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 2gjm_1_A DATA FIRST_RESID 1 DATA SEQUENCE cDENSPYRTI TGDcNNRRSP ALGAANRALA RWLPAEYEDG LALPFGWTQR DATA SEQUENCE KTRNGFRVPL AREVSNKIVG YLDEEGVLDQ NRSLLFMQWG QIVDHDLDFA DATA SEQUENCE PETELGSNEH SKTQcEEYcI QGDNcFPIMF PKNDPKLKTQ GKcMPFFRAG DATA SEQUENCE FVCPTYQSLA REQINAVTSF LDASLVYGSE PSLASRLRNL SSPLGLMAVN DATA SEQUENCE QEAWDHGLAY LPFNNKKPSP cEFINTTARV PcFLAGDFRA SEQILLATAH DATA SEQUENCE TLLLREHNRL ARELKKLNPH WNGEKLYQEA RKILGAFIQI ITFRDYLPIV DATA SEQUENCE LGXSEMQKWI PPYQGYNNSV DPRISNVFTF AFRFGHMEVP STVSRLDENY DATA SEQUENCE QPWGPEAELP LHTLFFNTWR IIKDGGIDPL TRGLLAKKSK LMNQDKMVTS DATA SEQUENCE ELRNKLFQPT HKHGFDLAAI NLQRCRDHGM PGYNSWRGFc GLSQPKTLKG DATA SEQUENCE LQTVLKNKIL AKKLMDLYKT PDNIDIWIGG NAEPMVERGR VGPLLAcLLG DATA SEQUENCE RQFQQIRDGD RFWWENPGVF TEKQRDSLQK FSFSRLIcDN THITKVPXLH DATA SEQUENCE AFQANNYPHD FVDcSTVDKL DLSPWASREN VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 c HA 0.000 nan 4.570 nan 0.000 0.325 1 c C 0.000 174.110 174.090 0.034 0.000 1.270 1 c CA 0.000 56.354 56.329 0.041 0.000 1.963 1 c CB 0.000 42.539 42.510 0.049 0.000 2.134 2 D N 0.936 121.356 120.400 0.033 0.000 2.371 2 D HA -0.025 3.983 4.640 -1.053 0.000 0.234 2 D C 1.559 177.871 176.300 0.020 0.000 1.049 2 D CA 0.675 54.689 54.000 0.024 0.000 0.907 2 D CB 0.172 40.986 40.800 0.023 0.000 0.891 2 D HN 0.716 nan 8.370 nan 0.000 0.531 3 E N -0.857 119.360 120.200 0.028 0.000 3.729 3 E HA -0.346 3.372 4.350 -1.053 0.000 0.234 3 E C 0.349 176.953 176.600 0.007 0.000 0.708 3 E CA 1.547 57.959 56.400 0.021 0.000 0.924 3 E CB -0.792 28.917 29.700 0.016 0.000 1.497 3 E HN 0.412 nan 8.360 nan 0.000 0.422 4 N N -0.701 117.998 118.700 -0.002 0.000 2.184 4 N HA 0.053 4.161 4.740 -1.053 0.000 0.234 4 N C -0.825 174.657 175.510 -0.046 0.000 1.282 4 N CA 0.209 53.244 53.050 -0.025 0.000 0.877 4 N CB 1.348 39.818 38.487 -0.029 0.000 1.184 4 N HN -0.035 nan 8.380 nan 0.000 0.510 5 S N 1.127 116.811 115.700 -0.027 0.000 2.549 5 S HA 0.198 4.036 4.470 -1.053 0.000 0.283 5 S C -1.718 172.818 174.600 -0.107 0.000 1.320 5 S CA -0.950 57.204 58.200 -0.077 0.000 1.058 5 S CB 0.687 63.875 63.200 -0.019 0.000 0.882 5 S HN 0.051 nan 8.310 nan 0.000 0.498 6 P HA 0.194 nan 4.420 nan 0.000 0.249 6 P C -1.171 175.894 177.300 -0.391 0.000 1.229 6 P CA 0.370 63.231 63.100 -0.397 0.000 0.788 6 P CB 0.032 31.332 31.700 -0.668 0.000 1.072 7 Y N -0.565 119.692 120.300 -0.072 0.000 2.446 7 Y HA 0.452 4.368 4.550 -1.057 0.000 0.345 7 Y C 1.164 176.731 175.900 -0.556 0.000 0.984 7 Y CA -1.710 56.211 58.100 -0.298 0.000 1.058 7 Y CB 1.095 39.429 38.460 -0.211 0.000 1.220 7 Y HN -0.324 nan 8.280 nan 0.000 0.455 8 R N 0.292 120.376 120.500 -0.693 0.000 2.863 8 R HA 0.335 4.043 4.340 -1.053 0.000 0.273 8 R C 0.203 176.333 176.300 -0.283 0.000 1.057 8 R CA -0.007 55.646 56.100 -0.745 0.000 1.191 8 R CB 0.224 30.166 30.300 -0.597 0.000 1.104 8 R HN 0.806 nan 8.270 nan 0.000 0.519 9 T N -1.999 112.452 114.554 -0.170 0.000 2.927 9 T HA 0.256 3.974 4.350 -1.053 0.000 0.281 9 T C 1.415 176.107 174.700 -0.013 0.000 0.998 9 T CA -0.973 61.098 62.100 -0.048 0.000 1.019 9 T CB 0.845 69.714 68.868 0.002 0.000 1.061 9 T HN 0.254 nan 8.240 nan 0.000 0.518 10 I N 1.640 122.225 120.570 0.026 0.000 2.315 10 I HA -0.103 3.435 4.170 -1.053 0.000 0.248 10 I C 2.844 179.013 176.117 0.086 0.000 1.117 10 I CA 1.900 63.237 61.300 0.061 0.000 1.404 10 I CB -1.576 36.468 38.000 0.074 0.000 1.071 10 I HN 0.977 nan 8.210 nan 0.000 0.419 11 T N -1.984 112.618 114.554 0.080 0.000 3.118 11 T HA 0.158 3.876 4.350 -1.053 0.000 0.260 11 T C 1.632 176.416 174.700 0.140 0.000 1.139 11 T CA 0.849 63.006 62.100 0.094 0.000 1.085 11 T CB 0.023 68.934 68.868 0.073 0.000 0.934 11 T HN 0.497 nan 8.240 nan 0.000 0.518 12 G N 0.995 109.896 108.800 0.169 0.000 2.225 12 G HA2 -0.221 3.108 3.960 -1.053 0.000 0.254 12 G HA3 -0.221 3.108 3.960 -1.053 0.000 0.254 12 G C -0.130 174.958 174.900 0.314 0.000 0.988 12 G CA 0.066 45.357 45.100 0.318 0.000 0.625 12 G HN 0.592 nan 8.290 nan 0.000 0.527 13 D N -0.593 119.918 120.400 0.184 0.000 2.361 13 D HA 0.348 4.356 4.640 -1.053 0.000 0.239 13 D C 1.547 177.923 176.300 0.128 0.000 1.200 13 D CA 1.000 55.093 54.000 0.155 0.000 0.915 13 D CB 0.865 41.727 40.800 0.103 0.000 1.170 13 D HN 0.737 nan 8.370 nan 0.000 0.444 14 c N 0.588 119.265 118.600 0.128 0.000 4.663 14 c HA -0.179 3.759 4.570 -1.053 0.000 0.272 14 c C 2.051 176.219 174.090 0.130 0.000 1.566 14 c CA 0.208 56.605 56.329 0.113 0.000 1.735 14 c CB -2.489 40.075 42.510 0.090 0.000 1.857 14 c HN 0.773 nan 8.230 nan 0.000 0.674 15 N N 1.929 120.702 118.700 0.121 0.000 2.058 15 N HA -0.117 3.991 4.740 -1.053 0.000 0.191 15 N C 0.451 176.010 175.510 0.082 0.000 1.037 15 N CA 1.520 54.601 53.050 0.052 0.000 0.848 15 N CB -0.179 38.118 38.487 -0.316 0.000 1.021 15 N HN 0.814 nan 8.380 nan 0.000 0.422 16 N N 0.820 119.624 118.700 0.175 0.000 2.434 16 N HA 0.072 4.180 4.740 -1.053 0.000 0.272 16 N C 0.700 176.298 175.510 0.148 0.000 1.040 16 N CA -0.099 53.075 53.050 0.207 0.000 0.956 16 N CB 0.932 39.568 38.487 0.249 0.000 1.108 16 N HN 0.155 nan 8.380 nan 0.000 0.481 17 R N 2.509 123.086 120.500 0.129 0.000 2.073 17 R HA 0.051 3.759 4.340 -1.053 0.000 0.229 17 R C 1.913 178.260 176.300 0.078 0.000 1.120 17 R CA 1.187 57.341 56.100 0.090 0.000 0.967 17 R CB 0.200 30.543 30.300 0.072 0.000 0.862 17 R HN 0.556 nan 8.270 nan 0.000 0.436 18 R N -0.658 119.889 120.500 0.079 0.000 2.073 18 R HA 0.037 3.745 4.340 -1.053 0.000 0.229 18 R C 0.706 177.047 176.300 0.068 0.000 1.120 18 R CA 0.889 57.026 56.100 0.062 0.000 0.967 18 R CB 0.035 30.365 30.300 0.050 0.000 0.862 18 R HN -0.060 nan 8.270 nan 0.000 0.436 19 S N 0.925 116.678 115.700 0.088 0.000 2.269 19 S HA 0.226 4.064 4.470 -1.053 0.000 0.194 19 S C -1.828 172.840 174.600 0.114 0.000 1.547 19 S CA -1.751 56.504 58.200 0.091 0.000 1.186 19 S CB 1.080 64.335 63.200 0.091 0.000 1.069 19 S HN -0.001 nan 8.310 nan 0.000 0.473 20 P HA -0.164 nan 4.420 nan 0.000 0.217 20 P C 1.074 178.453 177.300 0.132 0.000 1.151 20 P CA 1.304 64.473 63.100 0.114 0.000 0.849 20 P CB 0.097 31.849 31.700 0.087 0.000 0.787 21 A N -1.116 121.771 122.820 0.112 0.000 2.206 21 A HA 0.039 3.727 4.320 -1.053 0.000 0.211 21 A C 1.144 178.806 177.584 0.129 0.000 1.158 21 A CA -0.132 51.971 52.037 0.110 0.000 0.761 21 A CB -1.111 17.935 19.000 0.076 0.000 0.801 21 A HN 0.145 nan 8.150 nan 0.000 0.473 22 L N 0.950 122.265 121.223 0.154 0.000 2.638 22 L HA 0.383 4.091 4.340 -1.053 0.000 0.273 22 L C 1.302 178.292 176.870 0.199 0.000 1.147 22 L CA 1.452 56.389 54.840 0.161 0.000 0.941 22 L CB -0.478 41.690 42.059 0.182 0.000 1.251 22 L HN 0.626 nan 8.230 nan 0.000 0.479 23 G N 2.750 111.572 108.800 0.037 0.000 2.176 23 G HA2 -0.165 3.163 3.960 -1.053 0.000 0.232 23 G HA3 -0.165 3.163 3.960 -1.053 0.000 0.232 23 G C 0.437 175.249 174.900 -0.146 0.000 0.986 23 G CA 0.075 45.032 45.100 -0.239 0.000 0.643 23 G HN 1.089 nan 8.290 nan 0.000 0.522 24 A N 0.131 122.996 122.820 0.076 0.000 2.313 24 A HA 0.899 4.587 4.320 -1.053 0.000 0.261 24 A C 1.019 178.631 177.584 0.046 0.000 1.090 24 A CA 0.940 53.048 52.037 0.119 0.000 0.807 24 A CB 0.479 19.557 19.000 0.130 0.000 1.055 24 A HN 2.060 nan 8.150 nan 0.000 0.492 25 A N 0.503 123.360 122.820 0.062 0.000 2.332 25 A HA 0.496 4.184 4.320 -1.053 0.000 0.258 25 A C 0.815 178.408 177.584 0.015 0.000 1.087 25 A CA 0.099 52.158 52.037 0.037 0.000 0.802 25 A CB -0.184 18.851 19.000 0.059 0.000 1.042 25 A HN 1.192 nan 8.150 nan 0.000 0.489 26 N N -0.698 117.995 118.700 -0.011 0.000 2.776 26 N HA -0.118 3.990 4.740 -1.053 0.000 0.250 26 N C -0.387 175.099 175.510 -0.041 0.000 1.112 26 N CA 1.015 54.041 53.050 -0.040 0.000 0.733 26 N CB -0.565 37.900 38.487 -0.038 0.000 1.097 26 N HN 0.701 nan 8.380 nan 0.000 0.558 27 R N 0.080 120.563 120.500 -0.028 0.000 2.902 27 R HA 0.712 4.420 4.340 -1.053 0.000 0.258 27 R C 0.231 176.516 176.300 -0.026 0.000 1.071 27 R CA -0.338 55.749 56.100 -0.020 0.000 1.024 27 R CB 0.894 31.195 30.300 0.000 0.000 1.184 27 R HN 0.124 nan 8.270 nan 0.000 0.492 28 A N 1.406 124.218 122.820 -0.014 0.000 2.425 28 A HA 0.254 3.942 4.320 -1.053 0.000 0.242 28 A C 0.231 177.811 177.584 -0.007 0.000 1.077 28 A CA -0.244 51.788 52.037 -0.008 0.000 0.781 28 A CB 0.041 19.050 19.000 0.014 0.000 1.020 28 A HN 0.544 nan 8.150 nan 0.000 0.494 29 L N 1.344 122.562 121.223 -0.009 0.000 2.426 29 L HA 0.364 4.072 4.340 -1.053 0.000 0.271 29 L C 1.099 177.964 176.870 -0.010 0.000 1.169 29 L CA -0.147 54.682 54.840 -0.019 0.000 0.836 29 L CB 0.675 42.731 42.059 -0.005 0.000 1.112 29 L HN 0.840 nan 8.230 nan 0.000 0.465 30 A N 4.624 127.426 122.820 -0.030 0.000 2.425 30 A HA 0.386 4.074 4.320 -1.053 0.000 0.242 30 A C -0.035 177.545 177.584 -0.005 0.000 1.077 30 A CA -0.285 51.763 52.037 0.020 0.000 0.781 30 A CB 0.241 19.287 19.000 0.076 0.000 1.020 30 A HN 0.642 nan 8.150 nan 0.000 0.494 31 R N 1.305 121.870 120.500 0.109 0.000 2.288 31 R HA 0.129 3.837 4.340 -1.053 0.000 0.326 31 R C -0.390 176.108 176.300 0.330 0.000 0.959 31 R CA -0.381 55.808 56.100 0.149 0.000 0.834 31 R CB 0.772 31.159 30.300 0.144 0.000 1.157 31 R HN 0.952 nan 8.270 nan 0.000 0.470 32 W N 2.180 123.569 121.300 0.147 0.000 2.584 32 W HA 0.150 4.178 4.660 -1.055 0.000 0.264 32 W C 0.454 177.028 176.519 0.091 0.000 1.264 32 W CA 0.249 57.681 57.345 0.145 0.000 1.306 32 W CB -0.001 29.508 29.460 0.082 0.000 1.110 32 W HN 0.265 nan 8.180 nan 0.000 0.606 33 L N -0.419 120.960 121.223 0.260 0.000 2.393 33 L HA 0.359 4.068 4.340 -1.053 0.000 0.260 33 L C -2.199 174.709 176.870 0.063 0.000 1.002 33 L CA -2.117 52.746 54.840 0.039 0.000 0.818 33 L CB 2.122 43.983 42.059 -0.330 0.000 1.369 33 L HN -0.517 nan 8.230 nan 0.000 0.412 34 P HA 0.099 nan 4.420 nan 0.000 0.266 34 P C -0.719 176.597 177.300 0.028 0.000 1.195 34 P CA -0.201 62.925 63.100 0.043 0.000 0.768 34 P CB 0.619 32.338 31.700 0.031 0.000 0.838 35 A N 2.861 125.706 122.820 0.042 0.000 2.498 35 A HA 0.096 3.784 4.320 -1.053 0.000 0.239 35 A C 0.141 177.678 177.584 -0.079 0.000 1.068 35 A CA 0.062 52.074 52.037 -0.041 0.000 0.766 35 A CB -0.180 18.822 19.000 0.003 0.000 1.003 35 A HN 0.559 nan 8.150 nan 0.000 0.497 36 E N 1.148 121.241 120.200 -0.177 0.000 2.149 36 E HA 0.404 4.122 4.350 -1.053 0.000 0.255 36 E C -1.722 174.820 176.600 -0.097 0.000 0.888 36 E CA -0.002 56.396 56.400 -0.003 0.000 0.742 36 E CB 0.998 30.783 29.700 0.142 0.000 1.164 36 E HN 0.636 nan 8.360 nan 0.000 0.422 37 Y N 0.630 120.920 120.300 -0.017 0.000 2.509 37 Y HA 0.106 4.024 4.550 -1.053 0.000 0.341 37 Y C 1.565 177.040 175.900 -0.708 0.000 1.038 37 Y CA -0.800 57.099 58.100 -0.336 0.000 1.089 37 Y CB 1.357 39.665 38.460 -0.254 0.000 1.241 37 Y HN 0.481 nan 8.280 nan 0.000 0.468 38 E N 0.917 120.565 120.200 -0.921 0.000 2.058 38 E HA -0.240 3.478 4.350 -1.053 0.000 0.194 38 E C 0.620 177.023 176.600 -0.328 0.000 0.997 38 E CA 1.888 57.770 56.400 -0.863 0.000 0.801 38 E CB 0.047 29.405 29.700 -0.570 0.000 0.746 38 E HN 0.842 nan 8.360 nan 0.000 0.450 39 D N -1.458 118.785 120.400 -0.263 0.000 2.358 39 D HA 0.075 4.083 4.640 -1.053 0.000 0.224 39 D C 1.135 177.356 176.300 -0.132 0.000 1.123 39 D CA 0.603 54.496 54.000 -0.179 0.000 0.833 39 D CB 0.213 40.881 40.800 -0.221 0.000 0.946 39 D HN 0.368 nan 8.370 nan 0.000 0.505 40 G N 0.473 109.225 108.800 -0.080 0.000 2.205 40 G HA2 -0.357 2.971 3.960 -1.053 0.000 0.269 40 G HA3 -0.357 2.971 3.960 -1.053 0.000 0.269 40 G C 0.812 175.717 174.900 0.007 0.000 0.977 40 G CA 1.028 46.132 45.100 0.006 0.000 0.652 40 G HN 0.480 nan 8.290 nan 0.000 0.539 41 L N -2.496 118.645 121.223 -0.138 0.000 2.641 41 L HA 0.627 4.336 4.340 -1.053 0.000 0.207 41 L C 2.332 178.805 176.870 -0.663 0.000 1.049 41 L CA 1.198 55.885 54.840 -0.256 0.000 0.866 41 L CB 0.153 42.065 42.059 -0.246 0.000 1.264 41 L HN 0.421 nan 8.230 nan 0.000 0.483 42 A N -1.702 120.607 122.820 -0.851 0.000 2.414 42 A HA 0.290 3.978 4.320 -1.053 0.000 0.165 42 A C -0.177 176.804 177.584 -1.004 0.000 1.718 42 A CA -0.218 51.083 52.037 -1.227 0.000 1.268 42 A CB 0.346 18.868 19.000 -0.797 0.000 1.547 42 A HN 0.027 nan 8.150 nan 0.000 0.462 43 L N 2.999 123.786 121.223 -0.726 0.000 2.410 43 L HA 0.324 4.033 4.340 -1.053 0.000 0.273 43 L C -2.102 174.535 176.870 -0.387 0.000 1.144 43 L CA -1.847 52.553 54.840 -0.733 0.000 0.863 43 L CB 0.151 41.755 42.059 -0.758 0.000 1.140 43 L HN 0.199 nan 8.230 nan 0.000 0.463 44 P HA 0.088 nan 4.420 nan 0.000 0.274 44 P C -0.443 176.834 177.300 -0.037 0.000 1.237 44 P CA -0.422 62.641 63.100 -0.061 0.000 0.793 44 P CB 0.554 32.182 31.700 -0.121 0.000 0.977 45 F N 0.220 120.269 119.950 0.165 0.000 2.471 45 F HA 0.344 4.239 4.527 -1.053 0.000 0.353 45 F C 1.970 177.935 175.800 0.274 0.000 1.113 45 F CA 2.014 60.125 58.000 0.187 0.000 1.262 45 F CB 0.041 39.132 39.000 0.151 0.000 1.146 45 F HN 0.705 nan 8.300 nan 0.000 0.578 46 G N 2.373 111.440 108.800 0.445 0.000 2.213 46 G HA2 -0.296 3.032 3.960 -1.053 0.000 0.236 46 G HA3 -0.296 3.032 3.960 -1.053 0.000 0.236 46 G C 1.059 176.200 174.900 0.401 0.000 0.991 46 G CA 0.209 45.534 45.100 0.375 0.000 0.629 46 G HN 0.781 nan 8.290 nan 0.000 0.517 47 W N 1.785 123.197 121.300 0.186 0.000 2.352 47 W HA 0.062 4.090 4.660 -1.053 0.000 0.322 47 W C 0.319 176.884 176.519 0.077 0.000 1.208 47 W CA 1.949 59.356 57.345 0.103 0.000 1.286 47 W CB -0.549 28.824 29.460 -0.146 0.000 1.167 47 W HN 0.196 nan 8.180 nan 0.000 0.469 48 T N 3.207 117.972 114.554 0.351 0.000 2.739 48 T HA 0.143 3.861 4.350 -1.053 0.000 0.298 48 T C -0.498 174.277 174.700 0.124 0.000 0.929 48 T CA -0.160 62.058 62.100 0.197 0.000 1.014 48 T CB 0.739 69.741 68.868 0.223 0.000 0.914 48 T HN -0.058 nan 8.240 nan 0.000 0.509 49 Q N 3.523 123.358 119.800 0.058 0.000 2.300 49 Q HA 0.303 4.011 4.340 -1.053 0.000 0.262 49 Q C 1.255 177.288 176.000 0.055 0.000 1.109 49 Q CA 0.080 55.916 55.803 0.054 0.000 0.905 49 Q CB 0.201 28.947 28.738 0.014 0.000 1.280 49 Q HN 0.800 nan 8.270 nan 0.000 0.426 50 R N 0.990 121.534 120.500 0.073 0.000 1.480 50 R HA -0.058 3.650 4.340 -1.053 0.000 0.033 50 R C -0.817 175.529 176.300 0.076 0.000 0.819 50 R CA -0.193 55.944 56.100 0.062 0.000 3.549 50 R CB -0.346 29.984 30.300 0.050 0.000 0.704 50 R HN 0.328 nan 8.270 nan 0.000 0.583 51 K N 3.618 124.078 120.400 0.101 0.000 2.349 51 K HA 0.177 3.865 4.320 -1.053 0.000 0.288 51 K C 0.091 176.792 176.600 0.168 0.000 1.058 51 K CA 0.652 57.013 56.287 0.122 0.000 0.953 51 K CB 1.529 34.108 32.500 0.132 0.000 0.997 51 K HN 0.382 nan 8.250 nan 0.000 0.477 52 T N 0.497 115.138 114.554 0.144 0.000 2.814 52 T HA 0.300 4.018 4.350 -1.053 0.000 0.284 52 T C 0.065 174.890 174.700 0.208 0.000 0.998 52 T CA -0.883 61.306 62.100 0.150 0.000 0.935 52 T CB 1.193 70.095 68.868 0.058 0.000 1.167 52 T HN 0.564 nan 8.240 nan 0.000 0.545 53 R N 0.681 121.253 120.500 0.121 0.000 2.468 53 R HA 0.281 3.989 4.340 -1.053 0.000 0.302 53 R C -0.591 175.700 176.300 -0.014 0.000 1.041 53 R CA -0.437 55.637 56.100 -0.044 0.000 0.899 53 R CB 0.002 30.082 30.300 -0.367 0.000 1.167 53 R HN 0.831 nan 8.270 nan 0.000 0.483 54 N N 2.918 121.606 118.700 -0.020 0.000 2.776 54 N HA -0.190 3.919 4.740 -1.053 0.000 0.249 54 N C 0.527 175.949 175.510 -0.146 0.000 1.111 54 N CA 1.613 54.650 53.050 -0.023 0.000 0.711 54 N CB -1.062 37.450 38.487 0.041 0.000 1.065 54 N HN 1.084 nan 8.380 nan 0.000 0.556 55 G N -2.058 106.622 108.800 -0.200 0.000 2.195 55 G HA2 -0.297 3.031 3.960 -1.053 0.000 0.246 55 G HA3 -0.297 3.031 3.960 -1.053 0.000 0.246 55 G C -0.042 174.487 174.900 -0.618 0.000 0.984 55 G CA 0.431 45.260 45.100 -0.453 0.000 0.633 55 G HN 0.402 nan 8.290 nan 0.000 0.525 56 F N -0.067 119.904 119.950 0.036 0.000 2.593 56 F HA 0.740 4.636 4.527 -1.053 0.000 0.320 56 F C 0.828 176.657 175.800 0.049 0.000 1.060 56 F CA -1.278 56.745 58.000 0.039 0.000 0.940 56 F CB 1.240 40.262 39.000 0.037 0.000 1.268 56 F HN -0.115 nan 8.300 nan 0.000 0.475 57 R N 0.903 121.557 120.500 0.257 0.000 2.441 57 R HA 0.498 4.207 4.340 -1.053 0.000 0.284 57 R C -0.957 175.427 176.300 0.140 0.000 1.070 57 R CA -0.710 55.489 56.100 0.166 0.000 1.047 57 R CB 1.116 31.485 30.300 0.115 0.000 1.016 57 R HN 0.510 nan 8.270 nan 0.000 0.477 58 V N 1.374 121.369 119.914 0.134 0.000 2.583 58 V HA 0.341 3.830 4.120 -1.053 0.000 0.287 58 V C -1.682 174.417 176.094 0.008 0.000 1.051 58 V CA -1.951 60.408 62.300 0.098 0.000 1.010 58 V CB 0.575 32.497 31.823 0.165 0.000 0.988 58 V HN 0.705 nan 8.190 nan 0.000 0.478 59 P HA 0.262 nan 4.420 nan 0.000 0.271 59 P C -0.148 177.082 177.300 -0.117 0.000 1.218 59 P CA -0.495 62.495 63.100 -0.183 0.000 0.780 59 P CB 0.892 32.350 31.700 -0.403 0.000 0.901 60 L N 1.570 122.740 121.223 -0.089 0.000 2.514 60 L HA -0.029 3.679 4.340 -1.053 0.000 0.280 60 L C 2.041 178.869 176.870 -0.071 0.000 1.223 60 L CA -0.158 54.636 54.840 -0.077 0.000 0.864 60 L CB 0.082 42.105 42.059 -0.061 0.000 1.118 60 L HN 0.507 nan 8.230 nan 0.000 0.494 61 A N 3.477 126.249 122.820 -0.081 0.000 1.851 61 A HA -0.237 3.451 4.320 -1.053 0.000 0.216 61 A C 2.256 179.838 177.584 -0.002 0.000 1.195 61 A CA 1.883 53.892 52.037 -0.045 0.000 0.622 61 A CB -0.429 18.500 19.000 -0.118 0.000 0.831 61 A HN 0.869 nan 8.150 nan 0.000 0.444 62 R N 0.189 120.684 120.500 -0.008 0.000 2.127 62 R HA -0.137 3.571 4.340 -1.053 0.000 0.238 62 R C 1.958 178.286 176.300 0.047 0.000 1.134 62 R CA 2.102 58.233 56.100 0.052 0.000 0.975 62 R CB -0.554 29.818 30.300 0.119 0.000 0.865 62 R HN 0.718 nan 8.270 nan 0.000 0.447 63 E N -0.770 119.438 120.200 0.014 0.000 2.072 63 E HA -0.094 3.624 4.350 -1.053 0.000 0.190 63 E C 1.729 178.330 176.600 0.001 0.000 0.982 63 E CA 1.284 57.684 56.400 -0.001 0.000 0.803 63 E CB 0.170 29.851 29.700 -0.031 0.000 0.755 63 E HN 0.208 nan 8.360 nan 0.000 0.453 64 V N 0.632 120.545 119.914 -0.001 0.000 2.407 64 V HA -0.242 3.246 4.120 -1.053 0.000 0.248 64 V C 2.410 178.561 176.094 0.094 0.000 1.055 64 V CA 1.804 64.123 62.300 0.032 0.000 1.049 64 V CB -0.464 31.404 31.823 0.075 0.000 0.662 64 V HN 0.232 nan 8.190 nan 0.000 0.455 65 S N 0.524 116.289 115.700 0.107 0.000 2.348 65 S HA -0.216 3.622 4.470 -1.053 0.000 0.221 65 S C 1.924 176.583 174.600 0.098 0.000 1.033 65 S CA 2.033 60.313 58.200 0.134 0.000 1.010 65 S CB -0.389 62.882 63.200 0.119 0.000 0.891 65 S HN 0.675 nan 8.310 nan 0.000 0.442 66 N N 1.425 120.161 118.700 0.061 0.000 2.084 66 N HA -0.016 4.093 4.740 -1.053 0.000 0.190 66 N C 1.739 177.274 175.510 0.042 0.000 1.030 66 N CA 1.107 54.180 53.050 0.038 0.000 0.849 66 N CB -0.250 38.244 38.487 0.012 0.000 1.012 66 N HN 0.411 nan 8.380 nan 0.000 0.423 67 K N 0.106 120.528 120.400 0.036 0.000 2.076 67 K HA 0.096 3.785 4.320 -1.053 0.000 0.204 67 K C 1.677 178.307 176.600 0.049 0.000 1.051 67 K CA 0.687 56.993 56.287 0.032 0.000 0.949 67 K CB 0.162 32.669 32.500 0.012 0.000 0.726 67 K HN 0.206 nan 8.250 nan 0.000 0.443 68 I N 0.192 120.801 120.570 0.066 0.000 2.899 68 I HA -0.079 3.459 4.170 -1.053 0.000 0.257 68 I C 2.316 178.493 176.117 0.100 0.000 1.115 68 I CA 0.577 61.921 61.300 0.073 0.000 1.451 68 I CB -0.955 37.090 38.000 0.075 0.000 1.251 68 I HN -0.235 nan 8.210 nan 0.000 0.456 69 V N 1.471 121.468 119.914 0.138 0.000 2.667 69 V HA 0.015 3.503 4.120 -1.053 0.000 0.252 69 V C 1.440 177.672 176.094 0.230 0.000 1.065 69 V CA 1.149 63.563 62.300 0.190 0.000 1.083 69 V CB -1.148 30.835 31.823 0.266 0.000 0.692 69 V HN 0.418 nan 8.190 nan 0.000 0.468 70 G N -0.987 107.925 108.800 0.186 0.000 2.502 70 G HA2 0.580 3.908 3.960 -1.053 0.000 0.305 70 G HA3 0.580 3.908 3.960 -1.053 0.000 0.305 70 G C -1.032 174.035 174.900 0.279 0.000 1.190 70 G CA -0.210 44.998 45.100 0.182 0.000 0.933 70 G HN 0.477 nan 8.290 nan 0.000 0.503 71 Y N -2.370 117.962 120.300 0.053 0.000 2.713 71 Y HA 0.560 4.478 4.550 -1.053 0.000 0.335 71 Y C -0.314 175.611 175.900 0.041 0.000 1.222 71 Y CA -1.212 56.914 58.100 0.043 0.000 1.061 71 Y CB 0.890 39.378 38.460 0.046 