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 2vz2_1_A DATA FIRST_RESID 3 DATA SEQUENCE NKCDVVVVGG GISGMAAAKL LHDSGLNVVV LEARDRVGGR TYTLRNQKVK DATA SEQUENCE YVDLGGSYVG PTQNRILRLA KELGLETYKV NEVERLIHHV KGKSYPFRGP DATA SEQUENCE FPPVWNPITY LDHNNFWRTM DDMGREIPSD APWKAPLAEE WDNMTMKELL DATA SEQUENCE DKLCWTESAK QLATLFVNLC VTAETHEVSA LWFLWYVKQC GGTTRIISTT DATA SEQUENCE NGGQERKFVG GSGQVSERIM DLLGDRVKLE RPVIYIDQTR ENVLVETLNH DATA SEQUENCE EMYEAKYVIS AIPPTLGMKI HFNPPLPMMR NQMITRVPLG SVIKCIVYYK DATA SEQUENCE EPFWRKKDYC GTMIIDGEEA PVAYTLDDTK PEGNYAAIMG FILAHKARKL DATA SEQUENCE ARLTKEERLK KLCELYAKVL GSLEALEPVH YEEKNWCEEQ YSGGCYTTYF DATA SEQUENCE PPGILTQYGR VLRQPVDRIY FAGTETATHW SGYMEGAVEA GERAAREILH DATA SEQUENCE AMGKIPEDEI WQSEPESVDV PAQPITTTFL ERHLPSVPGL LRLIGLTTI VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 N HA 0.000 nan 4.740 nan 0.000 0.220 3 N C 0.000 175.528 175.510 0.030 0.000 1.280 3 N CA 0.000 52.975 53.050 -0.124 0.000 0.885 3 N CB 0.000 38.426 38.487 -0.102 0.000 1.341 4 K N 1.793 122.209 120.400 0.027 0.000 2.276 4 K HA 0.457 4.777 4.320 -0.000 0.000 0.283 4 K C 0.259 176.898 176.600 0.064 0.000 1.044 4 K CA -0.182 56.131 56.287 0.043 0.000 0.944 4 K CB 1.140 33.652 32.500 0.021 0.000 1.012 4 K HN 0.626 nan 8.250 nan 0.000 0.472 5 C N -0.812 118.529 119.300 0.069 0.000 3.314 5 C HA 0.371 4.831 4.460 -0.000 0.000 0.344 5 C C 0.793 175.819 174.990 0.061 0.000 1.461 5 C CA -0.814 58.245 59.018 0.068 0.000 1.249 5 C CB 0.972 28.763 27.740 0.085 0.000 1.632 5 C HN 0.779 nan 8.230 nan 0.000 0.452 6 D N 0.265 120.705 120.400 0.067 0.000 2.149 6 D HA 0.127 4.767 4.640 -0.000 0.000 0.206 6 D C 0.318 176.688 176.300 0.118 0.000 0.967 6 D CA 1.685 55.737 54.000 0.087 0.000 0.848 6 D CB 0.256 41.105 40.800 0.083 0.000 0.998 6 D HN 0.481 nan 8.370 nan 0.000 0.474 7 V N 1.540 121.510 119.914 0.092 0.000 2.623 7 V HA 0.242 4.362 4.120 -0.000 0.000 0.304 7 V C -0.155 175.968 176.094 0.049 0.000 1.054 7 V CA -0.829 61.526 62.300 0.091 0.000 0.882 7 V CB 2.752 34.616 31.823 0.068 0.000 1.002 7 V HN -0.239 nan 8.190 nan 0.000 0.424 8 V N 5.433 125.372 119.914 0.040 0.000 2.407 8 V HA 0.394 4.514 4.120 -0.000 0.000 0.278 8 V C -0.037 176.048 176.094 -0.015 0.000 1.037 8 V CA -0.381 61.913 62.300 -0.010 0.000 0.900 8 V CB 1.805 33.617 31.823 -0.019 0.000 0.983 8 V HN 0.639 nan 8.190 nan 0.000 0.459 9 V N 6.215 126.105 119.914 -0.040 0.000 2.370 9 V HA 0.347 4.467 4.120 -0.000 0.000 0.279 9 V C -0.009 176.057 176.094 -0.046 0.000 1.029 9 V CA -0.600 61.683 62.300 -0.029 0.000 0.870 9 V CB 1.716 33.525 31.823 -0.023 0.000 0.984 9 V HN 0.588 nan 8.190 nan 0.000 0.451 10 V N 4.475 124.377 119.914 -0.020 0.000 2.348 10 V HA 0.826 4.946 4.120 -0.000 0.000 0.270 10 V C 0.666 176.764 176.094 0.008 0.000 1.037 10 V CA 0.393 62.683 62.300 -0.018 0.000 0.872 10 V CB 0.506 32.335 31.823 0.010 0.000 1.002 10 V HN 1.281 nan 8.190 nan 0.000 0.464 11 G N 3.611 112.403 108.800 -0.015 0.000 3.367 11 G HA2 0.193 4.153 3.960 -0.000 0.000 0.686 11 G HA3 0.193 4.153 3.960 -0.000 0.000 0.686 11 G C 0.064 174.963 174.900 -0.002 0.000 1.146 11 G CA -0.495 44.608 45.100 0.006 0.000 0.913 11 G HN 1.214 nan 8.290 nan 0.000 0.554 12 G N 0.775 109.571 108.800 -0.007 0.000 4.291 12 G HA2 0.685 4.645 3.960 -0.000 0.000 0.304 12 G HA3 0.685 4.645 3.960 -0.000 0.000 0.304 12 G C 0.852 175.764 174.900 0.019 0.000 1.264 12 G CA 0.921 46.018 45.100 -0.006 0.000 1.039 12 G HN 1.278 nan 8.290 nan 0.000 0.578 13 G N -0.157 108.666 108.800 0.038 0.000 2.525 13 G HA2 0.369 4.329 3.960 -0.000 0.000 0.287 13 G HA3 0.369 4.329 3.960 -0.000 0.000 0.287 13 G C 1.162 176.086 174.900 0.040 0.000 1.350 13 G CA -0.766 44.366 45.100 0.054 0.000 1.039 13 G HN 0.126 nan 8.290 nan 0.000 0.513 14 I N -0.542 120.055 120.570 0.045 0.000 2.208 14 I HA -0.212 3.958 4.170 -0.000 0.000 0.245 14 I C 3.025 179.163 176.117 0.036 0.000 1.097 14 I CA 1.615 62.934 61.300 0.032 0.000 1.363 14 I CB -0.078 37.944 38.000 0.037 0.000 1.051 14 I HN 0.469 nan 8.210 nan 0.000 0.413 15 S N 0.502 116.236 115.700 0.056 0.000 2.356 15 S HA -0.127 4.343 4.470 -0.000 0.000 0.223 15 S C 2.083 176.708 174.600 0.041 0.000 1.032 15 S CA 1.648 59.884 58.200 0.060 0.000 1.005 15 S CB -0.548 62.706 63.200 0.090 0.000 0.867 15 S HN 0.572 nan 8.310 nan 0.000 0.449 16 G N 1.107 109.930 108.800 0.039 0.000 2.408 16 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.217 16 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.217 16 G C 1.424 176.326 174.900 0.003 0.000 1.150 16 G CA 0.739 45.851 45.100 0.021 0.000 0.776 16 G HN 0.399 nan 8.290 nan 0.000 0.542 17 M N 1.141 120.741 119.600 0.001 0.000 2.200 17 M HA 0.161 4.641 4.480 -0.000 0.000 0.265 17 M C 2.969 179.261 176.300 -0.013 0.000 1.066 17 M CA 1.048 56.339 55.300 -0.014 0.000 1.127 17 M CB -1.176 31.413 32.600 -0.018 0.000 1.379 17 M HN 0.298 nan 8.290 nan 0.000 0.420 18 A N 0.370 123.188 122.820 -0.004 0.000 1.902 18 A HA 0.020 4.340 4.320 -0.000 0.000 0.217 18 A C 2.451 180.032 177.584 -0.005 0.000 1.181 18 A CA 2.033 54.068 52.037 -0.003 0.000 0.623 18 A CB -0.844 18.159 19.000 0.006 0.000 0.818 18 A HN 0.453 nan 8.150 nan 0.000 0.443 19 A N -0.065 122.752 122.820 -0.005 0.000 1.858 19 A HA 0.168 4.488 4.320 -0.000 0.000 0.216 19 A C 2.533 180.111 177.584 -0.010 0.000 1.190 19 A CA 2.145 54.174 52.037 -0.014 0.000 0.617 19 A CB -1.114 17.879 19.000 -0.011 0.000 0.827 19 A HN 1.069 nan 8.150 nan 0.000 0.443 20 A N -0.397 122.419 122.820 -0.006 0.000 1.933 20 A HA -0.168 4.152 4.320 -0.000 0.000 0.218 20 A C 2.151 179.750 177.584 0.026 0.000 1.175 20 A CA 1.994 54.032 52.037 0.001 0.000 0.628 20 A CB -0.462 18.526 19.000 -0.020 0.000 0.814 20 A HN 0.553 nan 8.150 nan 0.000 0.444 21 K N -0.428 119.979 120.400 0.011 0.000 2.026 21 K HA -0.109 4.211 4.320 -0.000 0.000 0.208 21 K C 2.012 178.653 176.600 0.068 0.000 1.048 21 K CA 1.531 57.840 56.287 0.036 0.000 0.929 21 K CB -0.313 32.191 32.500 0.006 0.000 0.713 21 K HN 0.482 nan 8.250 nan 0.000 0.439 22 L N 1.196 122.436 121.223 0.027 0.000 2.017 22 L HA -0.195 4.145 4.340 -0.000 0.000 0.208 22 L C 2.240 179.115 176.870 0.009 0.000 1.073 22 L CA 1.213 56.058 54.840 0.009 0.000 0.745 22 L CB -0.172 41.877 42.059 -0.017 0.000 0.894 22 L HN 0.243 nan 8.230 nan 0.000 0.432 23 L N -1.046 120.183 121.223 0.011 0.000 2.083 23 L HA -0.266 4.074 4.340 -0.000 0.000 0.209 23 L C 2.581 179.471 176.870 0.033 0.000 1.083 23 L CA 1.408 56.250 54.840 0.004 0.000 0.752 23 L CB -0.809 41.249 42.059 -0.001 0.000 0.899 23 L HN 0.414 nan 8.230 nan 0.000 0.433 24 H N 0.312 119.369 119.070 -0.022 0.000 2.353 24 H HA -0.182 4.374 4.556 -0.000 0.000 0.300 24 H C 1.752 177.071 175.328 -0.015 0.000 1.090 24 H CA 1.942 57.981 56.048 -0.016 0.000 1.327 24 H CB 0.045 29.798 29.762 -0.015 0.000 1.383 24 H HN 0.207 nan 8.280 nan 0.000 0.508 25 D N -0.689 119.705 120.400 -0.010 0.000 2.264 25 D HA -0.067 4.573 4.640 -0.000 0.000 0.208 25 D C 1.559 177.810 176.300 -0.082 0.000 0.966 25 D CA 1.041 55.005 54.000 -0.060 0.000 0.864 25 D CB -0.114 40.690 40.800 0.008 0.000 0.933 25 D HN 0.308 nan 8.370 nan 0.000 0.499 26 S N -1.040 114.619 115.700 -0.067 0.000 2.593 26 S HA 0.300 4.770 4.470 -0.000 0.000 0.217 26 S C 1.513 176.070 174.600 -0.072 0.000 0.966 26 S CA 0.445 58.609 58.200 -0.060 0.000 0.914 26 S CB 0.698 63.870 63.200 -0.046 0.000 0.776 26 S HN 0.415 nan 8.310 nan 0.000 0.523 27 G N 1.218 109.949 108.800 -0.115 0.000 2.141 27 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.231 27 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.231 27 G C -0.039 174.818 174.900 -0.072 0.000 0.984 27 G CA -0.297 44.736 45.100 -0.111 0.000 0.660 27 G HN 0.435 nan 8.290 nan 0.000 0.525 28 L N 0.236 121.429 121.223 -0.050 0.000 2.379 28 L HA 0.430 4.770 4.340 -0.000 0.000 0.269 28 L C 0.575 177.462 176.870 0.027 0.000 1.084 28 L CA -1.045 53.792 54.840 -0.005 0.000 0.802 28 L CB 0.990 43.053 42.059 0.006 0.000 1.175 28 L HN 0.136 nan 8.230 nan 0.000 0.448 29 N N 2.031 120.757 118.700 0.042 0.000 2.415 29 N HA 0.296 5.036 4.740 -0.000 0.000 0.246 29 N C -0.968 174.585 175.510 0.070 0.000 1.078 29 N CA -0.306 52.783 53.050 0.065 0.000 0.942 29 N CB 0.706 39.225 38.487 0.055 0.000 1.140 29 N HN 0.384 nan 8.380 nan 0.000 0.501 30 V N 1.316 121.279 119.914 0.083 0.000 2.815 30 V HA 0.800 4.920 4.120 -0.000 0.000 0.314 30 V C -0.390 175.723 176.094 0.031 0.000 1.064 30 V CA -0.782 61.551 62.300 0.055 0.000 0.952 30 V CB 1.781 33.635 31.823 0.052 0.000 1.020 30 V HN 0.171 nan 8.190 nan 0.000 0.439 31 V N 3.354 123.268 119.914 -0.001 0.000 2.709 31 V HA 0.547 4.667 4.120 -0.000 0.000 0.308 31 V C -0.499 175.537 176.094 -0.096 0.000 1.062 31 V CA -0.478 61.793 62.300 -0.048 0.000 0.901 31 V CB 2.260 34.051 31.823 -0.053 0.000 1.003 31 V HN 0.861 nan 8.190 nan 0.000 0.425 32 V N 6.215 126.064 119.914 -0.108 0.000 2.370 32 V HA 0.474 4.594 4.120 -0.000 0.000 0.283 32 V C -0.252 175.744 176.094 -0.162 0.000 1.023 32 V CA -0.474 61.759 62.300 -0.111 0.000 0.857 32 V CB 1.553 33.331 31.823 -0.075 0.000 0.985 32 V HN 0.608 nan 8.190 nan 0.000 0.443 33 L N 4.540 125.652 121.223 -0.186 0.000 2.264 33 L HA 0.574 4.914 4.340 -0.000 0.000 0.287 33 L C -0.154 176.632 176.870 -0.140 0.000 1.039 33 L CA -0.356 54.357 54.840 -0.211 0.000 0.829 33 L CB 1.351 43.244 42.059 -0.278 0.000 1.211 33 L HN 0.626 nan 8.230 nan 0.000 0.427 34 E N 2.351 122.474 120.200 -0.127 0.000 2.158 34 E HA 0.469 4.819 4.350 -0.000 0.000 0.271 34 E C 0.463 176.961 176.600 -0.171 0.000 0.911 34 E CA -0.274 56.053 56.400 -0.120 0.000 0.767 34 E CB 2.035 31.686 29.700 -0.082 0.000 1.120 34 E HN 0.550 nan 8.360 nan 0.000 0.405 35 A N 5.520 128.178 122.820 -0.270 0.000 1.908 35 A HA -0.088 4.232 4.320 -0.000 0.000 0.218 35 A C 1.110 178.472 177.584 -0.370 0.000 1.181 35 A CA 1.145 52.889 52.037 -0.487 0.000 0.627 35 A CB -0.226 18.103 19.000 -1.118 0.000 0.818 35 A HN 0.623 nan 8.150 nan 0.000 0.445 36 R N -0.358 120.000 120.500 -0.237 0.000 2.541 36 R HA 0.269 4.609 4.340 -0.000 0.000 0.263 36 R C 0.161 176.420 176.300 -0.069 0.000 1.112 36 R CA 0.152 56.184 56.100 -0.112 0.000 1.170 36 R CB 0.117 30.388 30.300 -0.048 0.000 1.167 36 R HN 0.467 nan 8.270 nan 0.000 0.582 37 D N 0.067 120.445 120.400 -0.037 0.000 2.323 37 D HA -0.020 4.620 4.640 -0.000 0.000 0.239 37 D C -0.164 176.134 176.300 -0.004 0.000 1.129 37 D CA 0.021 54.009 54.000 -0.020 0.000 0.865 37 D CB -0.053 40.742 40.800 -0.010 0.000 0.913 37 D HN 0.413 nan 8.370 nan 0.000 0.517 38 R N -1.311 119.187 120.500 -0.003 0.000 2.710 38 R HA 0.592 4.932 4.340 -0.000 0.000 0.270 38 R C -0.793 175.521 176.300 0.025 0.000 1.021 38 R CA -1.140 54.976 56.100 0.026 0.000 0.889 38 R CB 1.123 31.461 30.300 0.064 0.000 1.243 38 R HN -0.087 nan 8.270 nan 0.000 0.464 39 V N -1.496 118.441 119.914 0.039 0.000 3.109 39 V HA 0.869 4.989 4.120 -0.000 0.000 0.317 39 V C 0.940 177.084 176.094 0.083 0.000 1.074 39 V CA 0.419 62.742 62.300 0.039 0.000 1.033 39 V CB 0.809 32.641 31.823 0.015 0.000 1.111 39 V HN 1.195 nan 8.190 nan 0.000 0.458 40 G N -0.717 108.131 108.800 0.081 0.000 2.339 40 G HA2 0.138 4.098 3.960 -0.000 0.000 0.209 40 G HA3 0.138 4.098 3.960 -0.000 0.000 0.209 40 G C 1.602 176.585 174.900 0.139 0.000 1.015 40 G CA 0.793 45.961 45.100 0.114 0.000 0.635 40 G HN 2.585 nan 8.290 nan 0.000 0.499 41 G N 0.607 109.500 108.800 0.156 0.000 2.677 41 G HA2 -0.425 3.535 3.960 -0.000 0.000 0.321 41 G HA3 -0.425 3.535 3.960 -0.000 0.000 0.321 41 G C 1.002 176.065 174.900 0.271 0.000 1.181 41 G CA 1.560 46.771 45.100 0.185 0.000 0.965 41 G HN 1.183 nan 8.290 nan 0.000 0.548 42 R N 1.877 122.445 120.500 0.114 0.000 2.313 42 R HA 0.234 4.574 4.340 -0.000 0.000 0.199 42 R C 0.969 177.174 176.300 -0.159 0.000 0.958 42 R CA 1.027 57.019 56.100 -0.181 0.000 1.047 42 R CB -0.059 30.096 30.300 -0.240 0.000 0.955 42 R HN 0.697 nan 8.270 nan 0.000 0.481 43 T N -2.335 112.277 114.554 0.097 0.000 2.824 43 T HA 0.387 4.737 4.350 -0.000 0.000 0.280 43 T C -0.960 173.965 174.700 0.375 0.000 0.995 43 T CA -0.640 61.564 62.100 0.173 0.000 1.009 43 T CB 1.610 70.542 68.868 0.107 0.000 0.955 43 T HN 0.098 nan 8.240 nan 0.000 0.452 44 Y N 1.159 121.603 120.300 0.240 0.000 2.348 44 Y HA 0.432 4.982 4.550 0.000 0.000 0.321 44 Y C -1.274 174.736 175.900 0.183 0.000 1.163 44 Y CA -0.829 57.411 58.100 0.233 0.000 1.070 44 Y CB 1.617 40.276 38.460 0.330 0.000 1.250 44 Y HN 0.871 nan 8.280 nan 0.000 0.425 45 T N 7.859 122.231 114.554 -0.304 0.000 2.801 45 T HA 0.352 4.702 4.350 -0.000 0.000 0.306 45 T C -0.815 173.560 174.700 -0.542 0.000 1.020 45 T CA -0.412 61.509 62.100 -0.297 0.000 0.948 45 T CB 0.490 69.302 68.868 -0.094 0.000 0.962 45 T HN 0.572 nan 8.240 nan 0.000 0.465 46 L N 4.667 125.573 121.223 -0.529 0.000 2.360 46 L HA 0.487 4.827 4.340 -0.000 0.000 0.276 46 L C -0.078 176.720 176.870 -0.119 0.000 1.121 46 L CA 0.119 54.752 54.840 -0.344 0.000 0.845 46 L CB 0.188 42.129 42.059 -0.196 0.000 1.143 46 L HN 0.462 nan 8.230 nan 0.000 0.452 47 R N 3.801 124.256 120.500 -0.075 0.000 2.387 47 R HA 0.620 4.960 4.340 -0.000 0.000 0.314 47 R C -0.918 175.362 176.300 -0.033 0.000 0.958 47 R CA -0.532 55.550 56.100 -0.030 0.000 0.846 47 R CB 1.220 31.515 30.300 -0.009 0.000 1.147 47 R HN 0.881 nan 8.270 nan 0.000 0.447 48 N N -0.749 117.917 118.700 -0.057 0.000 3.039 48 N HA 0.100 4.840 4.740 -0.000 0.000 0.257 48 N C -0.118 175.341 175.510 -0.086 0.000 1.497 48 N CA -0.869 52.145 53.050 -0.059 0.000 0.861 48 N CB 0.698 39.153 38.487 -0.053 0.000 1.479 48 N HN 0.116 nan 8.380 