 T N 0.315 115.002 114.554 0.221 0.000 2.833 426 T HA -0.093 4.257 4.350 -0.000 0.000 0.269 426 T C 2.133 177.038 174.700 0.342 0.000 1.054 426 T CA 2.598 64.855 62.100 0.263 0.000 1.135 426 T CB -0.188 68.828 68.868 0.247 0.000 0.869 426 T HN 0.636 nan 8.240 nan 0.000 0.466 427 E N 0.658 121.067 120.200 0.348 0.000 2.331 427 E HA -0.076 4.274 4.350 -0.000 0.000 0.199 427 E C 2.168 179.030 176.600 0.437 0.000 1.008 427 E CA 1.552 58.212 56.400 0.434 0.000 0.843 427 E CB -0.279 29.642 29.700 0.367 0.000 0.761 427 E HN 0.719 nan 8.360 nan 0.000 0.507 428 T N -2.702 112.073 114.554 0.368 0.000 3.086 428 T HA 0.480 4.830 4.350 -0.000 0.000 0.250 428 T C 0.778 175.724 174.700 0.410 0.000 1.074 428 T CA 0.003 62.324 62.100 0.369 0.000 0.988 428 T CB 0.199 69.263 68.868 0.327 0.000 0.988 428 T HN 0.106 nan 8.240 nan 0.000 0.530 429 A N 1.702 124.769 122.820 0.411 0.000 2.313 429 A HA 0.558 4.878 4.320 -0.000 0.000 0.261 429 A C 1.536 179.398 177.584 0.462 0.000 1.090 429 A CA 0.078 52.362 52.037 0.411 0.000 0.807 429 A CB 0.391 19.594 19.000 0.337 0.000 1.055 429 A HN 0.486 nan 8.150 nan 0.000 0.492 430 T N -2.619 112.182 114.554 0.412 0.000 3.023 430 T HA 0.230 4.580 4.350 -0.000 0.000 0.253 430 T C 0.304 175.113 174.700 0.182 0.000 1.038 430 T CA 0.731 63.022 62.100 0.319 0.000 0.962 430 T CB -0.392 68.583 68.868 0.179 0.000 1.018 430 T HN 0.751 nan 8.240 nan 0.000 0.521 431 H N -1.190 117.910 119.070 0.051 0.000 2.782 431 H HA 0.295 4.851 4.556 -0.000 0.000 0.347 431 H C -0.963 174.381 175.328 0.026 0.000 1.038 431 H CA -1.236 54.750 56.048 -0.103 0.000 1.255 431 H CB 1.037 30.803 29.762 0.007 0.000 1.623 431 H HN 0.287 nan 8.280 nan 0.000 0.525 432 W N 2.261 123.356 121.300 -0.342 0.000 5.538 432 W HA -0.254 4.407 4.660 0.000 0.000 0.377 432 W C 0.473 176.962 176.519 -0.050 0.000 1.406 432 W CA 0.918 58.018 57.345 -0.408 0.000 0.940 432 W CB -1.591 27.531 29.460 -0.563 0.000 2.536 432 W HN 0.380 nan 8.180 nan 0.000 1.504 433 S N 0.507 116.276 115.700 0.115 0.000 2.552 433 S HA 0.384 4.854 4.470 -0.000 0.000 0.289 433 S C 1.410 176.252 174.600 0.403 0.000 1.304 433 S CA 1.648 60.025 58.200 0.295 0.000 1.063 433 S CB 0.831 64.268 63.200 0.396 0.000 0.848 433 S HN 1.398 nan 8.310 nan 0.000 0.499 434 G N 2.977 112.065 108.800 0.479 0.000 2.232 434 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.226 434 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.226 434 G C -0.180 174.817 174.900 0.163 0.000 0.996 434 G CA 0.267 45.636 45.100 0.447 0.000 0.626 434 G HN 0.690 nan 8.290 nan 0.000 0.509 435 Y N -0.471 119.947 120.300 0.195 0.000 2.631 435 Y HA 0.711 5.261 4.550 -0.000 0.000 0.328 435 Y C 1.998 177.934 175.900 0.060 0.000 1.118 435 Y CA -0.755 57.402 58.100 0.096 0.000 1.206 435 Y CB 0.815 39.313 38.460 0.064 0.000 1.337 435 Y