0.000 1.314 71 Y HN 0.297 nan 8.280 nan 0.000 0.453 72 L N -0.195 121.107 121.223 0.131 0.000 2.433 72 L HA 0.212 3.921 4.340 -1.053 0.000 0.200 72 L C 0.061 177.000 176.870 0.116 0.000 1.059 72 L CA 0.228 55.088 54.840 0.034 0.000 0.835 72 L CB 0.174 42.260 42.059 0.046 0.000 1.076 72 L HN 0.652 nan 8.230 nan 0.000 0.481 73 D N 1.055 121.590 120.400 0.226 0.000 2.359 73 D HA -0.011 3.998 4.640 -1.053 0.000 0.250 73 D C 0.690 177.160 176.300 0.284 0.000 1.264 73 D CA 0.294 54.413 54.000 0.199 0.000 0.911 73 D CB 1.226 42.107 40.800 0.136 0.000 1.056 73 D HN -0.020 nan 8.370 nan 0.000 0.499 74 E N 2.235 122.572 120.200 0.230 0.000 2.511 74 E HA -0.032 3.686 4.350 -1.053 0.000 0.196 74 E C 0.234 176.930 176.600 0.160 0.000 1.066 74 E CA 0.125 56.678 56.400 0.253 0.000 0.871 74 E CB 0.039 29.843 29.700 0.173 0.000 0.863 74 E HN 0.575 nan 8.360 nan 0.000 0.520 75 E N -1.057 119.214 120.200 0.118 0.000 2.366 75 E HA 0.226 3.944 4.350 -1.053 0.000 0.266 75 E C 0.593 177.231 176.600 0.063 0.000 1.051 75 E CA 0.483 56.931 56.400 0.081 0.000 0.884 75 E CB 0.493 30.232 29.700 0.065 0.000 1.006 75 E HN 0.265 nan 8.360 nan 0.000 0.417 76 G N 2.576 111.407 108.800 0.051 0.000 2.189 76 G HA2 -0.298 3.030 3.960 -1.053 0.000 0.267 76 G HA3 -0.298 3.030 3.960 -1.053 0.000 0.267 76 G C 0.789 175.704 174.900 0.026 0.000 0.975 76 G CA 0.417 45.537 45.100 0.034 0.000 0.644 76 G HN 0.490 nan 8.290 nan 0.000 0.537 77 V N 0.899 120.838 119.914 0.041 0.000 3.217 77 V HA 0.276 3.764 4.120 -1.053 0.000 0.264 77 V C 1.665 177.794 176.094 0.058 0.000 1.135 77 V CA 0.973 63.292 62.300 0.033 0.000 1.142 77 V CB -0.149 31.717 31.823 0.073 0.000 0.754 77 V HN 0.437 nan 8.190 nan 0.000 0.484 78 L N 0.595 121.859 121.223 0.069 0.000 2.417 78 L HA 0.243 3.951 4.340 -1.053 0.000 0.268 78 L C 0.386 177.297 176.870 0.068 0.000 1.158 78 L CA -0.138 54.750 54.840 0.080 0.000 0.819 78 L CB 0.214 42.322 42.059 0.082 0.000 1.112 78 L HN 0.077 nan 8.230 nan 0.000 0.458 79 D N 2.527 122.976 120.400 0.082 0.000 2.344 79 D HA -0.029 3.979 4.640 -1.053 0.000 0.253 79 D C 0.809 177.138 176.300 0.048 0.000 1.255 79 D CA -0.106 53.932 54.000 0.064 0.000 0.894 79 D CB 1.119 41.971 40.800 0.087 0.000 1.067 79 D HN 0.408 nan 8.370 nan 0.000 0.492 80 Q N 2.445 122.264 119.800 0.032 0.000 2.515 80 Q HA -0.142 3.566 4.340 -1.053 0.000 0.215 80 Q C 0.367 176.378 176.000 0.018 0.000 0.983 80 Q CA 0.798 56.618 55.803 0.029 0.000 0.905 80 Q CB -0.034 28.716 28.738 0.021 0.000 0.961 80 Q HN 0.418 nan 8.270 nan 0.000 0.503 81 N N -0.018 118.680 118.700 -0.003 0.000 2.577 81 N HA 0.075 4.183 4.740 -1.053 0.000 0.285 81 N C -1.441 174.029 175.510 -0.067 0.000 1.658 81 N CA -0.066 52.970 53.050 -0.024 0.000 0.865 81 N CB 0.567 39.031 38.487 -0.038 0.000 1.419 81 N HN -0.165 nan 8.380 nan 0.000 0.495 82 R N 0.256 120.737 120.500 -0.031 0.000 2.522 82 R HA 0.346 4.054 4.340 -1.053 0.000 0.283 82 R C -0.421 175.947 176.300 0.112 0.000 1.074 82 R CA -0.482 55.593 56.100 -0.041 0.000 0.925 82 R CB 1.173 31.373 30.300 -0.167 0.000 1.205 82 R HN 0.333 nan 8.270 nan 0.000 0.436 83 S N 1.645 117.445 115.700 0.167 0.000 2.634 83 S HA 0.256 4.095 4.470 -1.053 0.000 0.261 83 S C 1.361 176.100 174.600 0.231 0.000 1.271 83 S CA -0.758 57.544 58.200 0.170 0.000 0.985 83 S CB 0.757 64.029 63.200 0.120 0.000 0.968 83 S HN 0.664 nan 8.310 nan 0.000 0.568 84 L N 0.092 121.419 121.223 0.173 0.000 2.362 84 L HA -0.015 3.694 4.340 -1.053 0.000 0.219 84 L C 2.078 179.043 176.870 0.159 0.000 1.134 84 L CA 0.699 55.636 54.840 0.161 0.000 0.807 84 L CB -0.436 41.690 42.059 0.111 0.000 0.927 84 L HN 0.748 nan 8.230 nan 0.000 0.447 85 L N -1.118 120.189 121.223 0.140 0.000 2.217 85 L HA -0.187 3.521 4.340 -1.053 0.000 0.211 85 L C 2.055 179.131 176.870 0.343 0.000 1.107 85 L CA 1.434 56.316 54.840 0.071 0.000 0.783 85 L CB -0.626 41.306 42.059 -0.211 0.000 0.919 85 L HN 0.154 nan 8.230 nan 0.000 0.442 86 F N -0.194 119.967 119.950 0.352 0.000 2.046 86 F HA -0.286 3.607 4.527 -1.056 0.000 0.297 86 F C 2.503 178.535 175.800 0.387 0.000 1.123 86 F CA 2.334 60.632 58.000 0.496 0.000 1.199 86 F CB -0.551 38.651 39.000 0.337 0.000 0.972 86 F HN 0.189 nan 8.300 nan 0.000 0.474 87 M N 0.346 120.033 119.600 0.145 0.000 2.080 87 M HA -0.259 3.590 4.480 -1.053 0.000 0.260 87 M C 2.196 178.448 176.300 -0.080 0.000 1.068 87 M CA 2.088 57.364 55.300 -0.039 0.000 1.109 87 M CB -1.042 31.602 32.600 0.072 0.000 1.342 87 M HN 0.395 nan 8.290 nan 0.000 0.405 88 Q N -0.280 119.524 119.800 0.007 0.000 2.170 88 Q HA -0.209 3.500 4.340 -1.053 0.000 0.203 88 Q C 1.824 177.776 176.000 -0.079 0.000 0.976 88 Q CA 2.074 57.851 55.803 -0.044 0.000 0.858 88 Q CB -0.809 27.930 28.738 0.002 0.000 0.907 88 Q HN 0.734 nan 8.270 nan 0.000 0.433 89 W N -0.372 120.804 121.300 -0.206 0.000 2.518 89 W HA 0.032 4.062 4.660 -1.049 0.000 0.273 89 W C 1.414 177.604 176.519 -0.549 0.000 1.247 89 W CA 1.088 58.247 57.345 -0.310 0.000 1.288 89 W CB -0.087 29.287 29.460 -0.144 0.000 1.107 89 W HN 0.306 nan 8.180 nan 0.000 0.586 90 G N 0.386 108.870 108.800 -0.527 0.000 2.408 90 G HA2 -0.335 2.994 3.960 -1.053 0.000 0.217 90 G HA3 -0.335 2.994 3.960 -1.053 0.000 0.217 90 G C 1.385 175.833 174.900 -0.753 0.000 1.150 90 G CA 0.863 45.603 45.100 -0.600 0.000 0.776 90 G HN 0.377 nan 8.290 nan 0.000 0.542 91 Q N -0.408 119.007 119.800 -0.641 0.000 2.224 91 Q HA 0.062 3.770 4.340 -1.053 0.000 0.203 91 Q C 2.357 177.874 176.000 -0.805 0.000 0.970 91 Q CA 0.542 55.913 55.803 -0.721 0.000 0.865 91 Q CB -0.118 28.283 28.738 -0.562 0.000 0.922 91 Q HN 0.557 nan 8.270 nan 0.000 0.445 92 I N -0.740 119.405 120.570 -0.708 0.000 2.235 92 I HA -0.236 3.303 4.170 -1.053 0.000 0.241 92 I C 2.100 177.876 176.117 -0.568 0.000 1.085 92 I CA 0.557 61.448 61.300 -0.682 0.000 1.378 92 I CB -0.036 37.455 38.000 -0.848 0.000 1.076 92 I HN 0.050 nan 8.210 nan 0.000 0.415 93 V N 0.892 120.402 119.914 -0.673 0.000 2.324 93 V HA -0.380 3.109 4.120 -1.053 0.000 0.250 93 V C 2.299 178.451 176.094 0.098 0.000 1.060 93 V CA 2.321 64.482 62.300 -0.233 0.000 1.042 93 V CB -0.717 31.081 31.823 -0.042 0.000 0.650 93 V HN 0.566 nan 8.190 nan 0.000 0.450 94 D N -0.469 119.898 120.400 -0.054 0.000 2.103 94 D HA -0.248 3.760 4.640 -1.053 0.000 0.190 94 D C 1.924 178.312 176.300 0.148 0.000 0.997 94 D CA 2.025 56.033 54.000 0.013 0.000 0.833 94 D CB -0.252 40.247 40.800 -0.501 0.000 0.961 94 D HN 0.682 nan 8.370 nan 0.000 0.447 95 H N -0.514 118.477 119.070 -0.133 0.000 2.545 95 H HA -0.081 3.843 4.556 -1.053 0.000 0.282 95 H C 1.573 176.879 175.328 -0.036 0.000 1.020 95 H CA 0.526 56.512 56.048 -0.104 0.000 1.243 95 H CB 0.387 30.058 29.762 -0.151 0.000 1.377 95 H HN 0.237 nan 8.280 nan 0.000 0.581 96 D N 0.742 121.206 120.400 0.107 0.000 2.183 96 D HA -0.063 3.945 4.640 -1.053 0.000 0.205 96 D C 2.066 178.454 176.300 0.148 0.000 0.962 96 D CA 0.445 54.508 54.000 0.106 0.000 0.849 96 D CB 0.327 41.175 40.800 0.079 0.000 0.978 96 D HN 0.338 nan 8.370 nan 0.000 0.488 97 L N 0.285 121.621 121.223 0.188 0.000 2.162 97 L HA 0.098 3.806 4.340 -1.053 0.000 0.205 97 L C 0.574 177.531 176.870 0.144 0.000 1.086 97 L CA 0.655 55.599 54.840 0.174 0.000 0.778 97 L CB -0.020 42.184 42.059 0.241 0.000 0.928 97 L HN 0.053 nan 8.230 nan 0.000 0.446 98 D N -1.803 118.703 120.400 0.176 0.000 2.661 98 D HA 0.355 4.364 4.640 -1.053 0.000 0.228 98 D C -1.418 174.998 176.300 0.195 0.000 1.210 98 D CA -0.419 53.671 54.000 0.150 0.000 0.826 98 D CB 3.046 43.930 40.800 0.140 0.000 1.542 98 D HN -0.213 nan 8.370 nan 0.000 0.447 99 F N 0.850 120.774 119.950 -0.043 0.000 3.055 99 F HA 0.489 4.385 4.527 -1.052 0.000 0.358 99 F C -1.754 174.001 175.800 -0.074 0.000 1.262 99 F CA -0.959 56.990 58.000 -0.084 0.000 1.172 99 F CB 1.433 40.374 39.000 -0.098 0.000 1.503 99 F HN 0.597 nan 8.300 nan 0.000 0.621 100 A N 7.370 130.067 122.820 -0.204 0.000 2.582 100 A HA 0.704 4.392 4.320 -1.053 0.000 0.336 100 A C -2.640 174.609 177.584 -0.558 0.000 1.445 100 A CA -1.462 50.396 52.037 -0.298 0.000 0.997 100 A CB -0.531 18.485 19.000 0.026 0.000 1.148 100 A HN 0.425 nan 8.150 nan 0.000 0.514 101 P HA 0.135 nan 4.420 nan 0.000 0.269 101 P C 0.167 177.221 177.300 -0.410 0.000 1.209 101 P CA 0.030 62.618 63.100 -0.855 0.000 0.776 101 P CB 0.615 31.801 31.700 -0.857 0.000 0.876 102 E N 0.151 120.165 120.200 -0.309 0.000 2.409 102 E HA 0.125 3.843 4.350 -1.053 0.000 0.257 102 E C 0.119 176.604 176.600 -0.192 0.000 1.150 102 E CA -0.130 56.157 56.400 -0.188 0.000 0.942 102 E CB 0.273 29.871 29.700 -0.170 0.000 0.979 102 E HN 0.471 nan 8.360 nan 0.000 0.447 103 T N -0.276 114.219 114.554 -0.099 0.000 2.901 103 T HA 0.088 3.806 4.350 -1.053 0.000 0.301 103 T C 0.566 175.173 174.700 -0.155 0.000 1.012 103 T CA -0.642 61.395 62.100 -0.104 0.000 1.135 103 T CB 1.493 70.377 68.868 0.027 0.000 0.936 103 T HN 0.347 nan 8.240 nan 0.000 0.539 104 E N 1.035 121.129 120.200 -0.176 0.000 2.797 104 E HA 0.139 3.857 4.350 -1.053 0.000 0.315 104 E C 0.937 177.456 176.600 -0.133 0.000 0.666 104 E CA 0.091 56.383 56.400 -0.180 0.000 1.587 104 E CB -0.161 29.430 29.700 -0.181 0.000 1.775 104 E HN 0.667 nan 8.360 nan 0.000 0.522 105 L N -0.349 120.808 121.223 -0.110 0.000 3.991 105 L HA -0.249 3.460 4.340 -1.053 0.000 0.437 105 L C 0.341 177.172 176.870 -0.065 0.000 1.138 105 L CA 1.194 55.992 54.840 -0.070 0.000 0.964 105 L CB -1.910 40.126 42.059 -0.038 0.000 1.867 105 L HN 0.316 nan 8.230 nan 0.000 1.028 106 G N -0.635 108.105 108.800 -0.100 0.000 2.753 106 G HA2 0.673 4.001 3.960 -1.053 0.000 0.282 106 G HA3 0.673 4.001 3.960 -1.053 0.000 0.282 106 G C -0.465 174.370 174.900 -0.110 0.000 1.512 106 G CA 0.229 45.266 45.100 -0.106 0.000 1.076 106 G HN 0.583 nan 8.290 nan 0.000 0.545 107 S N 1.743 117.396 115.700 -0.077 0.000 2.760 107 S HA 0.317 4.155 4.470 -1.053 0.000 0.157 107 S C -0.362 174.213 174.600 -0.042 0.000 0.650 107 S CA -0.534 57.624 58.200 -0.069 0.000 0.855 107 S CB -0.091 63.068 63.200 -0.067 0.000 1.516 107 S HN 1.731 nan 8.310 nan 0.000 0.483 108 N N 0.107 118.786 118.700 -0.035 0.000 3.256 108 N HA -0.147 3.961 4.740 -1.053 0.000 0.244 108 N C -0.769 174.750 175.510 0.015 0.000 1.124 108 N CA 1.247 54.292 53.050 -0.008 0.000 0.811 108 N CB -1.018 37.468 38.487 -0.002 0.000 1.128 108 N HN 0.928 nan 8.380 nan 0.000 0.544 109 E N -0.682 119.519 120.200 0.000 0.000 2.195 109 E HA 0.460 4.178 4.350 -1.053 0.000 0.271 109 E C 0.191 176.818 176.600 0.045 0.000 0.923 109 E CA -0.450 55.970 56.400 0.034 0.000 0.790 109 E CB 0.747 30.451 29.700 0.007 0.000 1.155 109 E HN 0.326 nan 8.360 nan 0.000 0.402 110 H N 1.429 120.523 119.070 0.039 0.000 2.529 110 H HA 0.226 4.151 4.556 -1.053 0.000 0.277 110 H C 1.264 176.649 175.328 0.094 0.000 1.004 110 H CA 0.706 56.791 56.048 0.062 0.000 1.167 110 H CB 0.699 30.494 29.762 0.055 0.000 1.445 110 H HN 0.404 nan 8.280 nan 0.000 0.554 111 S N -0.266 115.534 115.700 0.165 0.000 2.439 111 S HA -0.023 3.815 4.470 -1.053 0.000 0.224 111 S C 1.697 176.431 174.600 0.223 0.000 1.029 111 S CA 0.447 58.760 58.200 0.188 0.000 0.946 111 S CB 0.164 63.468 63.200 0.174 0.000 0.797 111 S HN 0.361 nan 8.310 nan 0.000 0.504 112 K N 0.262 120.743 120.400 0.134 0.000 2.283 112 K HA 0.034 3.722 4.320 -1.053 0.000 0.202 112 K C 1.588 178.293 176.600 0.174 0.000 1.048 112 K CA 1.474 57.841 56.287 0.133 0.000 0.948 112 K CB -0.099 32.364 32.500 -0.062 0.000 0.742 112 K HN 0.292 nan 8.250 nan 0.000 0.458 113 T N 0.351 114.958 114.554 0.087 0.000 3.039 113 T HA -0.067 3.651 4.350 -1.053 0.000 0.250 113 T C 1.717 176.509 174.700 0.154 0.000 1.052 113 T CA 0.393 62.524 62.100 0.052 0.000 1.125 113 T CB 0.216 69.004 68.868 -0.133 0.000 0.908 113 T HN 0.221 nan 8.240 nan 0.000 0.473 114 Q N 0.029 119.962 119.800 0.220 0.000 2.297 114 Q HA -0.036 3.672 4.340 -1.053 0.000 0.204 114 Q C 2.280 178.425 176.000 0.241 0.000 0.962 114 Q CA 1.049 57.034 55.803 0.304 0.000 0.879 114 Q CB -0.360 28.525 28.738 0.246 0.000 0.947 114 Q HN 0.497 nan 8.270 nan 0.000 0.462 115 c N -0.154 118.565 118.600 0.199 0.000 2.538 115 c HA 0.057 3.995 4.570 -1.053 0.000 0.281 115 c C 2.369 176.488 174.090 0.049 0.000 1.320 115 c CA 0.350 56.740 56.329 0.101 0.000 1.714 115 c CB -0.507 42.054 42.510 0.084 0.000 2.095 115 c HN 0.577 nan 8.230 nan 0.000 0.497 116 E N 0.722 120.992 120.200 0.116 0.000 2.012 116 E HA -0.179 3.540 4.350 -1.053 0.000 0.197 116 E C 2.136 178.702 176.600 -0.058 0.000 1.007 116 E CA 1.459 57.888 56.400 0.049 0.000 0.816 116 E CB -0.397 29.381 29.700 0.130 0.000 0.762 116 E HN 0.632 nan 8.360 nan 0.000 0.451 117 E N -0.048 120.096 120.200 -0.093 0.000 2.031 117 E HA -0.171 3.547 4.350 -1.053 0.000 0.193 117 E C 1.977 178.256 176.600 -0.534 0.000 0.994 117 E CA 1.388 57.569 56.400 -0.365 0.000 0.800 117 E CB -0.369 29.009 29.700 -0.537 0.000 0.752 117 E HN 0.445 nan 8.360 nan 0.000 0.447 118 Y N -1.315 118.986 120.300 0.002 0.000 2.467 118 Y HA 0.199 4.117 4.550 -1.053 0.000 0.250 118 Y C 0.909 176.781 175.900 -0.045 0.000 1.155 118 Y CA -0.343 57.748 58.100 -0.014 0.000 1.249 118 Y CB -0.039 38.424 38.460 0.004 0.000 1.146 118 Y HN -0.025 nan 8.280 nan 0.000 0.524 119 c N 1.468 120.088 118.600 0.033 0.000 4.356 119 c HA -0.178 3.761 4.570 -1.053 0.000 0.296 119 c C 0.150 174.219 174.090 -0.035 0.000 1.424 119 c CA -0.914 55.385 56.329 -0.050 0.000 2.000 119 c CB -2.922 39.520 42.510 -0.114 0.000 1.262 119 c HN 0.226 nan 8.230 nan 0.000 0.789 120 I N 1.418 122.002 120.570 0.022 0.000 2.322 120 I HA 0.194 3.732 4.170 -1.053 0.000 0.292 120 I C 0.728 176.817 176.117 -0.047 0.000 1.060 120 I CA 0.470 61.764 61.300 -0.010 0.000 1.309 120 I CB 0.384 38.396 38.000 0.020 0.000 1.415 120 I HN 0.534 nan 8.210 nan 0.000 0.492 121 Q N 4.996 124.719 119.800 -0.128 0.000 2.337 121 Q HA 0.481 4.189 4.340 -1.053 0.000 0.270 121 Q C -0.148 175.752 176.000 -0.167 0.000 1.002 121 Q CA 0.045 55.714 55.803 -0.224 0.000 0.888 121 Q CB 0.845 29.317 28.738 -0.443 0.000 1.222 121 Q HN 0.930 nan 8.270 nan 0.000 0.400 122 G N 2.945 111.732 108.800 -0.022 0.000 2.405 122 G HA2 0.199 3.527 3.960 -1.053 0.000 0.303 122 G HA3 0.199 3.527 3.960 -1.053 0.000 0.303 122 G C -1.172 173.933 174.900 0.341 0.000 1.644 122 G CA -0.184 45.030 45.100 0.190 0.000 0.899 122 G HN 0.773 nan 8.290 nan 0.000 0.667 123 D N 0.021 120.645 120.400 0.375 0.000 3.740 123 D HA -0.246 3.762 4.640 -1.053 0.000 0.147 123 D C 1.028 177.516 176.300 0.314 0.000 0.885 123 D CA 1.636 55.788 54.000 0.254 0.000 1.051 123 D CB -0.361 40.550 40.800 0.186 0.000 0.480 123 D HN 0.486 nan 8.370 nan 0.000 0.469 124 N N 0.271 119.139 118.700 0.281 0.000 2.398 124 N HA 0.041 4.149 4.740 -1.053 0.000 0.188 124 N C 0.303 176.044 175.510 0.386 0.000 1.122 124 N CA 0.136 53.382 53.050 0.327 0.000 0.866 124 N CB -0.066 38.604 38.487 0.304 0.000 0.970 124 N HN 0.285 nan 8.380 nan 0.000 0.462 125 c N 1.575 120.366 118.600 0.318 0.000 2.281 125 c HA 0.374 4.313 4.570 -1.053 0.000 0.336 125 c C -0.218 174.026 174.090 0.257 0.000 1.217 125 c CA -0.688 55.717 56.329 0.126 0.000 1.730 125 c CB -1.774 40.764 42.510 0.047 0.000 2.338 125 c HN 0.237 nan 8.230 nan 0.000 0.521 126 F N 9.122 129.129 119.950 0.095 0.000 2.531 126 F HA 0.473 4.368 4.527 -1.053 0.000 0.333 126 F C -2.370 173.407 175.800 -0.038 0.000 1.292 126 F CA -3.163 54.904 58.000 0.112 0.000 1.184 126 F CB 0.250 39.471 39.000 0.368 0.000 1.426 126 F HN 0.458 nan 8.300 nan 0.000 0.559 127 P HA 0.036 nan 4.420 nan 0.000 0.267 127 P C -0.229 176.786 177.300 -0.474 0.000 1.201 127 P CA 0.452 63.373 63.100 -0.298 0.000 0.775 127 P CB 0.776 32.325 31.700 -0.252 0.000 0.854 128 I N 2.863 123.180 120.570 -0.422 0.000 2.337 128 I HA 0.186 3.724 4.170 -1.053 0.000 0.285 128 I C 0.176 176.020 176.117 -0.456 0.000 1.041 128 I CA -0.681 60.357 61.300 -0.436 0.000 1.199 128 I CB 0.499 38.307 38.000 -0.321 0.000 1.370 128 I HN 0.124 nan 8.210 nan 0.000 0.470 129 M N 5.814 125.194 119.600 -0.367 0.000 2.233 129 M HA 0.306 4.154 4.480 -1.053 0.000 0.350 129 M C -0.235 175.941 176.300 -0.206 0.000 1.176 129 M CA -0.055 55.050 55.300 -0.325 0.000 1.150 129 M CB -0.232 32.250 32.600 -0.197 0.000 1.530 129 M HN 0.232 nan 8.290 nan 0.000 0.459 130 F N 4.750 124.640 119.950 -0.100 0.000 2.443 130 F HA 0.265 4.160 4.527 -1.053 0.000 0.353 130 F C -1.248 174.511 175.800 -0.070 0.000 1.101 130 F CA -1.576 56.373 58.000 -0.084 0.000 1.226 130 F CB 0.579 39.531 39.000 -0.080 0.000 1.140 130 F HN 0.404 nan 8.300 nan 0.000 0.557 131 P HA 0.068 nan 4.420 nan 0.000 0.277 131 P C -1.022 176.301 177.300 0.039 0.000 1.271 131 P CA -0.689 62.443 63.100 0.053 0.000 0.795 131 P CB 0.926 32.640 31.700 0.025 0.000 1.101 132 K N 0.607 121.015 120.400 0.014 0.000 2.295 132 K HA 0.019 3.707 4.320 -1.053 0.000 0.270 132 K C 0.314 176.906 176.600 -0.012 0.000 1.011 132 K CA 0.180 56.469 56.287 0.003 0.000 0.953 132 K CB -0.466 32.033 32.500 -0.001 0.000 0.956 132 K HN 0.510 nan 8.250 nan 0.000 0.477 133 N N 1.158 119.844 118.700 -0.023 0.000 2.829 133 N HA -0.197 3.911 4.740 -1.053 0.000 0.250 133 N C -1.353 174.121 175.510 -0.059 0.000 1.090 133 N CA 0.571 53.600 53.050 -0.036 0.000 0.781 133 N CB -0.517 37.954 38.487 -0.026 0.000 1.124 133 N HN 0.602 nan 8.380 nan 0.000 0.559 134 D N 0.044 120.392 120.400 -0.086 0.000 2.232 134 D HA 0.201 4.209 4.640 -1.053 0.000 0.242 134 D C -1.583 174.589 176.300 -0.212 0.000 1.093 134 D CA -2.076 51.829 54.000 -0.159 0.000 0.845 134 D CB 1.483 42.153 40.800 -0.216 0.000 1.124 134 D HN -0.087 nan 8.370 nan 0.000 0.467 135 P HA -0.097 nan 4.420 nan 0.000 0.218 135 P C 0.906 178.050 177.300 -0.261 0.000 1.148 135 P CA 1.121 64.112 63.100 -0.183 0.000 0.822 135 P CB 0.369 31.983 31.700 -0.143 0.000 0.784 136 K N -0.959 119.171 120.400 -0.450 0.000 2.362 136 K HA -0.035 3.653 4.320 -1.053 0.000 0.200 136 K C 1.930 178.210 176.600 -0.533 0.000 1.046 136 K CA 0.610 56.533 56.287 -0.607 0.000 0.952 136 K CB -0.487 31.369 32.500 -1.073 0.000 0.753 136 K HN 0.195 nan 8.250 nan 0.000 0.466 137 L N 1.062 122.028 121.223 -0.429 0.000 2.017 137 L HA -0.236 3.473 4.340 -1.053 0.000 0.208 137 L C 2.129 178.958 176.870 -0.068 0.000 1.073 137 L CA 1.539 56.310 54.840 -0.116 0.000 0.745 137 L CB -0.219 41.810 42.059 -0.051 0.000 0.894 137 L HN 0.143 nan 8.230 nan 0.000 0.432 138 K N -0.896 119.445 120.400 -0.097 0.000 2.097 138 K HA -0.163 3.526 4.320 -1.053 0.000 0.206 138 K C 1.885 178.452 176.600 -0.055 0.000 1.049 138 K CA 1.980 58.229 56.287 -0.063 0.000 0.933 138 K CB -0.198 32.262 32.500 -0.067 0.000 0.717 138 K HN 0.507 nan 8.250 nan 0.000 0.442 139 T N -2.692 111.815 114.554 -0.077 0.000 3.000 139 T HA 0.081 3.800 4.350 -1.053 0.000 0.248 139 T C 1.791 176.470 174.700 -0.035 0.000 1.034 139 T CA -0.073 61.995 62.100 -0.054 0.000 1.060 139 T CB 0.286 69.116 68.868 -0.062 0.000 0.983 139 T HN 0.082 nan 8.240 nan 0.000 0.482 140 Q N 0.532 120.312 119.800 -0.034 0.000 2.390 140 Q HA 0.537 4.245 4.340 -1.053 0.000 0.216 140 Q C 1.275 177.313 176.000 0.063 0.000 0.916 140 Q CA 0.475 56.287 55.803 0.016 0.000 0.911 140 Q CB 0.968 29.725 28.738 0.032 0.000 1.035 140 Q HN 0.666 nan 8.270 nan 0.000 0.541 141 G N 0.519 109.401 108.800 0.135 0.000 2.470 141 G HA2 -0.054 3.274 3.960 -1.053 0.000 0.145 141 G HA3 -0.054 3.274 3.960 -1.053 0.000 0.145 141 G C -0.827 174.206 174.900 0.222 0.000 1.223 141 G CA -0.426 44.740 45.100 0.110 0.000 1.058 141 G HN -0.016 nan 8.290 nan 0.000 0.469 142 K N -0.531 119.911 120.400 0.070 0.000 2.373 142 K HA 0.439 4.127 4.320 -1.053 0.000 0.200 142 K C 0.415 176.784 176.600 -0.384 0.000 1.054 142 K CA 0.714 57.015 56.287 0.023 0.000 1.065 142 K CB 1.095 33.576 32.500 -0.031 0.000 0.886 142 K HN 1.046 nan 8.250 nan 0.000 0.546 143 c N -1.639 116.555 118.600 -0.678 0.000 3.284 143 c HA 0.606 4.544 4.570 -1.053 0.000 0.348 143 c C -1.646 171.928 174.090 -0.861 0.000 1.448 143 c CA -1.252 54.467 56.329 -1.016 0.000 1.223 143 c CB 0.906 43.105 42.510 -0.519 0.000 1.588 143 c HN 0.078 nan 8.230 nan 0.000 0.451 144 M N 3.086 