nan 0.000 0.547 49 Q N -0.264 119.494 119.800 -0.071 0.000 2.230 49 Q HA 0.080 4.420 4.340 -0.000 0.000 0.202 49 Q C 0.708 176.674 176.000 -0.057 0.000 0.963 49 Q CA 1.055 56.832 55.803 -0.043 0.000 0.866 49 Q CB -0.108 28.614 28.738 -0.026 0.000 0.931 49 Q HN 0.532 nan 8.270 nan 0.000 0.452 50 K N 0.514 120.789 120.400 -0.209 0.000 2.155 50 K HA -0.044 4.276 4.320 -0.000 0.000 0.203 50 K C 2.011 178.407 176.600 -0.340 0.000 1.052 50 K CA 1.144 57.196 56.287 -0.391 0.000 0.948 50 K CB 0.097 32.013 32.500 -0.974 0.000 0.728 50 K HN 0.282 nan 8.250 nan 0.000 0.448 51 V N -3.162 116.535 119.914 -0.361 0.000 3.604 51 V HA 0.237 4.357 4.120 -0.000 0.000 0.277 51 V C 1.405 177.116 176.094 -0.639 0.000 1.399 51 V CA 0.678 62.726 62.300 -0.421 0.000 1.034 51 V CB 0.270 31.879 31.823 -0.356 0.000 0.824 51 V HN 0.244 nan 8.190 nan 0.000 0.439 52 K N 0.466 120.568 120.400 -0.497 0.000 10.392 52 K HA -0.306 4.014 4.320 -0.000 0.000 0.519 52 K C 0.156 176.652 176.600 -0.173 0.000 0.376 52 K CA 2.573 58.606 56.287 -0.423 0.000 1.951 52 K CB -1.426 30.610 32.500 -0.773 0.000 0.744 52 K HN 0.986 nan 8.250 nan 0.000 1.160 53 Y N -2.243 117.910 120.300 -0.246 0.000 2.581 53 Y HA 0.726 5.276 4.550 -0.000 0.000 0.337 53 Y C -1.277 174.577 175.900 -0.078 0.000 1.108 53 Y CA -0.702 57.315 58.100 -0.139 0.000 1.033 53 Y CB 1.970 40.365 38.460 -0.108 0.000 1.318 53 Y HN 0.017 nan 8.280 nan 0.000 0.459 54 V N 2.099 122.082 119.914 0.115 0.000 2.852 54 V HA 0.353 4.473 4.120 -0.000 0.000 0.300 54 V C -1.738 174.409 176.094 0.089 0.000 1.205 54 V CA -0.648 61.713 62.300 0.101 0.000 0.940 54 V CB 1.997 33.887 31.823 0.111 0.000 1.047 54 V HN 0.921 nan 8.190 nan 0.000 0.429 55 D N 5.793 126.258 120.400 0.109 0.000 2.325 55 D HA 0.320 4.960 4.640 -0.000 0.000 0.251 55 D C 0.869 177.251 176.300 0.136 0.000 1.196 55 D CA 0.145 54.199 54.000 0.088 0.000 0.866 55 D CB 1.891 42.720 40.800 0.048 0.000 1.101 55 D HN 0.522 nan 8.370 nan 0.000 0.476 56 L N 1.360 122.719 121.223 0.227 0.000 2.554 56 L HA 0.214 4.554 4.340 -0.000 0.000 0.225 56 L C 1.522 178.802 176.870 0.683 0.000 1.104 56 L CA 0.070 55.146 54.840 0.394 0.000 0.866 56 L CB 0.298 42.596 42.059 0.399 0.000 1.047 56 L HN 0.331 nan 8.230 nan 0.000 0.468 57 G N -0.689 108.441 108.800 0.550 0.000 3.247 57 G HA2 0.425 4.385 3.960 -0.000 0.000 0.163 57 G HA3 0.425 4.385 3.960 -0.000 0.000 0.163 57 G C -0.138 174.792 174.900 0.050 0.000 1.206 57 G CA -0.036 45.205 45.100 0.236 0.000 0.918 57 G HN 0.082 nan 8.290 nan 0.000 0.625 58 G N -0.710 108.041 108.800 -0.082 0.000 2.321 58 G HA2 0.367 4.327 3.960 -0.000 0.000 0.237 58 G HA3 0.367 4.327 3.960 -0.000 0.000 0.237 58 G C 0.511 175.374 174.900 -0.062 0.000 1.282 58 G CA 0.954 46.001 45.100 -0.089 0.000 0.886 58 G HN 0.852 nan 8.290 nan 0.000 0.528 59 S N 1.192 116.792 115.700 -0.167 0.000 3.364 59 S HA 0.182 4.652 4.470 -0.000 0.000 0.257 59 S C 0.057 174.415 174.600 -0.404 0.000 1.098 59 S CA -0.326 57.684 58.200 -0.317 0.000 0.888 59 S CB -0.046 62.800 63.200 -0.590 0.000 0.925 59 S HN 0.496 nan 8.310 nan 0.000 0.442 60 Y N 2.910 123.160 120.300 -0.083 0.000 2.309 60 Y HA 0.541 5.091 4.550 -0.000 0.000 0.327 60 Y C 0.238 176.007 175.900 -0.219 0.000 1.172 60 Y CA -0.486 57.518 58.100 -0.160 0.000 1.280 60 Y CB 1.116 39.524 38.460 -0.086 0.000 1.234 60 Y HN 0.115 nan 8.280 nan 0.000 0.512 61 V N -0.255 119.544 119.914 -0.192 0.000 2.962 61 V HA 1.088 5.208 4.120 -0.000 0.000 0.313 61 V C -0.330 175.583 176.094 -0.300 0.000 1.099 61 V CA -0.547 61.565 62.300 -0.313 0.000 0.971 61 V CB 1.601 33.156 31.823 -0.448 0.000 1.028 61 V HN 0.933 nan 8.190 nan 0.000 0.430 62 G N 1.088 109.664 108.800 -0.373 0.000 2.788 62 G HA2 0.785 4.745 3.960 -0.000 0.000 0.293 62 G HA3 0.785 4.745 3.960 -0.000 0.000 0.293 62 G C -3.334 171.412 174.900 -0.256 0.000 1.392 62 G CA -1.515 43.416 45.100 -0.281 0.000 0.810 62 G HN 0.711 nan 8.290 nan 0.000 0.508 63 P HA 0.087 nan 4.420 nan 0.000 0.266 63 P C 0.737 178.028 177.300 -0.016 0.000 1.193 63 P CA 1.879 64.942 63.100 -0.062 0.000 0.770 63 P CB 0.862 32.553 31.700 -0.015 0.000 0.836 64 T N -1.589 112.985 114.554 0.034 0.000 6.412 64 T HA -0.260 4.090 4.350 -0.000 0.000 0.279 64 T C 0.273 175.001 174.700 0.047 0.000 2.177 64 T CA 1.118 63.312 62.100 0.157 0.000 3.599 64 T CB -2.719 66.364 68.868 0.358 0.000 1.259 64 T HN 0.594 nan 8.240 nan 0.000 1.146 65 Q N 1.164 120.820 119.800 -0.240 0.000 3.135 65 Q HA 0.372 4.712 4.340 -0.000 0.000 0.344 65 Q C 0.903 176.805 176.000 -0.163 0.000 1.321 65 Q CA -0.496 55.062 55.803 -0.410 0.000 1.050 65 Q CB 0.240 28.545 28.738 -0.721 0.000 1.498 65 Q HN 0.482 nan 8.270 nan 0.000 0.503 66 N N 0.700 119.375 118.700 -0.042 0.000 2.331 66 N HA -0.068 4.672 4.740 -0.000 0.000 0.180 66 N C 1.233 176.753 175.510 0.015 0.000 1.019 66 N CA 0.828 53.880 53.050 0.003 0.000 0.881 66 N CB 0.266 38.779 38.487 0.043 0.000 0.972 66 N HN 0.360 nan 8.380 nan 0.000 0.435 67 R N 0.554 121.067 120.500 0.021 0.000 2.057 67 R HA 0.013 4.353 4.340 -0.000 0.000 0.229 67 R C 2.094 178.410 176.300 0.026 0.000 1.136 67 R CA 0.738 56.857 56.100 0.032 0.000 0.952 67 R CB -0.428 29.903 30.300 0.051 0.000 0.848 67 R HN 0.087 nan 8.270 nan 0.000 0.430 68 I N 1.240 121.821 120.570 0.019 0.000 2.264 68 I HA -0.231 3.939 4.170 -0.000 0.000 0.248 68 I C 1.786 177.967 176.117 0.107 0.000 1.111 68 I CA 1.494 62.829 61.300 0.058 0.000 1.382 68 I CB -0.052 37.991 38.000 0.072 0.000 1.060 68 I HN 0.122 nan 8.210 nan 0.000 0.418 69 L N 0.103 121.372 121.223 0.076 0.000 2.056 69 L HA -0.146 4.194 4.340 -0.000 0.000 0.207 69 L C 2.737 179.651 176.870 0.074 0.000 1.078 69 L CA 1.232 56.132 54.840 0.101 0.000 0.749 69 L CB -0.805 41.272 42.059 0.029 0.000 0.901 69 L HN 0.253 nan 8.230 nan 0.000 0.433 70 R N 0.743 121.268 120.500 0.041 0.000 2.075 70 R HA -0.177 4.163 4.340 -0.000 0.000 0.232 70 R C 2.270 178.579 176.300 0.015 0.000 1.126 70 R CA 1.551 57.668 56.100 0.027 0.000 0.963 70 R CB -0.575 29.739 30.300 0.023 0.000 0.858 70 R HN 0.257 nan 8.270 nan 0.000 0.435 71 L N 1.118 122.347 121.223 0.009 0.000 2.017 71 L HA -0.045 4.295 4.340 -0.000 0.000 0.208 71 L C 2.408 179.248 176.870 -0.050 0.000 1.073 71 L CA 2.308 57.138 54.840 -0.017 0.000 0.745 71 L CB -0.828 41.219 42.059 -0.019 0.000 0.894 71 L HN 0.217 nan 8.230 nan 0.000 0.432 72 A N -0.621 122.161 122.820 -0.063 0.000 1.902 72 A HA -0.251 4.069 4.320 -0.000 0.000 0.217 72 A C 2.472 180.013 177.584 -0.071 0.000 1.181 72 A CA 1.941 53.882 52.037 -0.159 0.000 0.623 72 A CB -0.656 18.185 19.000 -0.266 0.000 0.818 72 A HN 0.508 nan 8.150 nan 0.000 0.443 73 K N -0.319 120.084 120.400 0.005 0.000 2.057 73 K HA -0.197 4.123 4.320 -0.000 0.000 0.207 73 K C 2.051 178.647 176.600 -0.006 0.000 1.049 73 K CA 1.647 57.943 56.287 0.015 0.000 0.931 73 K CB -0.170 32.350 32.500 0.033 0.000 0.714 73 K HN 0.626 nan 8.250 nan 0.000 0.440 74 E N 0.490 120.683 120.200 -0.012 0.000 2.153 74 E HA -0.158 4.192 4.350 -0.000 0.000 0.194 74 E C 1.691 178.275 176.600 -0.027 0.000 0.988 74 E CA 0.788 57.179 56.400 -0.014 0.000 0.811 74 E CB 0.044 29.737 29.700 -0.010 0.000 0.746 74 E HN 0.345 nan 8.360 nan 0.000 0.466 75 L N -0.647 120.547 121.223 -0.048 0.000 2.599 75 L HA 0.131 4.471 4.340 -0.000 0.000 0.230 75 L C 1.336 178.169 176.870 -0.061 0.000 1.141 75 L CA 0.490 55.292 54.840 -0.063 0.000 0.877 75 L CB 0.181 42.181 42.059 -0.098 0.000 1.009 75 L HN 0.367 nan 8.230 nan 0.000 0.447 76 G N 0.088 108.861 108.800 -0.045 0.000 2.130 76 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.216 76 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.216 76 G C 0.100 174.979 174.900 -0.036 0.000 0.999 76 G CA -0.307 44.773 45.100 -0.033 0.000 0.686 76 G HN 0.186 nan 8.290 nan 0.000 0.515 77 L N -0.482 120.711 121.223 -0.050 0.000 2.431 77 L HA 0.823 5.163 4.340 -0.000 0.000 0.260 77 L C 0.543 177.451 176.870 0.063 0.000 1.098 77 L CA -0.744 54.071 54.840 -0.040 0.000 0.800 77 L CB 1.507 43.454 42.059 -0.186 0.000 1.210 77 L HN 0.304 nan 8.230 nan 0.000 0.465 78 E N -0.227 120.057 120.200 0.140 0.000 2.340 78 E HA 0.401 4.751 4.350 -0.000 0.000 0.273 78 E C -1.296 175.461 176.600 0.262 0.000 0.891 78 E CA -0.582 55.917 56.400 0.166 0.000 0.757 78 E CB 2.291 32.056 29.700 0.109 0.000 1.231 78 E HN 0.661 nan 8.360 nan 0.000 0.439 79 T N 0.120 114.778 114.554 0.174 0.000 2.940 79 T HA 0.643 4.993 4.350 -0.000 0.000 0.288 79 T C -0.770 174.017 174.700 0.145 0.000 1.033 79 T CA -0.574 61.569 62.100 0.071 0.000 1.033 79 T CB 0.823 69.612 68.868 -0.131 0.000 1.079 79 T HN 0.478 nan 8.240 nan 0.000 0.496 80 Y N -1.107 119.187 120.300 -0.011 0.000 2.581 80 Y HA 0.715 5.265 4.550 -0.000 0.000 0.345 80 Y C -0.668 175.231 175.900 -0.002 0.000 1.036 80 Y CA -1.497 56.609 58.100 0.010 0.000 1.042 80 Y CB 1.429 39.915 38.460 0.043 0.000 1.289 80 Y HN 0.645 nan 8.280 nan 0.000 0.471 81 K N 2.508 122.953 120.400 0.074 0.000 2.322 81 K HA 0.371 4.691 4.320 -0.000 0.000 0.283 81 K C -0.709 175.902 176.600 0.018 0.000 1.042 81 K CA -0.643 55.635 56.287 -0.015 0.000 0.958 81 K CB 1.404 33.922 32.500 0.031 0.000 0.984 81 K HN 0.593 nan 8.250 nan 0.000 0.473 82 V N 3.358 123.227 119.914 -0.076 0.000 2.694 82 V HA -0.120 4.000 4.120 -0.000 0.000 0.306 82 V C 0.607 176.727 176.094 0.043 0.000 1.054 82 V CA -0.079 62.225 62.300 0.006 0.000 1.161 82 V CB 0.280 32.088 31.823 -0.026 0.000 0.916 82 V HN 0.727 nan 8.190 nan 0.000 0.490 83 N N 3.800 122.552 118.700 0.087 0.000 2.427 83 N HA 0.022 4.762 4.740 -0.000 0.000 0.269 83 N C 0.249 175.772 175.510 0.021 0.000 1.235 83 N CA 0.484 53.577 53.050 0.072 0.000 0.934 83 N CB 0.234 38.789 38.487 0.115 0.000 1.121 83 N HN 0.817 nan 8.380 nan 0.000 0.480 84 E N 2.972 123.176 120.200 0.006 0.000 3.191 84 E HA 0.120 4.470 4.350 -0.000 0.000 0.192 84 E C 0.275 176.868 176.600 -0.011 0.000 0.972 84 E CA -0.077 56.310 56.400 -0.022 0.000 1.266 84 E CB 0.247 29.922 29.700 -0.043 0.000 1.076 84 E HN 0.429 nan 8.360 nan 0.000 0.462 85 V N 0.493 120.412 119.914 0.008 0.000 2.323 85 V HA -0.138 3.982 4.120 -0.000 0.000 0.244 85 V C 0.916 177.012 176.094 0.003 0.000 1.041 85 V CA 1.570 63.874 62.300 0.008 0.000 1.025 85 V CB -0.069 31.762 31.823 0.012 0.000 0.656 85 V HN 0.263 nan 8.190 nan 0.000 0.451 86 E N -0.733 119.474 120.200 0.012 0.000 3.099 86 E HA 0.397 4.747 4.350 -0.000 0.000 0.259 86 E C 0.192 176.795 176.600 0.005 0.000 1.274 86 E CA -0.671 55.738 56.400 0.016 0.000 1.111 86 E CB 0.239 29.959 29.700 0.034 0.000 1.327 86 E HN 0.289 nan 8.360 nan 0.000 0.652 87 R N 0.300 120.822 120.500 0.035 0.000 2.543 87 R HA 0.243 4.583 4.340 -0.000 0.000 0.277 87 R C -0.478 175.774 176.300 -0.080 0.000 1.074 87 R CA -0.504 55.596 56.100 0.000 0.000 1.076 87 R CB 0.040 30.403 30.300 0.106 0.000 0.993 87 R HN 0.166 nan 8.270 nan 0.000 0.459 88 L N 2.783 123.781 121.223 -0.376 0.000 2.456 88 L HA 0.374 4.714 4.340 -0.000 0.000 0.257 88 L C 0.309 176.912 176.870 -0.446 0.000 1.162 88 L CA 0.167 54.679 54.840 -0.547 0.000 0.808 88 L CB 0.383 41.855 42.059 -0.978 0.000 1.136 88 L HN 0.470 nan 8.230 nan 0.000 0.466 89 I N 0.270 120.716 120.570 -0.206 0.000 2.465 89 I HA 0.274 4.444 4.170 -0.000 0.000 0.291 89 I C -0.615 175.757 176.117 0.424 0.000 1.014 89 I CA -0.506 60.832 61.300 0.065 0.000 1.093 89 I CB 1.585 39.496 38.000 -0.148 0.000 1.267 89 I HN 0.555 nan 8.210 nan 0.000 0.431 90 H N 5.635 125.019 119.070 0.522 0.000 2.551 90 H HA 0.330 4.886 4.556 -0.000 0.000 0.321 90 H C -1.441 174.144 175.328 0.429 0.000 1.028 90 H CA -0.668 55.661 56.048 0.469 0.000 1.215 90 H CB 0.998 30.986 29.762 0.376 0.000 1.414 90 H HN 0.639 nan 8.280 nan 0.000 0.480 91 H N 4.513 123.648 119.070 0.109 0.000 2.551 91 H HA 0.436 4.992 4.556 -0.000 0.000 0.321 91 H C -1.567 173.721 175.328 -0.066 0.000 1.028 91 H CA -0.493 55.569 56.048 0.025 0.000 1.215 91 H CB 0.970 30.765 29.762 0.054 0.000 1.414 91 H HN 0.351 nan 8.280 nan 0.000 0.480 92 V N 6.051 125.777 119.914 -0.314 0.000 2.851 92 V HA 0.262 4.382 4.120 -0.000 0.000 0.307 92 V C -0.676 175.339 176.094 -0.132 0.000 1.129 92 V CA -0.799 61.394 62.300 -0.179 0.000 0.932 92 V CB 1.496 33.191 31.823 -0.214 0.000 1.024 92 V HN 1.070 nan 8.190 nan 0.000 0.426 93 K N 4.584 124.943 120.400 -0.067 0.000 3.117 93 K HA -0.187 4.133 4.320 -0.000 0.000 0.269 93 K C 0.878 177.427 176.600 -0.084 0.000 1.098 93 K CA 0.862 57.129 56.287 -0.032 0.000 0.785 93 K CB -1.528 30.979 32.500 0.012 0.000 1.242 93 K HN 2.006 nan 8.250 nan 0.000 0.491 94 G N 0.004 108.709 108.800 -0.158 0.000 2.168 94 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.257 94 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.257 94 G C -0.118 174.634 174.900 -0.247 0.000 0.997 94 G CA 1.097 46.146 45.100 -0.084 0.000 0.708 94 G HN 0.331 nan 8.290 nan 0.000 0.520 95 K N -0.070 119.996 120.400 -0.555 0.000 2.375 95 K HA 0.586 4.906 4.320 -0.000 0.000 0.249 95 K C -0.648 175.603 176.600 -0.581 0.000 0.942 95 K CA -0.585 55.439 56.287 -0.438 0.000 0.806 95 K CB 1.921 34.212 32.500 -0.348 0.000 1.227 95 K HN 0.083 nan 8.250 nan 0.000 0.430 96 S N 1.491 116.969 115.700 -0.370 0.000 2.489 96 S HA 0.472 4.942 4.470 -0.000 0.000 0.291 96 S C -1.287 173.064 174.600 -0.415 0.000 1.151 96 S CA -0.537 57.556 58.200 -0.178 0.000 1.082 96 S CB 0.358 63.584 63.200 0.043 0.000 1.019 96 S HN 0.346 nan 8.310 nan 0.000 0.492 97 Y N 2.132 122.524 120.300 0.154 0.000 2.363 97 Y HA 0.368 4.918 4.550 -0.000 0.000 0.325 97 Y C -2.544 173.567 175.900 0.352 0.000 0.984 97 Y CA -2.453 55.785 58.100 0.230 0.000 1.248 97 Y CB 