HN -0.030 nan 8.280 nan 0.000 0.515 436 M N -0.137 119.567 119.600 0.174 0.000 2.149 436 M HA -0.192 4.288 4.480 -0.000 0.000 0.261 436 M C 1.820 178.177 176.300 0.095 0.000 1.064 436 M CA 1.938 57.304 55.300 0.109 0.000 1.102 436 M CB -0.255 32.402 32.600 0.094 0.000 1.369 436 M HN 0.776 nan 8.290 nan 0.000 0.408 437 E N 0.809 121.041 120.200 0.052 0.000 2.058 437 E HA -0.147 4.203 4.350 -0.000 0.000 0.194 437 E C 1.956 178.614 176.600 0.097 0.000 0.997 437 E CA 2.051 58.443 56.400 -0.013 0.000 0.801 437 E CB -0.672 28.881 29.700 -0.246 0.000 0.746 437 E HN 0.421 nan 8.360 nan 0.000 0.450 438 G N -0.125 108.790 108.800 0.191 0.000 2.443 438 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.219 438 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.219 438 G C 1.667 176.686 174.900 0.199 0.000 1.131 438 G CA 0.892 46.130 45.100 0.230 0.000 0.775 438 G HN 0.463 nan 8.290 nan 0.000 0.547 439 A N 0.267 123.188 122.820 0.169 0.000 1.898 439 A HA 0.092 4.412 4.320 -0.000 0.000 0.216 439 A C 2.592 180.237 177.584 0.103 0.000 1.181 439 A CA 1.746 53.865 52.037 0.137 0.000 0.620 439 A CB -0.556 18.511 19.000 0.111 0.000 0.819 439 A HN 0.232 nan 8.150 nan 0.000 0.442 440 V N 0.126 120.091 119.914 0.085 0.000 2.261 440 V HA -0.267 3.853 4.120 -0.000 0.000 0.246 440 V C 2.545 178.679 176.094 0.067 0.000 1.047 440 V CA 2.232 64.568 62.300 0.059 0.000 1.015 440 V CB -0.790 31.059 31.823 0.044 0.000 0.642 440 V HN 0.744 nan 8.190 nan 0.000 0.446 441 E N 0.420 120.681 120.200 0.102 0.000 2.070 441 E HA -0.285 4.065 4.350 -0.000 0.000 0.197 441 E C 2.213 178.864 176.600 0.086 0.000 1.004 441 E CA 1.801 58.275 56.400 0.123 0.000 0.805 441 E CB -0.194 29.629 29.700 0.205 0.000 0.744 441 E HN 0.549 nan 8.360 nan 0.000 0.451 442 A N 0.534 123.423 122.820 0.116 0.000 1.930 442 A HA -0.032 4.288 4.320 -0.000 0.000 0.217 442 A C 2.388 179.992 177.584 0.034 0.000 1.175 442 A CA 1.569 53.662 52.037 0.093 0.000 0.627 442 A CB -0.886 18.217 19.000 0.171 0.000 0.815 442 A HN 0.445 nan 8.150 nan 0.000 0.443 443 G N -0.362 108.463 108.800 0.042 0.000 2.402 443 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.216 443 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.216 443 G C 1.425 176.308 174.900 -0.028 0.000 1.162 443 G CA 0.921 46.031 45.100 0.016 0.000 0.777 443 G HN 0.646 nan 8.290 nan 0.000 0.539 444 E N -0.192 119.989 120.200 -0.032 0.000 2.107 444 E HA -0.050 4.300 4.350 -0.000 0.000 0.191 444 E C 2.567 179.090 176.600 -0.127 0.000 0.982 444 E CA 0.249 56.613 56.400 -0.060 0.000 0.809 444 E CB -0.093 29.588 29.700 -0.031 0.000 0.756 444 E HN 0.178 nan 8.360 nan 0.000 0.459 445 R N 1.388 121.776 120.500 -0.187 0.000 2.075 445 R HA -0.058 4.282 4.340 -0.000 0.000 0.232 445 R C 2.096 178.211 176.300 -0.308 0.000 1.126 445 R CA 1.461 57.329 