122.286 119.600 -0.666 0.000 2.134 144 M HA 0.447 4.296 4.480 -1.053 0.000 0.310 144 M C -2.492 173.700 176.300 -0.181 0.000 0.966 144 M CA -1.470 53.606 55.300 -0.374 0.000 0.922 144 M CB 2.290 34.758 32.600 -0.220 0.000 1.537 144 M HN 0.613 nan 8.290 nan 0.000 0.424 145 P HA 0.098 nan 4.420 nan 0.000 0.267 145 P C -1.290 175.987 177.300 -0.038 0.000 1.200 145 P CA 0.244 63.244 63.100 -0.167 0.000 0.772 145 P CB 0.593 32.209 31.700 -0.140 0.000 0.855 146 F N 3.127 122.797 119.950 -0.465 0.000 2.604 146 F HA 0.531 4.426 4.527 -1.053 0.000 0.316 146 F C -1.984 173.552 175.800 -0.440 0.000 1.136 146 F CA -1.050 56.798 58.000 -0.253 0.000 0.989 146 F CB 1.149 40.059 39.000 -0.150 0.000 1.258 146 F HN 0.070 nan 8.300 nan 0.000 0.451 147 F N 4.505 124.334 119.950 -0.202 0.000 2.495 147 F HA 0.617 4.513 4.527 -1.053 0.000 0.327 147 F C 0.283 176.037 175.800 -0.078 0.000 1.103 147 F CA -0.954 57.047 58.000 0.001 0.000 0.949 147 F CB 1.625 40.608 39.000 -0.028 0.000 1.142 147 F HN 0.287 nan 8.300 nan 0.000 0.457 148 R N 1.546 122.269 120.500 0.372 0.000 2.623 148 R HA 0.455 4.163 4.340 -1.053 0.000 0.271 148 R C 0.166 176.592 176.300 0.209 0.000 1.043 148 R CA -0.330 55.982 56.100 0.353 0.000 1.083 148 R CB 0.379 30.867 30.300 0.313 0.000 0.974 148 R HN 0.786 nan 8.270 nan 0.000 0.436 149 A N 2.097 125.039 122.820 0.204 0.000 2.429 149 A HA 0.329 4.017 4.320 -1.053 0.000 0.242 149 A C 0.687 178.325 177.584 0.090 0.000 1.088 149 A CA 0.171 52.273 52.037 0.108 0.000 0.784 149 A CB 0.138 19.261 19.000 0.204 0.000 1.038 149 A HN 0.784 nan 8.150 nan 0.000 0.501 150 G N -0.827 107.952 108.800 -0.036 0.000 2.569 150 G HA2 0.509 3.837 3.960 -1.053 0.000 0.249 150 G HA3 0.509 3.837 3.960 -1.053 0.000 0.249 150 G C -0.381 174.511 174.900 -0.014 0.000 1.216 150 G CA -0.194 44.845 45.100 -0.102 0.000 0.845 150 G HN 0.934 nan 8.290 nan 0.000 0.568 151 F N -0.401 119.458 119.950 -0.151 0.000 2.593 151 F HA 0.661 4.556 4.527 -1.053 0.000 0.320 151 F C 0.778 176.472 175.800 -0.178 0.000 1.060 151 F CA -1.376 56.530 58.000 -0.156 0.000 0.940 151 F CB 0.272 39.183 39.000 -0.148 0.000 1.268 151 F HN 0.422 nan 8.300 nan 0.000 0.475 152 V N -0.636 119.255 119.914 -0.039 0.000 2.277 152 V HA -0.261 3.227 4.120 -1.053 0.000 0.210 152 V C 1.921 177.887 176.094 -0.214 0.000 0.963 152 V CA 1.013 63.237 62.300 -0.127 0.000 1.031 152 V CB -1.628 30.163 31.823 -0.053 0.000 0.665 152 V HN 1.126 nan 8.190 nan 0.000 0.476 153 C N 0.539 119.727 119.300 -0.187 0.000 2.189 153 C HA -0.220 3.608 4.460 -1.053 0.000 0.241 153 C C 0.462 175.260 174.990 -0.320 0.000 1.054 153 C CA 2.171 61.037 59.018 -0.254 0.000 1.822 153 C CB -3.030 24.501 27.740 -0.349 0.000 1.728 153 C HN 0.675 nan 8.230 nan 0.000 0.382 154 P HA 0.267 nan 4.420 nan 0.000 0.320 154 P C 0.097 177.059 177.300 -0.564 0.000 1.402 154 P CA 1.366 64.224 63.100 -0.402 0.000 0.873 154 P CB 0.140 31.668 31.700 -0.287 0.000 2.179 155 T N -5.631 108.560 114.554 -0.606 0.000 5.400 155 T HA 0.255 3.973 4.350 -1.053 0.000 0.310 155 T C -0.840 173.806 174.700 -0.090 0.000 0.919 155 T CA -0.314 61.341 62.100 -0.741 0.000 0.419 155 T CB -1.568 67.006 68.868 -0.489 0.000 0.482 155 T HN 0.380 nan 8.240 nan 0.000 0.210 156 Y N 0.844 121.158 120.300 0.023 0.000 3.132 156 Y HA 0.349 4.267 4.550 -1.052 0.000 0.427 156 Y C -0.320 175.532 175.900 -0.079 0.000 1.173 156 Y CA -0.419 57.678 58.100 -0.005 0.000 1.196 156 Y CB -0.033 38.450 38.460 0.038 0.000 2.175 156 Y HN 0.193 nan 8.280 nan 0.000 0.436 157 Q N -1.057 118.314 119.800 -0.716 0.000 2.093 157 Q HA 0.206 3.915 4.340 -1.053 0.000 0.188 157 Q C 0.762 176.406 176.000 -0.594 0.000 0.697 157 Q CA 0.458 55.942 55.803 -0.532 0.000 0.827 157 Q CB 0.373 28.907 28.738 -0.340 0.000 1.250 157 Q HN 0.355 nan 8.270 nan 0.000 0.413 158 S N 1.934 117.089 115.700 -0.908 0.000 2.415 158 S HA -0.042 3.796 4.470 -1.053 0.000 0.236 158 S C 1.113 175.569 174.600 -0.240 0.000 1.295 158 S CA 0.957 58.857 58.200 -0.500 0.000 2.080 158 S CB -0.488 62.452 63.200 -0.435 0.000 0.831 158 S HN 0.352 nan 8.310 nan 0.000 0.368 159 L N 0.376 121.543 121.223 -0.092 0.000 2.682 159 L HA 0.457 4.166 4.340 -1.053 0.000 0.209 159 L C 0.557 177.411 176.870 -0.027 0.000 1.195 159 L CA -0.591 54.240 54.840 -0.016 0.000 0.869 159 L CB 0.067 42.161 42.059 0.058 0.000 1.599 159 L HN 0.500 nan 8.230 nan 0.000 0.518 160 A N 0.879 123.706 122.820 0.011 0.000 2.388 160 A HA 0.227 3.915 4.320 -1.053 0.000 0.257 160 A C -0.036 177.559 177.584 0.019 0.000 1.095 160 A CA -0.224 51.822 52.037 0.014 0.000 0.791 160 A CB 0.141 19.212 19.000 0.118 0.000 1.029 160 A HN 0.666 nan 8.150 nan 0.000 0.489 161 R N 1.652 122.074 120.500 -0.129 0.000 2.480 161 R HA 0.103 3.811 4.340 -1.053 0.000 0.303 161 R C -0.753 175.604 176.300 0.096 0.000 0.985 161 R CA 0.729 56.748 56.100 -0.136 0.000 1.051 161 R CB 0.181 30.191 30.300 -0.484 0.000 0.935 161 R HN 0.655 nan 8.270 nan 0.000 0.410 162 E N 4.102 124.352 120.200 0.082 0.000 2.185 162 E HA 0.128 3.846 4.350 -1.053 0.000 0.261 162 E C -0.771 175.858 176.600 0.050 0.000 0.879 162 E CA -0.968 55.482 56.400 0.082 0.000 0.756 162 E CB 1.808 31.554 29.700 0.076 0.000 1.152 162 E HN 0.520 nan 8.360 nan 0.000 0.416 163 Q N 1.196 120.980 119.800 -0.027 0.000 2.394 163 Q HA 0.330 4.038 4.340 -1.053 0.000 0.248 163 Q C 0.252 176.213 176.000 -0.065 0.000 0.992 163 Q CA 0.130 55.871 55.803 -0.103 0.000 0.888 163 Q CB 0.793 29.316 28.738 -0.359 0.000 1.257 163 Q HN 0.471 nan 8.270 nan 0.000 0.462 164 I N 1.265 121.779 120.570 -0.093 0.000 2.677 164 I HA 0.242 3.780 4.170 -1.053 0.000 0.305 164 I C 0.089 176.145 176.117 -0.101 0.000 0.988 164 I CA -0.670 60.568 61.300 -0.104 0.000 1.260 164 I CB 0.997 38.901 38.000 -0.159 0.000 1.410 164 I HN 0.476 nan 8.210 nan 0.000 0.523 165 N N 3.192 121.845 118.700 -0.078 0.000 2.573 165 N HA 0.353 4.461 4.740 -1.053 0.000 0.262 165 N C -0.002 175.483 175.510 -0.043 0.000 1.029 165 N CA -0.433 52.588 53.050 -0.049 0.000 0.882 165 N CB 1.738 40.212 38.487 -0.022 0.000 1.204 165 N HN 0.693 nan 8.380 nan 0.000 0.519 166 A N 2.175 124.957 122.820 -0.064 0.000 2.255 166 A HA 0.171 3.859 4.320 -1.053 0.000 0.206 166 A C 0.654 178.289 177.584 0.084 0.000 1.193 166 A CA 0.548 52.572 52.037 -0.021 0.000 0.794 166 A CB -0.480 18.466 19.000 -0.090 0.000 0.794 166 A HN 0.511 nan 8.150 nan 0.000 0.481 167 V N -3.758 116.213 119.914 0.095 0.000 3.074 167 V HA 0.755 4.244 4.120 -1.053 0.000 0.314 167 V C -0.017 176.119 176.094 0.070 0.000 1.117 167 V CA -0.306 62.058 62.300 0.108 0.000 1.014 167 V CB 1.082 32.988 31.823 0.138 0.000 1.057 167 V HN 0.362 nan 8.190 nan 0.000 0.438 168 T N -0.055 114.554 114.554 0.091 0.000 2.919 168 T HA 0.260 3.978 4.350 -1.053 0.000 0.302 168 T C 1.029 175.718 174.700 -0.017 0.000 1.031 168 T CA 0.418 62.562 62.100 0.073 0.000 1.127 168 T CB 0.949 69.944 68.868 0.212 0.000 0.952 168 T HN 0.870 nan 8.240 nan 0.000 0.540 169 S N 1.456 117.008 115.700 -0.246 0.000 2.428 169 S HA 0.104 3.943 4.470 -1.053 0.000 0.230 169 S C 0.384 174.836 174.600 -0.247 0.000 1.014 169 S CA 0.265 58.279 58.200 -0.309 0.000 0.957 169 S CB -0.520 62.409 63.200 -0.451 0.000 0.784 169 S HN 0.691 nan 8.310 nan 0.000 0.499 170 F N 1.439 121.472 119.950 0.139 0.000 2.506 170 F HA 0.212 4.107 4.527 -1.054 0.000 0.351 170 F C 0.611 176.540 175.800 0.216 0.000 1.136 170 F CA -0.827 57.287 58.000 0.190 0.000 1.298 170 F CB 0.191 39.309 39.000 0.196 0.000 1.145 170 F HN 0.008 nan 8.300 nan 0.000 0.593 171 L N 4.423 125.926 121.223 0.466 0.000 2.395 171 L HA 0.171 3.879 4.340 -1.053 0.000 0.268 171 L C -0.211 176.877 176.870 0.364 0.000 1.223 171 L CA -0.138 54.947 54.840 0.408 0.000 1.093 171 L CB -0.615 41.760 42.059 0.527 0.000 1.349 171 L HN 0.730 nan 8.230 nan 0.000 0.427 172 D N 2.780 123.364 120.400 0.307 0.000 2.720 172 D HA 0.160 4.168 4.640 -1.053 0.000 0.285 172 D C 0.729 177.168 176.300 0.232 0.000 1.359 172 D CA 0.161 54.313 54.000 0.253 0.000 0.818 172 D CB 0.654 41.594 40.800 0.234 0.000 1.108 172 D HN 0.371 nan 8.370 nan 0.000 0.474 173 A N 0.773 123.720 122.820 0.213 0.000 2.832 173 A HA -0.277 3.411 4.320 -1.053 0.000 0.280 173 A C 1.820 179.522 177.584 0.197 0.000 1.464 173 A CA 1.222 53.370 52.037 0.184 0.000 0.804 173 A CB -2.573 16.579 19.000 0.254 0.000 1.020 173 A HN 0.775 nan 8.150 nan 0.000 0.563 174 S N -0.411 115.401 115.700 0.187 0.000 2.442 174 S HA -0.093 3.745 4.470 -1.053 0.000 0.236 174 S C 1.718 176.393 174.600 0.124 0.000 1.007 174 S CA 1.239 59.549 58.200 0.184 0.000 0.965 174 S CB -0.850 62.452 63.200 0.171 0.000 0.773 174 S HN 1.748 nan 8.310 nan 0.000 0.504 175 L N -0.946 120.325 121.223 0.080 0.000 2.465 175 L HA 0.207 3.915 4.340 -1.053 0.000 0.224 175 L C 1.829 178.751 176.870 0.088 0.000 1.145 175 L CA 0.561 55.454 54.840 0.088 0.000 0.834 175 L CB -0.434 41.663 42.059 0.064 0.000 0.944 175 L HN 0.181 nan 8.230 nan 0.000 0.451 176 V N -0.775 119.089 119.914 -0.083 0.000 2.672 176 V HA -0.064 3.424 4.120 -1.053 0.000 0.242 176 V C 1.828 177.684 176.094 -0.397 0.000 1.059 176 V CA 1.058 63.174 62.300 -0.307 0.000 1.081 176 V CB -0.353 31.065 31.823 -0.675 0.000 0.752 176 V HN 0.358 nan 8.190 nan 0.000 0.472 177 Y N 0.781 121.095 120.300 0.023 0.000 2.497 177 Y HA 0.554 4.467 4.550 -1.062 0.000 0.265 177 Y C 1.331 177.266 175.900 0.057 0.000 1.111 177 Y CA 0.329 58.451 58.100 0.035 0.000 1.288 177 Y CB 0.003 38.482 38.460 0.031 0.000 1.082 177 Y HN 0.318 nan 8.280 nan 0.000 0.536 178 G N -0.440 108.459 108.800 0.165 0.000 2.619 178 G HA2 -0.135 3.193 3.960 -1.053 0.000 0.686 178 G HA3 -0.135 3.193 3.960 -1.053 0.000 0.686 178 G C 0.286 175.269 174.900 0.139 0.000 1.256 178 G CA -0.198 44.979 45.100 0.128 0.000 0.826 178 G HN 0.005 nan 8.290 nan 0.000 0.619 179 S N -0.016 115.752 115.700 0.113 0.000 2.540 179 S HA 0.266 4.105 4.470 -1.053 0.000 0.222 179 S C 0.588 175.239 174.600 0.084 0.000 1.008 179 S CA 0.599 58.864 58.200 0.108 0.000 0.939 179 S CB 0.337 63.601 63.200 0.107 0.000 0.865 179 S HN 0.571 nan 8.310 nan 0.000 0.499 180 E N 1.047 121.290 120.200 0.073 0.000 2.207 180 E HA 0.270 3.988 4.350 -1.053 0.000 0.270 180 E C -2.153 174.476 176.600 0.049 0.000 0.927 180 E CA -2.335 54.096 56.400 0.051 0.000 0.799 180 E CB 1.552 31.275 29.700 0.038 0.000 1.172 180 E HN -0.128 nan 8.360 nan 0.000 0.404 181 P HA -0.221 nan 4.420 nan 0.000 0.215 181 P C 1.409 178.717 177.300 0.015 0.000 1.157 181 P CA 1.407 64.523 63.100 0.026 0.000 0.868 181 P CB 0.187 31.898 31.700 0.018 0.000 0.788 182 S N -0.911 114.797 115.700 0.013 0.000 2.402 182 S HA -0.125 3.714 4.470 -1.053 0.000 0.229 182 S C 1.864 176.472 174.600 0.013 0.000 1.021 182 S CA 0.968 59.173 58.200 0.007 0.000 0.974 182 S CB -1.417 61.786 63.200 0.005 0.000 0.800 182 S HN 0.016 nan 8.310 nan 0.000 0.484 183 L N 1.797 123.035 121.223 0.026 0.000 2.131 183 L HA 0.424 4.132 4.340 -1.053 0.000 0.206 183 L C 2.565 179.457 176.870 0.036 0.000 1.087 183 L CA 1.453 56.313 54.840 0.034 0.000 0.767 183 L CB -1.204 40.885 42.059 0.050 0.000 0.917 183 L HN 0.311 nan 8.230 nan 0.000 0.441 184 A N -1.442 121.407 122.820 0.048 0.000 1.972 184 A HA -0.175 3.514 4.320 -1.053 0.000 0.219 184 A C 2.487 180.067 177.584 -0.007 0.000 1.169 184 A CA 1.769 53.845 52.037 0.065 0.000 0.635 184 A CB -0.893 18.164 19.000 0.096 0.000 0.810 184 A HN 0.522 nan 8.150 nan 0.000 0.446 185 S N -1.089 114.592 115.700 -0.031 0.000 2.362 185 S HA -0.103 3.735 4.470 -1.053 0.000 0.221 185 S C 2.236 176.804 174.600 -0.053 0.000 1.032 185 S CA 0.839 58.996 58.200 -0.071 0.000 0.973 185 S CB -0.370 62.799 63.200 -0.051 0.000 0.849 185 S HN 0.558 nan 8.310 nan 0.000 0.465 186 R N 0.226 120.713 120.500 -0.022 0.000 2.103 186 R HA -0.087 3.621 4.340 -1.053 0.000 0.242 186 R C 1.940 178.233 176.300 -0.012 0.000 1.142 186 R CA 1.287 57.381 56.100 -0.010 0.000 0.960 186 R CB -0.653 29.650 30.300 0.004 0.000 0.858 186 R HN 0.352 nan 8.270 nan 0.000 0.439 187 L N 0.511 121.728 121.223 -0.009 0.000 2.275 187 L HA -0.058 3.650 4.340 -1.053 0.000 0.215 187 L C 0.907 177.766 176.870 -0.018 0.000 1.119 187 L CA 1.327 56.162 54.840 -0.008 0.000 0.790 187 L CB -0.482 41.585 42.059 0.014 0.000 0.919 187 L HN 0.043 nan 8.230 nan 0.000 0.443 188 R N -0.048 120.422 120.500 -0.051 0.000 2.560 188 R HA 0.140 3.848 4.340 -1.053 0.000 0.270 188 R C 0.298 176.572 176.300 -0.043 0.000 1.074 188 R CA -0.529 55.525 56.100 -0.077 0.000 1.140 188 R CB 0.263 30.423 30.300 -0.234 0.000 1.073 188 R HN -0.092 nan 8.270 nan 0.000 0.527 189 N N 2.707 121.399 118.700 -0.014 0.000 2.918 189 N HA 0.069 4.177 4.740 -1.053 0.000 0.247 189 N C -0.197 175.310 175.510 -0.006 0.000 1.117 189 N CA -0.046 53.008 53.050 0.007 0.000 1.005 189 N CB 0.316 38.827 38.487 0.041 0.000 1.297 189 N HN 0.520 nan 8.380 nan 0.000 0.513 190 L N 1.121 122.329 121.223 -0.024 0.000 2.718 190 L HA 0.129 3.838 4.340 -1.053 0.000 0.242 190 L C 1.115 177.982 176.870 -0.006 0.000 1.203 190 L CA 0.017 54.840 54.840 -0.028 0.000 1.011 190 L CB -0.157 41.876 42.059 -0.044 0.000 1.250 190 L HN 0.301 nan 8.230 nan 0.000 0.437 191 S N -1.204 114.501 115.700 0.008 0.000 2.502 191 S HA 0.076 3.914 4.470 -1.053 0.000 0.215 191 S C 0.764 175.377 174.600 0.022 0.000 1.009 191 S CA -0.074 58.135 58.200 0.016 0.000 0.908 191 S CB 0.475 63.688 63.200 0.023 0.000 0.801 191 S HN 0.519 nan 8.310 nan 0.000 0.505 192 S N 1.857 117.572 115.700 0.026 0.000 2.557 192 S HA 0.449 4.287 4.470 -1.053 0.000 0.291 192 S C -3.038 171.583 174.600 0.035 0.000 1.116 192 S CA -1.447 56.772 58.200 0.032 0.000 0.992 192 S CB 1.802 65.026 63.200 0.039 0.000 1.028 192 S HN -0.036 nan 8.310 nan 0.000 0.484 193 P HA 0.163 nan 4.420 nan 0.000 0.277 193 P C 0.034 177.368 177.300 0.058 0.000 1.617 193 P CA -0.011 63.116 63.100 0.045 0.000 0.829 193 P CB -0.466 31.261 31.700 0.046 0.000 1.774 194 L N -1.755 119.504 121.223 0.060 0.000 2.731 194 L HA 0.339 4.047 4.340 -1.053 0.000 0.240 194 L C 1.456 178.380 176.870 0.090 0.000 1.120 194 L CA 0.285 55.166 54.840 0.068 0.000 0.913 194 L CB -0.402 41.692 42.059 0.058 0.000 1.213 194 L HN 0.127 nan 8.230 nan 0.000 0.515 195 G N 1.702 110.564 108.800 0.103 0.000 2.323 195 G HA2 -0.271 3.058 3.960 -1.053 0.000 0.292 195 G HA3 -0.271 3.058 3.960 -1.053 0.000 0.292 195 G C 0.008 175.070 174.900 0.271 0.000 1.040 195 G CA 0.241 45.443 45.100 0.170 0.000 0.942 195 G HN 0.231 nan 8.290 nan 0.000 0.506 196 L N -0.585 120.760 121.223 0.203 0.000 2.387 196 L HA 0.675 4.384 4.340 -1.053 0.000 0.266 196 L C 1.056 178.064 176.870 0.231 0.000 1.059 196 L CA -1.326 53.663 54.840 0.249 0.000 0.801 196 L CB 0.846 42.991 42.059 0.144 0.000 1.223 196 L HN 0.048 nan 8.230 nan 0.000 0.456 197 M N 1.055 120.791 119.600 0.227 0.000 2.342 197 M HA 0.366 4.214 4.480 -1.053 0.000 0.332 197 M C 0.117 176.442 176.300 0.042 0.000 1.166 197 M CA -0.530 54.820 55.300 0.083 0.000 1.086 197 M CB 1.303 33.903 32.600 0.000 0.000 1.541 197 M HN 0.662 nan 8.290 nan 0.000 0.462 198 A N 2.579 125.402 122.820 0.005 0.000 2.445 198 A HA 0.528 4.216 4.320 -1.053 0.000 0.242 198 A C 0.129 177.684 177.584 -0.048 0.000 1.075 198 A CA -0.452 51.581 52.037 -0.007 0.000 0.777 198 A CB 0.124 19.118 19.000 -0.009 0.000 1.013 198 A HN 0.797 nan 8.150 nan 0.000 0.493 199 V N 0.643 120.521 119.914 -0.061 0.000 3.145 199 V HA 0.546 4.034 4.120 -1.053 0.000 0.311 199 V C 0.077 176.062 176.094 -0.181 0.000 1.238 199 V CA -1.211 60.991 62.300 -0.163 0.000 1.066 199 V CB 1.137 32.815 31.823 -0.242 0.000 1.144 199 V HN 0.914 nan 8.190 nan 0.000 0.465 200 N N 0.322 118.826 118.700 -0.326 0.000 2.530 200 N HA 0.277 4.386 4.740 -1.053 0.000 0.273 200 N C 0.183 175.604 175.510 -0.148 0.000 1.173 200 N CA -0.435 52.440 53.050 -0.291 0.000 0.967 200 N CB 0.733 38.979 38.487 -0.403 0.000 1.109 200 N HN 0.667 nan 8.380 nan 0.000 0.453 201 Q N 1.216 121.040 119.800 0.040 0.000 2.217 201 Q HA 0.071 3.779 4.340 -1.053 0.000 0.217 201 Q C 0.166 176.313 176.000 0.246 0.000 0.844 201 Q CA 0.377 56.305 55.803 0.209 0.000 0.957 201 Q CB 0.831 29.669 28.738 0.167 0.000 1.127 201 Q HN 0.609 nan 8.270 nan 0.000 0.503 202 E N 0.397 120.721 120.200 0.208 0.000 2.460 202 E HA 0.313 4.031 4.350 -1.053 0.000 0.200 202 E C -0.440 176.339 176.600 0.298 0.000 1.011 202 E CA 0.127 56.687 56.400 0.266 0.000 0.912 202 E CB 1.020 30.927 29.700 0.345 0.000 0.953 202 E HN 0.212 nan 8.360 nan 0.000 0.494 203 A N -0.502 122.466 122.820 0.246 0.000 2.589 203 A HA 0.631 4.320 4.320 -1.053 0.000 0.296 203 A C -1.913 175.719 177.584 0.080 0.000 1.062 203 A CA -0.773 51.449 52.037 0.308 0.000 0.686 203 A CB 0.667 19.897 19.000 0.383 0.000 1.282 203 A HN 0.106 nan 8.150 nan 0.000 0.404 204 W N 0.160 121.511 121.300 0.084 0.000 2.950 204 W HA 0.587 4.614 4.660 -1.055 0.000 0.340 204 W C -0.777 175.549 176.519 -0.321 0.000 1.139 204 W CA 0.026 57.270 57.345 -0.169 0.000 1.188 204 W CB 1.994 31.410 29.460 -0.074 0.000 1.426 204 W HN 0.681 nan 8.180 nan 0.000 0.531 205 D N 0.795 120.932 120.400 -0.438 0.000 2.485 205 D HA 0.213 4.222 4.640 -1.053 0.000 0.256 205 D C -0.203 176.081 176.300 -0.026 0.000 1.141 205 D CA -0.079 53.675 54.000 -0.410 0.000 0.942 205 D CB -0.590 39.698 40.800 -0.853 0.000 1.003 205 D HN 0.596 nan 8.370 nan 0.000 0.507 206 H N 1.755 120.875 119.070 0.084 0.000 2.756 206 H HA -0.196 3.728 4.556 -1.054 0.000 0.315 206 H C 1.250 176.689 175.328 0.185 0.000 1.210 206 H CA 0.176 56.310 56.048 0.143 0.000 1.150 206 H CB -0.991 28.911 29.762 0.233 0.000 1.463 206 H HN 0.706 nan 8.280 nan 0.000 0.427 207 G N -0.618 108.354 108.800 0.286 0.000 2.212 207 G HA2 -0.340 2.989 3.960 -1.053 0.000 0.266 207 G HA3 -0.340 2.989 3.960 -1.053 0.000 0.266 207 G C 0.382 175.524 174.900 0.404 0.000 0.978 207 G CA 0.522 45.747 45.100 0.209 0.000 0.632 207 G HN 0.418 nan 8.290 nan 0.000 0.537 208 L N 0.620 122.026 121.223 0.305 0.000 2.399 208 L HA 0.737 4.445 4.340 -1.053 0.000 0.265 208 L C 1.117 177.908 176.870 -0.131 0.000 1.089 208 L CA -0.446 54.455 54.840 0.102 0.000 0.802 208 L CB 1.337 43.323 42.059 -0.122 0.000 1.180 208 L HN 0.301 nan 8.230 nan 0.000 0.454 209 A N 1.286 123.907 122.820 -0.331 0.000 2.287 209 A HA 0.540 4.228 4.320 -1.053 0.000 0.273 209 A C -1.090 176.149 177.584 -0.576 0.000 1.091 209 A CA -0.086 51.528 52.037 -0.706 0.000 0.817 209 A CB 0.455 19.171 19.000 -0.473 0.000 1.069 209 A HN 0.633 nan 8.150 nan 0.000 0.492 210 Y N -0.646 119.281 120.300 -0.622 0.000 2.570 210 Y HA 0.445 4.363 4.550 -1.054 0.000 0.345 210 Y C 0.093 175.660 175.900 -0.554 0.000 1.014 210 Y CA -1.105 56.663 58.100 -0.553 0.000 1.063 210 Y CB 1.768 39.938 38.460 -0.484 0.000 1.272 210 Y HN 0.524 nan 8.280 nan 0.000 0.477 211 L N 3.362 124.283 121.223 -0.503 0.000 2.467 211 L HA 0.184 3.893 4.340 -1.053 0.000 0.270 211 L C -2.283 174.434 176.870 -0.255 0.000 1.205 211 L CA -1.749 52.848 54.840 -0.404 0.000 0.828 211 L CB -0.010 41.729 42.059 -0.533 0.000 1.101 211 L HN 0.258 nan 8.230 nan 0.000 0.479 212 P HA 0.033 nan 4.420 nan 0.000 0.271 212 P C -0.855 176.415 177.300 -0.050 0.000 1.244 212 P CA -0.052 62.968 63.100 -0.134 0.000 0.793 212 P CB 0.393 32.064 31.700 -0.049 0.000 0.984 213 F N 0.403 120.399 119.950 0.076 0.000 2.379 213 F HA 0.261 4.157 4.527 -1.050 0.000 0.332 213 F C 1.232 177.035 175.800 0.006 0.000 1.096 213 F CA -0.530 57.488 58.000 0.029 0.000 1.105 213 F CB 0.101 39.094 39.000 -0.011 0.000 1.189 213 F HN 0.179 nan 8.300 nan 0.000 0.515 214 N N 2.123 120.951 118.700 0.214 0.000 2.475 214 N HA -0.077 4.031 4.740 -1.053 0.000 0.267 214 N C 0.878 176.432 175.510 0.073 0.000 1.169 214 N CA 0.224 53.332 53.050 0.098 0.000 0.947 214 N CB 0.453 38.966 38.487 0.043 0.000 1.061 214 N HN 0.723 nan 8.380 nan 0.000 0.466 215 N N 3.441 122.178 118.700 0.061 0.000 2.244 215 N HA -0.170 3.939 4.740 -1.053 0.000 0.183 215 N C 0.201 175.722 175.510 0.018 0.000 1.016 215 N CA 1.186 54.261 53.050 0.042 0.000 0.866 215 N CB 0.118 38.630 38.487 0.041 0.000 0.980 215 N HN 0.530 nan 8.380 nan 0.000 0.430 216 K N 0.801 121.211 120.400 0.016 