0.868 39.463 38.460 0.225 0.000 1.116 97 Y HN 0.438 nan 8.280 nan 0.000 0.470 98 P HA 0.262 nan 4.420 nan 0.000 0.271 98 P C -0.836 176.745 177.300 0.467 0.000 1.218 98 P CA 0.000 63.322 63.100 0.369 0.000 0.780 98 P CB 0.618 32.530 31.700 0.353 0.000 0.901 99 F N -0.947 119.128 119.950 0.209 0.000 2.779 99 F HA 0.695 5.222 4.527 -0.000 0.000 0.316 99 F C -1.190 174.685 175.800 0.126 0.000 1.164 99 F CA -1.315 56.789 58.000 0.173 0.000 0.924 99 F CB 1.404 40.508 39.000 0.174 0.000 1.348 99 F HN 0.036 nan 8.300 nan 0.000 0.467 100 R N 0.854 121.511 120.500 0.261 0.000 2.807 100 R HA 0.766 5.106 4.340 -0.000 0.000 0.276 100 R C -0.404 176.054 176.300 0.263 0.000 0.979 100 R CA -0.703 55.466 56.100 0.115 0.000 0.928 100 R CB 1.817 32.170 30.300 0.089 0.000 1.191 100 R HN 1.491 nan 8.270 nan 0.000 0.471 101 G N 1.789 110.676 108.800 0.145 0.000 2.661 101 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.685 101 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.685 101 G C -2.145 172.869 174.900 0.191 0.000 1.298 101 G CA -0.816 44.380 45.100 0.159 0.000 0.855 101 G HN 0.449 nan 8.290 nan 0.000 0.560 102 P HA 0.144 nan 4.420 nan 0.000 0.222 102 P C 0.404 177.515 177.300 -0.316 0.000 1.153 102 P CA 1.000 63.988 63.100 -0.188 0.000 0.798 102 P CB 0.126 31.564 31.700 -0.437 0.000 0.796 103 F N 0.929 120.875 119.950 -0.008 0.000 2.458 103 F HA 0.441 4.968 4.527 -0.000 0.000 0.336 103 F C -2.086 173.396 175.800 -0.529 0.000 1.114 103 F CA -2.987 54.869 58.000 -0.241 0.000 0.987 103 F CB 0.992 39.788 39.000 -0.341 0.000 1.130 103 F HN -0.318 nan 8.300 nan 0.000 0.458 104 P HA 0.063 nan 4.420 nan 0.000 0.264 104 P C -2.400 174.559 177.300 -0.569 0.000 1.193 104 P CA -0.703 61.650 63.100 -1.246 0.000 0.763 104 P CB -0.100 31.025 31.700 -0.959 0.000 0.810 105 P HA 0.209 nan 4.420 nan 0.000 0.276 105 P C -1.035 176.120 177.300 -0.242 0.000 1.244 105 P CA -0.120 62.822 63.100 -0.262 0.000 0.801 105 P CB 0.889 32.492 31.700 -0.163 0.000 1.006 106 V N 1.787 121.535 119.914 -0.277 0.000 2.623 106 V HA 0.189 4.309 4.120 -0.000 0.000 0.304 106 V C 0.027 176.014 176.094 -0.179 0.000 1.054 106 V CA -0.204 61.971 62.300 -0.207 0.000 0.882 106 V CB 1.816 33.422 31.823 -0.362 0.000 1.002 106 V HN 0.667 nan 8.190 nan 0.000 0.424 107 W N 1.193 122.476 121.300 -0.028 0.000 2.630 107 W HA 0.194 4.854 4.660 0.000 0.000 0.275 107 W C 1.398 177.910 176.519 -0.012 0.000 1.192 107 W CA -0.030 57.303 57.345 -0.019 0.000 1.410 107 W CB 0.223 29.668 29.460 -0.025 0.000 1.075 107 W HN 0.506 nan 8.180 nan 0.000 0.581 108 N N 2.137 120.962 118.700 0.208 0.000 2.414 108 N HA -0.045 4.695 4.740 -0.000 0.000 0.268 108 N C -1.790 173.791 175.510 0.118 0.000 1.286 108 N CA -0.438 52.694 53.050 0.135 0.000 0.896 108 N CB 1.211 39.760 38.487 0.102 0.000 1.093 108 N HN -0.124 nan 8.380 nan 0.000 0.480 109 P HA -0.140 nan 4.420 nan 0.000 0.216 109 P C 1.544 178.909 177.300 0.107 0.000 1.150 109 P CA 0.852 63.996 63.100 0.073 0.000 0.843 109 P CB 0.335 32.057 31.700 0.036 0.000 0.787 110 I N -0.916 119.706 120.570 0.088 0.000 2.202 110 I HA -0.160 4.010 4.170 -0.000 0.000 0.242 110 I C 1.948 178.129 176.117 0.108 0.000 1.091 110 I CA 1.873 63.221 61.300 0.080 0.000 1.368 110 I CB -1.953 36.089 38.000 0.069 0.000 1.058 110 I HN 0.024 nan 8.210 nan 0.000 0.410 111 T N 0.359 114.987 114.554 0.123 0.000 2.788 111 T HA -0.237 4.113 4.350 -0.000 0.000 0.268 111 T C 1.870 176.666 174.700 0.160 0.000 1.044 111 T CA 1.324 63.517 62.100 0.155 0.000 1.139 111 T CB -0.573 68.363 68.868 0.113 0.000 0.867 111 T HN 0.296 nan 8.240 nan 0.000 0.454 112 Y N 1.746 122.041 120.300 -0.007 0.000 2.181 112 Y HA -0.064 4.486 4.550 0.000 0.000 0.288 112 Y C 1.988 177.894 175.900 0.009 0.000 1.146 112 Y CA 1.112 59.184 58.100 -0.045 0.000 1.164 112 Y CB -0.456 37.951 38.460 -0.088 0.000 0.982 112 Y HN 0.115 nan 8.280 nan 0.000 0.515 113 L N -0.257 121.065 121.223 0.164 0.000 2.131 113 L HA -0.196 4.144 4.340 -0.000 0.000 0.210 113 L C 2.049 178.909 176.870 -0.016 0.000 1.092 113 L CA 1.689 56.566 54.840 0.062 0.000 0.759 113 L CB -0.521 41.569 42.059 0.051 0.000 0.903 113 L HN 0.217 nan 8.230 nan 0.000 0.435 114 D N -1.022 119.395 120.400 0.028 0.000 2.123 114 D HA -0.165 4.475 4.640 -0.000 0.000 0.200 114 D C 2.193 178.480 176.300 -0.022 0.000 0.976 114 D CA 1.081 55.093 54.000 0.020 0.000 0.831 114 D CB 0.095 40.940 40.800 0.074 0.000 0.974 114 D HN 0.284 nan 8.370 nan 0.000 0.469 115 H N -0.076 118.919 119.070 -0.124 0.000 2.321 115 H HA -0.118 4.438 4.556 0.000 0.000 0.300 115 H C 2.130 177.393 175.328 -0.107 0.000 1.087 115 H CA 1.215 57.186 56.048 -0.128 0.000 1.319 115 H CB -0.167 29.532 29.762 -0.104 0.000 1.379 115 H HN 0.273 nan 8.280 nan 0.000 0.501 116 N N 1.153 119.779 118.700 -0.124 0.000 2.043 116 N HA -0.196 4.544 4.740 -0.000 0.000 0.193 116 N C 1.868 177.315 175.510 -0.106 0.000 1.037 116 N CA 1.090 54.030 53.050 -0.182 0.000 0.851 116 N CB -0.275 38.026 38.487 -0.310 0.000 1.027 116 N HN 0.391 nan 8.380 nan 0.000 0.422 117 N N 0.020 118.659 118.700 -0.103 0.000 2.149 117 N HA -0.203 4.537 4.740 -0.000 0.000 0.188 117 N C 1.927 177.359 175.510 -0.130 0.000 1.019 117 N CA 0.919 53.907 53.050 -0.104 0.000 0.857 117 N CB -0.354 38.082 38.487 -0.085 0.000 0.997 117 N HN 0.261 nan 8.380 nan 0.000 0.426 118 F N 0.641 120.413 119.950 -0.297 0.000 2.069 118 F HA -0.142 4.385 4.527 -0.000 0.000 0.298 118 F C 1.817 177.358 175.800 -0.431 0.000 1.113 118 F CA 1.764 59.500 58.000 -0.440 0.000 1.214 118 F CB -0.868 37.708 39.000 -0.706 0.000 0.978 118 F HN 0.085 nan 8.300 nan 0.000 0.474 119 W N 0.481 121.576 121.300 -0.342 0.000 2.363 119 W HA -0.088 4.572 4.660 -0.000 0.000 0.296 119 W C 2.789 179.071 176.519 -0.395 0.000 1.212 119 W CA 1.261 58.341 57.345 -0.442 0.000 1.260 119 W CB -0.589 28.636 29.460 -0.391 0.000 1.131 119 W HN -0.065 nan 8.180 nan 0.000 0.530 120 R N 0.167 120.595 120.500 -0.121 0.000 2.081 120 R HA -0.142 4.198 4.340 -0.000 0.000 0.235 120 R C 1.909 178.095 176.300 -0.190 0.000 1.131 120 R CA 2.145 58.156 56.100 -0.148 0.000 0.960 120 R CB -0.628 29.585 30.300 -0.145 0.000 0.856 120 R HN 0.029 nan 8.270 nan 0.000 0.436 121 T N 1.234 115.636 114.554 -0.253 0.000 2.821 121 T HA -0.089 4.261 4.350 -0.000 0.000 0.267 121 T C 1.820 176.333 174.700 -0.312 0.000 1.046 121 T CA 1.162 63.108 62.100 -0.258 0.000 1.139 121 T CB -0.036 68.687 68.868 -0.243 0.000 0.871 121 T HN 0.144 nan 8.240 nan 0.000 0.454 122 M N 1.787 121.123 119.600 -0.440 0.000 2.082 122 M HA -0.119 4.361 4.480 -0.000 0.000 0.258 122 M C 1.774 177.953 176.300 -0.201 0.000 1.069 122 M CA 1.541 56.634 55.300 -0.346 0.000 1.102 122 M CB -1.129 31.256 32.600 -0.358 0.000 1.336 122 M HN 0.184 nan 8.290 nan 0.000 0.404 123 D N 0.222 120.523 120.400 -0.165 0.000 2.149 123 D HA -0.106 4.534 4.640 -0.000 0.000 0.201 123 D C 1.625 177.859 176.300 -0.110 0.000 0.972 123 D CA 0.910 54.836 54.000 -0.123 0.000 0.835 123 D CB -0.291 40.446 40.800 -0.104 0.000 0.966 123 D HN 0.277 nan 8.370 nan 0.000 0.476 124 D N 0.419 120.748 120.400 -0.118 0.000 2.092 124 D HA -0.125 4.515 4.640 -0.000 0.000 0.193 124 D C 2.197 178.476 176.300 -0.036 0.000 0.994 124 D CA 0.893 54.845 54.000 -0.080 0.000 0.828 124 D CB -0.232 40.515 40.800 -0.088 0.000 0.963 124 D HN 0.226 nan 8.370 nan 0.000 0.450 125 M N 0.041 119.588 119.600 -0.089 0.000 2.159 125 M HA -0.036 4.444 4.480 -0.000 0.000 0.263 125 M C 2.344 178.684 176.300 0.066 0.000 1.063 125 M CA 1.547 56.810 55.300 -0.061 0.000 1.110 125 M CB -0.459 31.854 32.600 -0.479 0.000 1.374 125 M HN 0.030 nan 8.290 nan 0.000 0.411 126 G N 0.493 109.272 108.800 -0.035 0.000 2.469 126 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.220 126 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.220 126 G C 1.632 176.526 174.900 -0.011 0.000 1.136 126 G CA 0.749 45.830 45.100 -0.033 0.000 0.759 126 G HN 0.419 nan 8.290 nan 0.000 0.562 127 R N 0.134 120.624 120.500 -0.016 0.000 2.285 127 R HA 0.021 4.361 4.340 -0.000 0.000 0.213 127 R C 1.900 178.202 176.300 0.004 0.000 1.068 127 R CA 0.707 56.791 56.100 -0.025 0.000 1.004 127 R CB 0.058 30.336 30.300 -0.037 0.000 0.873 127 R HN 0.296 nan 8.270 nan 0.000 0.467 128 E N 0.324 120.567 120.200 0.072 0.000 2.435 128 E HA 0.040 4.390 4.350 -0.000 0.000 0.195 128 E C 0.288 176.905 176.600 0.028 0.000 1.029 128 E CA 0.519 56.958 56.400 0.065 0.000 0.865 128 E CB 0.360 30.154 29.700 0.156 0.000 0.833 128 E HN 0.331 nan 8.360 nan 0.000 0.510 129 I N 3.060 123.666 120.570 0.061 0.000 2.330 129 I HA 0.194 4.364 4.170 -0.000 0.000 0.286 129 I C -2.409 173.704 176.117 -0.007 0.000 1.025 129 I CA -2.354 58.977 61.300 0.051 0.000 1.197 129 I CB 1.316 39.415 38.000 0.165 0.000 1.358 129 I HN -0.339 nan 8.210 nan 0.000 0.467 130 P HA 0.114 nan 4.420 nan 0.000 0.267 130 P C 0.581 177.845 177.300 -0.059 0.000 1.205 130 P CA 0.179 63.203 63.100 -0.126 0.000 0.765 130 P CB 0.955 32.522 31.700 -0.222 0.000 0.828 131 S N 2.290 117.970 115.700 -0.032 0.000 2.374 131 S HA -0.186 4.284 4.470 -0.000 0.000 0.227 131 S C 1.319 176.003 174.600 0.140 0.000 1.037 131 S CA 1.978 60.230 58.200 0.086 0.000 1.024 131 S CB -0.647 62.516 63.200 -0.062 0.000 0.861 131 S HN 0.683 nan 8.310 nan 0.000 0.456 132 D N 0.432 120.774 120.400 -0.098 0.000 2.349 132 D HA 0.211 4.851 4.640 -0.000 0.000 0.215 132 D C 0.355 176.431 176.300 -0.373 0.000 1.016 132 D CA 0.541 54.436 54.000 -0.175 0.000 0.870 132 D CB 0.047 40.669 40.800 -0.296 0.000 0.917 132 D HN 0.297 nan 8.370 nan 0.000 0.524 133 A N 0.949 123.396 122.820 -0.623 0.000 3.399 133 A HA 0.371 4.691 4.320 -0.000 0.000 0.262 133 A C -2.090 174.712 177.584 -1.303 0.000 1.145 133 A CA -0.826 50.344 52.037 -1.445 0.000 0.916 133 A CB 0.945 19.320 19.000 -1.042 0.000 1.360 133 A HN -0.129 nan 8.150 nan 0.000 0.628 134 P HA -0.200 nan 4.420 nan 0.000 0.216 134 P C 1.290 178.402 177.300 -0.314 0.000 1.150 134 P CA 1.712 64.533 63.100 -0.465 0.000 0.843 134 P CB -0.353 31.052 31.700 -0.492 0.000 0.787 135 W N 0.828 122.052 121.300 -0.127 0.000 2.632 135 W HA 0.078 4.738 4.660 0.000 0.000 0.248 135 W C 1.330 177.798 176.519 -0.086 0.000 1.259 135 W CA 0.402 57.690 57.345 -0.094 0.000 1.288 135 W CB -1.454 27.948 29.460 -0.097 0.000 1.136 135 W HN -0.080 nan 8.180 nan 0.000 0.640 136 K N 0.769 120.948 120.400 -0.369 0.000 2.393 136 K HA 0.286 4.606 4.320 -0.000 0.000 0.193 136 K C 1.094 177.589 176.600 -0.175 0.000 1.026 136 K CA 0.249 56.403 56.287 -0.222 0.000 1.064 136 K CB -0.031 32.288 32.500 -0.302 0.000 0.833 136 K HN 0.100 nan 8.250 nan 0.000 0.521 137 A N 2.462 125.174 122.820 -0.181 0.000 2.565 137 A HA 0.048 4.368 4.320 -0.000 0.000 0.237 137 A C -1.640 175.796 177.584 -0.247 0.000 1.053 137 A CA -0.909 51.009 52.037 -0.198 0.000 0.755 137 A CB 0.028 18.911 19.000 -0.194 0.000 0.980 137 A HN -0.005 nan 8.150 nan 0.000 0.506 138 P HA -0.140 nan 4.420 nan 0.000 0.217 138 P C 0.451 177.560 177.300 -0.318 0.000 1.148 138 P CA 1.296 64.255 63.100 -0.236 0.000 0.834 138 P CB 0.049 31.629 31.700 -0.200 0.000 0.783 139 L N -2.464 118.415 121.223 -0.574 0.000 3.062 139 L HA 0.366 4.706 4.340 -0.000 0.000 0.255 139 L C 1.792 178.233 176.870 -0.715 0.000 1.274 139 L CA -0.340 54.071 54.840 -0.714 0.000 1.047 139 L CB -0.330 41.087 42.059 -1.069 0.000 1.402 139 L HN -0.125 nan 8.230 nan 0.000 0.550 140 A N 0.657 123.244 122.820 -0.388 0.000 1.873 140 A HA -0.274 4.046 4.320 -0.000 0.000 0.218 140 A C 2.221 179.790 177.584 -0.026 0.000 1.193 140 A CA 2.331 54.278 52.037 -0.149 0.000 0.629 140 A CB -0.251 18.724 19.000 -0.042 0.000 0.826 140 A HN 0.589 nan 8.150 nan 0.000 0.447 141 E N -0.368 119.809 120.200 -0.038 0.000 2.038 141 E HA -0.273 4.077 4.350 -0.000 0.000 0.195 141 E C 2.071 178.707 176.600 0.061 0.000 1.000 141 E CA 1.518 57.932 56.400 0.022 0.000 0.803 141 E CB -0.286 29.415 29.700 0.001 0.000 0.750 141 E HN 0.726 nan 8.360 nan 0.000 0.448 142 E N -0.563 119.649 120.200 0.020 0.000 2.097 142 E HA -0.212 4.138 4.350 -0.000 0.000 0.196 142 E C 1.651 178.435 176.600 0.307 0.000 1.000 142 E CA 1.593 58.061 56.400 0.114 0.000 0.804 142 E CB -0.168 29.569 29.700 0.063 0.000 0.740 142 E HN 0.454 nan 8.360 nan 0.000 0.454 143 W N 0.830 122.172 121.300 0.071 0.000 2.476 143 W HA 0.002 4.662 4.660 0.000 0.000 0.281 143 W C 1.906 178.497 176.519 0.120 0.000 1.230 143 W CA 0.586 57.985 57.345 0.091 0.000 1.287 143 W CB -0.921 28.592 29.460 0.088 0.000 1.108 143 W HN 0.214 nan 8.180 nan 0.000 0.567 144 D N -0.233 120.365 120.400 0.331 0.000 2.234 144 D HA -0.116 4.524 4.640 -0.000 0.000 0.205 144 D C 1.262 177.689 176.300 0.212 0.000 0.962 144 D CA 0.911 55.070 54.000 0.265 0.000 0.855 144 D CB -0.219 40.711 40.800 0.217 0.000 0.951 144 D HN -0.127 nan 8.370 nan 0.000 0.500 145 N N -0.238 118.572 118.700 0.182 0.000 2.434 145 N HA 0.067 4.807 4.740 -0.000 0.000 0.196 145 N C -0.198 175.393 175.510 0.135 0.000 1.183 145 N CA 0.160 53.294 53.050 0.140 0.000 0.849 145 N CB 0.171 38.724 38.487 0.110 0.000 0.992 145 N HN 0.323 nan 8.380 nan 0.000 0.460 146 M N 0.389 120.087 119.600 0.162 0.000 2.395 146 M HA 0.188 4.668 4.480 -0.000 0.000 0.307 146 M C -0.292 176.092 176.300 0.140 0.000 1.091 146 M CA -0.594 54.788 55.300 0.138 0.000 0.919 146 M CB 1.765 34.456 32.600 0.152 0.000 1.662 146 M HN 0.016 nan 8.290 nan 0.000 0.440 147 T N 0.998 115.616 114.554 0.107 0.000 2.828 147 T HA 0.185 4.535 4.350 -0.000 0.000 0.290 147 T C 1.175 175.920 174.700 0.075 0.000 1.019 147 T CA -0.781 61.379 62.100 0.100 0.000 1.031 147 T CB 0.827 69.744 68.868 