56.100 -0.386 0.000 0.963 445 R CB -0.371 29.509 30.300 -0.700 0.000 0.858 445 R HN 0.149 nan 8.270 nan 0.000 0.435 446 A N 0.966 123.678 122.820 -0.179 0.000 1.902 446 A HA -0.086 4.234 4.320 -0.000 0.000 0.217 446 A C 2.444 179.915 177.584 -0.189 0.000 1.181 446 A CA 1.933 53.905 52.037 -0.108 0.000 0.623 446 A CB -0.800 18.196 19.000 -0.007 0.000 0.818 446 A HN 0.499 nan 8.150 nan 0.000 0.443 447 A N -0.118 122.609 122.820 -0.155 0.000 1.908 447 A HA -0.205 4.115 4.320 -0.000 0.000 0.218 447 A C 2.242 179.695 177.584 -0.218 0.000 1.181 447 A CA 1.638 53.574 52.037 -0.169 0.000 0.627 447 A CB -0.505 18.433 19.000 -0.103 0.000 0.818 447 A HN 0.564 nan 8.150 nan 0.000 0.445 448 R N -0.442 119.938 120.500 -0.201 0.000 2.115 448 R HA -0.107 4.233 4.340 -0.000 0.000 0.230 448 R C 2.034 178.203 176.300 -0.218 0.000 1.111 448 R CA 1.343 57.330 56.100 -0.188 0.000 0.976 448 R CB -0.298 29.903 30.300 -0.165 0.000 0.870 448 R HN 0.688 nan 8.270 nan 0.000 0.445 449 E N 0.650 120.678 120.200 -0.287 0.000 2.077 449 E HA -0.184 4.166 4.350 -0.000 0.000 0.193 449 E C 1.976 178.244 176.600 -0.553 0.000 0.989 449 E CA 1.088 57.309 56.400 -0.297 0.000 0.800 449 E CB -0.085 29.465 29.700 -0.250 0.000 0.746 449 E HN 0.333 nan 8.360 nan 0.000 0.452 450 I N 0.921 121.036 120.570 -0.759 0.000 2.202 450 I HA -0.275 3.895 4.170 -0.000 0.000 0.242 450 I C 2.328 178.112 176.117 -0.556 0.000 1.091 450 I CA 0.880 61.629 61.300 -0.918 0.000 1.368 450 I CB -0.162 37.357 38.000 -0.803 0.000 1.058 450 I HN 0.104 nan 8.210 nan 0.000 0.410 451 L N -0.067 120.960 121.223 -0.327 0.000 2.042 451 L HA -0.301 4.039 4.340 -0.000 0.000 0.210 451 L C 2.747 179.542 176.870 -0.126 0.000 1.076 451 L CA 1.754 56.485 54.840 -0.181 0.000 0.749 451 L CB -0.972 41.020 42.059 -0.112 0.000 0.893 451 L HN 0.371 nan 8.230 nan 0.000 0.432 452 H N 0.145 119.098 119.070 -0.194 0.000 2.321 452 H HA -0.132 4.424 4.556 -0.000 0.000 0.300 452 H C 2.123 177.381 175.328 -0.117 0.000 1.087 452 H CA 1.559 57.533 56.048 -0.123 0.000 1.319 452 H CB -0.022 29.685 29.762 -0.092 0.000 1.379 452 H HN 0.263 nan 8.280 nan 0.000 0.501 453 A N 0.523 123.149 122.820 -0.323 0.000 1.978 453 A HA -0.176 4.144 4.320 -0.000 0.000 0.220 453 A C 2.291 179.766 177.584 -0.183 0.000 1.170 453 A CA 1.861 53.723 52.037 -0.291 0.000 0.636 453 A CB -0.691 18.133 19.000 -0.295 0.000 0.810 453 A HN 0.581 nan 8.150 nan 0.000 0.448 454 M N -1.276 118.208 119.600 -0.195 0.000 2.618 454 M HA 0.146 4.626 4.480 -0.000 0.000 0.240 454 M C 1.381 177.641 176.300 -0.066 0.000 1.123 454 M CA 0.721 55.986 55.300 -0.058 0.000 1.060 454 M CB 0.069 32.642 32.600 -0.044 0.000 1.535 454 M HN 0.618 nan 8.290 nan 0.000 0.507 455 G N 1.138 109.862 108.800 -0.127 0.000 2.155 455 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.257 455 