0.000 2.322 216 K HA 0.098 3.786 4.320 -1.053 0.000 0.283 216 K C -0.844 175.751 176.600 -0.009 0.000 1.042 216 K CA -0.171 56.119 56.287 0.005 0.000 0.958 216 K CB 0.490 32.998 32.500 0.013 0.000 0.984 216 K HN 0.071 nan 8.250 nan 0.000 0.473 217 K N 4.261 124.652 120.400 -0.015 0.000 2.259 217 K HA 0.392 4.080 4.320 -1.053 0.000 0.249 217 K C -2.296 174.290 176.600 -0.024 0.000 0.942 217 K CA -2.003 54.271 56.287 -0.022 0.000 0.816 217 K CB 1.500 33.987 32.500 -0.022 0.000 1.155 217 K HN 0.633 nan 8.250 nan 0.000 0.428 218 P HA 0.022 nan 4.420 nan 0.000 0.271 218 P C -0.863 176.412 177.300 -0.041 0.000 1.220 218 P CA -0.155 62.925 63.100 -0.033 0.000 0.768 218 P CB 1.095 32.765 31.700 -0.050 0.000 0.848 219 S N 3.301 118.987 115.700 -0.024 0.000 2.437 219 S HA 0.426 4.264 4.470 -1.053 0.000 0.305 219 S C -1.705 172.902 174.600 0.011 0.000 1.109 219 S CA -1.713 56.473 58.200 -0.024 0.000 1.099 219 S CB 1.069 64.247 63.200 -0.036 0.000 1.004 219 S HN 0.165 nan 8.310 nan 0.000 0.475 220 P HA 0.043 nan 4.420 nan 0.000 0.223 220 P C 0.986 178.394 177.300 0.180 0.000 1.151 220 P CA 0.667 63.787 63.100 0.032 0.000 0.787 220 P CB 0.029 31.563 31.700 -0.277 0.000 0.788 221 c N -0.579 118.106 118.600 0.142 0.000 2.457 221 c HA -0.057 3.881 4.570 -1.053 0.000 0.278 221 c C 2.441 176.586 174.090 0.093 0.000 1.309 221 c CA 0.753 57.162 56.329 0.133 0.000 1.735 221 c CB -1.406 41.123 42.510 0.031 0.000 1.992 221 c HN 0.351 nan 8.230 nan 0.000 0.493 222 E N -0.108 120.124 120.200 0.054 0.000 2.152 222 E HA -0.156 3.562 4.350 -1.053 0.000 0.192 222 E C 1.761 178.401 176.600 0.066 0.000 0.983 222 E CA 0.869 57.279 56.400 0.017 0.000 0.818 222 E CB -0.230 29.460 29.700 -0.016 0.000 0.758 222 E HN 0.736 nan 8.360 nan 0.000 0.467 223 F N 2.020 121.967 119.950 -0.005 0.000 2.171 223 F HA -0.138 3.757 4.527 -1.053 0.000 0.300 223 F C 2.029 177.832 175.800 0.005 0.000 1.090 223 F CA 1.204 59.216 58.000 0.020 0.000 1.293 223 F CB -0.079 38.974 39.000 0.088 0.000 1.013 223 F HN -0.026 nan 8.300 nan 0.000 0.486 224 I N -1.164 119.433 120.570 0.045 0.000 3.241 224 I HA -0.038 3.500 4.170 -1.053 0.000 0.280 224 I C 0.261 176.321 176.117 -0.094 0.000 1.320 224 I CA 1.062 62.321 61.300 -0.068 0.000 1.413 224 I CB -0.659 37.357 38.000 0.026 0.000 1.060 224 I HN 0.259 nan 8.210 nan 0.000 0.500 225 N N 0.443 119.056 118.700 -0.145 0.000 3.029 225 N HA 0.010 4.118 4.740 -1.053 0.000 0.198 225 N C 0.470 175.832 175.510 -0.247 0.000 1.444 225 N CA 0.477 53.376 53.050 -0.251 0.000 0.784 225 N CB 0.372 38.591 38.487 -0.448 0.000 1.539 225 N HN 0.161 nan 8.380 nan 0.000 0.582 226 T N -1.166 113.249 114.554 -0.232 0.000 2.848 226 T HA -0.134 3.584 4.350 -1.053 0.000 0.269 226 T C 1.495 176.093 174.700 -0.170 0.000 1.081 226 T CA 1.823 63.817 62.100 -0.178 0.000 1.125 226 T CB 0.010 68.774 68.868 -0.173 0.000 0.848 226 T HN 0.315 nan 8.240 nan 0.000 0.503 227 T N 1.203 115.627 114.554 -0.217 0.000 2.976 227 T HA 0.297 4.015 4.350 -1.053 0.000 0.257 227 T C 2.414 176.979 174.700 -0.225 0.000 1.051 227 T CA 0.682 62.658 62.100 -0.208 0.000 1.141 227 T CB -0.275 68.457 68.868 -0.226 0.000 0.881 227 T HN 0.498 nan 8.240 nan 0.000 0.461 228 A N 1.106 123.740 122.820 -0.310 0.000 2.072 228 A HA 0.161 3.849 4.320 -1.053 0.000 0.216 228 A C 1.045 178.523 177.584 -0.177 0.000 1.156 228 A CA 0.159 52.026 52.037 -0.283 0.000 0.701 228 A CB -0.327 18.390 19.000 -0.471 0.000 0.816 228 A HN 0.475 nan 8.150 nan 0.000 0.458 229 R N -1.022 119.377 120.500 -0.168 0.000 3.109 229 R HA -0.140 3.568 4.340 -1.053 0.000 0.241 229 R C -1.096 175.099 176.300 -0.174 0.000 0.882 229 R CA 0.542 56.559 56.100 -0.140 0.000 0.604 229 R CB -1.880 28.346 30.300 -0.122 0.000 1.040 229 R HN 0.231 nan 8.270 nan 0.000 0.480 230 V N 2.180 121.997 119.914 -0.161 0.000 2.347 230 V HA 0.294 3.782 4.120 -1.053 0.000 0.280 230 V C -1.074 174.830 176.094 -0.316 0.000 1.021 230 V CA -1.661 60.477 62.300 -0.270 0.000 0.847 230 V CB 1.560 33.325 31.823 -0.095 0.000 0.990 230 V HN 0.203 nan 8.190 nan 0.000 0.444 231 P HA 0.161 nan 4.420 nan 0.000 0.275 231 P C -0.164 176.966 177.300 -0.283 0.000 1.270 231 P CA -0.343 62.546 63.100 -0.351 0.000 0.791 231 P CB 0.823 32.296 31.700 -0.379 0.000 1.089 232 c N -0.979 117.528 118.600 -0.155 0.000 2.403 232 c HA 0.445 4.384 4.570 -1.053 0.000 0.361 232 c C 0.831 174.848 174.090 -0.123 0.000 1.274 232 c CA -0.218 56.003 56.329 -0.180 0.000 2.433 232 c CB -0.906 41.570 42.510 -0.057 0.000 2.323 232 c HN 0.373 nan 8.230 nan 0.000 0.614 233 F N 0.789 120.754 119.950 0.025 0.000 2.370 233 F HA 0.519 4.417 4.527 -1.048 0.000 0.324 233 F C 0.230 175.975 175.800 -0.091 0.000 1.116 233 F CA -0.708 57.266 58.000 -0.042 0.000 1.123 233 F CB 0.396 39.306 39.000 -0.150 0.000 1.238 233 F HN 0.213 nan 8.300 nan 0.000 0.536 234 L N 2.328 123.629 121.223 0.130 0.000 2.276 234 L HA 0.759 4.467 4.340 -1.053 0.000 0.286 234 L C -0.458 176.382 176.870 -0.051 0.000 1.024 234 L CA -0.013 54.840 54.840 0.022 0.000 0.826 234 L CB 0.146 42.225 42.059 0.034 0.000 1.211 234 L HN 0.693 nan 8.230 nan 0.000 0.422 235 A N 3.050 125.807 122.820 -0.105 0.000 2.483 235 A HA 0.687 4.375 4.320 -1.053 0.000 0.286 235 A C 0.898 178.434 177.584 -0.079 0.000 1.207 235 A CA -0.112 51.832 52.037 -0.156 0.000 0.764 235 A CB 0.672 19.432 19.000 -0.399 0.000 1.341 235 A HN 0.752 nan 8.150 nan 0.000 0.428 236 G N -1.002 107.771 108.800 -0.044 0.000 2.509 236 G HA2 0.171 3.499 3.960 -1.053 0.000 0.218 236 G HA3 0.171 3.499 3.960 -1.053 0.000 0.218 236 G C 0.128 175.051 174.900 0.037 0.000 1.124 236 G CA 1.447 46.559 45.100 0.019 0.000 0.776 236 G HN 0.777 nan 8.290 nan 0.000 0.547 237 D N -2.306 118.094 120.400 0.001 0.000 2.481 237 D HA 0.376 4.384 4.640 -1.053 0.000 0.244 237 D C 0.558 176.816 176.300 -0.070 0.000 1.057 237 D CA -0.981 53.005 54.000 -0.023 0.000 0.848 237 D CB 1.344 42.144 40.800 -0.001 0.000 1.388 237 D HN -0.121 nan 8.370 nan 0.000 0.475 238 F N 2.935 122.751 119.950 -0.224 0.000 2.269 238 F HA 0.021 3.916 4.527 -1.054 0.000 0.301 238 F C 1.336 177.007 175.800 -0.214 0.000 1.082 238 F CA 1.130 59.024 58.000 -0.177 0.000 1.360 238 F CB 0.258 39.211 39.000 -0.078 0.000 1.041 238 F HN 0.327 nan 8.300 nan 0.000 0.512 239 R N 0.307 120.638 120.500 -0.282 0.000 2.310 239 R HA 0.292 4.000 4.340 -1.053 0.000 0.202 239 R C 2.203 178.359 176.300 -0.239 0.000 0.933 239 R CA 0.608 56.521 56.100 -0.312 0.000 1.054 239 R CB -0.842 29.227 30.300 -0.386 0.000 0.985 239 R HN 0.244 nan 8.270 nan 0.000 0.489 240 A N 0.789 123.457 122.820 -0.253 0.000 1.985 240 A HA -0.261 3.427 4.320 -1.053 0.000 0.223 240 A C 1.675 179.150 177.584 -0.181 0.000 1.189 240 A CA 2.303 54.155 52.037 -0.309 0.000 0.658 240 A CB -0.505 18.072 19.000 -0.705 0.000 0.820 240 A HN 0.322 nan 8.150 nan 0.000 0.464 241 S N -0.699 114.860 115.700 -0.236 0.000 2.597 241 S HA 0.078 3.916 4.470 -1.053 0.000 0.224 241 S C 1.371 175.635 174.600 -0.561 0.000 0.955 241 S CA 0.247 58.307 58.200 -0.234 0.000 0.933 241 S CB 0.256 63.370 63.200 -0.143 0.000 0.788 241 S HN 0.633 nan 8.310 nan 0.000 0.488 242 E N 2.113 121.934 120.200 -0.631 0.000 2.187 242 E HA -0.221 3.497 4.350 -1.053 0.000 0.199 242 E C 0.327 176.646 176.600 -0.467 0.000 1.004 242 E CA 1.394 57.283 56.400 -0.851 0.000 0.813 242 E CB 0.137 29.617 29.700 -0.366 0.000 0.736 242 E HN 0.784 nan 8.360 nan 0.000 0.468 243 Q N -2.003 117.673 119.800 -0.206 0.000 2.479 243 Q HA 0.284 3.993 4.340 -1.053 0.000 0.276 243 Q C 0.515 176.478 176.000 -0.062 0.000 0.989 243 Q CA -0.335 55.447 55.803 -0.034 0.000 0.864 243 Q CB 0.289 29.091 28.738 0.107 0.000 1.444 243 Q HN -0.036 nan 8.270 nan 0.000 0.388 244 I N 0.708 121.234 120.570 -0.073 0.000 2.185 244 I HA -0.290 3.248 4.170 -1.053 0.000 0.246 244 I C 0.892 176.977 176.117 -0.054 0.000 1.088 244 I CA 1.487 62.741 61.300 -0.077 0.000 1.347 244 I CB 0.117 38.037 38.000 -0.133 0.000 1.041 244 I HN 0.821 nan 8.210 nan 0.000 0.415 245 L N -0.338 120.855 121.223 -0.049 0.000 2.291 245 L HA -0.142 3.566 4.340 -1.053 0.000 0.214 245 L C 1.932 178.788 176.870 -0.023 0.000 1.120 245 L CA 1.303 56.123 54.840 -0.034 0.000 0.799 245 L CB -0.759 41.285 42.059 -0.025 0.000 0.925 245 L HN 0.308 nan 8.230 nan 0.000 0.446 246 L N -0.759 120.449 121.223 -0.026 0.000 2.127 246 L HA 0.086 3.794 4.340 -1.053 0.000 0.203 246 L C 2.413 179.320 176.870 0.061 0.000 1.080 246 L CA 1.758 56.589 54.840 -0.014 0.000 0.768 246 L CB -0.791 41.248 42.059 -0.034 0.000 0.924 246 L HN 0.114 nan 8.230 nan 0.000 0.444 247 A N -1.353 121.491 122.820 0.040 0.000 1.969 247 A HA -0.122 3.566 4.320 -1.053 0.000 0.218 247 A C 2.187 179.753 177.584 -0.029 0.000 1.169 247 A CA 1.948 54.011 52.037 0.043 0.000 0.635 247 A CB -1.082 17.993 19.000 0.125 0.000 0.810 247 A HN 0.498 nan 8.150 nan 0.000 0.445 248 T N 0.396 114.934 114.554 -0.027 0.000 2.643 248 T HA -0.057 3.661 4.350 -1.053 0.000 0.264 248 T C 2.286 176.974 174.700 -0.021 0.000 1.045 248 T CA 1.754 63.826 62.100 -0.047 0.000 1.155 248 T CB -0.525 68.322 68.868 -0.035 0.000 0.863 248 T HN 0.595 nan 8.240 nan 0.000 0.420 249 A N 1.261 124.093 122.820 0.019 0.000 1.940 249 A HA -0.224 3.464 4.320 -1.053 0.000 0.219 249 A C 2.133 179.710 177.584 -0.011 0.000 1.176 249 A CA 1.592 53.665 52.037 0.060 0.000 0.631 249 A CB -0.904 18.135 19.000 0.065 0.000 0.814 249 A HN 0.569 nan 8.150 nan 0.000 0.446 250 H N -0.461 118.562 119.070 -0.078 0.000 2.387 250 H HA -0.084 3.842 4.556 -1.050 0.000 0.299 250 H C 2.189 177.409 175.328 -0.179 0.000 1.090 250 H CA 1.964 57.935 56.048 -0.129 0.000 1.332 250 H CB -0.227 29.440 29.762 -0.158 0.000 1.386 250 H HN 0.490 nan 8.280 nan 0.000 0.516 251 T N 1.266 115.766 114.554 -0.090 0.000 2.821 251 T HA -0.094 3.624 4.350 -1.053 0.000 0.267 251 T C 2.144 176.757 174.700 -0.144 0.000 1.046 251 T CA 0.360 62.354 62.100 -0.177 0.000 1.139 251 T CB -0.158 68.580 68.868 -0.217 0.000 0.871 251 T HN 0.039 nan 8.240 nan 0.000 0.454 252 L N 0.813 121.969 121.223 -0.111 0.000 2.083 252 L HA 0.110 3.819 4.340 -1.053 0.000 0.209 252 L C 2.149 178.917 176.870 -0.171 0.000 1.083 252 L CA 1.428 56.184 54.840 -0.140 0.000 0.752 252 L CB -0.950 41.049 42.059 -0.101 0.000 0.899 252 L HN 0.309 nan 8.230 nan 0.000 0.433 253 L N -1.909 119.236 121.223 -0.130 0.000 2.341 253 L HA -0.120 3.589 4.340 -1.053 0.000 0.214 253 L C 2.289 179.073 176.870 -0.144 0.000 1.115 253 L CA 0.186 54.940 54.840 -0.143 0.000 0.820 253 L CB -0.305 41.695 42.059 -0.100 0.000 0.944 253 L HN 0.239 nan 8.230 nan 0.000 0.452 254 L N -0.071 121.069 121.223 -0.137 0.000 2.072 254 L HA -0.103 3.606 4.340 -1.053 0.000 0.205 254 L C 2.735 179.558 176.870 -0.078 0.000 1.079 254 L CA 1.507 56.272 54.840 -0.125 0.000 0.752 254 L CB -0.324 41.647 42.059 -0.148 0.000 0.906 254 L HN 0.044 nan 8.230 nan 0.000 0.436 255 R N -0.482 119.946 120.500 -0.121 0.000 2.091 255 R HA -0.215 3.493 4.340 -1.053 0.000 0.238 255 R C 2.203 178.433 176.300 -0.118 0.000 1.136 255 R CA 1.483 57.510 56.100 -0.121 0.000 0.959 255 R CB -0.375 29.829 30.300 -0.161 0.000 0.856 255 R HN 0.363 nan 8.270 nan 0.000 0.437 256 E N 0.141 120.246 120.200 -0.158 0.000 2.110 256 E HA -0.213 3.506 4.350 -1.053 0.000 0.193 256 E C 1.663 178.189 176.600 -0.123 0.000 0.988 256 E CA 1.619 57.899 56.400 -0.199 0.000 0.804 256 E CB -0.156 29.351 29.700 -0.321 0.000 0.745 256 E HN 0.424 nan 8.360 nan 0.000 0.458 257 H N 0.074 119.071 119.070 -0.122 0.000 2.256 257 H HA -0.053 3.873 4.556 -1.050 0.000 0.299 257 H C 1.717 177.029 175.328 -0.027 0.000 1.071 257 H CA 2.408 58.432 56.048 -0.040 0.000 1.280 257 H CB -0.344 29.434 29.762 0.028 0.000 1.370 257 H HN 0.121 nan 8.280 nan 0.000 0.490 258 N N 0.362 119.091 118.700 0.048 0.000 2.137 258 N HA -0.177 3.931 4.740 -1.053 0.000 0.190 258 N C 2.020 177.482 175.510 -0.080 0.000 1.017 258 N CA 1.179 54.232 53.050 0.005 0.000 0.859 258 N CB -0.394 38.135 38.487 0.069 0.000 1.002 258 N HN 0.402 nan 8.380 nan 0.000 0.428 259 R N 0.179 120.621 120.500 -0.097 0.000 2.096 259 R HA -0.049 3.660 4.340 -1.053 0.000 0.235 259 R C 1.393 177.610 176.300 -0.138 0.000 1.127 259 R CA 0.872 56.907 56.100 -0.109 0.000 0.968 259 R CB -0.151 30.073 30.300 -0.127 0.000 0.861 259 R HN 0.097 nan 8.270 nan 0.000 0.440 260 L N 0.540 121.651 121.223 -0.188 0.000 2.109 260 L HA 0.021 3.730 4.340 -1.053 0.000 0.207 260 L C 2.466 179.221 176.870 -0.192 0.000 1.086 260 L CA 1.777 56.492 54.840 -0.209 0.000 0.760 260 L CB -1.191 40.720 42.059 -0.245 0.000 0.910 260 L HN 0.211 nan 8.230 nan 0.000 0.437 261 A N 0.374 123.054 122.820 -0.232 0.000 1.930 261 A HA -0.196 3.492 4.320 -1.053 0.000 0.217 261 A C 2.318 179.864 177.584 -0.063 0.000 1.175 261 A CA 1.538 53.481 52.037 -0.157 0.000 0.627 261 A CB -0.418 18.469 19.000 -0.189 0.000 0.815 261 A HN 0.555 nan 8.150 nan 0.000 0.443 262 R N -1.314 119.148 120.500 -0.064 0.000 2.240 262 R HA 0.110 3.818 4.340 -1.053 0.000 0.203 262 R C 1.057 177.328 176.300 -0.048 0.000 1.011 262 R CA 0.963 57.041 56.100 -0.037 0.000 1.007 262 R CB -0.129 30.156 30.300 -0.025 0.000 0.911 262 R HN 0.257 nan 8.270 nan 0.000 0.468 263 E N 1.259 121.416 120.200 -0.071 0.000 2.299 263 E HA 0.027 3.745 4.350 -1.053 0.000 0.193 263 E C 1.974 178.528 176.600 -0.077 0.000 0.998 263 E CA 0.560 56.914 56.400 -0.077 0.000 0.851 263 E CB 0.134 29.773 29.700 -0.100 0.000 0.795 263 E HN 0.405 nan 8.360 nan 0.000 0.492 264 L N 0.391 121.574 121.223 -0.066 0.000 2.127 264 L HA -0.068 3.641 4.340 -1.053 0.000 0.203 264 L C 2.433 179.248 176.870 -0.090 0.000 1.080 264 L CA 0.714 55.524 54.840 -0.049 0.000 0.768 264 L CB -0.255 41.853 42.059 0.082 0.000 0.924 264 L HN 0.000 nan 8.230 nan 0.000 0.444 265 K N 1.047 121.426 120.400 -0.035 0.000 2.103 265 K HA -0.200 3.488 4.320 -1.053 0.000 0.207 265 K C 1.969 178.520 176.600 -0.082 0.000 1.048 265 K CA 1.613 57.875 56.287 -0.041 0.000 0.930 265 K CB -0.047 32.454 32.500 0.001 0.000 0.716 265 K HN 0.086 nan 8.250 nan 0.000 0.444 266 K N -0.106 120.253 120.400 -0.068 0.000 2.057 266 K HA -0.080 3.608 4.320 -1.053 0.000 0.207 266 K C 2.091 178.641 176.600 -0.082 0.000 1.049 266 K CA 1.663 57.914 56.287 -0.060 0.000 0.931 266 K CB -0.176 32.296 32.500 -0.047 0.000 0.714 266 K HN 0.138 nan 8.250 nan 0.000 0.440 267 L N 0.645 121.797 121.223 -0.118 0.000 2.072 267 L HA -0.105 3.603 4.340 -1.053 0.000 0.205 267 L C 0.462 177.203 176.870 -0.216 0.000 1.079 267 L CA 0.758 55.518 54.840 -0.133 0.000 0.752 267 L CB -0.076 41.909 42.059 -0.123 0.000 0.906 267 L HN 0.148 nan 8.230 nan 0.000 0.436 268 N N -0.435 118.005 118.700 -0.434 0.000 2.904 268 N HA 0.186 4.294 4.740 -1.053 0.000 0.257 268 N C -2.053 173.052 175.510 -0.675 0.000 1.363 268 N CA -1.125 51.434 53.050 -0.818 0.000 0.856 268 N CB 1.160 38.537 38.487 -1.849 0.000 1.166 268 N HN -0.074 nan 8.380 nan 0.000 0.499 269 P HA -0.166 nan 4.420 nan 0.000 0.220 269 P C 1.186 178.512 177.300 0.044 0.000 1.144 269 P CA 1.324 64.413 63.100 -0.018 0.000 0.800 269 P CB 0.118 31.861 31.700 0.072 0.000 0.772 270 H N -3.893 115.165 119.070 -0.021 0.000 2.470 270 H HA -0.014 3.911 4.556 -1.051 0.000 0.289 270 H C 0.512 175.977 175.328 0.229 0.000 1.033 270 H CA 0.003 56.097 56.048 0.077 0.000 1.331 270 H CB -1.273 28.529 29.762 0.067 0.000 1.414 270 H HN 0.100 nan 8.280 nan 0.000 0.545 271 W N 4.268 125.440 121.300 -0.214 0.000 2.231 271 W HA 0.010 4.029 4.660 -1.067 0.000 0.341 271 W C 0.725 177.235 176.519 -0.015 0.000 1.298 271 W CA -0.510 56.780 57.345 -0.092 0.000 1.266 271 W CB -0.176 29.207 29.460 -0.127 0.000 1.172 271 W HN 0.365 nan 8.180 nan 0.000 0.568 272 N N 0.236 119.057 118.700 0.201 0.000 2.418 272 N HA 0.437 4.545 4.740 -1.053 0.000 0.283 272 N C 1.209 176.773 175.510 0.090 0.000 1.267 272 N CA 0.006 53.127 53.050 0.118 0.000 0.975 272 N CB -0.290 38.244 38.487 0.078 0.000 1.167 272 N HN 0.361 nan 8.380 nan 0.000 0.581 273 G N -0.806 108.033 108.800 0.066 0.000 2.440 273 G HA2 -0.326 3.002 3.960 -1.053 0.000 0.218 273 G HA3 -0.326 3.002 3.960 -1.053 0.000 0.218 273 G C 1.263 176.194 174.900 0.053 0.000 1.154 273 G CA 1.062 46.198 45.100 0.059 0.000 0.767 273 G HN 0.708 nan 8.290 nan 0.000 0.552 274 E N 0.541 120.753 120.200 0.022 0.000 2.077 274 E HA -0.100 3.618 4.350 -1.053 0.000 0.193 274 E C 2.324 178.909 176.600 -0.025 0.000 0.989 274 E CA 1.375 57.785 56.400 0.015 0.000 0.800 274 E CB -0.192 29.508 29.700 0.000 0.000 0.746 274 E HN 0.346 nan 8.360 nan 0.000 0.452 275 K N -0.237 120.115 120.400 -0.081 0.000 2.057 275 K HA -0.080 3.608 4.320 -1.053 0.000 0.207 275 K C 1.928 178.386 176.600 -0.238 0.000 1.049 275 K CA 1.070 57.206 56.287 -0.251 0.000 0.931 275 K CB -0.356 31.914 32.500 -0.383 0.000 0.714 275 K HN 0.134 nan 8.250 nan 0.000 0.440 276 L N 0.176 121.382 121.223 -0.027 0.000 1.994 276 L HA -0.186 3.522 4.340 -1.053 0.000 0.208 276 L C 2.281 179.153 176.870 0.004 0.000 1.071 276 L CA 1.840 56.713 54.840 0.055 0.000 0.745 276 L CB -1.345 40.784 42.059 0.117 0.000 0.892 276 L HN 0.294 nan 8.230 nan 0.000 0.431 277 Y N 1.157 121.419 120.300 -0.064 0.000 2.053 277 Y HA -0.318 3.606 4.550 -1.044 0.000 0.277 277 Y C 2.842 178.641 175.900 -0.169 0.000 1.159 277 Y CA 1.870 59.963 58.100 -0.011 0.000 1.125 277 Y CB -0.310 38.126 38.460 -0.041 0.000 0.969 277 Y HN 0.227 nan 8.280 nan 0.000 0.492 278 Q N 0.322 119.868 119.800 -0.424 0.000 2.061 278 Q HA -0.205 3.503 4.340 -1.053 0.000 0.204 278 Q C 2.123 177.666 176.000 -0.763 0.000 0.984 278 Q CA 1.872 57.157 55.803 -0.863 0.000 0.846 278 Q CB -0.519 27.390 28.738 -1.380 0.000 0.902 278 Q HN 0.607 nan 8.270 nan 0.000 0.421 279 E N 0.298 120.187 120.200 -0.518 0.000 2.153 279 E HA -0.098 3.620 4.350 -1.053 0.000 0.194 279 E C 1.829 178.386 176.600 -0.072 0.000 0.988 279 E CA 1.036 57.335 56.400 -0.168 0.000 0.811 279 E CB -0.064 29.605 29.700 -0.052 0.000 0.746 279 E HN 0.328 nan 8.360 nan 0.000 0.466 280 A N 1.333 124.053 122.820 -0.167 0.000 1.872 280 A HA -0.138 3.550 4.320 -1.053 0.000 0.214 280 A C 2.200 179.743 177.584 -0.069 0.000 1.187 280 A CA 1.386 53.319 52.037 -0.173 0.000 0.614 280 A CB -0.441 18.306 19.000 -0.422 0.000 0.826 280 A HN 0.146 nan 8.150 nan 0.000 0.442 281 R N 0.075 120.450 120.500 -0.209 0.000 2.127 281 R HA -0.170 3.538 4.340 -1.053 0.000 0.238 281 R C 2.112 178.315 176.300 -0.161 0.000 1.134 281 R CA 1.992 57.850 56.100 -0.403 0.000 0.975 281 R CB -0.243 29.324 30.300 -1.222 0.000 0.865 281 R HN 0.508 nan 8.270 nan 0.000 0.447 282 K N 0.302 120.643 120.400 -0.098 0.000 2.155 282 K HA -0.040 3.648 4.320 -1.053 0.000 0.203 282 K C 1.934 178.753 176.600 0.365 0.000 1.052 282 K CA 1.153 57.510 56.287 0.116 0.000 0.948 282 K CB 0.046 32.634 32.500 0.147 0.000 0.728 282 K HN 0.237 nan 8.250 nan 0.000 0.448 283 I N 0.743 121.494 120.570 0.302 0.000 2.286 283 I HA -0.223 3.316 4.170 -1.053 0.000 0.245 283 I C 2.155 178.393 176.117 0.202 0.000 1.104 283 I CA 0.384 61.884 61.300 0.333 0.000 1.397 283 I CB -0.138 37.939 38.000 0.128 0.000 1.072 283 I HN 0.168 nan 8.210 nan 0.000 0.417 284 L N 1.298 122.595 121.223 0.123 0.000 2.046 284 L HA -0.078 3.631 4.340 -1.053 0.000 0.208 284 L C 2.404 179.375 176.870 0.168 0.000 1.077 284 L CA 2.096 56.989 54.840 0.088 0.000 0.747 284 L CB -1.177 40.996 42.059 0.189 0.000 0.896 284 L HN 0.189 nan 8.230 nan 0.000 0.432 285 G N -1.377 107.548 108.800 0.209 0.000 2.432 285 G HA2 -0.240 3.088 3.960 -1.053 0.000 0.219 285 G HA3 -0.240 3.088 3.960 -1.053 0.000 0.219 285 G C 1.561 176.564 174.900 0.172 0.000 1.135 285 G CA 0.738 45.962 45.100 0.207 0.000 0.767 285 G HN 0.598 nan 8.290 nan 0.000 0.550 286 A N 0.133 123.069 122.820 0.193 0.000 2.014 286 A HA 0.194 3.882 4.320 -1.053 0.000 0.218 286 A C 2.063 179.591 177.584 -0.093 0.000 1.163 286 A CA 1.236 53.334 52.037 0.102 0.000 0.652 286 A CB -0.409 18.719 19.000 0.215 0.000 0.808 286 A HN 0.383 nan 8.150 nan 0.000 0.449 287 F N 1.186 120.896 119.950 -0.401 0.000 2.113 287 F HA -0.152 3.709 4.527 -1.111 0.000 0.297 287 F C 1.886 177.566 175.800 -0.200 0.000 1.103 287 F CA 1.430 