0.082 0.000 1.001 147 T HN 0.716 nan 8.240 nan 0.000 0.531 148 M N 0.500 120.131 119.600 0.052 0.000 2.267 148 M HA -0.032 4.448 4.480 -0.000 0.000 0.263 148 M C 2.167 178.451 176.300 -0.028 0.000 1.063 148 M CA 1.545 56.843 55.300 -0.004 0.000 1.090 148 M CB -1.282 31.242 32.600 -0.127 0.000 1.392 148 M HN 0.872 nan 8.290 nan 0.000 0.422 149 K N 0.478 120.865 120.400 -0.022 0.000 2.026 149 K HA -0.179 4.141 4.320 -0.000 0.000 0.208 149 K C 1.714 178.304 176.600 -0.016 0.000 1.048 149 K CA 1.519 57.794 56.287 -0.020 0.000 0.929 149 K CB 0.001 32.514 32.500 0.022 0.000 0.713 149 K HN 0.369 nan 8.250 nan 0.000 0.439 150 E N 0.584 120.787 120.200 0.005 0.000 2.097 150 E HA -0.234 4.116 4.350 -0.000 0.000 0.196 150 E C 2.015 178.613 176.600 -0.004 0.000 1.000 150 E CA 1.245 57.647 56.400 0.003 0.000 0.804 150 E CB -0.129 29.586 29.700 0.026 0.000 0.740 150 E HN 0.195 nan 8.360 nan 0.000 0.454 151 L N 0.970 122.195 121.223 0.003 0.000 2.056 151 L HA -0.142 4.198 4.340 -0.000 0.000 0.207 151 L C 2.039 178.914 176.870 0.009 0.000 1.078 151 L CA 1.459 56.297 54.840 -0.003 0.000 0.749 151 L CB -0.301 41.750 42.059 -0.012 0.000 0.901 151 L HN 0.114 nan 8.230 nan 0.000 0.433 152 L N -0.784 120.439 121.223 -0.000 0.000 2.046 152 L HA -0.225 4.115 4.340 -0.000 0.000 0.208 152 L C 2.260 179.081 176.870 -0.081 0.000 1.077 152 L CA 1.425 56.237 54.840 -0.046 0.000 0.747 152 L CB -1.052 40.936 42.059 -0.117 0.000 0.896 152 L HN 0.266 nan 8.230 nan 0.000 0.432 153 D N 0.668 121.021 120.400 -0.078 0.000 2.149 153 D HA -0.197 4.443 4.640 -0.000 0.000 0.198 153 D C 2.096 178.318 176.300 -0.130 0.000 0.990 153 D CA 1.596 55.533 54.000 -0.105 0.000 0.839 153 D CB -0.027 40.722 40.800 -0.085 0.000 0.948 153 D HN 0.536 nan 8.370 nan 0.000 0.460 154 K N -0.119 120.233 120.400 -0.080 0.000 2.323 154 K HA 0.110 4.430 4.320 -0.000 0.000 0.197 154 K C 2.097 178.702 176.600 0.008 0.000 1.043 154 K CA 0.261 56.506 56.287 -0.070 0.000 0.997 154 K CB -0.042 32.445 32.500 -0.022 0.000 0.807 154 K HN 0.102 nan 8.250 nan 0.000 0.497 155 L N 1.122 122.372 121.223 0.045 0.000 2.202 155 L HA 0.095 4.435 4.340 -0.000 0.000 0.205 155 L C 0.529 177.524 176.870 0.208 0.000 1.083 155 L CA -0.102 54.824 54.840 0.143 0.000 0.790 155 L CB 0.166 42.313 42.059 0.146 0.000 0.942 155 L HN 0.189 nan 8.230 nan 0.000 0.452 156 C N -0.240 119.092 119.300 0.054 0.000 2.281 156 C HA 0.109 4.569 4.460 -0.000 0.000 0.336 156 C C 0.769 175.782 174.990 0.039 0.000 1.217 156 C CA -0.958 58.064 59.018 0.007 0.000 1.730 156 C CB -0.914 26.705 27.740 -0.201 0.000 2.338 156 C HN 0.466 nan 8.230 nan 0.000 0.521 157 W N 1.912 123.167 121.300 -0.075 0.000 3.256 157 W HA 0.138 4.798 4.660 -0.000 0.000 0.269 157 W C 1.402 177.898 176.519 -0.039 0.000 1.310 157 W CA 0.075 57.393 57.345 -0.045 0.000 1.673 157 W CB -0.158 29.287 29.460 -0.026 0.000 1.115 157 W HN 0.683 nan 8.180 nan 0.000 0.686 158 T N -3.660 110.964 114.554 0.116 0.000 2.908 158 T HA 0.302 4.652 4.350 -0.000 0.000 0.290 158 T C 0.822 175.515 174.700 -0.012 0.000 1.034 158 T CA -0.635 61.503 62.100 0.063 0.000 1.010 158 T CB 2.596 71.521 68.868 0.096 0.000 1.068 158 T HN -0.220 nan 8.240 nan 0.000 0.481 159 E N 0.987 121.185 120.200 -0.002 0.000 2.150 159 E HA -0.084 4.266 4.350 -0.000 0.000 0.193 159 E C 2.127 178.718 176.600 -0.016 0.000 0.985 159 E CA 1.087 57.473 56.400 -0.023 0.000 0.814 159 E CB -0.399 29.298 29.700 -0.005 0.000 0.752 159 E HN 0.724 nan 8.360 nan 0.000 0.466 160 S N 0.635 116.359 115.700 0.041 0.000 2.359 160 S HA -0.160 4.310 4.470 -0.000 0.000 0.224 160 S C 2.057 176.671 174.600 0.024 0.000 1.035 160 S CA 1.463 59.735 58.200 0.120 0.000 1.018 160 S CB -0.038 63.305 63.200 0.239 0.000 0.876 160 S HN 0.294 nan 8.310 nan 0.000 0.448 161 A N 1.187 123.881 122.820 -0.210 0.000 1.929 161 A HA 0.013 4.333 4.320 -0.000 0.000 0.216 161 A C 2.143 179.372 177.584 -0.593 0.000 1.176 161 A CA 1.629 53.226 52.037 -0.733 0.000 0.628 161 A CB -0.642 17.918 19.000 -0.732 0.000 0.816 161 A HN 0.646 nan 8.150 nan 0.000 0.444 162 K N -0.355 119.823 120.400 -0.370 0.000 2.057 162 K HA -0.200 4.120 4.320 -0.000 0.000 0.207 162 K C 2.198 178.662 176.600 -0.226 0.000 1.049 162 K CA 1.627 57.720 56.287 -0.323 0.000 0.931 162 K CB -0.221 32.160 32.500 -0.199 0.000 0.714 162 K HN 0.611 nan 8.250 nan 0.000 0.440 163 Q N 0.321 120.048 119.800 -0.122 0.000 2.030 163 Q HA -0.199 4.141 4.340 -0.000 0.000 0.204 163 Q C 2.163 178.167 176.000 0.006 0.000 0.986 163 Q CA 1.610 57.399 55.803 -0.023 0.000 0.843 163 Q CB -0.143 28.623 28.738 0.045 0.000 0.904 163 Q HN 0.237 nan 8.270 nan 0.000 0.420 164 L N 0.336 121.551 121.223 -0.013 0.000 2.093 164 L HA -0.074 4.266 4.340 -0.000 0.000 0.208 164 L C 2.095 178.995 176.870 0.049 0.000 1.085 164 L CA 1.915 56.804 54.840 0.082 0.000 0.755 164 L CB -0.751 41.390 42.059 0.138 0.000 0.904 164 L HN 0.137 nan 8.230 nan 0.000 0.435 165 A N -1.846 120.808 122.820 -0.276 0.000 1.930 165 A HA -0.169 4.151 4.320 -0.000 0.000 0.217 165 A C 2.240 179.807 177.584 -0.028 0.000 1.175 165 A CA 2.087 53.921 52.037 -0.338 0.000 0.627 165 A CB -1.030 17.284 19.000 -1.143 0.000 0.815 165 A HN 0.479 nan 8.150 nan 0.000 0.443 166 T N 0.112 114.618 114.554 -0.079 0.000 2.708 166 T HA -0.122 4.228 4.350 -0.000 0.000 0.266 166 T C 1.873 176.588 174.700 0.024 0.000 1.037 166 T CA 1.424 63.495 62.100 -0.048 0.000 1.146 166 T CB -0.383 68.458 68.868 -0.045 0.000 0.865 166 T HN 0.387 nan 8.240 nan 0.000 0.435 167 L N 0.267 121.555 121.223 0.108 0.000 2.046 167 L HA -0.057 4.283 4.340 -0.000 0.000 0.208 167 L C 2.231 179.230 176.870 0.215 0.000 1.077 167 L CA 1.444 56.383 54.840 0.165 0.000 0.747 167 L CB -0.414 41.779 42.059 0.224 0.000 0.896 167 L HN 0.207 nan 8.230 nan 0.000 0.432 168 F N -0.200 119.841 119.950 0.152 0.000 2.091 168 F HA -0.272 4.255 4.527 0.000 0.000 0.299 168 F C 2.090 178.011 175.800 0.202 0.000 1.103 168 F CA 2.227 60.377 58.000 0.249 0.000 1.228 168 F CB -0.784 38.499 39.000 0.472 0.000 0.984 168 F HN -0.112 nan 8.300 nan 0.000 0.477 169 V N 1.067 120.874 119.914 -0.177 0.000 2.295 169 V HA -0.345 3.775 4.120 -0.000 0.000 0.246 169 V C 2.072 178.003 176.094 -0.273 0.000 1.049 169 V CA 2.401 64.390 62.300 -0.519 0.000 1.024 169 V CB -1.102 30.303 31.823 -0.697 0.000 0.648 169 V HN 0.417 nan 8.190 nan 0.000 0.447 170 N N 0.232 118.840 118.700 -0.154 0.000 2.061 170 N HA -0.240 4.500 4.740 -0.000 0.000 0.193 170 N C 1.773 177.240 175.510 -0.071 0.000 1.030 170 N CA 1.457 54.445 53.050 -0.102 0.000 0.856 170 N CB -0.272 38.202 38.487 -0.021 0.000 1.023 170 N HN 0.331 nan 8.380 nan 0.000 0.424 171 L N 0.859 122.078 121.223 -0.007 0.000 2.056 171 L HA -0.047 4.293 4.340 -0.000 0.000 0.207 171 L C 2.018 178.931 176.870 0.072 0.000 1.078 171 L CA 1.481 56.339 54.840 0.030 0.000 0.749 171 L CB -0.537 41.533 42.059 0.019 0.000 0.901 171 L HN 0.252 nan 8.230 nan 0.000 0.433 172 C N -1.507 117.815 119.300 0.037 0.000 2.457 172 C HA 0.001 4.461 4.460 -0.000 0.000 0.278 172 C C 2.186 177.293 174.990 0.195 0.000 1.309 172 C CA 0.880 59.991 59.018 0.155 0.000 1.735 172 C CB -0.523 27.260 27.740 0.072 0.000 1.992 172 C HN 0.566 nan 8.230 nan 0.000 0.493 173 V N -2.114 117.812 119.914 0.020 0.000 3.276 173 V HA 0.297 4.417 4.120 -0.000 0.000 0.319 173 V C 0.754 176.721 176.094 -0.211 0.000 1.476 173 V CA 0.752 63.022 62.300 -0.049 0.000 1.097 173 V CB -1.375 30.538 31.823 0.150 0.000 0.988 173 V HN 0.504 nan 8.190 nan 0.000 0.473 174 T N -1.387 112.956 114.554 -0.351 0.000 3.760 174 T HA -0.087 4.263 4.350 -0.000 0.000 0.366 174 T C 0.140 174.676 174.700 -0.273 0.000 0.761 174 T CA 1.328 63.200 62.100 -0.381 0.000 1.887 174 T CB -2.560 65.947 68.868 -0.601 0.000 1.811 174 T HN 2.445 nan 8.240 nan 0.000 0.749 175 A N -0.294 122.350 122.820 -0.293 0.000 2.587 175 A HA 0.710 5.030 4.320 -0.000 0.000 0.293 175 A C -0.391 176.974 177.584 -0.366 0.000 1.087 175 A CA -1.068 50.720 52.037 -0.414 0.000 0.692 175 A CB 1.230 19.752 19.000 -0.797 0.000 1.291 175 A HN 0.339 nan 8.150 nan 0.000 0.407 176 E N 0.616 120.560 120.200 -0.427 0.000 2.373 176 E HA 0.210 4.560 4.350 -0.000 0.000 0.263 176 E C 1.290 177.583 176.600 -0.511 0.000 1.073 176 E CA 0.567 56.676 56.400 -0.484 0.000 0.894 176 E CB 0.777 29.984 29.700 -0.822 0.000 1.008 176 E HN 0.812 nan 8.360 nan 0.000 0.420 177 T N -1.333 112.992 114.554 -0.381 0.000 2.833 177 T HA -0.207 4.143 4.350 -0.000 0.000 0.269 177 T C 1.464 176.049 174.700 -0.192 0.000 1.054 177 T CA 1.684 63.621 62.100 -0.272 0.000 1.135 177 T CB -0.403 68.358 68.868 -0.178 0.000 0.869 177 T HN 0.639 nan 8.240 nan 0.000 0.466 178 H N 0.674 119.685 119.070 -0.097 0.000 2.547 178 H HA 0.225 4.781 4.556 -0.000 0.000 0.272 178 H C 1.443 176.742 175.328 -0.049 0.000 0.989 178 H CA 0.890 56.901 56.048 -0.063 0.000 1.214 178 H CB -0.175 29.550 29.762 -0.062 0.000 1.389 178 H HN 0.525 nan 8.280 nan 0.000 0.577 179 E N 1.430 121.487 120.200 -0.238 0.000 2.340 179 E HA 0.059 4.409 4.350 -0.000 0.000 0.194 179 E C 0.814 177.389 176.600 -0.042 0.000 0.996 179 E CA 0.358 56.682 56.400 -0.126 0.000 0.869 179 E CB 0.898 30.386 29.700 -0.353 0.000 0.835 179 E HN 0.349 nan 8.360 nan 0.000 0.493 180 V N -0.734 119.141 119.914 -0.064 0.000 2.630 180 V HA 0.408 4.528 4.120 -0.000 0.000 0.305 180 V C 0.055 176.290 176.094 0.235 0.000 1.046 180 V CA -1.154 61.217 62.300 0.118 0.000 0.934 180 V CB 1.836 33.769 31.823 0.183 0.000 1.003 180 V HN -0.016 nan 8.190 nan 0.000 0.451 181 S N 3.443 119.355 115.700 0.355 0.000 2.549 181 S HA 0.413 4.883 4.470 -0.000 0.000 0.286 181 S C 1.426 176.283 174.600 0.428 0.000 1.314 181 S CA 0.199 58.624 58.200 0.375 0.000 1.062 181 S CB 0.897 64.354 63.200 0.429 0.000 0.865 181 S HN 1.744 nan 8.310 nan 0.000 0.498 182 A N 4.892 127.897 122.820 0.309 0.000 1.898 182 A HA -0.012 4.308 4.320 -0.000 0.000 0.216 182 A C 2.025 179.801 177.584 0.320 0.000 1.181 182 A CA 1.529 53.726 52.037 0.267 0.000 0.620 182 A CB -0.917 18.168 19.000 0.141 0.000 0.819 182 A HN 0.952 nan 8.150 nan 0.000 0.442 183 L N -1.422 120.028 121.223 0.378 0.000 2.012 183 L HA -0.175 4.165 4.340 -0.000 0.000 0.210 183 L C 2.232 179.341 176.870 0.399 0.000 1.073 183 L CA 2.559 57.650 54.840 0.418 0.000 0.748 183 L CB -0.745 41.557 42.059 0.405 0.000 0.891 183 L HN 0.658 nan 8.230 nan 0.000 0.431 184 W N -0.497 120.973 121.300 0.282 0.000 2.335 184 W HA -0.307 4.353 4.660 0.000 0.000 0.311 184 W C 2.376 179.171 176.519 0.460 0.000 1.213 184 W CA 2.100 59.635 57.345 0.317 0.000 1.274 184 W CB -0.707 28.928 29.460 0.292 0.000 1.148 184 W HN 0.298 nan 8.180 nan 0.000 0.498 185 F N 0.619 120.632 119.950 0.105 0.000 2.186 185 F HA -0.137 4.390 4.527 -0.000 0.000 0.299 185 F C 2.042 177.769 175.800 -0.122 0.000 1.090 185 F CA 1.982 59.853 58.000 -0.215 0.000 1.307 185 F CB -0.609 38.401 39.000 0.016 0.000 1.019 185 F HN -0.169 nan 8.300 nan 0.000 0.489 186 L N -1.330 119.898 121.223 0.008 0.000 2.093 186 L HA -0.198 4.142 4.340 -0.000 0.000 0.208 186 L C 2.281 179.084 176.870 -0.112 0.000 1.085 186 L CA 1.549 56.343 54.840 -0.077 0.000 0.755 186 L CB -1.015 41.049 42.059 0.009 0.000 0.904 186 L HN 0.431 nan 8.230 nan 0.000 0.435 187 W N 0.146 121.326 121.300 -0.201 0.000 2.355 187 W HA -0.309 4.351 4.660 0.000 0.000 0.309 187 W C 2.642 178.960 176.519 -0.335 0.000 1.206 187 W CA 1.535 58.747 57.345 -0.222 0.000 1.284 187 W CB -0.659 28.704 29.460 -0.163 0.000 1.145 187 W HN 0.104 nan 8.180 nan 0.000 0.502 188 Y N 0.660 120.519 120.300 -0.735 0.000 2.165 188 Y HA -0.300 4.250 4.550 -0.000 0.000 0.286 188 Y C 2.319 177.679 175.900 -0.901 0.000 1.155 188 Y CA 2.994 60.462 58.100 -1.054 0.000 1.164 188 Y CB -0.730 37.099 38.460 -1.052 0.000 0.978 188 Y HN -0.128 nan 8.280 nan 0.000 0.513 189 V N 0.853 120.351 119.914 -0.694 0.000 2.307 189 V HA -0.268 3.852 4.120 -0.000 0.000 0.245 189 V C 2.501 178.267 176.094 -0.547 0.000 1.045 189 V CA 2.126 64.091 62.300 -0.557 0.000 1.024 189 V CB -0.702 30.880 31.823 -0.403 0.000 0.651 189 V HN 0.300 nan 8.190 nan 0.000 0.449 190 K N 1.266 121.367 120.400 -0.498 0.000 2.044 190 K HA -0.276 4.044 4.320 -0.000 0.000 0.210 190 K C 2.150 178.420 176.600 -0.551 0.000 1.049 190 K CA 2.487 58.518 56.287 -0.428 0.000 0.927 190 K CB -0.249 32.067 32.500 -0.306 0.000 0.713 190 K HN 0.723 nan 8.250 nan 0.000 0.443 191 Q N -0.832 118.492 119.800 -0.794 0.000 2.472 191 Q HA -0.002 4.338 4.340 -0.000 0.000 0.208 191 Q C 1.406 176.894 176.000 -0.853 0.000 0.958 191 Q CA 0.999 56.335 55.803 -0.777 0.000 0.932 191 Q CB -0.456 27.647 28.738 -1.058 0.000 1.007 191 Q HN 0.156 nan 8.270 nan 0.000 0.508 192 C N 0.327 118.971 119.300 -1.093 0.000 2.780 192 C HA 0.621 5.081 4.460 -0.000 0.000 0.287 192 C C 1.523 175.742 174.990 -1.285 0.000 1.288 192 C CA 0.106 58.075 59.018 -1.748 0.000 1.713 192 C CB -0.892 25.851 27.740 -1.662 0.000 1.955 192 C HN 0.836 nan 8.230 nan 0.000 0.613 193 G N 0.312 108.701 108.800 -0.685 0.000 2.176 193 G HA2 0.244 4.204 3.960 -0.000 0.000 0.253 193 G HA3 0.244 4.204 3.960 -0.000 0.000 0.253 193 G C 0.476 175.211 174.900 -0.275 0.000 0.979 193 G CA 0.077 44.955 45.100 -0.371 0.000 0.641 193 G HN 1.670 nan 8.290 nan 0.000 0.530 194 G N -2.348 106.266 108.800 -0.309 0.000 2.541 194 G HA2 0.367 4.327 3.960 -0.000 0.000 0.686 194 G HA3 0.367 4.327 3.960 -0.000 0.000 0.686 194 G C 0.959 175.799 174.900 -0.100 0.000 1.286 194 G CA 0.942 45.932 45.100 -0.183 0.000 0.894 194 G HN 1.845 nan 8.290 nan 0.000 0.575 195 T N -2.882 111.668 114.554 -0.007 0.000 2.746 195 T HA -0.122 4.228 4.350 -0.000 