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.257 455 G C 0.917 175.795 174.900 -0.036 0.000 0.983 455 G CA 0.759 45.807 45.100 -0.087 0.000 0.676 455 G HN 0.480 nan 8.290 nan 0.000 0.528 456 K N -0.410 119.968 120.400 -0.036 0.000 2.228 456 K HA 0.294 4.614 4.320 -0.000 0.000 0.202 456 K C 1.445 178.048 176.600 0.004 0.000 1.051 456 K CA 1.351 57.627 56.287 -0.018 0.000 0.960 456 K CB 0.159 32.640 32.500 -0.032 0.000 0.743 456 K HN 0.820 nan 8.250 nan 0.000 0.458 457 I N -2.245 118.345 120.570 0.033 0.000 2.969 457 I HA 0.474 4.644 4.170 -0.000 0.000 0.307 457 I C -2.984 173.216 176.117 0.139 0.000 1.149 457 I CA -2.958 58.375 61.300 0.056 0.000 1.008 457 I CB 2.414 40.429 38.000 0.026 0.000 1.232 457 I HN -0.251 nan 8.210 nan 0.000 0.435 458 P HA 0.170 nan 4.420 nan 0.000 0.277 458 P C 0.187 177.474 177.300 -0.021 0.000 1.271 458 P CA -0.036 63.136 63.100 0.121 0.000 0.795 458 P CB 1.208 32.942 31.700 0.057 0.000 1.101 459 E N 0.438 120.530 120.200 -0.180 0.000 2.118 459 E HA -0.245 4.105 4.350 -0.000 0.000 0.195 459 E C 1.223 177.720 176.600 -0.172 0.000 0.992 459 E CA 1.688 57.807 56.400 -0.468 0.000 0.804 459 E CB -0.273 29.253 29.700 -0.290 0.000 0.741 459 E HN 0.459 nan 8.360 nan 0.000 0.458 460 D N -0.020 120.347 120.400 -0.056 0.000 2.371 460 D HA -0.157 4.483 4.640 -0.000 0.000 0.221 460 D C 0.904 177.223 176.300 0.031 0.000 0.986 460 D CA 0.730 54.736 54.000 0.010 0.000 0.899 460 D CB -0.150 40.660 40.800 0.017 0.000 0.902 460 D HN 0.361 nan 8.370 nan 0.000 0.530 461 E N -0.440 119.760 120.200 -0.000 0.000 2.481 461 E HA 0.194 4.544 4.350 -0.000 0.000 0.198 461 E C 1.893 178.485 176.600 -0.013 0.000 1.027 461 E CA -0.285 56.121 56.400 0.010 0.000 0.900 461 E CB 0.339 30.041 29.700 0.002 0.000 0.993 461 E HN 0.303 nan 8.360 nan 0.000 0.482 462 I N 0.076 120.624 120.570 -0.038 0.000 2.163 462 I HA -0.193 3.977 4.170 -0.000 0.000 0.243 462 I C 0.504 176.491 176.117 -0.217 0.000 1.085 462 I CA 1.258 62.470 61.300 -0.147 0.000 1.347 462 I CB 0.057 37.958 38.000 -0.166 0.000 1.044 462 I HN 0.092 nan 8.210 nan 0.000 0.408 463 W N 1.032 122.328 121.300 -0.006 0.000 2.478 463 W HA 0.516 5.176 4.660 -0.000 0.000 0.318 463 W C 0.055 176.581 176.519 0.011 0.000 1.062 463 W CA -0.295 57.060 57.345 0.016 0.000 1.210 463 W CB 0.796 30.268 29.460 0.021 0.000 1.325 463 W HN -0.093 nan 8.180 nan 0.000 0.496 464 Q N 2.598 122.533 119.800 0.224 0.000 2.337 464 Q HA 0.440 4.780 4.340 -0.000 0.000 0.270 464 Q C 0.043 176.125 176.000 0.137 0.000 1.043 464 Q CA -0.527 55.356 55.803 0.133 0.000 0.794 464 Q CB 1.703 30.482 28.738 0.068 0.000 1.281 464 Q HN 0.569 nan 8.270 nan 0.000 0.446 465 S N 2.508 118.272 115.700 0.105 0.000 2.596 465 S HA 0.311 4.781 4.470 -0.000 0.000 0.260 465 S C -0.190 174.458 174.600 0.079 0.000 1.336 465 S CA -0.522 