58.957 58.000 -0.787 0.000 1.248 287 F CB -0.081 38.285 39.000 -1.058 0.000 0.999 287 F HN 0.145 nan 8.300 nan 0.000 0.475 288 I N 0.686 121.254 120.570 -0.004 0.000 2.226 288 I HA -0.290 3.248 4.170 -1.053 0.000 0.245 288 I C 2.229 178.480 176.117 0.223 0.000 1.100 288 I CA 1.408 62.839 61.300 0.219 0.000 1.374 288 I CB -1.830 36.336 38.000 0.277 0.000 1.057 288 I HN 0.361 nan 8.210 nan 0.000 0.413 289 Q N 0.324 120.194 119.800 0.118 0.000 2.167 289 Q HA -0.088 3.620 4.340 -1.053 0.000 0.202 289 Q C 2.418 178.521 176.000 0.171 0.000 0.970 289 Q CA 1.199 57.104 55.803 0.171 0.000 0.855 289 Q CB 0.042 28.645 28.738 -0.225 0.000 0.911 289 Q HN 0.501 nan 8.270 nan 0.000 0.438 290 I N 0.517 121.016 120.570 -0.118 0.000 2.193 290 I HA -0.226 3.312 4.170 -1.053 0.000 0.240 290 I C 2.116 178.228 176.117 -0.009 0.000 1.084 290 I CA 0.623 61.854 61.300 -0.115 0.000 1.365 290 I CB -0.237 37.572 38.000 -0.319 0.000 1.064 290 I HN 0.179 nan 8.210 nan 0.000 0.410 291 I N 0.845 121.282 120.570 -0.220 0.000 2.151 291 I HA -0.284 3.254 4.170 -1.053 0.000 0.243 291 I C 2.622 178.771 176.117 0.052 0.000 1.080 291 I CA 1.931 63.090 61.300 -0.235 0.000 1.339 291 I CB -1.859 35.699 38.000 -0.736 0.000 1.039 291 I HN 0.267 nan 8.210 nan 0.000 0.409 292 T N 0.952 115.707 114.554 0.334 0.000 2.674 292 T HA -0.141 3.577 4.350 -1.053 0.000 0.265 292 T C 1.802 176.712 174.700 0.350 0.000 1.039 292 T CA 1.479 63.889 62.100 0.517 0.000 1.150 292 T CB -0.368 68.871 68.868 0.619 0.000 0.864 292 T HN 0.084 nan 8.240 nan 0.000 0.427 293 F N 0.766 120.881 119.950 0.274 0.000 2.293 293 F HA 0.235 4.129 4.527 -1.056 0.000 0.297 293 F C 2.534 178.454 175.800 0.200 0.000 1.089 293 F CA 0.446 58.606 58.000 0.267 0.000 1.377 293 F CB -0.147 39.136 39.000 0.471 0.000 1.051 293 F HN -0.050 nan 8.300 nan 0.000 0.511 294 R N 0.107 120.806 120.500 0.333 0.000 2.075 294 R HA -0.058 3.650 4.340 -1.053 0.000 0.220 294 R C 1.312 177.684 176.300 0.120 0.000 1.118 294 R CA 1.640 57.872 56.100 0.220 0.000 0.986 294 R CB -0.093 30.324 30.300 0.195 0.000 0.884 294 R HN 0.116 nan 8.270 nan 0.000 0.439 295 D N -0.945 119.511 120.400 0.093 0.000 2.323 295 D HA -0.079 3.929 4.640 -1.053 0.000 0.218 295 D C 1.395 177.612 176.300 -0.138 0.000 0.973 295 D CA 0.630 54.658 54.000 0.046 0.000 0.890 295 D CB -0.196 40.724 40.800 0.200 0.000 1.011 295 D HN 0.179 nan 8.370 nan 0.000 0.499 296 Y N 1.931 122.033 120.300 -0.330 0.000 2.163 296 Y HA 0.045 3.962 4.550 -1.054 0.000 0.288 296 Y C 2.250 178.049 175.900 -0.167 0.000 1.112 296 Y CA 1.029 58.894 58.100 -0.391 0.000 1.104 296 Y CB -0.511 37.815 38.460 -0.222 0.000 1.016 296 Y HN -0.228 nan 8.280 nan 0.000 0.497 297 L N 0.368 121.432 121.223 -0.266 0.000 2.013 297 L HA -0.208 3.501 4.340 -1.053 0.000 0.212 297 L C -0.438 176.262 176.870 -0.283 0.000 1.073 297 L CA 1.744 56.334 54.840 -0.417 0.000 0.753 297 L CB -2.001 39.743 42.059 -0.527 0.000 0.890 297 L HN 0.215 nan 8.230 nan 0.000 0.432 298 P HA -0.205 nan 4.420 nan 0.000 0.217 298 P C 1.485 178.705 177.300 -0.132 0.000 1.148 298 P CA 1.576 64.610 63.100 -0.110 0.000 0.834 298 P CB -0.120 31.547 31.700 -0.056 0.000 0.783 299 I N -6.289 114.171 120.570 -0.182 0.000 3.883 299 I HA 0.089 3.627 4.170 -1.053 0.000 0.326 299 I C 1.249 177.257 176.117 -0.181 0.000 1.283 299 I CA 0.163 61.344 61.300 -0.197 0.000 1.161 299 I CB -0.078 37.770 38.000 -0.253 0.000 1.012 299 I HN -0.235 nan 8.210 nan 0.000 0.421 300 V N 0.533 120.336 119.914 -0.185 0.000 2.521 300 V HA 0.021 3.510 4.120 -1.053 0.000 0.239 300 V C 2.168 178.164 176.094 -0.162 0.000 1.053 300 V CA 0.833 63.052 62.300 -0.136 0.000 1.073 300 V CB 0.012 31.665 31.823 -0.283 0.000 0.746 300 V HN 0.268 nan 8.190 nan 0.000 0.476 301 L N 0.459 121.589 121.223 -0.154 0.000 2.156 301 L HA 0.325 4.033 4.340 -1.053 0.000 0.208 301 L C 1.399 178.243 176.870 -0.043 0.000 1.095 301 L CA 1.749 56.540 54.840 -0.083 0.000 0.770 301 L CB -1.754 40.285 42.059 -0.033 0.000 0.914 301 L HN 0.552 nan 8.230 nan 0.000 0.439 305 E N 1.053 121.289 120.200 0.060 0.000 2.479 305 E HA 0.250 3.968 4.350 -1.053 0.000 0.193 305 E C 1.326 178.034 176.600 0.181 0.000 1.049 305 E CA 0.279 56.761 56.400 0.137 0.000 0.870 305 E CB 0.065 29.915 29.700 0.250 0.000 0.944 305 E HN 0.620 nan 8.360 nan 0.000 0.492 306 M N 1.179 120.839 119.600 0.100 0.000 2.065 306 M HA -0.261 3.588 4.480 -1.053 0.000 0.259 306 M C 1.906 178.261 176.300 0.092 0.000 1.071 306 M CA 1.981 57.339 55.300 0.097 0.000 1.109 306 M CB -0.032 32.590 32.600 0.036 0.000 1.313 306 M HN -0.094 nan 8.290 nan 0.000 0.408 307 Q N -0.132 119.691 119.800 0.038 0.000 2.170 307 Q HA -0.223 3.485 4.340 -1.053 0.000 0.203 307 Q C 2.054 178.022 176.000 -0.054 0.000 0.976 307 Q CA 1.926 57.736 55.803 0.011 0.000 0.858 307 Q CB -0.598 28.137 28.738 -0.006 0.000 0.907 307 Q HN 0.631 nan 8.270 nan 0.000 0.433 308 K N 0.019 120.336 120.400 -0.138 0.000 2.147 308 K HA -0.168 3.520 4.320 -1.053 0.000 0.205 308 K C 0.997 177.261 176.600 -0.560 0.000 1.049 308 K CA 1.390 57.444 56.287 -0.389 0.000 0.936 308 K CB -0.010 32.175 32.500 -0.525 0.000 0.722 308 K HN 0.318 nan 8.250 nan 0.000 0.446 309 W N 0.201 121.514 121.300 0.023 0.000 2.808 309 W HA 0.325 4.352 4.660 -1.055 0.000 0.266 309 W C 0.226 176.780 176.519 0.057 0.000 1.247 309 W CA -0.472 56.895 57.345 0.036 0.000 1.440 309 W CB 0.743 30.235 29.460 0.054 0.000 1.040 309 W HN -0.184 nan 8.180 nan 0.000 0.606 310 I N 2.864 123.581 120.570 0.245 0.000 2.668 310 I HA 0.197 3.735 4.170 -1.053 0.000 0.276 310 I C -2.048 174.158 176.117 0.149 0.000 1.139 310 I CA -1.886 59.542 61.300 0.214 0.000 1.133 310 I CB 0.664 38.806 38.000 0.237 0.000 1.327 310 I HN -0.430 nan 8.210 nan 0.000 0.520 311 P HA 0.303 nan 4.420 nan 0.000 0.274 311 P C -2.545 174.820 177.300 0.109 0.000 1.256 311 P CA -1.296 61.847 63.100 0.072 0.000 0.795 311 P CB -0.389 31.327 31.700 0.028 0.000 1.038 312 P HA -0.023 nan 4.420 nan 0.000 0.265 312 P C -0.338 177.050 177.300 0.147 0.000 1.187 312 P CA 0.366 63.543 63.100 0.128 0.000 0.766 312 P CB -0.134 31.618 31.700 0.087 0.000 0.820 313 Y N 2.510 122.831 120.300 0.035 0.000 2.597 313 Y HA 0.001 3.923 4.550 -1.046 0.000 0.336 313 Y C 1.105 176.997 175.900 -0.014 0.000 1.216 313 Y CA 0.818 58.910 58.100 -0.013 0.000 1.463 313 Y CB 0.509 38.960 38.460 -0.015 0.000 1.303 313 Y HN 0.424 nan 8.280 nan 0.000 0.576 314 Q N 3.746 123.224 119.800 -0.536 0.000 2.057 314 Q HA 0.351 4.060 4.340 -1.053 0.000 0.216 314 Q C -0.188 175.454 176.000 -0.597 0.000 0.788 314 Q CA 0.187 55.730 55.803 -0.434 0.000 1.053 314 Q CB 0.894 29.503 28.738 -0.216 0.000 1.210 314 Q HN 1.060 nan 8.270 nan 0.000 0.455 315 G N 0.844 108.911 108.800 -1.221 0.000 2.497 315 G HA2 -0.230 3.098 3.960 -1.053 0.000 0.686 315 G HA3 -0.230 3.098 3.960 -1.053 0.000 0.686 315 G C -1.547 173.150 174.900 -0.338 0.000 1.288 315 G CA -1.033 43.654 45.100 -0.688 0.000 0.899 315 G HN 0.123 nan 8.290 nan 0.000 0.608 316 Y N 1.763 121.986 120.300 -0.128 0.000 2.442 316 Y HA 0.588 4.507 4.550 -1.051 0.000 0.330 316 Y C 0.254 176.125 175.900 -0.048 0.000 1.129 316 Y CA -0.833 57.264 58.100 -0.006 0.000 1.365 316 Y CB 1.103 39.579 38.460 0.027 0.000 1.233 316 Y HN 0.645 nan 8.280 nan 0.000 0.529 317 N N 5.630 124.075 118.700 -0.424 0.000 2.626 317 N HA 0.076 4.184 4.740 -1.053 0.000 0.249 317 N C 0.206 175.346 175.510 -0.616 0.000 1.021 317 N CA -0.286 52.483 53.050 -0.469 0.000 0.886 317 N CB 0.026 38.392 38.487 -0.203 0.000 1.149 317 N HN 0.949 nan 8.380 nan 0.000 0.517 318 N N 0.875 119.065 118.700 -0.850 0.000 2.588 318 N HA -0.118 3.990 4.740 -1.053 0.000 0.190 318 N C 0.273 175.692 175.510 -0.152 0.000 1.094 318 N CA 0.438 53.199 53.050 -0.481 0.000 0.921 318 N CB 0.199 38.501 38.487 -0.309 0.000 0.959 318 N HN 0.142 nan 8.380 nan 0.000 0.448 319 S N 0.121 115.736 115.700 -0.142 0.000 2.528 319 S HA 0.110 3.949 4.470 -1.053 0.000 0.219 319 S C 0.599 175.190 174.600 -0.015 0.000 0.985 319 S CA -0.277 57.888 58.200 -0.058 0.000 0.914 319 S CB 0.338 63.500 63.200 -0.063 0.000 0.776 319 S HN 0.129 nan 8.310 nan 0.000 0.526 320 V N 3.055 122.964 119.914 -0.010 0.000 2.583 320 V HA 0.176 3.664 4.120 -1.053 0.000 0.287 320 V C 0.065 176.216 176.094 0.095 0.000 1.051 320 V CA -0.799 61.525 62.300 0.039 0.000 1.010 320 V CB 1.212 33.062 31.823 0.046 0.000 0.988 320 V HN 0.172 nan 8.190 nan 0.000 0.478 321 D N 7.337 127.796 120.400 0.098 0.000 2.352 321 D HA 0.193 4.201 4.640 -1.053 0.000 0.245 321 D C -1.159 175.221 176.300 0.133 0.000 1.224 321 D CA -1.968 52.107 54.000 0.125 0.000 0.879 321 D CB 1.554 42.436 40.800 0.136 0.000 1.057 321 D HN 0.278 nan 8.370 nan 0.000 0.491 322 P HA -0.037 nan 4.420 nan 0.000 0.236 322 P C 0.135 177.398 177.300 -0.061 0.000 1.177 322 P CA 0.095 63.248 63.100 0.089 0.000 0.773 322 P CB 0.413 32.248 31.700 0.224 0.000 0.878 323 R N 0.325 120.804 120.500 -0.036 0.000 2.698 323 R HA 0.144 3.852 4.340 -1.053 0.000 0.266 323 R C 0.630 176.875 176.300 -0.092 0.000 1.026 323 R CA -0.345 55.705 56.100 -0.082 0.000 1.102 323 R CB 0.228 30.519 30.300 -0.015 0.000 0.978 323 R HN 0.041 nan 8.270 nan 0.000 0.436 324 I N 2.218 122.691 120.570 -0.162 0.000 2.441 324 I HA -0.010 3.528 4.170 -1.053 0.000 0.287 324 I C 0.971 176.946 176.117 -0.236 0.000 1.049 324 I CA 0.212 61.371 61.300 -0.236 0.000 1.381 324 I CB 0.808 38.712 38.000 -0.161 0.000 1.409 324 I HN 0.679 nan 8.210 nan 0.000 0.523 325 S N 5.025 120.450 115.700 -0.458 0.000 2.601 325 S HA 0.162 4.001 4.470 -1.053 0.000 0.271 325 S C 1.047 175.424 174.600 -0.372 0.000 1.305 325 S CA -0.638 57.161 58.200 -0.668 0.000 1.022 325 S CB 1.303 63.372 63.200 -1.886 0.000 0.940 325 S HN 0.627 nan 8.310 nan 0.000 0.525 326 N N 0.852 119.419 118.700 -0.223 0.000 2.272 326 N HA -0.124 3.984 4.740 -1.053 0.000 0.185 326 N C 1.473 176.992 175.510 0.015 0.000 1.014 326 N CA 1.179 54.226 53.050 -0.005 0.000 0.870 326 N CB -0.420 38.141 38.487 0.124 0.000 0.975 326 N HN 0.563 nan 8.380 nan 0.000 0.433 327 V N 0.099 119.889 119.914 -0.206 0.000 2.591 327 V HA -0.091 3.397 4.120 -1.053 0.000 0.249 327 V C 1.943 177.905 176.094 -0.219 0.000 1.053 327 V CA 0.902 63.041 62.300 -0.269 0.000 1.068 327 V CB -0.689 30.617 31.823 -0.861 0.000 0.689 327 V HN 0.187 nan 8.190 nan 0.000 0.462 328 F N 2.163 121.836 119.950 -0.461 0.000 2.126 328 F HA -0.208 3.686 4.527 -1.054 0.000 0.299 328 F C 2.643 178.339 175.800 -0.173 0.000 1.096 328 F CA 2.399 60.200 58.000 -0.332 0.000 1.255 328 F CB -0.783 37.976 39.000 -0.401 0.000 0.997 328 F HN 0.389 nan 8.300 nan 0.000 0.479 329 T N -2.473 111.980 114.554 -0.168 0.000 3.025 329 T HA -0.198 3.520 4.350 -1.053 0.000 0.270 329 T C 1.586 175.932 174.700 -0.590 0.000 1.126 329 T CA 1.470 63.358 62.100 -0.354 0.000 1.105 329 T CB -0.976 67.659 68.868 -0.388 0.000 0.884 329 T HN 0.322 nan 8.240 nan 0.000 0.522 330 F N 0.360 120.220 119.950 -0.151 0.000 2.653 330 F HA 0.586 4.482 4.527 -1.052 0.000 0.288 330 F C 2.672 178.472 175.800 -0.001 0.000 1.121 330 F CA -0.076 57.880 58.000 -0.074 0.000 1.384 330 F CB -0.242 38.727 39.000 -0.051 0.000 1.115 330 F HN 0.188 nan 8.300 nan 0.000 0.599 331 A N -0.067 122.767 122.820 0.023 0.000 1.969 331 A HA -0.165 3.523 4.320 -1.053 0.000 0.218 331 A C 1.881 179.554 177.584 0.149 0.000 1.169 331 A CA 1.083 53.141 52.037 0.034 0.000 0.635 331 A CB -0.951 17.996 19.000 -0.088 0.000 0.810 331 A HN 0.352 nan 8.150 nan 0.000 0.445 332 F N 0.944 120.676 119.950 -0.363 0.000 2.604 332 F HA 0.069 3.963 4.527 -1.056 0.000 0.298 332 F C 1.793 177.292 175.800 -0.501 0.000 1.131 332 F CA 0.263 58.021 58.000 -0.403 0.000 1.457 332 F CB -0.361 38.197 39.000 -0.737 0.000 1.095 332 F HN 0.219 nan 8.300 nan 0.000 0.574 333 R N 0.001 120.397 120.500 -0.174 0.000 2.328 333 R HA -0.105 3.604 4.340 -1.053 0.000 0.206 333 R C 1.790 178.022 176.300 -0.115 0.000 0.990 333 R CA 0.458 56.307 56.100 -0.418 0.000 1.085 333 R CB -0.890 29.225 30.300 -0.309 0.000 0.998 333 R HN 0.376 nan 8.270 nan 0.000 0.484 334 F N -1.172 118.830 119.950 0.087 0.000 2.365 334 F HA 0.111 4.005 4.527 -1.055 0.000 0.300 334 F C 1.914 177.769 175.800 0.091 0.000 1.090 334 F CA 0.650 58.706 58.000 0.093 0.000 1.408 334 F CB -0.877 38.162 39.000 0.064 0.000 1.060 334 F HN -0.136 nan 8.300 nan 0.000 0.534 335 G N -0.237 108.037 108.800 -0.877 0.000 2.470 335 G HA2 -0.232 3.096 3.960 -1.053 0.000 0.220 335 G HA3 -0.232 3.096 3.960 -1.053 0.000 0.220 335 G C 1.244 176.095 174.900 -0.082 0.000 1.121 335 G CA 0.913 45.663 45.100 -0.584 0.000 0.766 335 G HN 0.618 nan 8.290 nan 0.000 0.553 336 H N -0.260 118.809 119.070 -0.002 0.000 2.489 336 H HA 0.078 4.002 4.556 -1.053 0.000 0.293 336 H C 2.177 177.622 175.328 0.196 0.000 1.066 336 H CA 0.635 56.754 56.048 0.118 0.000 1.305 336 H CB 0.050 29.943 29.762 0.218 0.000 1.386 336 H HN 0.374 nan 8.280 nan 0.000 0.551 337 M N 0.006 119.804 119.600 0.330 0.000 2.494 337 M HA 0.037 3.885 4.480 -1.053 0.000 0.232 337 M C 0.494 176.935 176.300 0.235 0.000 1.137 337 M CA 0.735 56.202 55.300 0.279 0.000 1.012 337 M CB 0.470 33.208 32.600 0.230 0.000 1.567 337 M HN 0.247 nan 8.290 nan 0.000 0.486 338 E N 0.424 120.755 120.200 0.218 0.000 2.498 338 E HA 0.147 3.866 4.350 -1.053 0.000 0.203 338 E C -0.205 176.504 176.600 0.182 0.000 1.013 338 E CA -0.153 56.375 56.400 0.213 0.000 0.927 338 E CB 0.997 30.835 29.700 0.229 0.000 1.012 338 E HN 0.160 nan 8.360 nan 0.000 0.482 339 V N 4.834 124.853 119.914 0.175 0.000 2.432 339 V HA 0.144 3.633 4.120 -1.053 0.000 0.271 339 V C -1.731 174.463 176.094 0.167 0.000 1.046 339 V CA -1.441 60.951 62.300 0.154 0.000 0.945 339 V CB 0.555 32.469 31.823 0.152 0.000 0.992 339 V HN 0.072 nan 8.190 nan 0.000 0.471 340 P HA 0.197 nan 4.420 nan 0.000 0.279 340 P C 0.662 178.037 177.300 0.125 0.000 1.282 340 P CA -0.376 62.809 63.100 0.143 0.000 0.788 340 P CB 1.000 32.774 31.700 0.123 0.000 1.139 341 S N -1.920 113.850 115.700 0.116 0.000 2.446 341 S HA 0.035 3.873 4.470 -1.053 0.000 0.225 341 S C 1.038 175.673 174.600 0.058 0.000 1.016 341 S CA 0.652 58.907 58.200 0.092 0.000 0.943 341 S CB -1.074 62.179 63.200 0.089 0.000 0.786 341 S HN 0.748 nan 8.310 nan 0.000 0.508 342 T N -0.863 113.722 114.554 0.052 0.000 2.930 342 T HA 0.759 4.477 4.350 -1.053 0.000 0.290 342 T C -0.923 173.785 174.700 0.014 0.000 1.052 342 T CA -0.828 61.286 62.100 0.023 0.000 1.017 342 T CB 1.899 70.786 68.868 0.031 0.000 1.137 342 T HN 0.012 nan 8.240 nan 0.000 0.511 343 V N 1.678 121.584 119.914 -0.013 0.000 2.577 343 V HA 0.609 4.097 4.120 -1.053 0.000 0.303 343 V C -0.182 175.902 176.094 -0.016 0.000 1.042 343 V CA -0.735 61.553 62.300 -0.019 0.000 0.872 343 V CB 1.947 33.736 31.823 -0.057 0.000 0.998 343 V HN 1.139 nan 8.190 nan 0.000 0.423 344 S N 3.760 119.460 115.700 -0.000 0.000 2.638 344 S HA 0.791 4.629 4.470 -1.053 0.000 0.298 344 S C -0.458 174.129 174.600 -0.022 0.000 1.111 344 S CA -0.849 57.356 58.200 0.008 0.000 1.027 344 S CB 1.669 64.890 63.200 0.035 0.000 1.064 344 S HN 0.667 nan 8.310 nan 0.000 0.525 345 R N 1.035 121.533 120.500 -0.004 0.000 2.480 345 R HA 0.619 4.328 4.340 -1.053 0.000 0.306 345 R C -1.204 175.091 176.300 -0.008 0.000 0.958 345 R CA -0.223 55.829 56.100 -0.080 0.000 0.861 345 R CB 0.938 31.181 30.300 -0.095 0.000 1.171 345 R HN 0.473 nan 8.270 nan 0.000 0.445 346 L N 2.177 123.320 121.223 -0.133 0.000 2.333 346 L HA 0.543 4.251 4.340 -1.053 0.000 0.269 346 L C 0.015 176.778 176.870 -0.179 0.000 1.010 346 L CA -1.157 53.617 54.840 -0.110 0.000 0.818 346 L CB 1.724 43.667 42.059 -0.194 0.000 1.306 346 L HN 0.679 nan 8.230 nan 0.000 0.430 347 D N -0.313 120.077 120.400 -0.017 0.000 2.469 347 D HA 0.052 4.060 4.640 -1.053 0.000 0.278 347 D C 0.616 176.786 176.300 -0.216 0.000 1.231 347 D CA -0.364 53.668 54.000 0.054 0.000 1.075 347 D CB 0.397 41.332 40.800 0.225 0.000 1.121 347 D HN 0.523 nan 8.370 nan 0.000 0.571 348 E N -1.039 119.095 120.200 -0.110 0.000 2.338 348 E HA -0.101 3.617 4.350 -1.053 0.000 0.197 348 E C 0.805 177.312 176.600 -0.154 0.000 1.007 348 E CA 0.652 56.961 56.400 -0.152 0.000 0.849 348 E CB -0.391 29.294 29.700 -0.026 0.000 0.774 348 E HN 0.440 nan 8.360 nan 0.000 0.506 349 N N -0.402 118.230 118.700 -0.112 0.000 2.236 349 N HA 0.035 4.143 4.740 -1.053 0.000 0.196 349 N C -0.761 174.635 175.510 -0.190 0.000 1.114 349 N CA -0.119 52.916 53.050 -0.026 0.000 0.859 349 N CB 0.462 38.999 38.487 0.085 0.000 0.982 349 N HN 0.061 nan 8.380 nan 0.000 0.493 350 Y N 0.423 120.466 120.300 -0.428 0.000 3.892 350 Y HA -0.221 3.696 4.550 -1.055 0.000 0.231 350 Y C -0.292 175.490 175.900 -0.196 0.000 1.266 350 Y CA 0.224 58.047 58.100 -0.463 0.000 1.856 350 Y CB -1.809 36.037 38.460 -1.022 0.000 1.578 350 Y HN 0.178 nan 8.280 nan 0.000 0.669 351 Q N -0.484 119.306 119.800 -0.016 0.000 2.297 351 Q HA 0.535 4.244 4.340 -1.053 0.000 0.269 351 Q C -2.189 173.846 176.000 0.059 0.000 1.051 351 Q CA -2.283 53.544 55.803 0.041 0.000 0.869 351 Q CB 0.900 29.666 28.738 0.046 0.000 1.346 351 Q HN -0.060 nan 8.270 nan 0.000 0.457 352 P HA -0.130 nan 4.420 nan 0.000 0.268 352 P C -0.846 176.541 177.300 0.145 0.000 1.189 352 P CA 0.468 63.624 63.100 0.093 0.000 0.771 352 P CB 0.335 32.071 31.700 0.061 0.000 0.822 353 W N 4.092 125.370 121.300 -0.038 0.000 2.313 353 W HA 0.515 4.545 4.660 -1.050 0.000 0.315 353 W C 0.354 176.859 176.519 -0.023 0.000 0.917 353 W CA 0.872 58.193 57.345 -0.039 0.000 1.626 353 W CB 0.037 29.465 29.460 -0.054 0.000 1.574 353 W HN 0.799 nan 8.180 nan 0.000 0.395 354 G N 4.399 113.045 108.800 -0.256 0.000 2.582 354 G HA2 -0.248 3.080 3.960 -1.053 0.000 0.222 354 G HA3 -0.248 3.080 3.960 -1.053 0.000 0.222 354 G C -1.922 172.917 174.900 -0.103 0.000 1.311 354 G CA -0.449 44.483 45.100 -0.281 0.000 0.915 354 G HN 0.181 nan 8.290 nan 0.000 0.528 355 P HA 0.149 nan 4.420 nan 0.000 0.217 355 P C 0.949 178.248 177.300 -0.002 0.000 1.154 355 P CA 1.567 64.647 63.100 -0.035 0.000 0.841 355 P CB 0.026 31.705 31.700 -0.035 0.000 0.788 356 E N -1.061 119.147 120.200 0.013 0.000 2.723 356 E HA 0.363 4.082 4.350 -1.053 0.000 0.219 356 E C 0.982 177.625 176.600 0.071 0.000 1.060 356 E CA -0.288 56.135 56.400 0.037 0.000 1.291 356 E CB 0.242 29.968 29.700 0.042 0.000 1.265 356 E HN 0.055 nan 8.360 nan 0.000 0.438 357 A N 1.492 124.362 122.820 0.084 0.000 1.902 357 A HA -0.186 3.502 4.320 -1.053 0.000 0.217 357 A C 1.280 178.913 177.584 0.082 0.000 1.181 357 A CA 1.069 53.188 52.037 0.136 0.000 0.623 357 A CB -0.054 19.026 19.000 0.134 0.000 0.818 357 A HN 0.354 nan 8.150 nan 0.000 0.443 358 E N -0.220 120.010 120.200 0.050 0.000 2.174 358 E HA 0.569 4.287 4.350 -1.053 0.000 0.282 358 E C -1.215 175.389 176.600 0.006 0.000 0.992 358 E CA -0.450 55.967 56.400 0.028 0.000 0.803 358 E CB 0.540 30.261 29.700 0.034 0.000 1.090 358 E HN 0.401 nan 8.360 nan 0.000 0.396 359 L N 4.899 126.109 121.223 -0.021 0.000 2.333 359 L HA 0.558 4.267 4.340 -1.053 0.000 0.263 359 L C -2.331 174.496 176.870 -0.072 0.000 1.014 359 L CA -2.741 52.065 54.840 -0.056 0.000 0.820 359 L CB 2.070 44.070 42.059 -0.098 0.000 1.352 359 L HN 0.503 nan 8.230 nan 0.000 0.421 360 P HA 0.042 nan 4.420 nan 0.000 0.276 360 P C 0.618 177.810 177.300 -0.180 0.000 1.230 360 P CA -0.338 62.714 63.100 -0.080 0.000 0.776 360 P CB 0.799 32.465 31.700 -0.057 0.000 0.888 361 L N 4.420 125.576 121.223 -0.112 0.000 2.043 361 L HA -0.210 3.499 4.340 -1.053 0.000 0.212 361 L C 2.100 178.635 176.870 -0.559 0.000 1.075 361 L CA 2.216 56.920 54.840 -0.226 0.000 0.752 361 L CB -0.965 41.050 42.059 -0.074 0.000 0.891 361 L HN 0.655 nan 8.230 nan 0.000 0.432 362 H N -1.150 117.666 119.070 -0.425 0.000 2.543 362 H HA -0.111 3.813 4.556 -1.053 0.000 0.286 362 H C 1.644 176.816 175.328 -0.261 0.000 1.037 362 H CA 1.498 57.255 56.048 -0.486 0.000 1.250 362 H CB -0.601 29.227 29.762 0.109 0.000 1.373 362 H HN 0.479 nan 8.280 nan 0.000 0.580 363 T N -1.371 112.756 114.554 -0.712 0.000 3.100 363 T HA 0.161 3.880 4.350 -1.053 0.000 0.253 363 T C 1.805 176.334 174.700 -0.285 0.000 