0.000 0.267 195 T C 2.344 177.060 174.700 0.026 0.000 1.039 195 T CA 3.008 65.162 62.100 0.089 0.000 1.142 195 T CB -0.797 68.156 68.868 0.141 0.000 0.866 195 T HN 0.966 nan 8.240 nan 0.000 0.444 196 T N 1.343 115.915 114.554 0.030 0.000 2.708 196 T HA -0.028 4.322 4.350 -0.000 0.000 0.266 196 T C 2.117 176.786 174.700 -0.052 0.000 1.037 196 T CA 1.491 63.595 62.100 0.006 0.000 1.146 196 T CB -0.342 68.565 68.868 0.065 0.000 0.865 196 T HN 0.310 nan 8.240 nan 0.000 0.435 197 R N 0.921 121.403 120.500 -0.031 0.000 2.091 197 R HA 0.104 4.444 4.340 -0.000 0.000 0.238 197 R C 2.201 178.535 176.300 0.058 0.000 1.136 197 R CA 1.212 57.315 56.100 0.005 0.000 0.959 197 R CB -0.835 29.447 30.300 -0.029 0.000 0.856 197 R HN 0.460 nan 8.270 nan 0.000 0.437 198 I N 0.150 120.721 120.570 0.000 0.000 2.353 198 I HA -0.156 4.014 4.170 -0.000 0.000 0.248 198 I C 1.536 177.731 176.117 0.129 0.000 1.119 198 I CA 1.140 62.490 61.300 0.082 0.000 1.417 198 I CB 0.068 38.082 38.000 0.023 0.000 1.078 198 I HN 0.310 nan 8.210 nan 0.000 0.421 199 I N -2.440 118.153 120.570 0.038 0.000 3.603 199 I HA 0.135 4.305 4.170 -0.000 0.000 0.297 199 I C 0.868 176.909 176.117 -0.128 0.000 1.269 199 I CA 0.082 61.350 61.300 -0.052 0.000 1.361 199 I CB -0.216 37.666 38.000 -0.197 0.000 1.063 199 I HN -0.121 nan 8.210 nan 0.000 0.448 200 S N 1.192 116.822 115.700 -0.116 0.000 2.565 200 S HA 0.278 4.748 4.470 -0.000 0.000 0.274 200 S C 1.031 175.591 174.600 -0.066 0.000 1.309 200 S CA -0.190 57.938 58.200 -0.118 0.000 1.043 200 S CB 1.486 64.624 63.200 -0.104 0.000 0.939 200 S HN 0.339 nan 8.310 nan 0.000 0.504 201 T N 2.298 116.811 114.554 -0.069 0.000 2.764 201 T HA 0.014 4.364 4.350 -0.000 0.000 0.243 201 T C 0.677 175.337 174.700 -0.067 0.000 1.065 201 T CA 0.709 62.763 62.100 -0.077 0.000 1.219 201 T CB -0.327 68.493 68.868 -0.080 0.000 0.918 201 T HN 0.598 nan 8.240 nan 0.000 0.409 202 T N 3.476 117.997 114.554 -0.055 0.000 2.871 202 T HA 0.111 4.461 4.350 -0.000 0.000 0.296 202 T C 0.719 175.397 174.700 -0.037 0.000 0.998 202 T CA 0.340 62.416 62.100 -0.041 0.000 1.162 202 T CB -0.109 68.742 68.868 -0.029 0.000 0.947 202 T HN 0.508 nan 8.240 nan 0.000 0.536 203 N N 0.783 119.465 118.700 -0.031 0.000 2.741 203 N HA -0.150 4.590 4.740 -0.000 0.000 0.251 203 N C 0.150 175.655 175.510 -0.009 0.000 1.112 203 N CA 1.407 54.446 53.050 -0.019 0.000 0.750 203 N CB -1.030 37.451 38.487 -0.010 0.000 1.119 203 N HN 0.939 nan 8.380 nan 0.000 0.561 204 G N -3.191 105.596 108.800 -0.022 0.000 3.086 204 G HA2 0.575 4.535 3.960 -0.000 0.000 0.282 204 G HA3 0.575 4.535 3.960 -0.000 0.000 0.282 204 G C 0.977 175.864 174.900 -0.023 0.000 1.343 204 G CA -0.067 45.040 45.100 0.012 0.000 0.895 204 G HN 0.272 nan 8.290 nan 0.000 0.557 205 G N -0.965 107.859 108.800 0.040 0.000 2.470 205 G HA2 -0.021 3.939 3.960 -0.000 0.000 0.220 205 G HA3 -0.021 3.939 3.960 -0.000 0.000 0.220 205 G C 1.205 176.062 174.900 -0.072 0.000 1.121 205 G CA 0.959 46.005 45.100 -0.090 0.000 0.766 205 G HN 0.414 nan 8.290 nan 0.000 0.553 206 Q N -0.424 119.328 119.800 -0.080 0.000 2.204 206 Q HA 0.269 4.609 4.340 -0.000 0.000 0.209 206 Q C 1.716 177.622 176.000 -0.157 0.000 0.861 206 Q CA -0.122 55.562 55.803 -0.199 0.000 0.971 206 Q CB 0.675 29.204 28.738 -0.348 0.000 1.095 206 Q HN 0.614 nan 8.270 nan 0.000 0.486 207 E N 0.516 120.648 120.200 -0.112 0.000 2.110 207 E HA -0.098 4.252 4.350 -0.000 0.000 0.193 207 E C -0.044 176.483 176.600 -0.122 0.000 0.988 207 E CA 0.822 57.158 56.400 -0.106 0.000 0.804 207 E CB 0.415 30.055 29.700 -0.100 0.000 0.745 207 E HN 0.159 nan 8.360 nan 0.000 0.458 208 R N -0.847 119.562 120.500 -0.151 0.000 2.808 208 R HA 0.457 4.797 4.340 -0.000 0.000 0.272 208 R C -1.055 175.043 176.300 -0.336 0.000 0.995 208 R CA -0.720 55.215 56.100 -0.275 0.000 0.917 208 R CB 2.032 32.153 30.300 -0.298 0.000 1.217 208 R HN -0.176 nan 8.270 nan 0.000 0.471 209 K N 0.651 120.695 120.400 -0.595 0.000 2.400 209 K HA 0.440 4.760 4.320 -0.000 0.000 0.246 209 K C -1.108 175.188 176.600 -0.507 0.000 0.995 209 K CA -0.710 55.236 56.287 -0.568 0.000 0.840 209 K CB 1.547 33.758 32.500 -0.482 0.000 1.293 209 K HN 0.236 nan 8.250 nan 0.000 0.445 210 F N 1.001 120.900 119.950 -0.085 0.000 2.412 210 F HA 0.145 4.672 4.527 -0.000 0.000 0.348 210 F C 0.485 176.358 175.800 0.121 0.000 1.102 210 F CA -0.916 57.084 58.000 0.000 0.000 1.196 210 F CB 0.883 39.854 39.000 -0.048 0.000 1.144 210 F HN 0.005 nan 8.300 nan 0.000 0.541 211 V N 3.539 123.664 119.914 0.352 0.000 2.485 211 V HA 0.256 4.376 4.120 -0.000 0.000 0.287 211 V C 0.910 176.908 176.094 -0.161 0.000 1.022 211 V CA 1.090 63.501 62.300 0.185 0.000 1.067 211 V CB 0.116 32.026 31.823 0.145 0.000 0.967 211 V HN 1.107 nan 8.190 nan 0.000 0.479 212 G N 3.332 111.665 108.800 -0.780 0.000 2.195 212 G HA2 0.146 4.106 3.960 -0.000 0.000 0.246 212 G HA3 0.146 4.106 3.960 -0.000 0.000 0.246 212 G C 0.771 175.156 174.900 -0.858 0.000 0.984 212 G CA -0.109 44.266 45.100 -1.209 0.000 0.633 212 G HN 2.392 nan 8.290 nan 0.000 0.525 213 G N -1.485 107.088 108.800 -0.378 0.000 2.617 213 G HA2 0.386 4.346 3.960 -0.000 0.000 0.686 213 G HA3 0.386 4.346 3.960 -0.000 0.000 0.686 213 G C 0.770 175.674 174.900 0.006 0.000 1.214 213 G CA 0.866 45.933 45.100 -0.055 0.000 0.796 213 G HN 1.874 nan 8.290 nan 0.000 0.654 214 S N -0.186 115.574 115.700 0.100 0.000 2.489 214 S HA 0.170 4.640 4.470 -0.000 0.000 0.228 214 S C 2.498 177.078 174.600 -0.034 0.000 0.995 214 S CA 1.538 59.785 58.200 0.078 0.000 0.934 214 S CB 0.058 63.387 63.200 0.216 0.000 0.771 214 S HN 2.156 nan 8.310 nan 0.000 0.522 215 G N 1.484 110.281 108.800 -0.005 0.000 2.462 215 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.220 215 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.220 215 G C 1.455 176.327 174.900 -0.048 0.000 1.121 215 G CA 0.696 45.799 45.100 0.006 0.000 0.758 215 G HN 0.631 nan 8.290 nan 0.000 0.559 216 Q N -0.168 119.568 119.800 -0.107 0.000 2.181 216 Q HA -0.086 4.254 4.340 -0.000 0.000 0.205 216 Q C 2.767 178.673 176.000 -0.157 0.000 0.980 216 Q CA 1.156 56.878 55.803 -0.136 0.000 0.862 216 Q CB -0.270 28.360 28.738 -0.180 0.000 0.905 216 Q HN 0.419 nan 8.270 nan 0.000 0.429 217 V N 0.510 120.298 119.914 -0.209 0.000 2.231 217 V HA -0.326 3.794 4.120 -0.000 0.000 0.248 217 V C 2.165 178.192 176.094 -0.110 0.000 1.054 217 V CA 2.264 64.442 62.300 -0.202 0.000 1.015 217 V CB -0.687 31.001 31.823 -0.225 0.000 0.638 217 V HN 0.321 nan 8.190 nan 0.000 0.444 218 S N -0.943 114.717 115.700 -0.068 0.000 2.383 218 S HA -0.184 4.286 4.470 -0.000 0.000 0.227 218 S C 1.904 176.482 174.600 -0.037 0.000 1.026 218 S CA 1.406 59.584 58.200 -0.036 0.000 0.981 218 S CB -0.267 62.933 63.200 -0.000 0.000 0.818 218 S HN 0.682 nan 8.310 nan 0.000 0.472 219 E N 0.976 121.153 120.200 -0.039 0.000 2.072 219 E HA -0.055 4.295 4.350 -0.000 0.000 0.191 219 E C 2.348 178.918 176.600 -0.049 0.000 0.985 219 E CA 0.763 57.142 56.400 -0.035 0.000 0.801 219 E CB -0.040 29.640 29.700 -0.033 0.000 0.750 219 E HN 0.344 nan 8.360 nan 0.000 0.452 220 R N 0.209 120.670 120.500 -0.066 0.000 2.115 220 R HA -0.012 4.328 4.340 -0.000 0.000 0.226 220 R C 2.301 178.563 176.300 -0.064 0.000 1.100 220 R CA 0.747 56.806 56.100 -0.067 0.000 0.980 220 R CB -0.124 30.127 30.300 -0.082 0.000 0.875 220 R HN 0.223 nan 8.270 nan 0.000 0.445 221 I N 0.645 121.176 120.570 -0.065 0.000 2.315 221 I HA -0.263 3.907 4.170 -0.000 0.000 0.248 221 I C 2.642 178.714 176.117 -0.075 0.000 1.117 221 I CA 1.044 62.305 61.300 -0.066 0.000 1.404 221 I CB -0.161 37.805 38.000 -0.058 0.000 1.071 221 I HN 0.184 nan 8.210 nan 0.000 0.419 222 M N 0.907 120.470 119.600 -0.062 0.000 2.108 222 M HA -0.248 4.232 4.480 -0.000 0.000 0.261 222 M C 1.606 177.867 176.300 -0.064 0.000 1.066 222 M CA 1.966 57.230 55.300 -0.061 0.000 1.107 222 M CB -0.180 32.395 32.600 -0.041 0.000 1.356 222 M HN 0.141 nan 8.290 nan 0.000 0.406 223 D N 0.536 120.902 120.400 -0.056 0.000 2.144 223 D HA -0.123 4.516 4.640 -0.000 0.000 0.199 223 D C 2.076 178.340 176.300 -0.059 0.000 0.984 223 D CA 1.315 55.285 54.000 -0.049 0.000 0.834 223 D CB -0.399 40.377 40.800 -0.040 0.000 0.955 223 D HN 0.444 nan 8.370 nan 0.000 0.465 224 L N 0.116 121.295 121.223 -0.074 0.000 2.093 224 L HA -0.091 4.249 4.340 -0.000 0.000 0.208 224 L C 2.352 179.118 176.870 -0.173 0.000 1.085 224 L CA 0.715 55.501 54.840 -0.089 0.000 0.755 224 L CB -0.216 41.795 42.059 -0.080 0.000 0.904 224 L HN 0.009 nan 8.230 nan 0.000 0.435 225 L N -1.205 119.895 121.223 -0.206 0.000 2.446 225 L HA 0.168 4.508 4.340 -0.000 0.000 0.219 225 L C 1.649 178.425 176.870 -0.157 0.000 1.116 225 L CA 0.354 55.021 54.840 -0.288 0.000 0.844 225 L CB -0.666 41.248 42.059 -0.243 0.000 0.970 225 L HN 0.420 nan 8.230 nan 0.000 0.457 226 G N 1.153 109.895 108.800 -0.096 0.000 2.611 226 G HA2 -0.395 3.565 3.960 -0.000 0.000 0.301 226 G HA3 -0.395 3.565 3.960 -0.000 0.000 0.301 226 G C 0.374 175.249 174.900 -0.041 0.000 1.233 226 G CA 0.524 45.592 45.100 -0.053 0.000 0.993 226 G HN 0.305 nan 8.290 nan 0.000 0.553 227 D N 0.972 121.359 120.400 -0.021 0.000 2.392 227 D HA 0.027 4.667 4.640 -0.000 0.000 0.228 227 D C 2.446 178.744 176.300 -0.004 0.000 1.003 227 D CA 0.652 54.648 54.000 -0.006 0.000 0.917 227 D CB -0.153 40.652 40.800 0.009 0.000 0.890 227 D HN 0.510 nan 8.370 nan 0.000 0.532 228 R N -0.081 120.405 120.500 -0.023 0.000 2.235 228 R HA 0.047 4.387 4.340 -0.000 0.000 0.213 228 R C 0.385 176.659 176.300 -0.043 0.000 1.059 228 R CA 0.228 56.315 56.100 -0.023 0.000 0.997 228 R CB 0.332 30.609 30.300 -0.039 0.000 0.884 228 R HN 0.009 nan 8.270 nan 0.000 0.462 229 V N 2.621 122.506 119.914 -0.049 0.000 2.432 229 V HA 0.130 4.250 4.120 -0.000 0.000 0.275 229 V C -0.044 176.023 176.094 -0.045 0.000 1.043 229 V CA -0.400 61.866 62.300 -0.056 0.000 0.925 229 V CB 1.447 33.238 31.823 -0.054 0.000 0.985 229 V HN 0.043 nan 8.190 nan 0.000 0.466 230 K N 6.305 126.665 120.400 -0.066 0.000 2.464 230 K HA 0.521 4.841 4.320 -0.000 0.000 0.252 230 K C -0.756 175.809 176.600 -0.058 0.000 1.000 230 K CA -0.353 55.904 56.287 -0.049 0.000 0.951 230 K CB 1.791 34.253 32.500 -0.063 0.000 1.183 230 K HN 0.500 nan 8.250 nan 0.000 0.445 231 L N 1.558 122.758 121.223 -0.038 0.000 2.436 231 L HA 0.124 4.464 4.340 -0.000 0.000 0.265 231 L C 0.676 177.518 176.870 -0.047 0.000 1.168 231 L CA -0.028 54.785 54.840 -0.045 0.000 0.815 231 L CB 0.135 42.177 42.059 -0.028 0.000 1.109 231 L HN 0.688 nan 8.230 nan 0.000 0.462 232 E N 0.815 120.974 120.200 -0.069 0.000 2.320 232 E HA -0.231 4.119 4.350 -0.000 0.000 0.234 232 E C -0.568 175.990 176.600 -0.070 0.000 1.183 232 E CA 0.315 56.671 56.400 -0.073 0.000 0.713 232 E CB -0.700 28.975 29.700 -0.041 0.000 1.226 232 E HN 0.350 nan 8.360 nan 0.000 0.382 233 R N 0.183 120.625 120.500 -0.096 0.000 2.651 233 R HA 0.248 4.588 4.340 -0.000 0.000 0.282 233 R C -2.720 173.508 176.300 -0.120 0.000 1.565 233 R CA -1.847 54.207 56.100 -0.077 0.000 1.661 233 R CB 0.709 30.972 30.300 -0.062 0.000 1.189 233 R HN -0.025 nan 8.270 nan 0.000 0.621 234 P HA 0.019 nan 4.420 nan 0.000 0.271 234 P C -0.275 177.000 177.300 -0.041 0.000 1.226 234 P CA -0.173 62.832 63.100 -0.159 0.000 0.765 234 P CB 0.951 32.571 31.700 -0.133 0.000 0.835 235 V N 5.545 125.443 119.914 -0.026 0.000 2.555 235 V HA 0.051 4.171 4.120 -0.000 0.000 0.286 235 V C 1.729 177.855 176.094 0.054 0.000 1.044 235 V CA 0.432 62.740 62.300 0.012 0.000 1.026 235 V CB 0.349 32.164 31.823 -0.012 0.000 0.981 235 V HN 0.530 nan 8.190 nan 0.000 0.480 236 I N 1.899 122.519 120.570 0.083 0.000 4.323 236 I HA 0.438 4.608 4.170 -0.000 0.000 0.328 236 I C 0.024 176.254 176.117 0.189 0.000 1.310 236 I CA 0.148 61.530 61.300 0.136 0.000 1.186 236 I CB 0.579 38.648 38.000 0.115 0.000 1.130 236 I HN 0.495 nan 8.210 nan 0.000 0.411 237 Y N 1.817 122.084 120.300 -0.055 0.000 2.442 237 Y HA 0.686 5.236 4.550 -0.000 0.000 0.330 237 Y C -1.857 173.971 175.900 -0.121 0.000 1.100 237 Y CA -1.660 56.387 58.100 -0.090 0.000 1.034 237 Y CB 1.683 40.122 38.460 -0.034 0.000 1.285 237 Y HN -0.024 nan 8.280 nan 0.000 0.440 238 I N 5.782 125.939 120.570 -0.688 0.000 2.447 238 I HA 0.294 4.464 4.170 -0.000 0.000 0.287 238 I C -1.303 174.422 176.117 -0.654 0.000 1.023 238 I CA -0.679 60.296 61.300 -0.543 0.000 1.083 238 I CB 1.765 39.588 38.000 -0.296 0.000 1.245 238 I HN 0.513 nan 8.210 nan 0.000 0.434 239 D N 5.889 125.970 120.400 -0.532 0.000 2.381 239 D HA 0.285 4.925 4.640 -0.000 0.000 0.235 239 D C -0.157 176.071 176.300 -0.121 0.000 1.068 239 D CA -0.152 53.642 54.000 -0.343 0.000 0.832 239 D CB 1.701 42.344 40.800 -0.261 0.000 1.101 239 D HN 0.518 nan 8.370 nan 0.000 0.515 240 Q N 1.518 121.287 119.800 -0.052 0.000 2.159 240 Q HA 0.060 4.400 4.340 -0.000 0.000 0.217 240 Q C 1.373 177.370 176.000 -0.005 0.000 0.818 240 Q CA 0.009 55.801 55.803 -0.018 0.000 1.008 240 Q CB 0.884 29.627 28.738 0.007 0.000 1.148 240 Q HN 0.569 nan 8.270 nan 0.000 0.491 241 T N -1.238 113.318 114.554 0.004 0.000 2.904 241 T HA -0.089 4.261 4.350 -0.000 0.000 0.267 241 T C 1.114 175.819 174.700 0.009 0.000 1.059 241 T CA 0.459 62.569 62.100 0.016 0.000 1.137 241 T CB -0.055 68.834 68.868 0.034 0.000 0.879 241 T HN 0.271 nan 8.240 nan 0.000 0.467 242 R N 1.349 121.851 120.500 0.003 0.000 2.730 242 R HA 0.489 4.829 4.340 -0.000 0.000 0.228 242 R C 1.603 177.893 176.300 -0.016 0.000 1.312 242 R CA -0.652 55.446 56.100 -0.002 0.000 1.093 242 R CB 0.405 30.706 30.300 0.002 0.000 1.583 242 R HN 0.068 nan 8.270 nan 0.000 0.535 