57.732 58.200 0.091 0.000 0.993 465 S CB 1.251 64.487 63.200 0.060 0.000 0.923 465 S HN 0.681 nan 8.310 nan 0.000 0.567 466 E N 0.688 120.936 120.200 0.079 0.000 2.218 466 E HA 0.574 4.924 4.350 -0.000 0.000 0.263 466 E C -2.846 173.787 176.600 0.055 0.000 0.879 466 E CA -2.115 54.325 56.400 0.067 0.000 0.762 466 E CB 1.111 30.860 29.700 0.082 0.000 1.166 466 E HN 0.516 nan 8.360 nan 0.000 0.415 467 P HA 0.065 nan 4.420 nan 0.000 0.269 467 P C -0.748 176.572 177.300 0.033 0.000 1.215 467 P CA -0.190 62.930 63.100 0.033 0.000 0.780 467 P CB 0.493 32.208 31.700 0.025 0.000 0.898 468 E N 1.356 121.574 120.200 0.029 0.000 2.384 468 E HA 0.085 4.435 4.350 -0.000 0.000 0.266 468 E C -0.095 176.515 176.600 0.018 0.000 1.012 468 E CA -0.300 56.116 56.400 0.026 0.000 0.901 468 E CB 0.407 30.121 29.700 0.024 0.000 0.967 468 E HN 0.386 nan 8.360 nan 0.000 0.435 469 S N 2.974 118.682 115.700 0.012 0.000 2.552 469 S HA -0.060 4.410 4.470 -0.000 0.000 0.289 469 S C 1.160 175.764 174.600 0.006 0.000 1.304 469 S CA -0.059 58.145 58.200 0.007 0.000 1.063 469 S CB 0.879 64.076 63.200 -0.004 0.000 0.848 469 S HN 0.544 nan 8.310 nan 0.000 0.499 470 V N 1.822 121.742 119.914 0.009 0.000 2.951 470 V HA 0.076 4.196 4.120 -0.000 0.000 0.255 470 V C 1.454 177.551 176.094 0.005 0.000 1.088 470 V CA 1.444 63.749 62.300 0.008 0.000 1.109 470 V CB -0.549 31.280 31.823 0.010 0.000 0.724 470 V HN 0.825 nan 8.190 nan 0.000 0.471 471 D N 1.033 121.436 120.400 0.005 0.000 2.213 471 D HA 0.084 4.724 4.640 -0.000 0.000 0.205 471 D C 0.860 177.155 176.300 -0.009 0.000 0.961 471 D CA 1.217 55.219 54.000 0.003 0.000 0.853 471 D CB 0.775 41.581 40.800 0.011 0.000 0.967 471 D HN 0.523 nan 8.370 nan 0.000 0.496 472 V N 3.387 123.290 119.914 -0.018 0.000 2.468 472 V HA 0.184 4.304 4.120 -0.000 0.000 0.256 472 V C -2.407 173.670 176.094 -0.028 0.000 0.998 472 V CA -1.197 61.081 62.300 -0.037 0.000 1.114 472 V CB 1.199 32.981 31.823 -0.068 0.000 1.378 472 V HN -0.039 nan 8.190 nan 0.000 0.573 473 P HA 0.364 nan 4.420 nan 0.000 0.274 473 P C -0.249 177.046 177.300 -0.007 0.000 1.231 473 P CA 0.112 63.208 63.100 -0.007 0.000 0.790 473 P CB 1.509 33.208 31.700 -0.002 0.000 0.951 474 A N 2.760 125.582 122.820 0.003 0.000 2.327 474 A HA 0.384 4.704 4.320 -0.000 0.000 0.283 474 A C 0.156 177.744 177.584 0.006 0.000 1.127 474 A CA -0.384 51.658 52.037 0.008 0.000 0.810 474 A CB 0.151 19.167 19.000 0.027 0.000 1.066 474 A HN 0.455 nan 8.150 nan 0.000 0.492 475 Q N 1.101 120.903 119.800 0.003 0.000 2.226 475 Q HA 0.457 4.796 4.340 -0.000 0.000 0.256 475 Q C -2.483 173.519 176.000 0.003 0.000 0.962 475 Q CA -2.108 53.696 55.803 0.002 0.000 0.887 475 Q CB 0.488 29.225 28.738 -0.001 0.000 1.282 475 Q HN 0.453 nan 8.270 nan 0.000 0.449 476 P HA 0.099 nan 4.420 nan 0.000 0.269 476 P C -0.461 