1.118 363 T CA -0.068 61.757 62.100 -0.457 0.000 1.058 363 T CB -0.296 68.313 68.868 -0.433 0.000 0.953 363 T HN 0.336 nan 8.240 nan 0.000 0.515 364 L N -0.241 120.746 121.223 -0.394 0.000 2.640 364 L HA 0.437 4.146 4.340 -1.053 0.000 0.230 364 L C -0.199 176.588 176.870 -0.138 0.000 1.123 364 L CA -0.561 54.108 54.840 -0.285 0.000 0.900 364 L CB -0.140 41.752 42.059 -0.279 0.000 1.146 364 L HN 0.150 nan 8.230 nan 0.000 0.484 365 F N 0.405 120.383 119.950 0.047 0.000 2.538 365 F HA 0.116 4.011 4.527 -1.054 0.000 0.371 365 F C 0.803 176.707 175.800 0.173 0.000 1.087 365 F CA -0.723 57.332 58.000 0.092 0.000 1.250 365 F CB -0.581 38.576 39.000 0.261 0.000 1.110 365 F HN -0.058 nan 8.300 nan 0.000 0.570 366 F N 0.544 120.607 119.950 0.189 0.000 3.090 366 F HA -0.327 3.570 4.527 -1.051 0.000 0.282 366 F C 0.613 176.419 175.800 0.011 0.000 0.923 366 F CA 0.333 58.382 58.000 0.082 0.000 0.977 366 F CB -1.218 37.874 39.000 0.152 0.000 0.954 366 F HN 0.499 nan 8.300 nan 0.000 0.695 367 N N 0.742 119.466 118.700 0.040 0.000 2.485 367 N HA 0.241 4.349 4.740 -1.053 0.000 0.243 367 N C 0.900 176.314 175.510 -0.160 0.000 0.987 367 N CA 0.639 53.640 53.050 -0.082 0.000 0.940 367 N CB 1.090 39.447 38.487 -0.216 0.000 1.122 367 N HN 0.262 nan 8.380 nan 0.000 0.509 368 T N -0.209 114.268 114.554 -0.129 0.000 2.990 368 T HA 0.024 3.743 4.350 -1.053 0.000 0.249 368 T C 1.792 176.428 174.700 -0.106 0.000 1.039 368 T CA -0.368 61.619 62.100 -0.188 0.000 1.036 368 T CB -0.292 68.339 68.868 -0.394 0.000 0.994 368 T HN 0.653 nan 8.240 nan 0.000 0.489 369 W N 2.266 123.508 121.300 -0.097 0.000 2.425 369 W HA 0.097 4.126 4.660 -1.051 0.000 0.277 369 W C 1.471 177.975 176.519 -0.025 0.000 1.231 369 W CA -0.085 57.223 57.345 -0.062 0.000 1.248 369 W CB -0.678 28.742 29.460 -0.065 0.000 1.117 369 W HN 0.051 nan 8.180 nan 0.000 0.568 370 R N 1.133 121.182 120.500 -0.752 0.000 2.115 370 R HA -0.053 3.655 4.340 -1.053 0.000 0.230 370 R C 2.085 178.234 176.300 -0.252 0.000 1.111 370 R CA 1.308 56.977 56.100 -0.718 0.000 0.976 370 R CB -0.661 29.135 30.300 -0.840 0.000 0.870 370 R HN 0.409 nan 8.270 nan 0.000 0.445 371 I N 0.233 120.696 120.570 -0.178 0.000 2.206 371 I HA -0.206 3.333 4.170 -1.053 0.000 0.239 371 I C 2.164 178.267 176.117 -0.023 0.000 1.078 371 I CA 0.699 61.939 61.300 -0.100 0.000 1.367 371 I CB -0.294 37.656 38.000 -0.084 0.000 1.078 371 I HN -0.055 nan 8.210 nan 0.000 0.413 372 I N 1.055 121.602 120.570 -0.037 0.000 2.127 372 I HA -0.283 3.255 4.170 -1.053 0.000 0.241 372 I C 2.044 178.278 176.117 0.195 0.000 1.075 372 I CA 1.890 63.221 61.300 0.051 0.000 1.334 372 I CB -1.006 37.057 38.000 0.105 0.000 1.040 372 I HN 0.235 nan 8.210 nan 0.000 0.405 373 K N -0.208 120.325 120.400 0.222 0.000 2.437 373 K HA -0.001 3.687 4.320 -1.053 0.000 0.205 373 K C -0.153 176.622 176.600 0.293 0.000 1.026 373 K CA 0.095 56.544 56.287 0.270 0.000 1.153 373 K CB 0.269 32.953 32.500 0.307 0.000 0.863 373 K HN 0.062 nan 8.250 nan 0.000 0.502 374 D N -1.073 119.469 120.400 0.237 0.000 3.007 374 D HA 0.196 4.205 4.640 -1.053 0.000 0.363 374 D C 0.261 176.734 176.300 0.288 0.000 1.474 374 D CA 0.507 54.681 54.000 0.290 0.000 0.767 374 D CB 0.670 41.608 40.800 0.230 0.000 1.227 374 D HN 0.200 nan 8.370 nan 0.000 0.471 375 G N -0.678 108.257 108.800 0.225 0.000 2.336 375 G HA2 0.229 3.557 3.960 -1.053 0.000 0.194 375 G HA3 0.229 3.557 3.960 -1.053 0.000 0.194 375 G C 0.988 175.805 174.900 -0.138 0.000 0.999 375 G CA 0.300 45.407 45.100 0.012 0.000 0.669 375 G HN 1.204 nan 8.290 nan 0.000 0.482 376 G N -0.211 108.564 108.800 -0.042 0.000 2.568 376 G HA2 0.109 3.438 3.960 -1.053 0.000 0.222 376 G HA3 0.109 3.438 3.960 -1.053 0.000 0.222 376 G C 0.786 175.631 174.900 -0.092 0.000 1.321 376 G CA 0.717 45.815 45.100 -0.004 0.000 0.893 376 G HN 1.715 nan 8.290 nan 0.000 0.569 377 I N -3.128 117.390 120.570 -0.087 0.000 4.057 377 I HA 0.438 3.976 4.170 -1.053 0.000 0.334 377 I C 1.384 177.396 176.117 -0.174 0.000 1.308 377 I CA 1.075 62.304 61.300 -0.118 0.000 1.125 377 I CB 0.526 38.487 38.000 -0.065 0.000 1.034 377 I HN 0.247 nan 8.210 nan 0.000 0.401 378 D N 2.596 122.869 120.400 -0.212 0.000 2.144 378 D HA -0.052 3.957 4.640 -1.053 0.000 0.200 378 D C -0.497 175.635 176.300 -0.280 0.000 0.978 378 D CA 1.499 55.376 54.000 -0.206 0.000 0.833 378 D CB -1.174 39.528 40.800 -0.164 0.000 0.961 378 D HN 0.334 nan 8.370 nan 0.000 0.470 379 P HA -0.039 nan 4.420 nan 0.000 0.217 379 P C 1.439 178.532 177.300 -0.344 0.000 1.151 379 P CA 0.763 63.534 63.100 -0.548 0.000 0.828 379 P CB 0.141 31.228 31.700 -1.022 0.000 0.788 380 L N -1.574 119.486 121.223 -0.271 0.000 2.072 380 L HA -0.105 3.603 4.340 -1.053 0.000 0.205 380 L C 2.262 179.078 176.870 -0.091 0.000 1.079 380 L CA 1.545 56.287 54.840 -0.164 0.000 0.752 380 L CB -1.461 40.512 42.059 -0.144 0.000 0.906 380 L HN -0.000 nan 8.230 nan 0.000 0.436 381 T N -0.505 113.999 114.554 -0.083 0.000 2.746 381 T HA -0.164 3.555 4.350 -1.053 0.000 0.267 381 T C 1.994 176.713 174.700 0.031 0.000 1.039 381 T CA 1.142 63.237 62.100 -0.010 0.000 1.142 381 T CB -0.168 68.694 68.868 -0.009 0.000 0.866 381 T HN 0.274 nan 8.240 nan 0.000 0.444 382 R N 0.536 121.016 120.500 -0.033 0.000 2.127 382 R HA -0.049 3.659 4.340 -1.053 0.000 0.238 382 R C 2.836 179.217 176.300 0.135 0.000 1.134 382 R CA 1.260 57.382 56.100 0.037 0.000 0.975 382 R CB -0.712 29.356 30.300 -0.388 0.000 0.865 382 R HN 0.445 nan 8.270 nan 0.000 0.447 383 G N 1.329 110.146 108.800 0.028 0.000 2.418 383 G HA2 -0.220 3.108 3.960 -1.053 0.000 0.217 383 G HA3 -0.220 3.108 3.960 -1.053 0.000 0.217 383 G C 1.452 176.409 174.900 0.094 0.000 1.158 383 G CA 0.323 45.456 45.100 0.055 0.000 0.771 383 G HN 0.146 nan 8.290 nan 0.000 0.545 384 L N -0.217 121.053 121.223 0.077 0.000 2.187 384 L HA -0.027 3.681 4.340 -1.053 0.000 0.213 384 L C 2.733 179.664 176.870 0.103 0.000 1.100 384 L CA 0.584 55.470 54.840 0.077 0.000 0.765 384 L CB -0.216 41.874 42.059 0.052 0.000 0.904 384 L HN 0.241 nan 8.230 nan 0.000 0.437 385 L N -1.394 119.930 121.223 0.168 0.000 2.200 385 L HA 0.065 3.773 4.340 -1.053 0.000 0.200 385 L C 2.651 179.686 176.870 0.276 0.000 1.072 385 L CA 0.771 55.729 54.840 0.197 0.000 0.787 385 L CB -0.587 41.648 42.059 0.293 0.000 0.957 385 L HN 0.078 nan 8.230 nan 0.000 0.459 386 A N -0.734 122.292 122.820 0.343 0.000 2.119 386 A HA 0.031 3.720 4.320 -1.053 0.000 0.216 386 A C 1.041 178.743 177.584 0.195 0.000 1.152 386 A CA 0.779 52.993 52.037 0.294 0.000 0.708 386 A CB -0.060 19.092 19.000 0.252 0.000 0.805 386 A HN 0.052 nan 8.150 nan 0.000 0.460 387 K N 0.667 121.165 120.400 0.163 0.000 2.139 387 K HA 0.490 4.178 4.320 -1.053 0.000 0.243 387 K C -0.501 176.176 176.600 0.129 0.000 0.983 387 K CA -0.327 56.037 56.287 0.130 0.000 0.890 387 K CB 1.086 33.651 32.500 0.107 0.000 1.090 387 K HN 0.231 nan 8.250 nan 0.000 0.445 388 K N 0.429 120.901 120.400 0.120 0.000 2.139 388 K HA 0.366 4.054 4.320 -1.053 0.000 0.243 388 K C 0.195 176.882 176.600 0.144 0.000 0.983 388 K CA -0.605 55.759 56.287 0.128 0.000 0.890 388 K CB 1.304 33.870 32.500 0.109 0.000 1.090 388 K HN 0.374 nan 8.250 nan 0.000 0.445 389 S N 0.510 116.317 115.700 0.178 0.000 2.681 389 S HA 0.150 3.988 4.470 -1.053 0.000 0.270 389 S C -0.317 174.390 174.600 0.178 0.000 1.209 389 S CA -0.617 57.709 58.200 0.210 0.000 0.988 389 S CB 0.758 64.157 63.200 0.332 0.000 1.006 389 S HN 0.404 nan 8.310 nan 0.000 0.558 390 K N 1.107 121.619 120.400 0.185 0.000 2.172 390 K HA 0.380 4.069 4.320 -1.053 0.000 0.276 390 K C -1.010 175.689 176.600 0.165 0.000 1.013 390 K CA -0.568 55.817 56.287 0.163 0.000 0.913 390 K CB 0.572 33.177 32.500 0.175 0.000 1.055 390 K HN 0.369 nan 8.250 nan 0.000 0.461 391 L N 4.745 126.039 121.223 0.118 0.000 2.326 391 L HA 0.239 3.948 4.340 -1.053 0.000 0.278 391 L C -0.022 176.897 176.870 0.082 0.000 1.092 391 L CA -0.170 54.730 54.840 0.099 0.000 0.810 391 L CB 1.177 43.269 42.059 0.055 0.000 1.153 391 L HN 0.740 nan 8.230 nan 0.000 0.439 392 M N 5.037 124.695 119.600 0.097 0.000 2.239 392 M HA 0.123 3.971 4.480 -1.053 0.000 0.348 392 M C -0.807 175.501 176.300 0.013 0.000 1.239 392 M CA 0.615 55.959 55.300 0.072 0.000 1.114 392 M CB 0.020 32.673 32.600 0.089 0.000 1.641 392 M HN 0.737 nan 8.290 nan 0.000 0.453 393 N N 3.470 122.154 118.700 -0.027 0.000 2.454 393 N HA 0.203 4.312 4.740 -1.053 0.000 0.291 393 N C 0.060 175.529 175.510 -0.069 0.000 1.079 393 N CA -0.205 52.807 53.050 -0.062 0.000 0.893 393 N CB 1.356 39.773 38.487 -0.117 0.000 1.512 393 N HN 0.672 nan 8.380 nan 0.000 0.497 394 Q N 0.703 120.472 119.800 -0.052 0.000 2.248 394 Q HA -0.138 3.571 4.340 -1.053 0.000 0.208 394 Q C -0.045 175.929 176.000 -0.045 0.000 0.984 394 Q CA 1.496 57.271 55.803 -0.047 0.000 0.875 394 Q CB 0.269 28.984 28.738 -0.038 0.000 0.910 394 Q HN 0.583 nan 8.270 nan 0.000 0.433 395 D N -0.206 120.156 120.400 -0.063 0.000 2.354 395 D HA 0.040 4.048 4.640 -1.053 0.000 0.209 395 D C -0.025 176.205 176.300 -0.116 0.000 1.015 395 D CA 0.635 54.601 54.000 -0.058 0.000 0.867 395 D CB 0.424 41.193 40.800 -0.053 0.000 0.933 395 D HN 0.115 nan 8.370 nan 0.000 0.520 396 K N 0.645 120.902 120.400 -0.238 0.000 2.814 396 K HA 0.331 4.019 4.320 -1.053 0.000 0.205 396 K C 0.652 177.086 176.600 -0.277 0.000 1.093 396 K CA -0.082 55.830 56.287 -0.625 0.000 1.035 396 K CB 1.645 33.434 32.500 -1.185 0.000 1.220 396 K HN -0.149 nan 8.250 nan 0.000 0.576 397 M N 0.071 119.706 119.600 0.058 0.000 2.100 397 M HA 0.047 3.895 4.480 -1.053 0.000 0.254 397 M C 0.690 177.172 176.300 0.304 0.000 1.106 397 M CA 1.072 56.460 55.300 0.147 0.000 1.127 397 M CB 0.148 32.818 32.600 0.117 0.000 1.263 397 M HN 0.036 nan 8.290 nan 0.000 0.427 398 V N 0.803 120.957 119.914 0.399 0.000 2.417 398 V HA 0.184 3.672 4.120 -1.053 0.000 0.291 398 V C 0.161 176.441 176.094 0.311 0.000 1.024 398 V CA -0.774 61.749 62.300 0.372 0.000 0.861 398 V CB 1.363 33.395 31.823 0.347 0.000 0.985 398 V HN 0.371 nan 8.190 nan 0.000 0.436 399 T N 3.102 117.808 114.554 0.253 0.000 2.946 399 T HA -0.007 3.711 4.350 -1.053 0.000 0.311 399 T C 1.460 176.148 174.700 -0.020 0.000 1.063 399 T CA 0.471 62.596 62.100 0.043 0.000 1.139 399 T CB 0.683 69.631 68.868 0.133 0.000 0.994 399 T HN 0.826 nan 8.240 nan 0.000 0.547 400 S N 3.308 118.918 115.700 -0.150 0.000 2.440 400 S HA -0.091 3.747 4.470 -1.053 0.000 0.238 400 S C 1.910 176.528 174.600 0.030 0.000 1.010 400 S CA 0.720 58.876 58.200 -0.074 0.000 0.972 400 S CB -0.163 62.963 63.200 -0.124 0.000 0.774 400 S HN 0.708 nan 8.310 nan 0.000 0.501 401 E N 0.915 121.163 120.200 0.080 0.000 2.204 401 E HA -0.044 3.674 4.350 -1.053 0.000 0.195 401 E C 1.747 178.543 176.600 0.327 0.000 0.990 401 E CA 0.808 57.322 56.400 0.191 0.000 0.821 401 E CB -0.143 29.667 29.700 0.184 0.000 0.750 401 E HN 0.506 nan 8.360 nan 0.000 0.477 402 L N -0.643 120.725 121.223 0.241 0.000 2.467 402 L HA 0.137 3.845 4.340 -1.053 0.000 0.213 402 L C 2.466 179.412 176.870 0.128 0.000 1.053 402 L CA -0.046 54.919 54.840 0.207 0.000 0.847 402 L CB -0.032 42.107 42.059 0.134 0.000 1.075 402 L HN -0.119 nan 8.230 nan 0.000 0.479 403 R N 0.477 121.044 120.500 0.111 0.000 2.115 403 R HA -0.033 3.676 4.340 -1.053 0.000 0.230 403 R C 1.049 177.395 176.300 0.076 0.000 1.111 403 R CA 1.073 57.226 56.100 0.089 0.000 0.976 403 R CB 0.045 30.386 30.300 0.069 0.000 0.870 403 R HN 0.402 nan 8.270 nan 0.000 0.445 404 N N -0.885 117.859 118.700 0.073 0.000 2.266 404 N HA 0.053 4.161 4.740 -1.053 0.000 0.217 404 N C 0.169 175.733 175.510 0.091 0.000 1.211 404 N CA 0.280 53.359 53.050 0.048 0.000 0.881 404 N CB 0.770 39.250 38.487 -0.012 0.000 1.153 404 N HN 0.053 nan 8.380 nan 0.000 0.489 405 K N 0.821 121.317 120.400 0.159 0.000 2.537 405 K HA 0.237 3.925 4.320 -1.053 0.000 0.206 405 K C -0.294 176.616 176.600 0.516 0.000 1.041 405 K CA -0.368 56.081 56.287 0.269 0.000 1.090 405 K CB 0.888 33.434 32.500 0.078 0.000 0.833 405 K HN -0.082 nan 8.250 nan 0.000 0.493 406 L N 1.513 122.957 121.223 0.368 0.000 2.455 406 L HA 0.193 3.901 4.340 -1.053 0.000 0.272 406 L C -0.563 176.426 176.870 0.198 0.000 1.174 406 L CA 0.038 54.963 54.840 0.143 0.000 0.869 406 L CB 0.029 42.072 42.059 -0.028 0.000 1.130 406 L HN 0.025 nan 8.230 nan 0.000 0.474 407 F N 4.964 124.804 119.950 -0.183 0.000 2.410 407 F HA 0.401 4.296 4.527 -1.053 0.000 0.349 407 F C -0.051 175.643 175.800 -0.177 0.000 1.117 407 F CA -0.276 57.653 58.000 -0.117 0.000 1.104 407 F CB 0.703 39.580 39.000 -0.204 0.000 1.122 407 F HN 0.472 nan 8.300 nan 0.000 0.483 408 Q N 8.479 127.794 119.800 -0.807 0.000 2.314 408 Q HA 0.222 3.930 4.340 -1.053 0.000 0.259 408 Q C -1.737 173.655 176.000 -1.014 0.000 0.951 408 Q CA -1.928 53.399 55.803 -0.793 0.000 0.909 408 Q CB 1.653 29.804 28.738 -0.978 0.000 1.236 408 Q HN 0.467 nan 8.270 nan 0.000 0.444 409 P HA -0.204 nan 4.420 nan 0.000 0.220 409 P C 0.671 177.566 177.300 -0.675 0.000 1.142 409 P CA 1.457 63.992 63.100 -0.943 0.000 0.801 409 P CB 0.411 31.666 31.700 -0.742 0.000 0.764 410 T N -2.065 112.083 114.554 -0.676 0.000 3.010 410 T HA 0.027 3.746 4.350 -1.053 0.000 0.252 410 T C 1.018 175.217 174.700 -0.836 0.000 1.047 410 T CA 0.528 62.193 62.100 -0.725 0.000 1.140 410 T CB -0.309 68.052 68.868 -0.846 0.000 0.885 410 T HN 0.265 nan 8.240 nan 0.000 0.464 411 H N 1.511 120.326 119.070 -0.425 0.000 2.500 411 H HA 0.376 4.300 4.556 -1.053 0.000 0.351 411 H C 0.304 175.373 175.328 -0.431 0.000 1.281 411 H CA -0.235 55.649 56.048 -0.274 0.000 1.368 411 H CB 0.749 30.534 29.762 0.039 0.000 1.616 411 H HN 0.156 nan 8.280 nan 0.000 0.591 412 K N 1.317 121.696 120.400 -0.036 0.000 2.969 412 K HA 0.150 3.839 4.320 -1.053 0.000 0.222 412 K C -0.489 176.451 176.600 0.567 0.000 1.172 412 K CA -0.026 56.328 56.287 0.113 0.000 1.192 412 K CB -0.022 32.608 32.500 0.217 0.000 1.111 412 K HN 0.419 nan 8.250 nan 0.000 0.457 413 H N -0.093 119.290 119.070 0.522 0.000 2.511 413 H HA 0.226 4.150 4.556 -1.053 0.000 0.228 413 H C 0.375 175.887 175.328 0.306 0.000 1.424 413 H CA -0.516 55.863 56.048 0.552 0.000 1.321 413 H CB 1.146 31.209 29.762 0.501 0.000 1.720 413 H HN 0.442 nan 8.280 nan 0.000 0.512 414 G N 0.264 109.238 108.800 0.289 0.000 4.424 414 G HA2 0.173 3.501 3.960 -1.053 0.000 0.287 414 G HA3 0.173 3.501 3.960 -1.053 0.000 0.287 414 G C -0.518 174.341 174.900 -0.068 0.000 1.023 414 G CA -0.124 45.019 45.100 0.071 0.000 0.790 414 G HN 0.113 nan 8.290 nan 0.000 0.468 415 F N 0.311 120.310 119.950 0.081 0.000 2.380 415 F HA 0.545 4.441 4.527 -1.052 0.000 0.319 415 F C 0.078 175.904 175.800 0.043 0.000 1.113 415 F CA -0.870 57.155 58.000 0.041 0.000 1.056 415 F CB 1.551 40.540 39.000 -0.019 0.000 1.289 415 F HN -0.079 nan 8.300 nan 0.000 0.515 416 D N 1.660 122.209 120.400 0.249 0.000 2.454 416 D HA 0.134 4.142 4.640 -1.053 0.000 0.247 416 D C 0.536 176.884 176.300 0.080 0.000 1.129 416 D CA -0.330 53.753 54.000 0.138 0.000 0.877 416 D CB 1.283 42.156 40.800 0.121 0.000 1.082 416 D HN 0.406 nan 8.370 nan 0.000 0.537 417 L N 4.511 125.739 121.223 0.008 0.000 2.191 417 L HA -0.001 3.707 4.340 -1.053 0.000 0.212 417 L C 1.904 178.674 176.870 -0.166 0.000 1.103 417 L CA 2.133 56.903 54.840 -0.117 0.000 0.769 417 L CB -0.484 41.427 42.059 -0.247 0.000 0.908 417 L HN 0.476 nan 8.230 nan 0.000 0.438 418 A N -0.647 122.135 122.820 -0.063 0.000 1.873 418 A HA 0.001 3.689 4.320 -1.053 0.000 0.215 418 A C 2.441 179.966 177.584 -0.099 0.000 1.186 418 A CA 1.493 53.483 52.037 -0.078 0.000 0.616 418 A CB -1.019 18.125 19.000 0.240 0.000 0.823 418 A HN 0.515 nan 8.150 nan 0.000 0.442 419 A N -0.120 122.702 122.820 0.004 0.000 1.930 419 A HA -0.011 3.677 4.320 -1.053 0.000 0.217 419 A C 2.100 179.659 177.584 -0.041 0.000 1.175 419 A CA 1.348 53.386 52.037 0.003 0.000 0.627 419 A CB -0.577 18.439 19.000 0.027 0.000 0.815 419 A HN 0.480 nan 8.150 nan 0.000 0.443 420 I N 0.073 120.646 120.570 0.005 0.000 2.163 420 I HA -0.320 3.218 4.170 -1.053 0.000 0.243 420 I C 2.300 178.471 176.117 0.090 0.000 1.085 420 I CA 1.693 63.070 61.300 0.128 0.000 1.347 420 I CB -0.594 37.493 38.000 0.145 0.000 1.044 420 I HN 0.464 nan 8.210 nan 0.000 0.408 421 N N 0.693 119.311 118.700 -0.136 0.000 2.069 421 N HA -0.173 3.936 4.740 -1.053 0.000 0.191 421 N C 1.971 177.419 175.510 -0.103 0.000 1.031 421 N CA 1.038 53.945 53.050 -0.238 0.000 0.852 421 N CB -0.090 37.803 38.487 -0.991 0.000 1.018 421 N HN 0.261 nan 8.380 nan 0.000 0.423 422 L N 0.596 121.761 121.223 -0.097 0.000 2.046 422 L HA -0.186 3.522 4.340 -1.053 0.000 0.208 422 L C 2.566 179.437 176.870 0.002 0.000 1.077 422 L CA 1.053 55.924 54.840 0.050 0.000 0.747 422 L CB -0.322 41.819 42.059 0.136 0.000 0.896 422 L HN 0.191 nan 8.230 nan 0.000 0.432 423 Q N 0.065 119.810 119.800 -0.092 0.000 2.224 423 Q HA -0.211 3.497 4.340 -1.053 0.000 0.203 423 Q C 2.174 178.179 176.000 0.008 0.000 0.970 423 Q CA 1.304 56.945 55.803 -0.270 0.000 0.865 423 Q CB -0.000 28.215 28.738 -0.872 0.000 0.922 423 Q HN 0.103 nan 8.270 nan 0.000 0.445 424 R N -1.030 119.610 120.500 0.234 0.000 2.115 424 R HA -0.000 3.708 4.340 -1.053 0.000 0.226 424 R C 1.993 178.412 176.300 0.197 0.000 1.100 424 R CA 1.409 57.794 56.100 0.475 0.000 0.980 424 R CB -0.846 29.773 30.300 0.531 0.000 0.875 424 R HN 0.400 nan 8.270 nan 0.000 0.445 425 C N -0.093 119.048 119.300 -0.266 0.000 2.429 425 C HA -0.038 3.790 4.460 -1.053 0.000 0.277 425 C C 2.462 177.374 174.990 -0.130 0.000 1.262 425 C CA 0.927 59.498 59.018 -0.745 0.000 1.733 425 C CB -0.844 26.573 27.740 -0.539 0.000 2.010 425 C HN 0.497 nan 8.230 nan 0.000 0.483 426 R N 0.797 121.347 120.500 0.084 0.000 2.081 426 R HA -0.140 3.569 4.340 -1.053 0.000 0.235 426 R C 1.920 178.398 176.300 0.297 0.000 1.131 426 R CA 1.856 58.097 56.100 0.234 0.000 0.960 426 R CB -0.560 29.945 30.300 0.341 0.000 0.856 426 R HN 0.515 nan 8.270 nan 0.000 0.436 427 D N 0.309 120.963 120.400 0.422 0.000 2.123 427 D HA -0.185 3.823 4.640 -1.053 0.000 0.196 427 D C 1.253 177.851 176.300 0.498 0.000 0.992 427 D CA 1.359 55.656 54.000 0.496 0.000 0.833 427 D CB -0.080 41.163 40.800 0.738 0.000 0.954 427 D HN 0.406 nan 8.370 nan 0.000 0.455 428 H N -1.305 117.934 119.070 0.282 0.000 2.543 428 H HA 0.230 4.154 4.556 -1.053 0.000 0.269 428 H C 1.035 176.371 175.328 0.012 0.000 1.005 428 H CA 0.159 56.355 56.048 0.248 0.000 1.146 428 H CB 0.155 30.163 29.762 0.410 0.000 1.353 428 H HN 0.272 nan 8.280 nan 0.000 0.595 429 G N 1.805 110.539 108.800 -0.109 0.000 2.305 429 G HA2 -0.285 3.043 3.960 -1.053 0.000 0.287 429 G HA3 -0.285 3.043 3.960 -1.053 0.000 0.287 429 G C 0.282 175.076 174.900 -0.176 0.000 1.036 429 G CA -0.101 44.647 45.100 -0.586 0.000 0.887 429 G HN 0.164 nan 8.290 nan 0.000 0.505 430 M N -0.091 119.507 119.600 -0.002 0.000 2.228 430 M HA 0.221 4.070 4.480 -1.053 0.000 0.351 430 M C -1.689 174.713 176.300 0.170 0.000 1.233 430 M CA -1.861 53.506 55.300 0.111 0.000 1.129 430 M CB 0.064 32.656 32.600 -0.013 0.000 1.604 430 M HN -0.026 nan 8.290 nan 0.000 0.457 431 P HA 0.175 nan 4.420 nan 0.000 0.274 431 P C 0.242 177.638 177.300 0.160 0.000 1.237 431 P CA -0.197 62.946 63.100 0.071 0.000 0.793 431 P CB 0.492 32.032 31.700 -0.266 0.000 0.977 432 G N -0.001 108.818 108.800 0.032 0.000 2.683 432 G HA2 -0.093 3.235 3.960 -1.053 0.000 0.260 432 G HA3 -0.093 3.235 3.960 -1.053 0.000 0.260 432 G C 0.368 175.393 174.900 0.208 0.000 1.238 432 G CA -0.050 45.100 45.100 0.083 0.000 0.934 432 G HN 0.475 nan 8.290 nan 0.000 0.534 433 Y N 0.417 120.752 120.300 0.059 0.000 2.070 433 Y HA -0.224 3.694 4.550 -1.053 0.000 0.280 433 Y C 2.659 178.620 175.900 0.101 0.000 1.148 433 Y CA 2.502 60.662 58.100 0.101 0.000 1.125 433 Y CB -0.205 38.243 38.460 -0.021 0.000 0.975 433 Y HN 0.430 nan 8.280 nan 0.000 0.492 434 N N -0.321 118.346 118.700 -0.055 0.000 2.364 434 N HA -0.160 3.949 4.740 -1.053 0.000 0.183 434 N C 2.015 177.442 175.510 -0.139 0.000 1.022 434 N CA 1.269 54.217 53.050 -0.170 0.000 0.883 434 N CB -0.383 38.072 38.487 -0.054 0.000 0.965 