243 E N 0.324 120.513 120.200 -0.019 0.000 2.153 243 E HA -0.131 4.219 4.350 -0.000 0.000 0.194 243 E C -0.293 176.276 176.600 -0.052 0.000 0.988 243 E CA 1.008 57.388 56.400 -0.032 0.000 0.811 243 E CB -0.366 29.319 29.700 -0.025 0.000 0.746 243 E HN 0.425 nan 8.360 nan 0.000 0.466 244 N N 0.886 119.560 118.700 -0.043 0.000 2.405 244 N HA 0.242 4.982 4.740 -0.000 0.000 0.299 244 N C -0.921 174.563 175.510 -0.044 0.000 1.075 244 N CA -0.567 52.452 53.050 -0.052 0.000 0.884 244 N CB 2.517 40.985 38.487 -0.032 0.000 1.194 244 N HN -0.134 nan 8.380 nan 0.000 0.491 245 V N 2.904 122.786 119.914 -0.054 0.000 2.555 245 V HA 0.222 4.342 4.120 -0.000 0.000 0.286 245 V C 0.409 176.494 176.094 -0.015 0.000 1.044 245 V CA -0.300 61.977 62.300 -0.039 0.000 1.026 245 V CB 0.308 32.110 31.823 -0.036 0.000 0.981 245 V HN 0.353 nan 8.190 nan 0.000 0.480 246 L N 5.735 126.943 121.223 -0.025 0.000 2.287 246 L HA 0.588 4.928 4.340 -0.000 0.000 0.287 246 L C -0.577 176.281 176.870 -0.020 0.000 1.022 246 L CA -0.587 54.254 54.840 0.002 0.000 0.814 246 L CB 1.679 43.751 42.059 0.020 0.000 1.217 246 L HN 0.359 nan 8.230 nan 0.000 0.420 247 V N 2.712 122.660 119.914 0.056 0.000 2.378 247 V HA 0.333 4.453 4.120 -0.000 0.000 0.288 247 V C -0.124 176.070 176.094 0.167 0.000 1.016 247 V CA -0.584 61.754 62.300 0.063 0.000 0.840 247 V CB 1.656 33.515 31.823 0.059 0.000 0.994 247 V HN 0.736 nan 8.190 nan 0.000 0.431 248 E N 2.911 123.212 120.200 0.167 0.000 2.191 248 E HA 0.634 4.984 4.350 -0.000 0.000 0.274 248 E C -0.179 176.525 176.600 0.174 0.000 0.948 248 E CA -0.441 56.088 56.400 0.216 0.000 0.802 248 E CB 1.757 31.626 29.700 0.282 0.000 1.137 248 E HN 0.841 nan 8.360 nan 0.000 0.397 249 T N 0.765 115.419 114.554 0.166 0.000 2.937 249 T HA 0.194 4.544 4.350 -0.000 0.000 0.283 249 T C 0.936 175.652 174.700 0.028 0.000 1.012 249 T CA -0.848 61.309 62.100 0.095 0.000 0.997 249 T CB 0.947 69.878 68.868 0.106 0.000 1.136 249 T HN 0.403 nan 8.240 nan 0.000 0.551 250 L N 1.446 122.653 121.223 -0.026 0.000 2.131 250 L HA 0.015 4.355 4.340 -0.000 0.000 0.210 250 L C 1.819 178.497 176.870 -0.320 0.000 1.092 250 L CA 1.988 56.762 54.840 -0.110 0.000 0.759 250 L CB -1.316 40.713 42.059 -0.050 0.000 0.903 250 L HN 0.910 nan 8.230 nan 0.000 0.435 251 N N -2.656 115.910 118.700 -0.223 0.000 2.370 251 N HA -0.071 4.669 4.740 -0.000 0.000 0.198 251 N C -0.048 175.331 175.510 -0.217 0.000 1.156 251 N CA 0.394 53.289 53.050 -0.259 0.000 0.839 251 N CB -0.523 37.911 38.487 -0.089 0.000 0.989 251 N HN 0.514 nan 8.380 nan 0.000 0.468 252 H N -1.978 117.106 119.070 0.024 0.000 2.936 252 H HA -0.153 4.403 4.556 0.000 0.000 0.276 252 H C -0.877 174.452 175.328 0.002 0.000 1.216 252 H CA 0.446 56.500 56.048 0.010 0.000 1.132 252 H CB -1.925 27.830 29.762 -0.010 0.000 1.303 252 H HN 0.539 nan 8.280 nan 0.000 0.370 253 E N 0.973 121.228 120.200 0.092 0.000 2.331 253 E HA 0.293 4.643 4.350 -0.000 0.000 0.272 253 E C 0.263 176.860 176.600 -0.005 0.000 1.036 253 E CA -0.370 56.030 56.400 0.001 0.000 0.864 253 E CB 0.743 30.458 29.700 0.025 0.000 1.035 253 E HN 0.120 nan 8.360 nan 0.000 0.408 254 M N 2.864 122.362 119.600 -0.169 0.000 2.294 254 M HA 0.331 4.811 4.480 -0.000 0.000 0.335 254 M C -1.337 174.774 176.300 -0.315 0.000 1.079 254 M CA -0.561 54.681 55.300 -0.097 0.000 0.982 254 M CB 0.982 33.557 32.600 -0.042 0.000 1.651 254 M HN 0.479 nan 8.290 nan 0.000 0.437 255 Y N 0.575 120.888 120.300 0.022 0.000 2.376 255 Y HA 0.415 4.965 4.550 -0.000 0.000 0.340 255 Y C 0.016 175.919 175.900 0.006 0.000 0.965 255 Y CA -0.698 57.409 58.100 0.012 0.000 1.078 255 Y CB 1.670 40.135 38.460 0.009 0.000 1.193 255 Y HN 0.563 nan 8.280 nan 0.000 0.452 256 E N 2.132 122.407 120.200 0.125 0.000 2.171 256 E HA 0.840 5.190 4.350 -0.000 0.000 0.271 256 E C -1.361 175.278 176.600 0.065 0.000 0.916 256 E CA -0.672 55.767 56.400 0.066 0.000 0.774 256 E CB 1.162 30.878 29.700 0.027 0.000 1.128 256 E HN 0.768 nan 8.360 nan 0.000 0.403 257 A N 3.704 126.545 122.820 0.035 0.000 2.587 257 A HA 0.331 4.651 4.320 -0.000 0.000 0.293 257 A C 0.035 177.594 177.584 -0.041 0.000 1.087 257 A CA -0.650 51.401 52.037 0.024 0.000 0.692 257 A CB 1.515 20.547 19.000 0.053 0.000 1.291 257 A HN 0.701 nan 8.150 nan 0.000 0.407 258 K N -0.631 119.730 120.400 -0.065 0.000 2.057 258 K HA 0.020 4.340 4.320 -0.000 0.000 0.206 258 K C -0.568 175.715 176.600 -0.530 0.000 1.050 258 K CA 1.710 57.825 56.287 -0.287 0.000 0.935 258 K CB -0.144 32.231 32.500 -0.207 0.000 0.715 258 K HN 0.625 nan 8.250 nan 0.000 0.439 259 Y N -1.407 118.914 120.300 0.035 0.000 2.609 259 Y HA 0.420 4.970 4.550 0.000 0.000 0.342 259 Y C -0.641 175.284 175.900 0.042 0.000 1.058 259 Y CA -1.311 56.826 58.100 0.062 0.000 1.055 259 Y CB 1.819 40.311 38.460 0.053 0.000 1.292 259 Y HN -0.418 nan 8.280 nan 0.000 0.476 260 V N 3.157 123.206 119.914 0.226 0.000 2.656 260 V HA 0.461 4.581 4.120 -0.000 0.000 0.307 260 V C -0.621 175.516 176.094 0.072 0.000 1.051 260 V CA -0.868 61.492 62.300 0.101 0.000 0.893 260 V CB 2.023 33.872 31.823 0.043 0.000 0.999 260 V HN 0.550 nan 8.190 nan 0.000 0.426 261 I N 2.974 123.560 120.570 0.027 0.000 2.330 261 I HA 0.319 4.489 4.170 -0.000 0.000 0.289 261 I C 0.394 176.500 176.117 -0.018 0.000 1.001 261 I CA -0.093 61.204 61.300 -0.006 0.000 1.193 261 I CB 1.777 39.783 38.000 0.009 0.000 1.345 261 I HN 0.589 nan 8.210 nan 0.000 0.461 262 S N 5.413 121.072 115.700 -0.068 0.000 2.400 262 S HA 0.499 4.969 4.470 -0.000 0.000 0.295 262 S C 0.484 175.171 174.600 0.146 0.000 1.113 262 S CA -0.460 57.779 58.200 0.064 0.000 1.064 262 S CB 0.422 63.714 63.200 0.154 0.000 0.990 262 S HN 0.722 nan 8.310 nan 0.000 0.502 263 A N 5.878 128.769 122.820 0.119 0.000 2.793 263 A HA 0.451 4.771 4.320 -0.000 0.000 0.301 263 A C 0.310 177.971 177.584 0.128 0.000 1.172 263 A CA -0.670 51.440 52.037 0.122 0.000 0.973 263 A CB -0.456 18.590 19.000 0.078 0.000 1.164 263 A HN 0.893 nan 8.150 nan 0.000 0.542 264 I N -3.797 116.867 120.570 0.156 0.000 2.750 264 I HA 0.671 4.841 4.170 -0.000 0.000 0.308 264 I C -2.883 173.329 176.117 0.159 0.000 1.016 264 I CA -3.080 58.311 61.300 0.151 0.000 1.098 264 I CB 1.490 39.581 38.000 0.153 0.000 1.279 264 I HN -0.158 nan 8.210 nan 0.000 0.454 265 P HA 0.116 nan 4.420 nan 0.000 0.264 265 P C -2.171 175.185 177.300 0.093 0.000 1.183 265 P CA -0.640 62.529 63.100 0.115 0.000 0.763 265 P CB -0.060 31.695 31.700 0.092 0.000 0.807 266 P HA -0.213 nan 4.420 nan 0.000 0.216 266 P C 1.579 178.866 177.300 -0.022 0.000 1.154 266 P CA 1.817 64.928 63.100 0.019 0.000 0.865 266 P CB -0.226 31.459 31.700 -0.025 0.000 0.789 267 T N -1.430 113.087 114.554 -0.061 0.000 2.962 267 T HA -0.025 4.325 4.350 -0.000 0.000 0.270 267 T C 1.484 176.176 174.700 -0.014 0.000 1.088 267 T CA 0.600 62.652 62.100 -0.080 0.000 1.127 267 T CB -0.775 68.008 68.868 -0.140 0.000 0.883 267 T HN -0.034 nan 8.240 nan 0.000 0.493 268 L N 0.360 121.603 121.223 0.035 0.000 2.551 268 L HA 0.141 4.481 4.340 -0.000 0.000 0.228 268 L C 2.782 179.727 176.870 0.124 0.000 1.153 268 L CA 0.726 55.614 54.840 0.080 0.000 0.851 268 L CB -0.756 41.374 42.059 0.119 0.000 0.959 268 L HN 0.345 nan 8.230 nan 0.000 0.451 269 G N -0.142 108.744 108.800 0.142 0.000 2.479 269 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.220 269 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.220 269 G C 1.599 176.647 174.900 0.248 0.000 1.115 269 G CA 0.221 45.467 45.100 0.245 0.000 0.757 269 G HN 0.149 nan 8.290 nan 0.000 0.560 270 M N 0.320 119.989 119.600 0.116 0.000 2.374 270 M HA 0.029 4.509 4.480 -0.000 0.000 0.264 270 M C 2.076 178.393 176.300 0.028 0.000 1.067 270 M CA 0.933 56.268 55.300 0.058 0.000 1.103 270 M CB -0.438 32.158 32.600 -0.006 0.000 1.402 270 M HN 0.207 nan 8.290 nan 0.000 0.444 271 K N 0.081 120.520 120.400 0.065 0.000 2.525 271 K HA 0.144 4.464 4.320 -0.000 0.000 0.192 271 K C 0.356 177.005 176.600 0.082 0.000 1.029 271 K CA 0.458 56.790 56.287 0.075 0.000 1.029 271 K CB 0.177 32.754 32.500 0.128 0.000 0.814 271 K HN 0.325 nan 8.250 nan 0.000 0.503 272 I N 1.098 121.684 120.570 0.025 0.000 2.404 272 I HA 0.131 4.301 4.170 -0.000 0.000 0.293 272 I C 0.118 176.101 176.117 -0.222 0.000 0.992 272 I CA -0.744 60.486 61.300 -0.117 0.000 1.149 272 I CB 1.414 39.197 38.000 -0.362 0.000 1.315 272 I HN 0.022 nan 8.210 nan 0.000 0.446 273 H N 5.990 124.974 119.070 -0.144 0.000 2.562 273 H HA 0.343 4.899 4.556 -0.000 0.000 0.314 273 H C -1.105 174.149 175.328 -0.123 0.000 1.079 273 H CA -0.190 55.873 56.048 0.025 0.000 1.349 273 H CB 1.146 31.009 29.762 0.168 0.000 1.432 273 H HN 0.319 nan 8.280 nan 0.000 0.479 274 F N 1.962 122.028 119.950 0.192 0.000 2.443 274 F HA 0.166 4.693 4.527 -0.000 0.000 0.335 274 F C 0.618 176.475 175.800 0.094 0.000 1.104 274 F CA -0.702 57.343 58.000 0.076 0.000 1.013 274 F CB 1.286 40.312 39.000 0.044 0.000 1.136 274 F HN 0.466 nan 8.300 nan 0.000 0.470 275 N N 4.430 123.223 118.700 0.156 0.000 2.504 275 N HA 0.416 5.156 4.740 -0.000 0.000 0.280 275 N C -3.047 172.510 175.510 0.078 0.000 1.052 275 N CA -2.313 50.820 53.050 0.138 0.000 0.887 275 N CB 2.127 40.727 38.487 0.187 0.000 1.323 275 N HN 0.070 nan 8.380 nan 0.000 0.509 276 P HA 0.350 nan 4.420 nan 0.000 0.275 276 P C -2.665 174.712 177.300 0.129 0.000 1.266 276 P CA -1.098 62.062 63.100 0.100 0.000 0.793 276 P CB -0.369 31.369 31.700 0.063 0.000 1.074 277 P HA 0.066 nan 4.420 nan 0.000 0.267 277 P C 0.102 177.417 177.300 0.025 0.000 1.200 277 P CA 0.318 63.478 63.100 0.100 0.000 0.772 277 P CB 0.140 31.881 31.700 0.067 0.000 0.855 278 L N 3.799 124.988 121.223 -0.057 0.000 2.499 278 L HA 0.095 4.435 4.340 -0.000 0.000 0.281 278 L C -1.617 175.200 176.870 -0.089 0.000 1.234 278 L CA -1.447 53.291 54.840 -0.171 0.000 0.839 278 L CB -0.738 41.125 42.059 -0.327 0.000 1.104 278 L HN 0.312 nan 8.230 nan 0.000 0.500 279 P HA -0.042 nan 4.420 nan 0.000 0.270 279 P C 0.686 177.954 177.300 -0.054 0.000 1.223 279 P CA -0.294 62.772 63.100 -0.056 0.000 0.785 279 P CB 0.458 32.124 31.700 -0.056 0.000 0.923 280 M N 1.364 120.944 119.600 -0.033 0.000 2.089 280 M HA -0.233 4.247 4.480 -0.000 0.000 0.257 280 M C 1.285 177.589 176.300 0.005 0.000 1.071 280 M CA 2.302 57.592 55.300 -0.016 0.000 1.096 280 M CB -0.363 32.228 32.600 -0.015 0.000 1.330 280 M HN 0.222 nan 8.290 nan 0.000 0.403 281 M N -0.670 118.926 119.600 -0.007 0.000 2.132 281 M HA -0.164 4.316 4.480 -0.000 0.000 0.263 281 M C 2.233 178.570 176.300 0.062 0.000 1.065 281 M CA 1.735 57.063 55.300 0.047 0.000 1.122 281 M CB -1.529 31.039 32.600 -0.053 0.000 1.365 281 M HN 0.392 nan 8.290 nan 0.000 0.411 282 R N 0.438 120.906 120.500 -0.054 0.000 2.075 282 R HA -0.168 4.172 4.340 -0.000 0.000 0.232 282 R C 2.027 178.246 176.300 -0.136 0.000 1.126 282 R CA 1.749 57.770 56.100 -0.131 0.000 0.963 282 R CB -0.230 29.939 30.300 -0.219 0.000 0.858 282 R HN 0.338 nan 8.270 nan 0.000 0.435 283 N N 0.389 119.024 118.700 -0.108 0.000 2.061 283 N HA -0.229 4.511 4.740 -0.000 0.000 0.193 283 N C 1.564 177.016 175.510 -0.097 0.000 1.030 283 N CA 1.974 54.968 53.050 -0.094 0.000 0.856 283 N CB 0.020 38.473 38.487 -0.056 0.000 1.023 283 N HN 0.371 nan 8.380 nan 0.000 0.424 284 Q N -1.093 118.660 119.800 -0.078 0.000 2.163 284 Q HA -0.040 4.300 4.340 -0.000 0.000 0.198 284 Q C 1.987 177.762 176.000 -0.376 0.000 0.954 284 Q CA 0.585 56.293 55.803 -0.159 0.000 0.851 284 Q CB -0.124 28.592 28.738 -0.036 0.000 0.928 284 Q HN 0.485 nan 8.270 nan 0.000 0.459 285 M N 1.742 121.134 119.600 -0.347 0.000 2.082 285 M HA -0.177 4.303 4.480 -0.000 0.000 0.258 285 M C 2.054 178.139 176.300 -0.359 0.000 1.069 285 M CA 1.692 56.733 55.300 -0.430 0.000 1.102 285 M CB -0.502 32.008 32.600 -0.149 0.000 1.336 285 M HN 0.307 nan 8.290 nan 0.000 0.404 286 I N -1.615 118.803 120.570 -0.254 0.000 3.083 286 I HA -0.108 4.062 4.170 -0.000 0.000 0.273 286 I C 1.594 177.584 176.117 -0.212 0.000 1.297 286 I CA 1.482 62.657 61.300 -0.209 0.000 1.452 286 I CB -1.091 36.830 38.000 -0.132 0.000 1.078 286 I HN 0.324 nan 8.210 nan 0.000 0.484 287 T N -2.407 112.000 114.554 -0.244 0.000 3.060 287 T HA 0.249 4.599 4.350 -0.000 0.000 0.249 287 T C 1.609 176.141 174.700 -0.280 0.000 1.079 287 T CA -0.119 61.848 62.100 -0.222 0.000 1.013 287 T CB -0.033 68.726 68.868 -0.182 0.000 0.975 287 T HN 0.397 nan 8.240 nan 0.000 0.518 288 R N 0.924 121.198 120.500 -0.377 0.000 2.437 288 R HA 0.311 4.651 4.340 -0.000 0.000 0.257 288 R C -0.018 175.960 176.300 -0.538 0.000 0.927 288 R CA 0.028 55.870 56.100 -0.431 0.000 1.078 288 R CB 1.241 31.221 30.300 -0.532 0.000 1.161 288 R HN 0.437 nan 8.270 nan 0.000 0.529 289 V N -0.422 119.159 119.914 -0.555 0.000 2.313 289 V HA 0.481 4.601 4.120 -0.000 0.000 0.262 289 V C -2.655 173.081 176.094 -0.596 0.000 1.011 289 V CA -2.403 59.458 62.300 -0.733 0.000 0.858 289 V CB 0.666 32.019 31.823 -0.784 0.000 1.104 289 V HN -0.117 nan 8.190 nan 0.000 0.456 290 P HA 0.519 nan 4.420 nan 0.000 0.276 290 P C -0.700 176.265 177.300 -0.557 0.000 1.252 290 P CA -0.378 62.386 63.100 -0.560 0.000 0.802 290 P CB 1.849 33.212 31.700 -0.561 0.000 1.035 291 L N 0.374 121.453 121.223 -0.240 0.000 2.344 291 L HA 0.585 4.925 4.340 -0.000 0.000 0.272 291 L C 1.469 178.390 176.870 0.084 0.000 1.035 291 L CA -0.232 54.567 54.840 -0.069 0.000 0.807 291 L CB 0.579 42.632 42.059 -0.010 0.000 1.237 291 L HN 0.468 nan 8.230 nan 0.000 0.442 292 G N 0.102 108.986 108.800 0.141 0.000 2.683 292 G HA2 0.405 4.365 3.960 -0.000 0.000 0.260 292 G HA3 0.405 4.365 3.960 -0.000 0.000 0.260 