176.838 177.300 -0.002 0.000 1.209 476 P CA -0.093 63.007 63.100 -0.001 0.000 0.776 476 P CB 0.506 32.205 31.700 -0.000 0.000 0.876 477 I N 2.657 123.222 120.570 -0.007 0.000 2.325 477 I HA 0.195 4.365 4.170 -0.000 0.000 0.291 477 I C 1.020 177.133 176.117 -0.007 0.000 1.019 477 I CA 0.115 61.409 61.300 -0.009 0.000 1.302 477 I CB 0.244 38.232 38.000 -0.019 0.000 1.401 477 I HN 0.397 nan 8.210 nan 0.000 0.485 478 T N 2.080 116.634 114.554 0.001 0.000 2.940 478 T HA 0.837 5.187 4.350 -0.000 0.000 0.288 478 T C 0.020 174.725 174.700 0.009 0.000 1.045 478 T CA -0.695 61.409 62.100 0.006 0.000 1.018 478 T CB 2.195 71.073 68.868 0.016 0.000 1.151 478 T HN 0.612 nan 8.240 nan 0.000 0.529 479 T N -1.458 113.103 114.554 0.011 0.000 2.906 479 T HA 0.712 5.062 4.350 -0.000 0.000 0.295 479 T C 0.178 174.901 174.700 0.037 0.000 1.075 479 T CA -0.723 61.384 62.100 0.011 0.000 1.005 479 T CB 1.320 70.174 68.868 -0.025 0.000 1.136 479 T HN 1.030 nan 8.240 nan 0.000 0.498 480 T N -0.414 114.172 114.554 0.053 0.000 2.902 480 T HA 0.424 4.774 4.350 -0.000 0.000 0.280 480 T C 0.860 175.639 174.700 0.131 0.000 0.992 480 T CA -0.834 61.330 62.100 0.106 0.000 1.015 480 T CB 0.628 69.566 68.868 0.116 0.000 1.044 480 T HN 0.511 nan 8.240 nan 0.000 0.520 481 F N 0.656 120.647 119.950 0.069 0.000 2.091 481 F HA -0.048 4.479 4.527 -0.000 0.000 0.299 481 F C 2.040 177.924 175.800 0.140 0.000 1.103 481 F CA 1.508 59.587 58.000 0.132 0.000 1.228 481 F CB -0.460 38.610 39.000 0.117 0.000 0.984 481 F HN 0.508 nan 8.300 nan 0.000 0.477 482 L N -0.128 121.231 121.223 0.226 0.000 2.046 482 L HA -0.235 4.105 4.340 -0.000 0.000 0.208 482 L C 2.399 179.298 176.870 0.048 0.000 1.077 482 L CA 1.771 56.694 54.840 0.139 0.000 0.747 482 L CB -0.726 41.432 42.059 0.165 0.000 0.896 482 L HN 0.188 nan 8.230 nan 0.000 0.432 483 E N -0.294 119.933 120.200 0.045 0.000 2.085 483 E HA -0.238 4.112 4.350 -0.000 0.000 0.194 483 E C 2.328 178.845 176.600 -0.139 0.000 0.994 483 E CA 1.123 57.515 56.400 -0.013 0.000 0.801 483 E CB -0.010 29.688 29.700 -0.004 0.000 0.743 483 E HN 0.405 nan 8.360 nan 0.000 0.453 484 R N -0.453 119.888 120.500 -0.265 0.000 2.115 484 R HA -0.049 4.291 4.340 -0.000 0.000 0.226 484 R C 1.682 177.554 176.300 -0.713 0.000 1.100 484 R CA 0.975 56.759 56.100 -0.527 0.000 0.980 484 R CB 0.027 29.906 30.300 -0.701 0.000 0.875 484 R HN 0.318 nan 8.270 nan 0.000 0.445 485 H N -0.694 118.204 119.070 -0.287 0.000 3.046 485 H HA 0.225 4.781 4.556 -0.000 0.000 0.262 485 H C 0.503 175.743 175.328 -0.148 0.000 1.044 485 H CA -0.192 55.682 56.048 -0.290 0.000 1.209 485 H CB 0.483 29.909 29.762 -0.559 0.000 1.507 485 H HN -0.007 nan 8.280 nan 0.000 0.507 486 L N 4.383 125.598 121.223 -0.014 0.000 2.514 486 L HA 0.045 4.385 4.340 -0.000 0.000 0.280 486 L C -1.650 175.214 176.870 -0.010 0.000 1.223 486 L CA -1.276 53.580 54.840 0.026 0.000 0.864 486 L CB 0.172 42.287 42.059 0.093 0.000 1.118 486 L HN -0.008 nan 8.230 nan 0.000 0.494 487 P HA 0.122 nan 4.420 nan 0.000 0.276 487 P C -0.625 176.636 177.300 -0.066 0.000 1.244 487 P CA -0.581 62.494 63.100 -0.043 0.000 0.801 487 P CB 1.162 32.835 31.700 -0.045 0.000 1.006 488 S N 0.292 115.931 115.700 -0.101 0.000 2.617 488 S HA 0.087 4.557 4.470 -0.000 0.000 0.259 488 S C 1.535 176.006 174.600 -0.215 0.000 1.301 488 S CA -0.573 57.543 58.200 -0.139 0.000 0.984 488 S CB -0.339 62.775 63.200 -0.143 0.000 0.954 488 S HN 0.225 nan 8.310 nan 0.000 0.572 489 V N 2.270 121.990 119.914 -0.324 0.000 2.261 489 V HA -0.064 4.056 4.120 -0.000 0.000 0.246 489 V C -0.509 175.160 176.094 -0.708 0.000 1.047 489 V CA 1.922 63.924 62.300 -0.498 0.000 1.015 489 V CB -1.803 29.696 31.823 -0.540 0.000 0.642 489 V HN 0.816 nan 8.190 nan 0.000 0.446 490 P HA -0.038 nan 4.420 nan 0.000 0.229 490 P C 1.628 178.738 177.300 -0.316 0.000 1.160 490 P CA 1.638 64.329 63.100 -0.682 0.000 0.777 490 P CB -0.164 31.258 31.700 -0.464 0.000 0.814 491 G N 0.943 109.594 108.800 -0.248 0.000 2.404 491 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.214 491 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.214 491 G C 1.452 176.274 174.900 -0.131 0.000 1.189 491 G CA 0.372 45.385 45.100 -0.145 0.000 0.789 491 G HN 0.210 nan 8.290 nan 0.000 0.533 492 L N 0.629 121.762 121.223 -0.150 0.000 2.079 492 L HA 0.035 4.375 4.340 -0.000 0.000 0.210 492 L C 2.659 179.458 176.870 -0.118 0.000 1.081 492 L CA 1.346 56.116 54.840 -0.116 0.000 0.752 492 L CB -0.248 41.744 42.059 -0.111 0.000 0.896 492 L HN 0.217 nan 8.230 nan 0.000 0.433 493 L N -1.323 119.797 121.223 -0.171 0.000 2.217 493 L HA -0.101 4.239 4.340 -0.000 0.000 0.211 493 L C 2.209 179.025 176.870 -0.090 0.000 1.107 493 L CA 0.619 55.376 54.840 -0.137 0.000 0.783 493 L CB -0.515 41.430 42.059 -0.190 0.000 0.919 493 L HN 0.136 nan 8.230 nan 0.000 0.442 494 R N 0.173 120.618 120.500 -0.090 0.000 2.343 494 R HA 0.006 4.346 4.340 -0.000 0.000 0.202 494 R C 0.168 176.443 176.300 -0.041 0.000 1.023 494 R CA 0.265 56.333 56.100 -0.054 0.000 1.084 494 R CB 0.109 30.381 30.300 -0.047 0.000 0.956 494 R HN 0.181 nan 8.270 nan 0.000 0.478 495 L N 0.006 121.202 121.223 -0.045 0.000 3.110 495 L HA 0.364 4.704 4.340 -0.000 0.000 0.266 495 L C -0.473 176.381 176.870 -0.027 0.000 1.257 495 L CA 0.203 55.024 54.840 -0.032 0.000 1.038 495 L CB 0.379 42.420 42.059 -0.031 0.000 1.395 495 L HN -0.035 nan 8.230 nan 0.000 0.566 496 I N 0.000 120.553 120.570 -0.028 0.000 2.984 496 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 496 I CA 0.000 61.288 61.300 -0.020 0.000 1.566 496 I CB 0.000 37.986 38.000 -0.024 0.000 1.214 496 I HN 0.000 nan 8.210 nan 0.000 0.494