434 N HN 0.339 nan 8.380 nan 0.000 0.438 435 S N -0.752 114.859 115.700 -0.148 0.000 2.402 435 S HA -0.044 3.794 4.470 -1.053 0.000 0.229 435 S C 1.440 175.830 174.600 -0.349 0.000 1.021 435 S CA 0.680 58.714 58.200 -0.278 0.000 0.974 435 S CB -0.089 62.869 63.200 -0.403 0.000 0.800 435 S HN 0.472 nan 8.310 nan 0.000 0.484 436 W N 1.341 122.629 121.300 -0.021 0.000 2.523 436 W HA 0.193 4.223 4.660 -1.052 0.000 0.278 436 W C 2.401 178.937 176.519 0.029 0.000 1.236 436 W CA -0.331 57.033 57.345 0.031 0.000 1.306 436 W CB -0.009 29.451 29.460 0.001 0.000 1.101 436 W HN 0.038 nan 8.180 nan 0.000 0.577 437 R N 0.101 120.611 120.500 0.016 0.000 2.096 437 R HA -0.069 3.639 4.340 -1.053 0.000 0.235 437 R C 2.279 178.594 176.300 0.024 0.000 1.127 437 R CA 1.545 57.603 56.100 -0.070 0.000 0.968 437 R CB -1.401 28.719 30.300 -0.300 0.000 0.861 437 R HN 0.339 nan 8.270 nan 0.000 0.440 438 G N 0.027 108.834 108.800 0.011 0.000 2.403 438 G HA2 -0.266 3.063 3.960 -1.053 0.000 0.216 438 G HA3 -0.266 3.063 3.960 -1.053 0.000 0.216 438 G C 1.337 176.283 174.900 0.077 0.000 1.154 438 G CA 0.121 45.233 45.100 0.020 0.000 0.784 438 G HN 0.319 nan 8.290 nan 0.000 0.538 439 F N 0.937 120.878 119.950 -0.016 0.000 2.250 439 F HA -0.081 3.814 4.527 -1.054 0.000 0.301 439 F C 1.844 177.704 175.800 0.100 0.000 1.077 439 F CA 0.956 58.980 58.000 0.039 0.000 1.348 439 F CB 0.030 39.093 39.000 0.105 0.000 1.040 439 F HN 0.134 nan 8.300 nan 0.000 0.509 440 c N 0.982 119.694 118.600 0.188 0.000 2.780 440 c HA 0.452 4.390 4.570 -1.053 0.000 0.287 440 c C 1.594 175.749 174.090 0.109 0.000 1.288 440 c CA 0.336 56.739 56.329 0.123 0.000 1.713 440 c CB -1.194 41.439 42.510 0.205 0.000 1.955 440 c HN 0.834 nan 8.230 nan 0.000 0.613 441 G N 1.521 110.347 108.800 0.044 0.000 2.273 441 G HA2 -0.243 3.085 3.960 -1.053 0.000 0.280 441 G HA3 -0.243 3.085 3.960 -1.053 0.000 0.280 441 G C -0.235 174.692 174.900 0.046 0.000 1.047 441 G CA 0.179 45.298 45.100 0.032 0.000 0.869 441 G HN 0.559 nan 8.290 nan 0.000 0.502 442 L N 0.454 121.703 121.223 0.044 0.000 2.330 442 L HA 0.654 4.362 4.340 -1.053 0.000 0.271 442 L C 1.357 178.228 176.870 0.001 0.000 1.013 442 L CA -0.584 54.275 54.840 0.031 0.000 0.816 442 L CB 1.787 43.867 42.059 0.035 0.000 1.287 442 L HN 0.404 nan 8.230 nan 0.000 0.435 443 S N 1.167 116.869 115.700 0.005 0.000 2.559 443 S HA 0.050 3.889 4.470 -1.053 0.000 0.282 443 S C -0.325 174.261 174.600 -0.023 0.000 1.336 443 S CA -0.333 57.866 58.200 -0.001 0.000 1.037 443 S CB 0.367 63.574 63.200 0.013 0.000 0.853 443 S HN 0.627 nan 8.310 nan 0.000 0.523 444 Q N 2.261 122.049 119.800 -0.019 0.000 2.454 444 Q HA 0.364 4.073 4.340 -1.053 0.000 0.255 444 Q C -2.474 173.532 176.000 0.010 0.000 1.034 444 Q CA -1.928 53.855 55.803 -0.032 0.000 0.736 444 Q CB 1.471 30.185 28.738 -0.039 0.000 1.210 444 Q HN 0.615 nan 8.270 nan 0.000 0.500 445 P HA -0.010 nan 4.420 nan 0.000 0.267 445 P C -0.340 176.997 177.300 0.061 0.000 1.205 445 P CA 0.009 63.146 63.100 0.062 0.000 0.765 445 P CB 1.317 33.074 31.700 0.095 0.000 0.828 446 K N 0.631 121.059 120.400 0.046 0.000 2.391 446 K HA 0.115 3.803 4.320 -1.053 0.000 0.197 446 K C 1.071 177.696 176.600 0.041 0.000 1.087 446 K CA 0.502 56.817 56.287 0.046 0.000 1.012 446 K CB 0.572 33.096 32.500 0.040 0.000 0.925 446 K HN 0.603 nan 8.250 nan 0.000 0.547 447 T N -2.240 112.335 114.554 0.035 0.000 2.938 447 T HA 0.302 4.020 4.350 -1.053 0.000 0.285 447 T C 1.168 175.881 174.700 0.022 0.000 1.028 447 T CA -0.884 61.232 62.100 0.027 0.000 1.005 447 T CB 1.540 70.422 68.868 0.024 0.000 1.157 447 T HN -0.081 nan 8.240 nan 0.000 0.550 448 L N 0.375 121.606 121.223 0.013 0.000 1.989 448 L HA -0.055 3.653 4.340 -1.053 0.000 0.211 448 L C 2.708 179.585 176.870 0.013 0.000 1.071 448 L CA 2.087 56.932 54.840 0.008 0.000 0.749 448 L CB -0.572 41.489 42.059 0.002 0.000 0.890 448 L HN 0.887 nan 8.230 nan 0.000 0.431 449 K N 0.020 120.428 120.400 0.014 0.000 2.074 449 K HA -0.171 3.518 4.320 -1.053 0.000 0.209 449 K C 1.851 178.462 176.600 0.020 0.000 1.048 449 K CA 1.763 58.059 56.287 0.015 0.000 0.926 449 K CB -0.706 31.802 32.500 0.014 0.000 0.713 449 K HN 0.466 nan 8.250 nan 0.000 0.444 450 G N 0.597 109.412 108.800 0.025 0.000 2.418 450 G HA2 -0.232 3.096 3.960 -1.053 0.000 0.217 450 G HA3 -0.232 3.096 3.960 -1.053 0.000 0.217 450 G C 1.358 176.283 174.900 0.042 0.000 1.158 450 G CA 0.871 45.991 45.100 0.033 0.000 0.771 450 G HN 0.321 nan 8.290 nan 0.000 0.545 451 L N 0.508 121.756 121.223 0.041 0.000 2.201 451 L HA 0.024 3.732 4.340 -1.053 0.000 0.212 451 L C 2.795 179.682 176.870 0.027 0.000 1.105 451 L CA 1.567 56.433 54.840 0.044 0.000 0.775 451 L CB -0.491 41.582 42.059 0.024 0.000 0.913 451 L HN 0.329 nan 8.230 nan 0.000 0.440 452 Q N -1.577 118.234 119.800 0.019 0.000 2.119 452 Q HA -0.139 3.570 4.340 -1.053 0.000 0.201 452 Q C 1.862 177.872 176.000 0.017 0.000 0.972 452 Q CA 1.932 57.743 55.803 0.012 0.000 0.847 452 Q CB -0.180 28.563 28.738 0.010 0.000 0.903 452 Q HN 0.508 nan 8.270 nan 0.000 0.433 453 T N 0.360 114.928 114.554 0.023 0.000 2.857 453 T HA -0.060 3.659 4.350 -1.053 0.000 0.266 453 T C 2.042 176.762 174.700 0.033 0.000 1.048 453 T CA 0.844 62.959 62.100 0.025 0.000 1.139 453 T CB -0.058 68.825 68.868 0.025 0.000 0.874 453 T HN 0.022 nan 8.240 nan 0.000 0.455 454 V N 1.208 121.150 119.914 0.048 0.000 2.323 454 V HA -0.040 3.449 4.120 -1.053 0.000 0.244 454 V C 2.256 178.383 176.094 0.055 0.000 1.041 454 V CA 1.254 63.594 62.300 0.068 0.000 1.025 454 V CB -0.423 31.470 31.823 0.117 0.000 0.656 454 V HN 0.315 nan 8.190 nan 0.000 0.451 455 L N -0.599 120.646 121.223 0.036 0.000 2.341 455 L HA 0.122 3.831 4.340 -1.053 0.000 0.214 455 L C 1.332 178.205 176.870 0.005 0.000 1.115 455 L CA 0.931 55.777 54.840 0.010 0.000 0.820 455 L CB -0.992 41.057 42.059 -0.016 0.000 0.944 455 L HN 0.371 nan 8.230 nan 0.000 0.452 456 K N 0.460 120.866 120.400 0.010 0.000 3.071 456 K HA -0.227 3.462 4.320 -1.053 0.000 0.265 456 K C 0.051 176.651 176.600 0.000 0.000 1.060 456 K CA 0.550 56.841 56.287 0.007 0.000 0.767 456 K CB -1.524 30.981 32.500 0.007 0.000 1.241 456 K HN 0.327 nan 8.250 nan 0.000 0.486 457 N N 0.435 119.133 118.700 -0.002 0.000 2.599 457 N HA 0.152 4.260 4.740 -1.053 0.000 0.283 457 N C 0.209 175.716 175.510 -0.005 0.000 1.160 457 N CA -0.528 52.518 53.050 -0.006 0.000 0.869 457 N CB 1.207 39.687 38.487 -0.013 0.000 1.448 457 N HN -0.020 nan 8.380 nan 0.000 0.535 458 K N 2.246 122.645 120.400 -0.002 0.000 2.057 458 K HA 0.048 3.736 4.320 -1.053 0.000 0.207 458 K C 1.580 178.179 176.600 -0.002 0.000 1.049 458 K CA 1.207 57.494 56.287 -0.001 0.000 0.931 458 K CB 0.290 32.791 32.500 0.001 0.000 0.714 458 K HN 0.538 nan 8.250 nan 0.000 0.440 459 I N 0.836 121.404 120.570 -0.002 0.000 2.163 459 I HA -0.269 3.269 4.170 -1.053 0.000 0.240 459 I C 2.371 178.487 176.117 -0.002 0.000 1.081 459 I CA 0.662 61.961 61.300 -0.001 0.000 1.353 459 I CB -0.278 37.722 38.000 0.001 0.000 1.054 459 I HN 0.111 nan 8.210 nan 0.000 0.407 460 L N 1.509 122.728 121.223 -0.007 0.000 2.042 460 L HA -0.183 3.525 4.340 -1.053 0.000 0.210 460 L C 2.569 179.431 176.870 -0.013 0.000 1.076 460 L CA 2.198 57.031 54.840 -0.011 0.000 0.749 460 L CB -0.866 41.179 42.059 -0.023 0.000 0.893 460 L HN 0.202 nan 8.230 nan 0.000 0.432 461 A N -0.682 122.128 122.820 -0.016 0.000 1.908 461 A HA -0.288 3.400 4.320 -1.053 0.000 0.218 461 A C 2.480 180.060 177.584 -0.007 0.000 1.181 461 A CA 2.098 54.125 52.037 -0.017 0.000 0.627 461 A CB -0.668 18.326 19.000 -0.010 0.000 0.818 461 A HN 0.524 nan 8.150 nan 0.000 0.445 462 K N -0.242 120.156 120.400 -0.004 0.000 2.097 462 K HA -0.149 3.540 4.320 -1.053 0.000 0.206 462 K C 1.991 178.591 176.600 -0.001 0.000 1.049 462 K CA 1.668 57.953 56.287 -0.003 0.000 0.933 462 K CB -0.124 32.375 32.500 -0.002 0.000 0.717 462 K HN 0.493 nan 8.250 nan 0.000 0.442 463 K N 0.099 120.502 120.400 0.004 0.000 2.103 463 K HA -0.100 3.588 4.320 -1.053 0.000 0.204 463 K C 1.971 178.586 176.600 0.025 0.000 1.052 463 K CA 0.633 56.925 56.287 0.008 0.000 0.945 463 K CB -0.036 32.471 32.500 0.012 0.000 0.722 463 K HN 0.021 nan 8.250 nan 0.000 0.443 464 L N 0.895 122.144 121.223 0.044 0.000 2.046 464 L HA -0.092 3.616 4.340 -1.053 0.000 0.208 464 L C 2.130 179.079 176.870 0.133 0.000 1.077 464 L CA 1.663 56.574 54.840 0.119 0.000 0.747 464 L CB -0.369 41.711 42.059 0.036 0.000 0.896 464 L HN 0.228 nan 8.230 nan 0.000 0.432 465 M N -1.267 118.359 119.600 0.042 0.000 2.349 465 M HA -0.095 3.753 4.480 -1.053 0.000 0.266 465 M C 1.588 177.869 176.300 -0.032 0.000 1.076 465 M CA 0.947 56.252 55.300 0.007 0.000 1.126 465 M CB -0.978 31.612 32.600 -0.018 0.000 1.392 465 M HN 0.173 nan 8.290 nan 0.000 0.440 466 D N 0.351 120.734 120.400 -0.029 0.000 2.219 466 D HA -0.041 3.967 4.640 -1.053 0.000 0.205 466 D C 2.166 178.417 176.300 -0.082 0.000 0.970 466 D CA 0.988 54.956 54.000 -0.053 0.000 0.851 466 D CB 0.038 40.816 40.800 -0.036 0.000 0.943 466 D HN 0.325 nan 8.370 nan 0.000 0.488 467 L N -1.168 120.001 121.223 -0.090 0.000 2.253 467 L HA -0.031 3.677 4.340 -1.053 0.000 0.205 467 L C 1.742 178.435 176.870 -0.295 0.000 1.078 467 L CA 0.576 55.290 54.840 -0.209 0.000 0.805 467 L CB -0.005 41.878 42.059 -0.294 0.000 0.963 467 L HN -0.009 nan 8.230 nan 0.000 0.459 468 Y N -0.484 119.762 120.300 -0.091 0.000 2.509 468 Y HA 0.034 3.952 4.550 -1.053 0.000 0.270 468 Y C 1.356 177.120 175.900 -0.227 0.000 1.103 468 Y CA -0.328 57.709 58.100 -0.105 0.000 1.278 468 Y CB 0.373 38.789 38.460 -0.072 0.000 1.087 468 Y HN -0.036 nan 8.280 nan 0.000 0.542 469 K N -0.771 119.527 120.400 -0.170 0.000 3.507 469 K HA -0.266 3.422 4.320 -1.053 0.000 0.287 469 K C 0.471 176.836 176.600 -0.392 0.000 0.922 469 K CA 1.733 57.725 56.287 -0.491 0.000 1.216 469 K CB -1.825 29.945 32.500 -1.218 0.000 1.428 469 K HN 0.358 nan 8.250 nan 0.000 0.453 470 T N 0.120 114.572 114.554 -0.168 0.000 2.971 470 T HA 0.446 4.165 4.350 -1.053 0.000 0.304 470 T C -2.561 172.150 174.700 0.019 0.000 1.038 470 T CA -1.584 60.504 62.100 -0.019 0.000 1.007 470 T CB 2.251 71.190 68.868 0.119 0.000 1.055 470 T HN -0.252 nan 8.240 nan 0.000 0.451 471 P HA 0.006 nan 4.420 nan 0.000 0.225 471 P C 0.702 178.044 177.300 0.070 0.000 1.148 471 P CA 0.690 63.814 63.100 0.041 0.000 0.779 471 P CB 0.202 31.965 31.700 0.106 0.000 0.780 472 D N -1.270 119.165 120.400 0.058 0.000 2.269 472 D HA -0.072 3.937 4.640 -1.053 0.000 0.208 472 D C 1.208 177.512 176.300 0.007 0.000 0.963 472 D CA 0.906 54.931 54.000 0.042 0.000 0.864 472 D CB -0.495 40.328 40.800 0.038 0.000 0.936 472 D HN 0.162 nan 8.370 nan 0.000 0.505 473 N N -0.056 118.644 118.700 -0.001 0.000 2.299 473 N HA 0.116 4.224 4.740 -1.053 0.000 0.187 473 N C 0.370 175.777 175.510 -0.173 0.000 1.099 473 N CA -0.081 52.965 53.050 -0.005 0.000 0.867 473 N CB 0.573 39.151 38.487 0.151 0.000 0.974 473 N HN 0.211 nan 8.380 nan 0.000 0.477 474 I N 1.852 122.147 120.570 -0.458 0.000 2.668 474 I HA -0.077 3.461 4.170 -1.053 0.000 0.285 474 I C 0.135 176.014 176.117 -0.398 0.000 1.168 474 I CA 0.149 60.854 61.300 -0.991 0.000 1.424 474 I CB 0.235 37.775 38.000 -0.767 0.000 1.377 474 I HN -0.077 nan 8.210 nan 0.000 0.560 475 D N 5.870 126.090 120.400 -0.301 0.000 2.455 475 D HA -0.041 3.967 4.640 -1.053 0.000 0.241 475 D C 1.113 177.431 176.300 0.029 0.000 1.138 475 D CA -0.031 53.971 54.000 0.003 0.000 0.877 475 D CB 1.439 42.331 40.800 0.153 0.000 1.187 475 D HN 0.434 nan 8.370 nan 0.000 0.451 476 I N 2.991 123.612 120.570 0.086 0.000 2.151 476 I HA -0.254 3.284 4.170 -1.053 0.000 0.243 476 I C 1.934 178.115 176.117 0.107 0.000 1.080 476 I CA 1.474 62.840 61.300 0.110 0.000 1.339 476 I CB -0.294 37.703 38.000 -0.005 0.000 1.039 476 I HN 0.648 nan 8.210 nan 0.000 0.409 477 W N 0.777 122.062 121.300 -0.025 0.000 2.315 477 W HA -0.281 3.747 4.660 -1.054 0.000 0.323 477 W C 2.448 178.995 176.519 0.047 0.000 1.233 477 W CA 2.192 59.563 57.345 0.044 0.000 1.267 477 W CB -0.596 28.918 29.460 0.090 0.000 1.160 477 W HN 0.183 nan 8.180 nan 0.000 0.474 478 I N 0.990 121.505 120.570 -0.091 0.000 2.493 478 I HA -0.095 3.443 4.170 -1.053 0.000 0.254 478 I C 2.208 178.140 176.117 -0.307 0.000 1.160 478 I CA 1.864 62.955 61.300 -0.347 0.000 1.445 478 I CB -1.517 36.472 38.000 -0.018 0.000 1.086 478 I HN 0.205 nan 8.210 nan 0.000 0.433 479 G N 0.243 108.894 108.800 -0.249 0.000 2.414 479 G HA2 -0.203 3.126 3.960 -1.053 0.000 0.215 479 G HA3 -0.203 3.126 3.960 -1.053 0.000 0.215 479 G C 1.628 176.400 174.900 -0.213 0.000 1.188 479 G CA 0.670 45.513 45.100 -0.429 0.000 0.783 479 G HN 0.469 nan 8.290 nan 0.000 0.537 480 G N 0.361 109.155 108.800 -0.011 0.000 2.443 480 G HA2 -0.148 3.180 3.960 -1.053 0.000 0.219 480 G HA3 -0.148 3.180 3.960 -1.053 0.000 0.219 480 G C 1.586 176.449 174.900 -0.062 0.000 1.131 480 G CA 0.897 46.026 45.100 0.048 0.000 0.775 480 G HN 0.522 nan 8.290 nan 0.000 0.547 481 N N 0.155 118.736 118.700 -0.197 0.000 2.463 481 N HA 0.209 4.318 4.740 -1.053 0.000 0.181 481 N C 2.053 177.456 175.510 -0.179 0.000 1.078 481 N CA 0.505 53.423 53.050 -0.221 0.000 0.902 481 N CB 0.136 38.354 38.487 -0.449 0.000 0.970 481 N HN 0.307 nan 8.380 nan 0.000 0.451 482 A N 0.425 123.136 122.820 -0.182 0.000 2.178 482 A HA 0.068 3.757 4.320 -1.053 0.000 0.211 482 A C 0.492 178.026 177.584 -0.083 0.000 1.157 482 A CA 0.135 52.088 52.037 -0.141 0.000 0.780 482 A CB 0.111 19.006 19.000 -0.175 0.000 0.828 482 A HN 0.221 nan 8.150 nan 0.000 0.476 483 E N 1.147 121.316 120.200 -0.051 0.000 2.373 483 E HA 0.242 3.961 4.350 -1.053 0.000 0.267 483 E C -2.360 174.233 176.600 -0.011 0.000 1.032 483 E CA -1.870 54.529 56.400 -0.002 0.000 0.889 483 E CB 0.173 29.903 29.700 0.049 0.000 0.984 483 E HN 0.209 nan 8.360 nan 0.000 0.425 484 P HA -0.059 nan 4.420 nan 0.000 0.270 484 P C -0.513 176.782 177.300 -0.008 0.000 1.227 484 P CA 0.387 63.483 63.100 -0.006 0.000 0.788 484 P CB 0.506 32.206 31.700 0.001 0.000 0.926 485 M N 0.553 120.145 119.600 -0.014 0.000 2.288 485 M HA 0.232 4.080 4.480 -1.053 0.000 0.334 485 M C 0.187 176.479 176.300 -0.014 0.000 1.150 485 M CA -0.804 54.483 55.300 -0.021 0.000 1.118 485 M CB 0.810 33.395 32.600 -0.025 0.000 1.501 485 M HN 0.108 nan 8.290 nan 0.000 0.462 486 V N -0.544 119.361 119.914 -0.016 0.000 2.834 486 V HA 0.282 3.770 4.120 -1.053 0.000 0.301 486 V C 0.125 176.211 176.094 -0.014 0.000 1.066 486 V CA -0.934 61.364 62.300 -0.004 0.000 1.052 486 V CB 0.901 32.731 31.823 0.011 0.000 1.021 486 V HN 0.920 nan 8.190 nan 0.000 0.480 487 E N 3.030 123.225 120.200 -0.008 0.000 2.694 487 E HA -0.020 3.698 4.350 -1.053 0.000 0.250 487 E C 0.552 177.136 176.600 -0.027 0.000 0.963 487 E CA 0.568 56.958 56.400 -0.016 0.000 0.949 487 E CB -0.032 29.662 29.700 -0.010 0.000 0.911 487 E HN 0.723 nan 8.360 nan 0.000 0.500 488 R N 1.116 121.594 120.500 -0.038 0.000 3.875 488 R HA -0.199 3.509 4.340 -1.053 0.000 0.321 488 R C 0.202 176.458 176.300 -0.074 0.000 1.196 488 R CA 0.744 56.810 56.100 -0.056 0.000 0.868 488 R CB -2.038 28.232 30.300 -0.051 0.000 1.333 488 R HN 0.645 nan 8.270 nan 0.000 0.522 489 G N -0.920 107.839 108.800 -0.067 0.000 3.175 489 G HA2 0.609 3.937 3.960 -1.053 0.000 0.255 489 G HA3 0.609 3.937 3.960 -1.053 0.000 0.255 489 G C 0.247 175.099 174.900 -0.079 0.000 1.352 489 G CA -0.570 44.480 45.100 -0.083 0.000 1.037 489 G HN 0.025 nan 8.290 nan 0.000 0.556 490 R N -0.649 119.800 120.500 -0.084 0.000 2.590 490 R HA 0.298 4.007 4.340 -1.053 0.000 0.410 490 R C -0.218 176.000 176.300 -0.136 0.000 1.010 490 R CA -0.052 56.024 56.100 -0.041 0.000 1.155 490 R CB 0.305 30.681 30.300 0.128 0.000 1.455 490 R HN 0.626 nan 8.270 nan 0.000 0.567 491 V N -4.295 115.508 119.914 -0.186 0.000 3.147 491 V HA 0.903 4.392 4.120 -1.053 0.000 0.306 491 V C 0.295 176.321 176.094 -0.113 0.000 1.209 491 V CA -1.006 61.161 62.300 -0.222 0.000 1.023 491 V CB 1.717 33.287 31.823 -0.421 0.000 1.059 491 V HN 0.055 nan 8.190 nan 0.000 0.435 492 G N 0.524 109.279 108.800 -0.074 0.000 2.535 492 G HA2 0.548 3.877 3.960 -1.053 0.000 0.282 492 G HA3 0.548 3.877 3.960 -1.053 0.000 0.282 492 G C -1.812 173.087 174.900 -0.001 0.000 1.350 492 G CA -0.793 44.294 45.100 -0.021 0.000 1.039 492 G HN 0.651 nan 8.290 nan 0.000 0.509 493 P HA -0.088 nan 4.420 nan 0.000 0.215 493 P C 2.088 179.423 177.300 0.058 0.000 1.153 493 P CA 0.463 63.608 63.100 0.075 0.000 0.853 493 P CB 0.107 31.860 31.700 0.088 0.000 0.788 494 L N -1.200 120.056 121.223 0.056 0.000 2.005 494 L HA -0.106 3.602 4.340 -1.053 0.000 0.207 494 L C 2.082 178.949 176.870 -0.005 0.000 1.072 494 L CA 1.870 56.742 54.840 0.053 0.000 0.744 494 L CB -1.533 40.588 42.059 0.104 0.000 0.895 494 L HN -0.161 nan 8.230 nan 0.000 0.433 495 L N -0.013 121.198 121.223 -0.019 0.000 2.127 495 L HA -0.133 3.575 4.340 -1.053 0.000 0.211 495 L C 2.636 179.434 176.870 -0.120 0.000 1.089 495 L CA 1.907 56.708 54.840 -0.064 0.000 0.757 495 L CB -1.538 40.465 42.059 -0.095 0.000 0.899 495 L HN 0.394 nan 8.230 nan 0.000 0.434 496 A N -1.591 121.150 122.820 -0.131 0.000 1.877 496 A HA -0.289 3.400 4.320 -1.053 0.000 0.216 496 A C 2.593 179.901 177.584 -0.459 0.000 1.186 496 A CA 1.738 53.675 52.037 -0.166 0.000 0.620 496 A CB -1.447 17.541 19.000 -0.019 0.000 0.822 496 A HN 0.585 nan 8.150 nan 0.000 0.443 497 c N -0.274 117.957 118.600 -0.615 0.000 2.413 497 c HA -0.077 3.862 4.570 -1.053 0.000 0.276 497 c C 2.616 176.307 174.090 -0.665 0.000 1.236 497 c CA 1.325 56.889 56.329 -1.275 0.000 1.735 497 c CB -1.599 40.493 42.510 -0.697 0.000 2.031 497 c HN 0.569 nan 8.230 nan 0.000 0.474 498 L N 0.322 121.435 121.223 -0.183 0.000 2.093 498 L HA -0.100 3.609 4.340 -1.053 0.000 0.208 498 L C 2.705 179.692 176.870 0.196 0.000 1.085 498 L CA 1.361 56.271 54.840 0.118 0.000 0.755 498 L CB -0.582 41.514 42.059 0.062 0.000 0.904 498 L HN 0.422 nan 8.230 nan 0.000 0.435 499 L N -0.704 120.580 121.223 0.102 0.000 2.023 499 L HA -0.064 3.644 4.340 -1.053 0.000 0.205 499 L C 2.758 179.800 176.870 0.287 0.000 1.073 499 L CA 1.285 56.298 54.840 0.288 0.000 0.745 499 L CB -1.320 40.858 42.059 0.198 0.000 0.900 499 L HN 0.280 nan 8.230 nan 0.000 0.435 500 G N 0.188 109.025 108.800 0.062 0.000 2.529 500 G HA2 -0.301 3.028 3.960 -1.053 0.000 0.219 500 G HA3 -0.301 3.028 3.960 -1.053 0.000 0.219 500 G C 1.712 176.744 174.900 0.219 0.000 1.177 500 G CA 0.869 46.056 45.100 0.144 0.000 0.773 500 G HN 0.263 nan 8.290 nan 0.000 0.573 501 R N -0.363 120.195 120.500 0.097 0.000 2.080 501 R HA -0.125 3.583 4.340 -1.053 0.000 0.236 501 R C 2.684 179.082 176.300 0.163 0.000 1.137 501 R CA 1.656 57.831 56.100 0.126 0.000 0.943 501 R CB -0.583 29.687 30.300 -0.049 0.000 0.846 501 R HN 0.390 nan 8.270 nan 0.000 0.431 502 Q N 0.499 120.426 119.800 0.212 0.000 2.029 502 Q HA -0.188 3.520 4.340 -1.053 0.000 0.209 502 Q C 1.833 177.713 176.000 -0.201 0.000 0.999 502 Q CA 2.003 57.752 55.803 -0.091 0.000 0.857 502 Q CB -0.444 27.808 28.738 -0.811 0.000 0.926 502 Q HN 0.238 nan 8.270 nan 0.000 0.415 503 F N 0.623 120.574 119.950 0.001 0.000 2.171 503 F HA -0.167 3.728 4.527 -1.053 0.000 0.300 503 F C 2.500 178.472 175.800 0.286 0.000 1.090 503 F CA 1.619 59.705 58.000 0.144 0.000 1.293 503 F CB -0.577 38.428 39.000 0.008 0.000 1.013 503 F HN 0.310 nan 8.300 nan 0.000 0.486 504 Q N 0.689 120.708 119.800 0.365 0.000 2.167 504 Q HA -0.199 3.509 4.340 -1.053 0.000 0.202 504 Q C 1.908 178.006 176.000 0.164 0.000 0.970 504 Q CA 1.503 57.472 55.803 0.276 0.000 0.855 504 Q CB -0.234 28.647 28.738 0.238 0.000 0.911 504 Q HN 0.506 nan 8.270 nan 0.000 0.438 505 Q N 0.334 120.216 119.800 0.137 0.000 2.083 505 Q HA -0.047 3.662 4.340 -1.053 0.000 0.198 505 Q C 2.240 178.307 176.000 0.110 0.000 0.969 505 Q CA 1.493 57.359 55.803 0.104 0.000 0.838 505 Q CB -0.098 28.704 28.738 0.107 0.000 0.900 505 Q HN 0.622 nan 8.270 nan 0.000 0.436 506 I N -1.852 118.778 120.570 0.100 0.000 3.111 506 I HA -0.063 3.476 4.170 -1.053 0.000 0.272 506 I C 2.233 178.442 176.117 0.153 0.000 1.268 