292 G C -0.745 174.157 174.900 0.004 0.000 1.238 292 G CA -0.397 44.752 45.100 0.081 0.000 0.934 292 G HN 0.520 nan 8.290 nan 0.000 0.534 293 S N -1.325 114.348 115.700 -0.044 0.000 2.552 293 S HA 0.580 5.050 4.470 -0.000 0.000 0.314 293 S C -0.961 173.619 174.600 -0.033 0.000 1.099 293 S CA -0.549 57.649 58.200 -0.004 0.000 1.070 293 S CB 1.704 64.915 63.200 0.019 0.000 0.998 293 S HN 0.777 nan 8.310 nan 0.000 0.474 294 V N 4.746 124.689 119.914 0.048 0.000 2.969 294 V HA 0.564 4.684 4.120 -0.000 0.000 0.304 294 V C -1.850 174.400 176.094 0.260 0.000 1.192 294 V CA -0.766 61.598 62.300 0.107 0.000 0.962 294 V CB 1.740 33.561 31.823 -0.002 0.000 1.045 294 V HN 0.897 nan 8.190 nan 0.000 0.428 295 I N 5.561 126.296 120.570 0.276 0.000 2.378 295 I HA 0.519 4.689 4.170 -0.000 0.000 0.291 295 I C -0.167 176.192 176.117 0.402 0.000 0.992 295 I CA -0.590 60.892 61.300 0.304 0.000 1.154 295 I CB 1.688 39.809 38.000 0.201 0.000 1.315 295 I HN 0.490 nan 8.210 nan 0.000 0.448 296 K N 5.840 126.510 120.400 0.450 0.000 2.211 296 K HA 0.591 4.911 4.320 -0.000 0.000 0.275 296 K C -1.491 175.235 176.600 0.211 0.000 1.024 296 K CA -0.346 56.191 56.287 0.417 0.000 0.887 296 K CB 1.037 33.853 32.500 0.526 0.000 1.084 296 K HN 0.693 nan 8.250 nan 0.000 0.463 297 C N 5.259 124.640 119.300 0.135 0.000 2.441 297 C HA 0.562 5.022 4.460 -0.000 0.000 0.318 297 C C -0.851 174.166 174.990 0.045 0.000 1.222 297 C CA -1.094 57.976 59.018 0.087 0.000 1.474 297 C CB 0.096 27.991 27.740 0.260 0.000 2.125 297 C HN 0.716 nan 8.230 nan 0.000 0.479 298 I N 3.095 123.638 120.570 -0.044 0.000 2.410 298 I HA 0.410 4.580 4.170 -0.000 0.000 0.286 298 I C -0.242 175.887 176.117 0.019 0.000 1.009 298 I CA -0.139 61.115 61.300 -0.076 0.000 1.111 298 I CB 1.414 39.324 38.000 -0.151 0.000 1.262 298 I HN 0.358 nan 8.210 nan 0.000 0.443 299 V N 6.861 126.809 119.914 0.056 0.000 2.370 299 V HA 0.363 4.483 4.120 -0.000 0.000 0.279 299 V C -0.540 175.450 176.094 -0.173 0.000 1.029 299 V CA -0.695 61.670 62.300 0.107 0.000 0.870 299 V CB 0.545 32.474 31.823 0.177 0.000 0.984 299 V HN 0.400 nan 8.190 nan 0.000 0.451 300 Y N 4.306 124.586 120.300 -0.033 0.000 2.320 300 Y HA 0.646 5.196 4.550 -0.000 0.000 0.324 300 Y C -0.184 175.603 175.900 -0.187 0.000 1.190 300 Y CA -0.369 57.751 58.100 0.033 0.000 1.215 300 Y CB 1.108 39.668 38.460 0.166 0.000 1.221 300 Y HN 0.528 nan 8.280 nan 0.000 0.486 301 Y N -0.230 120.331 120.300 0.435 0.000 2.605 301 Y HA 0.289 4.839 4.550 -0.000 0.000 0.343 301 Y C 1.121 177.176 175.900 0.258 0.000 1.036 301 Y CA -1.409 56.918 58.100 0.379 0.000 1.065 301 Y CB 1.858 40.651 38.460 0.556 0.000 1.288 301 Y HN 0.488 nan 8.280 nan 0.000 0.481 302 K N 0.366 120.987 120.400 0.368 0.000 2.097 302 K HA -0.051 4.269 4.320 -0.000 0.000 0.206 302 K C -0.591 176.087 176.600 0.130 0.000 1.049 302 K CA 1.601 57.999 56.287 0.186 0.000 0.933 302 K CB 0.219 32.798 32.500 0.131 0.000 0.717 302 K HN 0.741 nan 8.250 nan 0.000 0.442 303 E N -0.616 119.682 120.200 0.163 0.000 2.383 303 E HA 0.195 4.545 4.350 -0.000 0.000 0.275 303 E C -2.667 173.807 176.600 -0.211 0.000 0.918 303 E CA -2.240 54.159 56.400 -0.000 0.000 0.764 303 E CB 2.289 31.985 29.700 -0.007 0.000 1.252 303 E HN -0.061 nan 8.360 nan 0.000 0.449 304 P HA 0.037 nan 4.420 nan 0.000 0.226 304 P C 0.327 176.695 177.300 -1.553 0.000 1.783 304 P CA -0.073 62.075 63.100 -1.587 0.000 0.980 304 P CB -0.945 30.146 31.700 -1.014 0.000 1.967 305 F N -0.182 119.233 119.950 -0.893 0.000 2.236 305 F HA -0.152 4.375 4.527 -0.000 0.000 0.302 305 F C 1.690 177.329 175.800 -0.268 0.000 1.073 305 F CA 0.131 57.884 58.000 -0.411 0.000 1.336 305 F CB -1.855 37.029 39.000 -0.192 0.000 1.040 305 F HN 0.129 nan 8.300 nan 0.000 0.507 306 W N 1.256 122.214 121.300 -0.569 0.000 2.374 306 W HA 0.040 4.700 4.660 0.000 0.000 0.288 306 W C 2.059 178.529 176.519 -0.081 0.000 1.218 306 W CA 0.849 58.049 57.345 -0.241 0.000 1.245 306 W CB -1.138 28.097 29.460 -0.374 0.000 1.126 306 W HN -0.133 nan 8.180 nan 0.000 0.545 307 R N 1.168 121.475 120.500 -0.321 0.000 2.120 307 R HA -0.082 4.258 4.340 -0.000 0.000 0.234 307 R C 2.066 178.287 176.300 -0.132 0.000 1.123 307 R CA 1.730 57.729 56.100 -0.169 0.000 0.975 307 R CB -0.415 29.728 30.300 -0.262 0.000 0.866 307 R HN 0.275 nan 8.270 nan 0.000 0.446 308 K N 0.606 120.923 120.400 -0.138 0.000 2.211 308 K HA -0.102 4.218 4.320 -0.000 0.000 0.203 308 K C 1.430 177.969 176.600 -0.101 0.000 1.050 308 K CA 1.005 57.236 56.287 -0.093 0.000 0.945 308 K CB 0.075 32.541 32.500 -0.057 0.000 0.732 308 K HN 0.086 nan 8.250 nan 0.000 0.451 309 K N 0.867 121.189 120.400 -0.129 0.000 2.458 309 K HA -0.043 4.277 4.320 -0.000 0.000 0.194 309 K C -0.500 175.784 176.600 -0.527 0.000 1.024 309 K CA 0.126 56.235 56.287 -0.297 0.000 1.108 309 K CB 0.238 32.562 32.500 -0.293 0.000 0.846 309 K HN 0.026 nan 8.250 nan 0.000 0.518 310 D N 0.073 120.297 120.400 -0.294 0.000 2.746 310 D HA -0.216 4.424 4.640 -0.000 0.000 0.236 310 D C -1.472 174.719 176.300 -0.182 0.000 1.129 310 D CA 0.866 54.741 54.000 -0.208 0.000 0.691 310 D CB -1.355 39.342 40.800 -0.172 0.000 1.077 310 D HN 0.324 nan 8.370 nan 0.000 0.432 311 Y N -0.848 119.478 120.300 0.044 0.000 2.364 311 Y HA 0.318 4.868 4.550 0.000 0.000 0.340 311 Y C 1.968 177.933 175.900 0.107 0.000 0.975 311 Y CA -0.953 57.174 58.100 0.045 0.000 1.089 311 Y CB 1.330 39.827 38.460 0.061 0.000 1.192 311 Y HN 0.263 nan 8.280 nan 0.000 0.454 312 C N -0.957 118.456 119.300 0.189 0.000 2.468 312 C HA 0.451 4.911 4.460 -0.000 0.000 0.277 312 C C 1.717 176.779 174.990 0.120 0.000 1.400 312 C CA 0.716 59.819 59.018 0.143 0.000 1.770 312 C CB -0.848 26.905 27.740 0.021 0.000 1.905 312 C HN 1.217 nan 8.230 nan 0.000 0.519 313 G N -0.411 108.311 108.800 -0.131 0.000 2.296 313 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.188 313 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.188 313 G C 0.028 174.603 174.900 -0.543 0.000 1.000 313 G CA 0.148 44.877 45.100 -0.617 0.000 0.672 313 G HN 0.539 nan 8.290 nan 0.000 0.483 314 T N 2.401 116.732 114.554 -0.372 0.000 2.779 314 T HA 0.620 4.970 4.350 -0.000 0.000 0.296 314 T C 0.257 174.747 174.700 -0.349 0.000 0.938 314 T CA 0.634 62.495 62.100 -0.398 0.000 1.119 314 T CB 0.843 69.536 68.868 -0.293 0.000 0.891 314 T HN 0.279 nan 8.240 nan 0.000 0.526 315 M N 3.936 123.313 119.600 -0.372 0.000 2.327 315 M HA 0.481 4.961 4.480 -0.000 0.000 0.298 315 M C -0.865 175.422 176.300 -0.022 0.000 1.065 315 M CA -0.556 54.636 55.300 -0.180 0.000 0.916 315 M CB 2.249 34.712 32.600 -0.227 0.000 1.630 315 M HN 0.421 nan 8.290 nan 0.000 0.442 316 I N 4.842 125.549 120.570 0.230 0.000 2.330 316 I HA 0.409 4.579 4.170 -0.000 0.000 0.286 316 I C -0.831 175.545 176.117 0.431 0.000 1.025 316 I CA -0.292 61.256 61.300 0.413 0.000 1.197 316 I CB 0.712 39.004 38.000 0.487 0.000 1.358 316 I HN 0.596 nan 8.210 nan 0.000 0.467 317 I N 5.223 126.001 120.570 0.347 0.000 2.359 317 I HA 0.278 4.448 4.170 -0.000 0.000 0.284 317 I C -0.499 175.795 176.117 0.296 0.000 1.018 317 I CA -0.433 61.050 61.300 0.304 0.000 1.173 317 I CB 1.175 39.289 38.000 0.190 0.000 1.326 317 I HN 0.426 nan 8.210 nan 0.000 0.462 318 D N 5.279 125.859 120.400 0.299 0.000 2.233 318 D HA 0.719 5.359 4.640 -0.000 0.000 0.240 318 D C -0.135 176.286 176.300 0.200 0.000 1.074 318 D CA 0.109 54.253 54.000 0.240 0.000 0.838 318 D CB 1.796 42.738 40.800 0.237 0.000 1.124 318 D HN 0.793 nan 8.370 nan 0.000 0.475 319 G N 2.998 111.899 108.800 0.168 0.000 2.277 319 G HA2 0.014 3.974 3.960 -0.000 0.000 0.272 319 G HA3 0.014 3.974 3.960 -0.000 0.000 0.272 319 G C 0.348 175.326 174.900 0.130 0.000 1.692 319 G CA -0.404 44.780 45.100 0.141 0.000 0.926 319 G HN 0.334 nan 8.290 nan 0.000 0.720 320 E N 0.664 120.934 120.200 0.116 0.000 2.204 320 E HA -0.096 4.254 4.350 -0.000 0.000 0.195 320 E C 2.048 178.708 176.600 0.099 0.000 0.990 320 E CA 2.401 58.876 56.400 0.125 0.000 0.821 320 E CB 0.149 29.920 29.700 0.119 0.000 0.750 320 E HN 0.660 nan 8.360 nan 0.000 0.477 321 E N 0.255 120.506 120.200 0.086 0.000 2.204 321 E HA 0.041 4.391 4.350 -0.000 0.000 0.194 321 E C 0.399 177.030 176.600 0.053 0.000 0.989 321 E CA 0.923 57.362 56.400 0.065 0.000 0.824 321 E CB -0.302 29.436 29.700 0.064 0.000 0.756 321 E HN 0.270 nan 8.360 nan 0.000 0.477 322 A N 2.655 125.518 122.820 0.072 0.000 2.395 322 A HA 0.215 4.535 4.320 -0.000 0.000 0.286 322 A C -1.435 176.178 177.584 0.048 0.000 1.193 322 A CA -1.317 50.755 52.037 0.059 0.000 0.852 322 A CB 0.225 19.283 19.000 0.097 0.000 1.118 322 A HN -0.024 nan 8.150 nan 0.000 0.524 323 P HA -0.080 nan 4.420 nan 0.000 0.216 323 P C 0.342 177.678 177.300 0.059 0.000 1.150 323 P CA 1.090 64.198 63.100 0.014 0.000 0.837 323 P CB 0.053 31.743 31.700 -0.016 0.000 0.786 324 V N 0.082 120.051 119.914 0.092 0.000 2.398 324 V HA 0.458 4.578 4.120 -0.000 0.000 0.286 324 V C 1.241 177.456 176.094 0.201 0.000 1.026 324 V CA -0.009 62.395 62.300 0.174 0.000 0.868 324 V CB 1.217 33.175 31.823 0.225 0.000 0.982 324 V HN -0.002 nan 8.190 nan 0.000 0.443 325 A N 4.394 127.363 122.820 0.249 0.000 2.169 325 A HA 0.312 4.632 4.320 -0.000 0.000 0.210 325 A C 0.171 177.983 177.584 0.379 0.000 1.168 325 A CA 0.530 52.735 52.037 0.279 0.000 0.813 325 A CB 0.185 19.340 19.000 0.257 0.000 0.861 325 A HN 0.740 nan 8.150 nan 0.000 0.481 326 Y N -0.015 120.411 120.300 0.210 0.000 2.442 326 Y HA 0.472 5.021 4.550 0.000 0.000 0.330 326 Y C -0.328 175.613 175.900 0.068 0.000 1.100 326 Y CA -0.453 57.753 58.100 0.176 0.000 1.034 326 Y CB 1.563 40.189 38.460 0.277 0.000 1.285 326 Y HN 0.127 nan 8.280 nan 0.000 0.440 327 T N 3.992 118.219 114.554 -0.545 0.000 2.916 327 T HA 0.882 5.232 4.350 -0.000 0.000 0.292 327 T C -1.516 172.731 174.700 -0.754 0.000 1.055 327 T CA -0.788 60.974 62.100 -0.562 0.000 1.009 327 T CB 1.835 70.360 68.868 -0.572 0.000 1.118 327 T HN 0.612 nan 8.240 nan 0.000 0.497 328 L N 0.980 121.886 121.223 -0.529 0.000 2.424 328 L HA 0.484 4.824 4.340 -0.000 0.000 0.258 328 L C -0.741 175.927 176.870 -0.336 0.000 0.995 328 L CA -1.262 53.332 54.840 -0.411 0.000 0.821 328 L CB 2.308 44.199 42.059 -0.280 0.000 1.383 328 L HN 0.754 nan 8.230 nan 0.000 0.410 329 D N 0.879 121.123 120.400 -0.261 0.000 2.450 329 D HA -0.033 4.607 4.640 -0.000 0.000 0.247 329 D C -0.305 176.006 176.300 0.017 0.000 1.162 329 D CA 0.656 54.586 54.000 -0.117 0.000 0.879 329 D CB 1.227 42.082 40.800 0.093 0.000 1.163 329 D HN 0.523 nan 8.370 nan 0.000 0.472 330 D N 1.697 122.118 120.400 0.035 0.000 2.513 330 D HA 0.073 4.713 4.640 -0.000 0.000 0.222 330 D C -0.375 175.999 176.300 0.124 0.000 1.210 330 D CA -0.166 53.877 54.000 0.071 0.000 0.825 330 D CB 0.427 41.206 40.800 -0.034 0.000 1.037 330 D HN 0.233 nan 8.370 nan 0.000 0.506 331 T N 1.600 116.270 114.554 0.194 0.000 2.946 331 T HA -0.008 4.342 4.350 -0.000 0.000 0.312 331 T C 0.538 175.317 174.700 0.132 0.000 1.066 331 T CA 0.010 62.223 62.100 0.188 0.000 1.138 331 T CB 0.743 69.725 68.868 0.191 0.000 1.014 331 T HN -0.042 nan 8.240 nan 0.000 0.544 332 K N 3.869 124.311 120.400 0.069 0.000 2.380 332 K HA 0.055 4.375 4.320 -0.000 0.000 0.267 332 K C -1.360 175.153 176.600 -0.145 0.000 0.990 332 K CA -1.617 54.622 56.287 -0.080 0.000 0.946 332 K CB 0.193 32.668 32.500 -0.041 0.000 0.937 332 K HN 0.365 nan 8.250 nan 0.000 0.491 333 P HA -0.116 nan 4.420 nan 0.000 0.220 333 P C 0.289 177.521 177.300 -0.114 0.000 1.148 333 P CA 1.303 64.213 63.100 -0.317 0.000 0.803 333 P CB 0.326 31.689 31.700 -0.563 0.000 0.782 334 E N -0.801 119.349 120.200 -0.084 0.000 2.418 334 E HA 0.131 4.481 4.350 -0.000 0.000 0.197 334 E C 1.578 178.174 176.600 -0.007 0.000 1.026 334 E CA 1.001 57.388 56.400 -0.023 0.000 0.862 334 E CB -0.811 28.894 29.700 0.009 0.000 0.799 334 E HN 0.318 nan 8.360 nan 0.000 0.518 335 G N 0.642 109.440 108.800 -0.003 0.000 2.176 335 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.232 335 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.232 335 G C 0.063 174.968 174.900 0.008 0.000 0.986 335 G CA 0.218 45.316 45.100 -0.003 0.000 0.643 335 G HN 0.368 nan 8.290 nan 0.000 0.522 336 N N -0.711 118.020 118.700 0.051 0.000 2.530 336 N HA 0.546 5.286 4.740 -0.000 0.000 0.283 336 N C 0.464 176.099 175.510 0.208 0.000 1.238 336 N CA -0.935 52.140 53.050 0.042 0.000 0.971 336 N CB 0.041 38.493 38.487 -0.058 0.000 1.195 336 N HN 0.589 nan 8.380 nan 0.000 0.583 337 Y N -2.739 117.595 120.300 0.056 0.000 3.168 337 Y HA -0.167 4.383 4.550 0.000 0.000 0.207 337 Y C 0.521 176.558 175.900 0.229 0.000 1.280 337 Y CA 0.232 58.420 58.100 0.148 0.000 1.235 337 Y CB -2.384 36.134 38.460 0.096 0.000 1.370 337 Y HN 0.765 nan 8.280 nan 0.000 0.537 338 A N 0.327 123.315 122.820 0.281 0.000 2.580 338 A HA 0.487 4.807 4.320 -0.000 0.000 0.244 338 A C 0.754 178.593 177.584 0.425 0.000 1.045 338 A CA 0.682 52.896 52.037 0.296 0.000 0.761 338 A CB -0.060 19.046 19.000 0.176 0.000 0.962 338 A HN 1.436 nan 8.150 nan 0.000 0.512 339 A N 3.124 126.176 122.820 0.388 0.000 2.549 339 A HA 0.676 4.996 4.320 -0.000 0.000 0.297 339 A C -0.778 176.806 177.584 0.000 0.000 1.061 339 A CA -0.533 51.537 52.037 0.055 0.000 0.690 339 A CB 1.101 19.840 19.000 -0.435 0.000 1.287 339 A HN 0.705 nan 8.150 nan 0.000 0.402 340 I N 2.883 123.356 120.570 -0.161 0.000 2.362 340 I HA 0.330 4.500 4.170 -0.000 0.000 0.289 340 I C -0.255 175.710 176.117 -0.253 0.000 0.994 340 I CA -0.344 60.725 61.300 -0.385 0.000 1.158 340 I CB 1.619 39.264 38.000 -0.592 0.000 1.315 340 I HN 0.702 nan 8.210 nan 0.000 0.451 