506 I CA 0.786 62.171 61.300 0.141 0.000 1.467 506 I CB -0.158 37.900 38.000 0.096 0.000 1.087 506 I HN 0.027 nan 8.210 nan 0.000 0.467 507 R N 1.486 121.967 120.500 -0.031 0.000 2.128 507 R HA -0.046 3.662 4.340 -1.053 0.000 0.211 507 R C 1.066 177.153 176.300 -0.355 0.000 1.067 507 R CA 1.243 56.984 56.100 -0.599 0.000 1.010 507 R CB -0.090 29.567 30.300 -1.072 0.000 0.922 507 R HN 0.305 nan 8.270 nan 0.000 0.457 508 D N -0.407 119.962 120.400 -0.052 0.000 2.323 508 D HA 0.042 4.050 4.640 -1.053 0.000 0.209 508 D C 1.136 177.568 176.300 0.221 0.000 0.973 508 D CA 0.946 55.002 54.000 0.093 0.000 0.874 508 D CB 0.235 41.070 40.800 0.058 0.000 0.930 508 D HN 0.439 nan 8.370 nan 0.000 0.521 509 G N -0.164 108.791 108.800 0.259 0.000 3.502 509 G HA2 0.002 3.330 3.960 -1.053 0.000 0.267 509 G HA3 0.002 3.330 3.960 -1.053 0.000 0.267 509 G C -0.208 175.019 174.900 0.546 0.000 1.090 509 G CA -0.269 45.069 45.100 0.397 0.000 0.795 509 G HN -0.049 nan 8.290 nan 0.000 0.535 510 D N 0.237 120.888 120.400 0.418 0.000 2.427 510 D HA 0.210 4.219 4.640 -1.053 0.000 0.226 510 D C 1.509 177.707 176.300 -0.170 0.000 1.076 510 D CA -0.737 53.407 54.000 0.239 0.000 0.849 510 D CB 1.106 42.152 40.800 0.411 0.000 1.052 510 D HN 0.070 nan 8.370 nan 0.000 0.515 511 R N 2.666 122.747 120.500 -0.699 0.000 2.170 511 R HA -0.119 3.589 4.340 -1.053 0.000 0.242 511 R C 0.627 176.454 176.300 -0.789 0.000 1.145 511 R CA 1.364 56.707 56.100 -1.262 0.000 0.984 511 R CB -0.075 29.552 30.300 -1.123 0.000 0.869 511 R HN 0.374 nan 8.270 nan 0.000 0.455 512 F N -0.534 119.276 119.950 -0.234 0.000 2.668 512 F HA 0.165 4.057 4.527 -1.058 0.000 0.297 512 F C 0.383 176.238 175.800 0.091 0.000 1.124 512 F CA -0.792 57.154 58.000 -0.090 0.000 1.353 512 F CB -0.067 38.861 39.000 -0.119 0.000 0.992 512 F HN 0.100 nan 8.300 nan 0.000 0.524 513 W N 2.901 124.234 121.300 0.055 0.000 2.231 513 W HA -0.123 3.923 4.660 -1.024 0.000 0.341 513 W C 1.371 177.974 176.519 0.141 0.000 1.298 513 W CA -0.607 56.779 57.345 0.070 0.000 1.266 513 W CB 0.462 29.865 29.460 -0.095 0.000 1.172 513 W HN 0.508 nan 8.180 nan 0.000 0.568 514 W N 4.302 125.314 121.300 -0.479 0.000 2.342 514 W HA -0.206 3.866 4.660 -0.980 0.000 0.297 514 W C 0.853 177.397 176.519 0.041 0.000 1.213 514 W CA 1.543 58.856 57.345 -0.053 0.000 1.251 514 W CB -0.755 28.571 29.460 -0.224 0.000 1.136 514 W HN 0.465 nan 8.180 nan 0.000 0.526 515 E N 0.816 120.362 120.200 -1.089 0.000 2.482 515 E HA -0.116 3.603 4.350 -1.053 0.000 0.196 515 E C 0.201 176.806 176.600 0.008 0.000 1.047 515 E CA -0.086 55.846 56.400 -0.779 0.000 0.869 515 E CB -0.355 28.745 29.700 -1.001 0.000 0.836 515 E HN 0.046 nan 8.360 nan 0.000 0.520 516 N N 2.241 121.041 118.700 0.166 0.000 2.427 516 N HA 0.022 4.131 4.740 -1.053 0.000 0.269 516 N C -2.675 172.911 175.510 0.127 0.000 1.235 516 N CA -1.731 51.478 53.050 0.264 0.000 0.934 516 N CB 0.577 39.193 38.487 0.216 0.000 1.121 516 N HN -0.237 nan 8.380 nan 0.000 0.480 517 P HA 0.033 nan 4.420 nan 0.000 0.259 517 P C 0.674 177.986 177.300 0.020 0.000 1.163 517 P CA 0.933 64.068 63.100 0.058 0.000 0.760 517 P CB 0.359 32.084 31.700 0.042 0.000 0.762 518 G N 1.497 110.305 108.800 0.014 0.000 2.213 518 G HA2 -0.284 3.045 3.960 -1.053 0.000 0.236 518 G HA3 -0.284 3.045 3.960 -1.053 0.000 0.236 518 G C 0.918 175.778 174.900 -0.066 0.000 0.991 518 G CA 0.168 45.251 45.100 -0.028 0.000 0.629 518 G HN 0.412 nan 8.290 nan 0.000 0.517 519 V N -0.563 119.320 119.914 -0.052 0.000 2.535 519 V HA 0.419 3.907 4.120 -1.053 0.000 0.246 519 V C 1.123 177.029 176.094 -0.313 0.000 1.045 519 V CA 1.794 64.003 62.300 -0.151 0.000 1.058 519 V CB -0.286 31.497 31.823 -0.067 0.000 0.689 519 V HN 0.318 nan 8.190 nan 0.000 0.461 520 F N -0.942 119.048 119.950 0.066 0.000 2.650 520 F HA 0.516 4.451 4.527 -0.988 0.000 0.320 520 F C 0.433 176.221 175.800 -0.020 0.000 1.091 520 F CA -0.736 57.286 58.000 0.038 0.000 0.962 520 F CB 1.777 40.852 39.000 0.126 0.000 1.363 520 F HN -0.165 nan 8.300 nan 0.000 0.482 521 T N -2.626 112.004 114.554 0.126 0.000 2.934 521 T HA 0.309 4.027 4.350 -1.053 0.000 0.283 521 T C 0.676 175.399 174.700 0.037 0.000 1.005 521 T CA -0.523 61.593 62.100 0.027 0.000 1.041 521 T CB 1.595 70.427 68.868 -0.060 0.000 1.042 521 T HN 0.678 nan 8.240 nan 0.000 0.505 522 E N 0.357 120.576 120.200 0.033 0.000 2.147 522 E HA -0.179 3.539 4.350 -1.053 0.000 0.199 522 E C 2.047 178.659 176.600 0.021 0.000 1.005 522 E CA 1.479 57.904 56.400 0.042 0.000 0.810 522 E CB -0.028 29.690 29.700 0.031 0.000 0.736 522 E HN 0.628 nan 8.360 nan 0.000 0.460 523 K N 0.099 120.487 120.400 -0.021 0.000 2.062 523 K HA -0.123 3.565 4.320 -1.053 0.000 0.205 523 K C 2.189 178.735 176.600 -0.091 0.000 1.051 523 K CA 1.065 57.326 56.287 -0.042 0.000 0.941 523 K CB 0.076 32.543 32.500 -0.056 0.000 0.719 523 K HN 0.162 nan 8.250 nan 0.000 0.440 524 Q N -0.059 119.617 119.800 -0.206 0.000 2.079 524 Q HA -0.120 3.588 4.340 -1.053 0.000 0.200 524 Q C 2.089 178.017 176.000 -0.119 0.000 0.974 524 Q CA 1.192 56.744 55.803 -0.418 0.000 0.840 524 Q CB -0.021 28.329 28.738 -0.646 0.000 0.898 524 Q HN 0.211 nan 8.270 nan 0.000 0.430 525 R N 0.663 121.160 120.500 -0.005 0.000 2.096 525 R HA -0.118 3.590 4.340 -1.053 0.000 0.235 525 R C 1.747 178.096 176.300 0.082 0.000 1.127 525 R CA 1.129 57.302 56.100 0.122 0.000 0.968 525 R CB -0.147 30.327 30.300 0.290 0.000 0.861 525 R HN 0.335 nan 8.270 nan 0.000 0.440 526 D N 0.110 120.540 120.400 0.050 0.000 2.149 526 D HA -0.100 3.908 4.640 -1.053 0.000 0.198 526 D C 1.791 178.078 176.300 -0.021 0.000 0.990 526 D CA 1.254 55.273 54.000 0.033 0.000 0.839 526 D CB 0.141 40.957 40.800 0.027 0.000 0.948 526 D HN 0.058 nan 8.370 nan 0.000 0.460 527 S N 0.188 115.871 115.700 -0.029 0.000 2.345 527 S HA -0.048 3.790 4.470 -1.053 0.000 0.220 527 S C 2.222 176.653 174.600 -0.281 0.000 1.031 527 S CA 0.444 58.606 58.200 -0.063 0.000 0.996 527 S CB -0.095 63.181 63.200 0.128 0.000 0.882 527 S HN 0.233 nan 8.310 nan 0.000 0.445 528 L N 1.375 122.354 121.223 -0.406 0.000 2.127 528 L HA -0.158 3.550 4.340 -1.053 0.000 0.211 528 L C 2.418 178.888 176.870 -0.666 0.000 1.089 528 L CA 1.080 55.375 54.840 -0.909 0.000 0.757 528 L CB -0.632 40.962 42.059 -0.774 0.000 0.899 528 L HN 0.356 nan 8.230 nan 0.000 0.434 529 Q N 0.107 119.690 119.800 -0.361 0.000 2.439 529 Q HA -0.185 3.523 4.340 -1.053 0.000 0.211 529 Q C 1.750 177.682 176.000 -0.113 0.000 0.978 529 Q CA 1.078 56.766 55.803 -0.192 0.000 0.897 529 Q CB 0.004 28.735 28.738 -0.012 0.000 0.956 529 Q HN 0.474 nan 8.270 nan 0.000 0.483 530 K N -0.545 119.761 120.400 -0.157 0.000 2.361 530 K HA 0.105 3.793 4.320 -1.053 0.000 0.194 530 K C -0.157 176.440 176.600 -0.003 0.000 1.032 530 K CA -0.311 55.932 56.287 -0.073 0.000 1.048 530 K CB 0.374 32.826 32.500 -0.079 0.000 0.842 530 K HN 0.036 nan 8.250 nan 0.000 0.526 531 F N 1.861 121.787 119.950 -0.039 0.000 2.646 531 F HA -0.161 4.284 4.527 -0.137 0.000 0.363 531 F C 1.029 176.868 175.800 0.066 0.000 1.143 531 F CA 0.299 58.326 58.000 0.044 0.000 1.356 531 F CB 0.452 39.547 39.000 0.157 0.000 1.055 531 F HN -0.000 nan 8.300 nan 0.000 0.606 532 S N 2.499 118.406 115.700 0.346 0.000 2.547 532 S HA 0.311 4.149 4.470 -1.053 0.000 0.270 532 S C -0.097 174.633 174.600 0.216 0.000 1.150 532 S CA -0.952 57.369 58.200 0.201 0.000 0.850 532 S CB 0.841 64.099 63.200 0.096 0.000 1.118 532 S HN 0.543 nan 8.310 nan 0.000 0.461 533 F N 2.286 122.239 119.950 0.006 0.000 2.186 533 F HA 0.001 3.902 4.527 -1.042 0.000 0.299 533 F C 2.510 178.261 175.800 -0.081 0.000 1.090 533 F CA 2.100 60.078 58.000 -0.037 0.000 1.307 533 F CB -0.344 38.462 39.000 -0.325 0.000 1.019 533 F HN 0.695 nan 8.300 nan 0.000 0.489 534 S N 0.070 115.794 115.700 0.040 0.000 2.374 534 S HA -0.291 3.548 4.470 -1.053 0.000 0.227 534 S C 1.976 176.530 174.600 -0.076 0.000 1.037 534 S CA 1.623 59.807 58.200 -0.026 0.000 1.024 534 S CB -0.439 62.726 63.200 -0.058 0.000 0.861 534 S HN 0.292 nan 8.310 nan 0.000 0.456 535 R N 1.203 121.660 120.500 -0.071 0.000 2.092 535 R HA 0.072 3.781 4.340 -1.053 0.000 0.231 535 R C 2.132 178.321 176.300 -0.186 0.000 1.119 535 R CA 0.893 56.938 56.100 -0.092 0.000 0.970 535 R CB -0.854 29.421 30.300 -0.043 0.000 0.864 535 R HN 0.385 nan 8.270 nan 0.000 0.440 536 L N 0.236 121.274 121.223 -0.308 0.000 2.079 536 L HA -0.116 3.592 4.340 -1.053 0.000 0.210 536 L C 1.911 178.541 176.870 -0.399 0.000 1.081 536 L CA 1.729 56.271 54.840 -0.497 0.000 0.752 536 L CB -0.232 41.315 42.059 -0.855 0.000 0.896 536 L HN 0.291 nan 8.230 nan 0.000 0.433 537 I N -1.831 118.539 120.570 -0.334 0.000 2.202 537 I HA -0.343 3.196 4.170 -1.053 0.000 0.242 537 I C 2.499 178.534 176.117 -0.136 0.000 1.091 537 I CA 1.259 62.440 61.300 -0.198 0.000 1.368 537 I CB -0.633 37.318 38.000 -0.081 0.000 1.058 537 I HN 0.342 nan 8.210 nan 0.000 0.410 538 c N 0.901 119.438 118.600 -0.105 0.000 2.413 538 c HA -0.183 3.755 4.570 -1.053 0.000 0.277 538 c C 2.174 176.211 174.090 -0.089 0.000 1.265 538 c CA 0.938 57.227 56.329 -0.067 0.000 1.752 538 c CB -1.036 41.446 42.510 -0.047 0.000 1.998 538 c HN 0.527 nan 8.230 nan 0.000 0.489 539 D N -0.009 120.314 120.400 -0.129 0.000 2.349 539 D HA 0.006 4.014 4.640 -1.053 0.000 0.215 539 D C 1.034 177.237 176.300 -0.161 0.000 1.016 539 D CA 0.661 54.582 54.000 -0.133 0.000 0.870 539 D CB -0.392 40.320 40.800 -0.146 0.000 0.917 539 D HN 0.597 nan 8.370 nan 0.000 0.524 540 N N 0.126 118.711 118.700 -0.193 0.000 2.194 540 N HA 0.027 4.135 4.740 -1.053 0.000 0.231 540 N C 0.331 175.692 175.510 -0.248 0.000 1.247 540 N CA 0.192 53.114 53.050 -0.214 0.000 0.884 540 N CB 1.828 40.178 38.487 -0.227 0.000 1.146 540 N HN 0.190 nan 8.380 nan 0.000 0.516 541 T N -3.161 111.240 114.554 -0.256 0.000 2.618 541 T HA 0.367 4.085 4.350 -1.053 0.000 0.286 541 T C -0.195 174.300 174.700 -0.340 0.000 1.027 541 T CA -0.410 61.507 62.100 -0.305 0.000 1.063 541 T CB 1.622 70.390 68.868 -0.167 0.000 1.440 541 T HN 0.046 nan 8.240 nan 0.000 0.505 542 H N -0.618 118.440 119.070 -0.019 0.000 2.512 542 H HA 0.445 4.371 4.556 -1.050 0.000 0.276 542 H C -0.058 175.274 175.328 0.008 0.000 1.126 542 H CA -0.702 55.353 56.048 0.012 0.000 1.060 542 H CB 0.248 30.048 29.762 0.064 0.000 1.646 542 H HN 0.290 nan 8.280 nan 0.000 0.571 543 I N 1.397 122.013 120.570 0.076 0.000 2.581 543 I HA 0.029 3.567 4.170 -1.053 0.000 0.288 543 I C 1.455 177.631 176.117 0.099 0.000 1.047 543 I CA 0.316 61.660 61.300 0.073 0.000 1.374 543 I CB 1.267 39.310 38.000 0.071 0.000 1.423 543 I HN 0.270 nan 8.210 nan 0.000 0.549 544 T N 0.399 115.031 114.554 0.131 0.000 2.986 544 T HA 0.237 3.955 4.350 -1.053 0.000 0.264 544 T C 0.506 175.306 174.700 0.167 0.000 0.964 544 T CA -0.284 61.890 62.100 0.124 0.000 0.895 544 T CB 0.497 69.430 68.868 0.108 0.000 1.163 544 T HN 0.340 nan 8.240 nan 0.000 0.517 545 K N 2.614 123.171 120.400 0.262 0.000 2.358 545 K HA 0.712 4.400 4.320 -1.053 0.000 0.260 545 K C -0.663 176.223 176.600 0.477 0.000 0.956 545 K CA -0.545 55.961 56.287 0.365 0.000 0.834 545 K CB 2.512 35.303 32.500 0.485 0.000 1.102 545 K HN 0.335 nan 8.250 nan 0.000 0.431 546 V N -0.221 119.875 119.914 0.303 0.000 3.147 546 V HA 0.677 4.165 4.120 -1.053 0.000 0.306 546 V C -2.765 173.171 176.094 -0.262 0.000 1.209 546 V CA -2.235 60.126 62.300 0.103 0.000 1.023 546 V CB 2.389 34.240 31.823 0.047 0.000 1.059 546 V HN 0.482 nan 8.190 nan 0.000 0.435 550 H N 0.274 119.280 119.070 -0.106 0.000 2.697 550 H HA 0.652 4.575 4.556 -1.055 0.000 0.270 550 H C 1.024 176.283 175.328 -0.114 0.000 1.188 550 H CA 0.244 56.256 56.048 -0.061 0.000 1.322 550 H CB 1.085 30.832 29.762 -0.023 0.000 1.405 550 H HN 0.160 nan 8.280 nan 0.000 0.502 551 A N 2.159 124.908 122.820 -0.118 0.000 2.172 551 A HA -0.077 3.611 4.320 -1.053 0.000 0.216 551 A C 1.160 178.580 177.584 -0.274 0.000 1.154 551 A CA 0.739 52.625 52.037 -0.250 0.000 0.701 551 A CB -0.489 18.316 19.000 -0.325 0.000 0.789 551 A HN 0.377 nan 8.150 nan 0.000 0.465 552 F N 0.217 120.180 119.950 0.021 0.000 2.569 552 F HA 0.084 3.976 4.527 -1.060 0.000 0.295 552 F C 1.587 177.396 175.800 0.015 0.000 1.115 552 F CA 0.484 58.517 58.000 0.055 0.000 1.450 552 F CB -0.094 38.964 39.000 0.097 0.000 1.107 552 F HN 0.437 nan 8.300 nan 0.000 0.563 553 Q N 0.648 120.535 119.800 0.145 0.000 2.199 553 Q HA 0.642 4.351 4.340 -1.053 0.000 0.232 553 Q C -0.233 175.795 176.000 0.047 0.000 0.969 553 Q CA -0.926 54.911 55.803 0.056 0.000 0.925 553 Q CB 1.201 29.960 28.738 0.035 0.000 1.198 553 Q HN 0.066 nan 8.270 nan 0.000 0.494 554 A N 2.143 124.985 122.820 0.036 0.000 2.484 554 A HA 0.210 3.899 4.320 -1.053 0.000 0.268 554 A C -0.898 176.720 177.584 0.058 0.000 1.114 554 A CA -0.325 51.746 52.037 0.058 0.000 0.780 554 A CB -0.797 18.236 19.000 0.055 0.000 1.061 554 A HN 0.751 nan 8.150 nan 0.000 0.505 555 N N 2.436 121.179 118.700 0.072 0.000 2.342 555 N HA 0.322 4.430 4.740 -1.053 0.000 0.293 555 N C -1.091 174.566 175.510 0.245 0.000 1.026 555 N CA -0.687 52.406 53.050 0.072 0.000 0.857 555 N CB 1.341 39.744 38.487 -0.139 0.000 1.256 555 N HN 0.633 nan 8.380 nan 0.000 0.484 556 N N 1.543 120.388 118.700 0.241 0.000 2.438 556 N HA 0.112 4.220 4.740 -1.053 0.000 0.282 556 N C -1.260 174.438 175.510 0.312 0.000 1.037 556 N CA -0.274 52.930 53.050 0.257 0.000 0.942 556 N CB 1.268 39.860 38.487 0.175 0.000 1.136 556 N HN 0.524 nan 8.380 nan 0.000 0.481 557 Y N 4.025 124.324 120.300 -0.002 0.000 2.308 557 Y HA 0.310 4.228 4.550 -1.055 0.000 0.329 557 Y C -1.114 174.714 175.900 -0.120 0.000 1.111 557 Y CA -1.289 56.605 58.100 -0.343 0.000 1.179 557 Y CB 1.092 38.943 38.460 -1.015 0.000 1.201 557 Y HN 0.480 nan 8.280 nan 0.000 0.483 558 P HA -0.026 nan 4.420 nan 0.000 0.252 558 P C 0.914 178.038 177.300 -0.295 0.000 1.218 558 P CA 0.815 63.174 63.100 -1.235 0.000 0.807 558 P CB 0.234 31.165 31.700 -1.282 0.000 1.072 559 H N 2.205 121.168 119.070 -0.179 0.000 2.292 559 H HA -0.163 3.763 4.556 -1.051 0.000 0.292 559 H C 1.099 176.435 175.328 0.013 0.000 1.100 559 H CA 2.352 58.366 56.048 -0.057 0.000 1.238 559 H CB -0.467 29.279 29.762 -0.028 0.000 1.355 559 H HN 0.004 nan 8.280 nan 0.000 0.484 560 D N -0.720 119.629 120.400 -0.085 0.000 2.340 560 D HA -0.009 3.999 4.640 -1.053 0.000 0.220 560 D C -0.416 175.780 176.300 -0.173 0.000 1.039 560 D CA 0.186 54.066 54.000 -0.199 0.000 0.866 560 D CB -0.118 40.605 40.800 -0.128 0.000 0.913 560 D HN 0.198 nan 8.370 nan 0.000 0.523 561 F N 1.173 121.020 119.950 -0.172 0.000 2.410 561 F HA 0.225 4.122 4.527 -1.050 0.000 0.349 561 F C 0.750 176.500 175.800 -0.083 0.000 1.117 561 F CA -1.282 56.661 58.000 -0.095 0.000 1.104 561 F CB 1.195 40.194 39.000 -0.001 0.000 1.122 561 F HN -0.315 nan 8.300 nan 0.000 0.483 562 V N -0.465 119.475 119.914 0.043 0.000 3.096 562 V HA 0.591 4.079 4.120 -1.053 0.000 0.319 562 V C -0.592 175.544 176.094 0.070 0.000 1.103 562 V CA -1.025 61.290 62.300 0.024 0.000 1.016 562 V CB 1.799 33.596 31.823 -0.043 0.000 1.090 562 V HN 0.646 nan 8.190 nan 0.000 0.449 563 D N 0.254 120.686 120.400 0.054 0.000 2.345 563 D HA 0.197 4.205 4.640 -1.053 0.000 0.247 563 D C 0.910 177.233 176.300 0.038 0.000 1.108 563 D CA 0.042 54.081 54.000 0.064 0.000 0.894 563 D CB 1.414 42.245 40.800 0.051 0.000 1.203 563 D HN 0.694 nan 8.370 nan 0.000 0.430 564 c N 1.964 120.592 118.600 0.046 0.000 2.399 564 c HA -0.107 3.832 4.570 -1.053 0.000 0.296 564 c C 2.403 176.496 174.090 0.005 0.000 1.415 564 c CA 0.761 57.103 56.329 0.021 0.000 1.798 564 c CB -1.399 41.126 42.510 0.025 0.000 1.802 564 c HN 0.624 nan 8.230 nan 0.000 0.549 565 S N -0.815 114.890 115.700 0.009 0.000 2.414 565 S HA -0.115 3.724 4.470 -1.053 0.000 0.227 565 S C 1.821 176.418 174.600 -0.006 0.000 1.022 565 S CA 1.200 59.401 58.200 0.001 0.000 0.958 565 S CB -0.278 62.926 63.200 0.006 0.000 0.797 565 S HN 0.680 nan 8.310 nan 0.000 0.493 566 T N 1.994 116.543 114.554 -0.009 0.000 3.118 566 T HA 0.133 3.852 4.350 -1.053 0.000 0.260 566 T C 0.309 174.991 174.700 -0.029 0.000 1.139 566 T CA 0.329 62.418 62.100 -0.018 0.000 1.085 566 T CB -0.049 68.806 68.868 -0.023 0.000 0.934 566 T HN 0.058 nan 8.240 nan 0.000 0.518 567 V N 2.792 122.689 119.914 -0.029 0.000 2.383 567 V HA 0.240 3.728 4.120 -1.053 0.000 0.275 567 V C -0.141 175.937 176.094 -0.027 0.000 1.036 567 V CA -1.323 60.956 62.300 -0.036 0.000 0.889 567 V CB 1.185 32.984 31.823 -0.041 0.000 0.985 567 V HN 0.246 nan 8.190 nan 0.000 0.459 568 D N 3.993 124.379 120.400 -0.023 0.000 2.548 568 D HA 0.075 4.083 4.640 -1.053 0.000 0.231 568 D C 0.240 176.526 176.300 -0.023 0.000 1.142 568 D CA 0.867 54.856 54.000 -0.019 0.000 0.866 568 D CB 0.514 41.306 40.800 -0.014 0.000 1.190 568 D HN 0.462 nan 8.370 nan 0.000 0.469 569 K N 0.923 121.305 120.400 -0.030 0.000 2.123 569 K HA 0.408 4.096 4.320 -1.053 0.000 0.248 569 K C -0.541 176.024 176.600 -0.057 0.000 0.969 569 K CA -1.194 55.068 56.287 -0.040 0.000 0.882 569 K CB 1.571 34.048 32.500 -0.040 0.000 1.080 569 K HN 0.217 nan 8.250 nan 0.000 0.441 570 L N 2.682 123.860 121.223 -0.075 0.000 2.363 570 L HA 0.113 3.821 4.340 -1.053 0.000 0.286 570 L C -0.611 176.192 176.870 -0.111 0.000 1.106 570 L CA 0.022 54.783 54.840 -0.132 0.000 0.859 570 L CB -0.163 41.810 42.059 -0.143 0.000 1.223 570 L HN 0.430 nan 8.230 nan 0.000 0.446 571 D N 4.105 124.464 120.400 -0.068 0.000 2.359 571 D HA 0.051 4.060 4.640 -1.053 0.000 0.250 571 D C 0.826 177.154 176.300 0.046 0.000 1.264 571 D CA 0.268 54.262 54.000 -0.010 0.000 0.911 571 D CB 0.467 41.278 40.800 0.017 0.000 1.056 571 D HN 0.659 nan 8.370 nan 0.000 0.499 572 L N 2.862 124.083 121.223 -0.003 0.000 2.627 572 L HA -0.020 3.688 4.340 -1.053 0.000 0.233 572 L C 2.238 179.268 176.870 0.266 0.000 1.144 572 L CA 0.127 54.985 54.840 0.029 0.000 0.892 572 L CB -0.404 41.557 42.059 -0.163 0.000 1.039 572 L HN 0.434 nan 8.230 nan 0.000 0.442 573 S N 0.224 116.038 115.700 0.191 0.000 2.370 573 S HA -0.105 3.733 4.470 -1.053 0.000 0.226 573 S C -0.498 174.224 174.600 0.203 0.000 1.033 573 S CA 0.751 59.044 58.200 0.155 0.000 1.011 573 S CB -1.633 61.617 63.200 0.084 0.000 0.852 573 S HN 0.246 nan 8.310 nan 0.000 0.457 574 P HA -0.020 nan 4.420 nan 0.000 0.231 574 P C 0.508 177.809 177.300 0.002 0.000 1.158 574 P CA 0.778 63.914 63.100 0.061 0.000 0.763 574 P CB -0.235 31.416 31.700 -0.081 0.000 0.805 575 W N -0.726 120.618 121.300 0.073 0.000 3.278 575 W HA 0.404 4.456 4.660 -1.014 0.000 0.308 575 W C 0.431 176.978 176.519 0.047 0.000 1.253 575 W CA -0.539 56.886 57.345 0.133 0.000 1.759 575 W CB 0.094 29.654 29.460 0.166 0.000 1.093 575 W HN -0.136 nan 8.180 nan 0.000 0.648 576 A N 1.146 124.061 122.820 0.159 0.000 2.450 576 A HA 0.273 3.961 4.320 -1.053 0.000 0.255 576 A C 0.191 177.803 177.584 0.047 0.000 1.096 576 A CA 0.409 52.463 52.037 0.028 0.000 0.778 576 A CB 0.548 19.565 19.000 0.028 0.000 1.031 576 A HN -0.033 nan 8.150 nan 0.000 0.494 577 S N 2.491 118.202 115.700 0.019 0.000 2.566 577 S HA 0.419 4.258 4.470 -1.053 0.000 0.324 577 S C -0.107 174.572 174.600 0.132 0.000 1.081 577 S CA -0.708 57.577 58.200 0.141 0.000 1.105 577 S CB 0.071 63.453 63.200 0.303 0.000 0.981 577 S HN 0.698 nan 8.310 nan 0.000 0.464 578 R N 3.350 123.894 120.500 0.073 0.000 2.357 578 R HA 0.259 3.968 4.340 -1.053 0.000 0.296 578 R C 1.059 177.366 176.300 0.011 0.000 1.052 578 R CA -0.734 55.377 56.100 0.018 0.000 0.988 578 R CB 0.775 31.081 30.300 0.010 0.000 1.025 578 R HN 0.690 nan 8.270 nan 0.000 0.469 579 E N 2.783 122.953 120.200 -0.049 0.000 1.964 579 E HA -0.129 3.590 4.350 -1.053 0.000 0.203 579 E C 0.313 176.907 176.600 -0.011 0.000 0.952 579 E CA 0.692 57.066 56.400 -0.044 0.000 0.892 579 E CB -0.540 29.101 29.700 -0.099 0.000 0.831 579 E HN 0.522 nan 8.360 nan 0.000 0.548 580 N N 0.000 118.688 118.700 -0.020 0.000 1.763 580 N HA 0.000 4.108 4.740 -1.053 0.000 0.220 580 N CA 0.000 53.045 53.050 -0.008 0.000 0.885 580 N CB 0.000 38.479 38.487 -0.013 0.000 1.341 580 N HN 0.000 nan 8.380 nan 0.000 0.667