341 M N 5.686 125.126 119.600 -0.266 0.000 2.188 341 M HA 0.605 5.085 4.480 -0.000 0.000 0.357 341 M C -0.306 175.835 176.300 -0.265 0.000 1.204 341 M CA -0.121 55.051 55.300 -0.212 0.000 1.095 341 M CB 1.160 33.659 32.600 -0.168 0.000 1.604 341 M HN 0.710 nan 8.290 nan 0.000 0.464 342 G N 4.483 113.179 108.800 -0.174 0.000 2.667 342 G HA2 0.681 4.641 3.960 -0.000 0.000 0.298 342 G HA3 0.681 4.641 3.960 -0.000 0.000 0.298 342 G C -1.977 172.870 174.900 -0.088 0.000 1.377 342 G CA -0.554 44.482 45.100 -0.107 0.000 0.964 342 G HN 0.650 nan 8.290 nan 0.000 0.493 343 F N 0.755 120.854 119.950 0.249 0.000 2.427 343 F HA 0.492 5.019 4.527 0.000 0.000 0.346 343 F C 0.551 176.469 175.800 0.196 0.000 1.120 343 F CA -0.765 57.385 58.000 0.250 0.000 1.033 343 F CB 2.107 41.288 39.000 0.301 0.000 1.126 343 F HN 0.059 nan 8.300 nan 0.000 0.462 344 I N 5.208 125.994 120.570 0.360 0.000 2.304 344 I HA 0.270 4.440 4.170 -0.000 0.000 0.291 344 I C -0.644 175.569 176.117 0.160 0.000 1.018 344 I CA -0.326 61.100 61.300 0.210 0.000 1.260 344 I CB 0.856 38.944 38.000 0.147 0.000 1.390 344 I HN 0.399 nan 8.210 nan 0.000 0.475 345 L N 6.551 127.830 121.223 0.095 0.000 2.317 345 L HA 0.693 5.033 4.340 -0.000 0.000 0.281 345 L C 0.929 177.779 176.870 -0.034 0.000 1.024 345 L CA -0.196 54.661 54.840 0.028 0.000 0.810 345 L CB 1.540 43.626 42.059 0.046 0.000 1.240 345 L HN 0.930 nan 8.230 nan 0.000 0.427 346 A N 2.237 125.027 122.820 -0.049 0.000 5.308 346 A HA -0.369 3.951 4.320 -0.000 0.000 0.321 346 A C 1.672 179.257 177.584 0.002 0.000 1.849 346 A CA 1.537 53.552 52.037 -0.036 0.000 0.713 346 A CB -1.591 17.385 19.000 -0.039 0.000 1.360 346 A HN 1.086 nan 8.150 nan 0.000 0.384 347 H N 1.142 120.203 119.070 -0.015 0.000 2.489 347 H HA -0.005 4.551 4.556 -0.000 0.000 0.293 347 H C 1.640 176.986 175.328 0.030 0.000 1.066 347 H CA 1.851 57.908 56.048 0.015 0.000 1.305 347 H CB -0.326 29.453 29.762 0.029 0.000 1.386 347 H HN 0.733 nan 8.280 nan 0.000 0.551 348 K N 0.593 120.673 120.400 -0.534 0.000 2.167 348 K HA 0.115 4.435 4.320 -0.000 0.000 0.203 348 K C 2.600 179.137 176.600 -0.105 0.000 1.052 348 K CA 0.789 56.867 56.287 -0.348 0.000 0.956 348 K CB 0.095 32.413 32.500 -0.303 0.000 0.735 348 K HN 0.296 nan 8.250 nan 0.000 0.451 349 A N 1.603 124.395 122.820 -0.047 0.000 1.877 349 A HA -0.197 4.123 4.320 -0.000 0.000 0.216 349 A C 2.082 179.680 177.584 0.023 0.000 1.186 349 A CA 1.480 53.529 52.037 0.020 0.000 0.620 349 A CB -0.374 18.654 19.000 0.046 0.000 0.822 349 A HN 0.113 nan 8.150 nan 0.000 0.443 350 R N -0.242 120.270 120.500 0.020 0.000 2.080 350 R HA -0.142 4.198 4.340 -0.000 0.000 0.236 350 R C 2.370 178.686 176.300 0.028 0.000 1.137 350 R CA 2.097 58.217 56.100 0.034 0.000 0.943 350 R CB -0.330 30.003 30.300 0.055 0.000 0.846 350 R HN 0.645 nan 8.270 nan 0.000 0.431 351 K N 0.361 120.771 120.400 0.017 0.000 2.025 351 K HA -0.076 4.244 4.320 -0.000 0.000 0.207 351 K C 1.746 178.353 176.600 0.012 0.000 1.049 351 K CA 1.298 57.596 56.287 0.019 0.000 0.933 351 K CB -0.031 32.479 32.500 0.016 0.000 0.714 351 K HN 0.153 nan 8.250 nan 0.000 0.438 352 L N 0.455 121.680 121.223 0.004 0.000 2.478 352 L HA 0.023 4.363 4.340 -0.000 0.000 0.223 352 L C 2.314 179.198 176.870 0.024 0.000 1.140 352 L CA 0.431 55.279 54.840 0.012 0.000 0.842 352 L CB -0.322 41.745 42.059 0.012 0.000 0.953 352 L HN 0.233 nan 8.230 nan 0.000 0.452 353 A N 0.410 123.247 122.820 0.028 0.000 2.121 353 A HA -0.144 4.176 4.320 -0.000 0.000 0.218 353 A C 2.336 179.934 177.584 0.022 0.000 1.154 353 A CA 0.940 52.995 52.037 0.031 0.000 0.679 353 A CB -0.364 18.654 19.000 0.031 0.000 0.795 353 A HN 0.356 nan 8.150 nan 0.000 0.458 354 R N -0.608 119.903 120.500 0.018 0.000 2.148 354 R HA 0.087 4.427 4.340 -0.000 0.000 0.227 354 R C 0.295 176.602 176.300 0.011 0.000 1.103 354 R CA 0.266 56.375 56.100 0.014 0.000 0.983 354 R CB -0.420 29.888 30.300 0.014 0.000 0.874 354 R HN 0.440 nan 8.270 nan 0.000 0.451 355 L N 0.721 121.951 121.223 0.012 0.000 2.479 355 L HA 0.102 4.442 4.340 -0.000 0.000 0.248 355 L C 1.025 177.901 176.870 0.011 0.000 1.205 355 L CA -0.403 54.441 54.840 0.007 0.000 0.817 355 L CB 0.342 42.401 42.059 -0.000 0.000 1.162 355 L HN 0.131 nan 8.230 nan 0.000 0.486 356 T N -3.023 111.534 114.554 0.005 0.000 2.874 356 T HA 0.133 4.483 4.350 -0.000 0.000 0.281 356 T C 0.864 175.577 174.700 0.021 0.000 0.994 356 T CA -0.747 61.360 62.100 0.012 0.000 1.015 356 T CB 1.377 70.247 68.868 0.003 0.000 1.028 356 T HN 0.636 nan 8.240 nan 0.000 0.523 357 K N 0.312 120.742 120.400 0.048 0.000 2.089 357 K HA -0.236 4.084 4.320 -0.000 0.000 0.210 357 K C 1.896 178.497 176.600 0.003 0.000 1.048 357 K CA 2.019 58.369 56.287 0.104 0.000 0.926 357 K CB -0.162 32.418 32.500 0.134 0.000 0.714 357 K HN 0.696 nan 8.250 nan 0.000 0.448 358 E N 0.417 120.600 120.200 -0.028 0.000 2.107 358 E HA -0.125 4.225 4.350 -0.000 0.000 0.191 358 E C 1.781 178.314 176.600 -0.113 0.000 0.982 358 E CA 1.258 57.608 56.400 -0.083 0.000 0.809 358 E CB 0.087 29.760 29.700 -0.045 0.000 0.756 358 E HN 0.378 nan 8.360 nan 0.000 0.459 359 E N 0.256 120.412 120.200 -0.073 0.000 2.072 359 E HA -0.117 4.233 4.350 -0.000 0.000 0.191 359 E C 2.135 178.674 176.600 -0.101 0.000 0.985 359 E CA 0.676 57.033 56.400 -0.072 0.000 0.801 359 E CB -0.011 29.666 29.700 -0.039 0.000 0.750 359 E HN 0.108 nan 8.360 nan 0.000 0.452 360 R N 0.383 120.825 120.500 -0.098 0.000 2.073 360 R HA -0.155 4.185 4.340 -0.000 0.000 0.234 360 R C 2.518 178.657 176.300 -0.268 0.000 1.134 360 R CA 1.008 57.041 56.100 -0.112 0.000 0.952 360 R CB -0.454 29.845 30.300 -0.002 0.000 0.850 360 R HN 0.130 nan 8.270 nan 0.000 0.433 361 L N 1.804 122.722 121.223 -0.509 0.000 2.013 361 L HA -0.244 4.096 4.340 -0.000 0.000 0.212 361 L C 2.200 178.848 176.870 -0.370 0.000 1.073 361 L CA 1.940 56.339 54.840 -0.735 0.000 0.753 361 L CB -0.490 41.047 42.059 -0.869 0.000 0.890 361 L HN 0.025 nan 8.230 nan 0.000 0.432 362 K N -0.487 119.765 120.400 -0.247 0.000 2.009 362 K HA -0.228 4.092 4.320 -0.000 0.000 0.210 362 K C 2.223 178.733 176.600 -0.151 0.000 1.049 362 K CA 1.863 58.056 56.287 -0.156 0.000 0.929 362 K CB -0.144 32.291 32.500 -0.108 0.000 0.714 362 K HN 0.328 nan 8.250 nan 0.000 0.440 363 K N 0.182 120.491 120.400 -0.151 0.000 2.103 363 K HA -0.159 4.161 4.320 -0.000 0.000 0.207 363 K C 2.090 178.560 176.600 -0.217 0.000 1.048 363 K CA 1.106 57.308 56.287 -0.141 0.000 0.930 363 K CB -0.078 32.359 32.500 -0.104 0.000 0.716 363 K HN 0.065 nan 8.250 nan 0.000 0.444 364 L N 0.539 121.580 121.223 -0.303 0.000 2.044 364 L HA -0.181 4.159 4.340 -0.000 0.000 0.205 364 L C 2.414 178.851 176.870 -0.721 0.000 1.075 364 L CA 1.469 55.967 54.840 -0.571 0.000 0.747 364 L CB -0.646 41.118 42.059 -0.492 0.000 0.903 364 L HN 0.210 nan 8.230 nan 0.000 0.435 365 C N -0.622 118.476 119.300 -0.336 0.000 2.413 365 C HA -0.165 4.295 4.460 -0.000 0.000 0.276 365 C C 2.633 177.592 174.990 -0.052 0.000 1.248 365 C CA 0.629 59.601 59.018 -0.077 0.000 1.742 365 C CB -0.814 26.939 27.740 0.022 0.000 2.017 365 C HN 0.544 nan 8.230 nan 0.000 0.481 366 E N 0.267 120.409 120.200 -0.097 0.000 2.110 366 E HA -0.216 4.134 4.350 -0.000 0.000 0.193 366 E C 1.986 178.547 176.600 -0.065 0.000 0.988 366 E CA 0.964 57.329 56.400 -0.058 0.000 0.804 366 E CB -0.247 29.418 29.700 -0.059 0.000 0.745 366 E HN 0.535 nan 8.360 nan 0.000 0.458 367 L N 0.244 121.379 121.223 -0.147 0.000 2.005 367 L HA -0.185 4.155 4.340 -0.000 0.000 0.207 367 L C 2.011 178.873 176.870 -0.013 0.000 1.072 367 L CA 1.725 56.488 54.840 -0.128 0.000 0.744 367 L CB -0.643 41.297 42.059 -0.198 0.000 0.895 367 L HN 0.185 nan 8.230 nan 0.000 0.433 368 Y N -0.578 119.702 120.300 -0.033 0.000 2.224 368 Y HA -0.232 4.318 4.550 -0.000 0.000 0.289 368 Y C 2.543 178.447 175.900 0.006 0.000 1.146 368 Y CA 0.320 58.401 58.100 -0.031 0.000 1.182 368 Y CB -0.579 37.900 38.460 0.031 0.000 0.983 368 Y HN 0.392 nan 8.280 nan 0.000 0.524 369 A N 0.674 123.601 122.820 0.179 0.000 1.908 369 A HA -0.261 4.059 4.320 -0.000 0.000 0.218 369 A C 2.184 179.815 177.584 0.078 0.000 1.181 369 A CA 2.048 54.157 52.037 0.120 0.000 0.627 369 A CB -0.628 18.416 19.000 0.075 0.000 0.818 369 A HN 0.419 nan 8.150 nan 0.000 0.445 370 K N -0.405 120.018 120.400 0.039 0.000 2.025 370 K HA -0.077 4.243 4.320 -0.000 0.000 0.207 370 K C 1.830 178.432 176.600 0.003 0.000 1.049 370 K CA 1.592 57.894 56.287 0.024 0.000 0.933 370 K CB -0.252 32.253 32.500 0.008 0.000 0.714 370 K HN 0.231 nan 8.250 nan 0.000 0.438 371 V N 1.612 121.470 119.914 -0.093 0.000 2.358 371 V HA -0.210 3.910 4.120 -0.000 0.000 0.246 371 V C 2.088 178.128 176.094 -0.090 0.000 1.047 371 V CA 1.503 63.706 62.300 -0.162 0.000 1.035 371 V CB -0.289 31.375 31.823 -0.265 0.000 0.658 371 V HN 0.314 nan 8.190 nan 0.000 0.452 372 L N 0.364 121.565 121.223 -0.037 0.000 2.591 372 L HA 0.317 4.657 4.340 -0.000 0.000 0.228 372 L C 1.661 178.645 176.870 0.190 0.000 1.133 372 L CA 0.673 55.516 54.840 0.005 0.000 0.880 372 L CB -0.656 41.485 42.059 0.136 0.000 1.033 372 L HN 0.517 nan 8.230 nan 0.000 0.450 373 G N 0.699 109.578 108.800 0.132 0.000 2.341 373 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.292 373 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.292 373 G C 0.010 174.995 174.900 0.142 0.000 1.021 373 G CA 0.536 45.717 45.100 0.135 0.000 0.905 373 G HN 0.350 nan 8.290 nan 0.000 0.508 374 S N -0.766 115.019 115.700 0.141 0.000 2.707 374 S HA 0.479 4.949 4.470 -0.000 0.000 0.303 374 S C 1.289 175.887 174.600 -0.003 0.000 1.132 374 S CA -0.738 57.519 58.200 0.095 0.000 1.046 374 S CB 1.718 65.055 63.200 0.227 0.000 1.004 374 S HN 0.244 nan 8.310 nan 0.000 0.483 375 L N 2.193 123.389 121.223 -0.045 0.000 2.131 375 L HA -0.125 4.215 4.340 -0.000 0.000 0.210 375 L C 2.324 179.104 176.870 -0.150 0.000 1.092 375 L CA 1.277 56.078 54.840 -0.065 0.000 0.759 375 L CB -0.334 41.696 42.059 -0.048 0.000 0.903 375 L HN 0.690 nan 8.230 nan 0.000 0.435 376 E N 0.208 120.206 120.200 -0.336 0.000 2.219 376 E HA -0.264 4.085 4.350 -0.000 0.000 0.198 376 E C 2.188 178.429 176.600 -0.597 0.000 0.998 376 E CA 1.124 57.155 56.400 -0.616 0.000 0.818 376 E CB -0.171 28.808 29.700 -1.201 0.000 0.741 376 E HN 0.544 nan 8.360 nan 0.000 0.477 377 A N 0.544 123.117 122.820 -0.411 0.000 2.172 377 A HA -0.078 4.242 4.320 -0.000 0.000 0.216 377 A C 1.861 179.641 177.584 0.326 0.000 1.154 377 A CA 0.666 52.759 52.037 0.094 0.000 0.701 377 A CB -0.255 18.929 19.000 0.306 0.000 0.789 377 A HN 0.159 nan 8.150 nan 0.000 0.465 378 L N -1.095 120.211 121.223 0.138 0.000 2.591 378 L HA 0.118 4.458 4.340 -0.000 0.000 0.228 378 L C 0.351 177.299 176.870 0.130 0.000 1.133 378 L CA 0.252 55.163 54.840 0.118 0.000 0.880 378 L CB -0.013 42.072 42.059 0.043 0.000 1.033 378 L HN 0.218 nan 8.230 nan 0.000 0.450 379 E N 0.939 121.266 120.200 0.211 0.000 3.312 379 E HA 0.184 4.534 4.350 -0.000 0.000 0.215 379 E C -2.236 174.515 176.600 0.251 0.000 1.160 379 E CA -1.753 54.755 56.400 0.181 0.000 1.267 379 E CB 0.615 30.382 29.700 0.112 0.000 1.361 379 E HN 0.058 nan 8.360 nan 0.000 0.433 380 P HA -0.041 nan 4.420 nan 0.000 0.271 380 P C 0.768 178.086 177.300 0.031 0.000 1.218 380 P CA -0.030 63.008 63.100 -0.102 0.000 0.780 380 P CB 1.630 33.244 31.700 -0.143 0.000 0.901 381 V N -1.593 118.363 119.914 0.071 0.000 3.431 381 V HA 0.296 4.416 4.120 -0.000 0.000 0.253 381 V C 0.549 176.760 176.094 0.195 0.000 1.184 381 V CA 0.853 63.231 62.300 0.130 0.000 1.104 381 V CB -1.121 30.786 31.823 0.140 0.000 0.799 381 V HN 0.644 nan 8.190 nan 0.000 0.462 382 H N -1.287 117.843 119.070 0.100 0.000 3.003 382 H HA 0.647 5.203 4.556 -0.000 0.000 0.327 382 H C -2.262 173.257 175.328 0.319 0.000 1.353 382 H CA -0.710 55.406 56.048 0.113 0.000 1.142 382 H CB 2.146 31.853 29.762 -0.092 0.000 1.864 382 H HN 0.149 nan 8.280 nan 0.000 0.529 383 Y N 1.473 121.546 120.300 -0.379 0.000 2.441 383 Y HA 0.471 5.021 4.550 -0.000 0.000 0.334 383 Y C -1.629 174.205 175.900 -0.111 0.000 1.061 383 Y CA -0.618 57.432 58.100 -0.084 0.000 1.032 383 Y CB 1.659 40.058 38.460 -0.102 0.000 1.266 383 Y HN 0.601 nan 8.280 nan 0.000 0.441 384 E N 4.386 124.358 120.200 -0.379 0.000 2.317 384 E HA 0.436 4.786 4.350 -0.000 0.000 0.270 384 E C -1.436 174.793 176.600 -0.618 0.000 0.885 384 E CA -0.832 55.351 56.400 -0.362 0.000 0.760 384 E CB 2.803 32.519 29.700 0.026 0.000 1.227 384 E HN 0.771 nan 8.360 nan 0.000 0.434 385 E N 0.265 120.233 120.200 -0.386 0.000 2.412 385 E HA 0.649 4.999 4.350 -0.000 0.000 0.279 385 E C -1.238 175.329 176.600 -0.055 0.000 0.984 385 E CA -1.047 55.221 56.400 -0.220 0.000 0.788 385 E CB 2.580 32.148 29.700 -0.220 0.000 1.277 385 E HN 0.188 nan 8.360 nan 0.000 0.455 386 K N 1.385 121.799 120.400 0.022 0.000 2.581 386 K HA 0.267 4.587 4.320 -0.000 0.000 0.249 386 K C -1.577 174.987 176.600 -0.059 0.000 0.966 386 K CA -0.744 55.494 56.287 -0.080 0.000 0.811 386 K CB 1.465 33.873 32.500 -0.153 0.000 1.223 386 K HN 0.516 nan 8.250 nan 0.000 0.438 387 N N 3.938 122.569 118.700 -0.115 0.000 2.437 387 N HA 0.102 4.842 4.740 -0.000 0.000 0.243 387 N C -0.200 175.247 175.510 -0.104 0.000 1.041 387 N CA -0.334 52.706 53.050 -0.017 0.000 0.940 387 N CB 0.333 38.821 38.487 0.002 0.000 1.133 387 N HN 0.630 nan 8.380 nan 0.000 0.506 388 W N 2.167 123.511 121.300 0.073 0.000 2.678 388 W HA 0.056 4.716 4.660 -0.000 0.000 0.256 388 W C 1.998 178.537 176.519 0.033 0.000 1.280 388 W CA -0.087 57.294 57.345 0.061 0.000 1.345 388 W CB -0.163 29.349 29.460 0.086 0.000 1.118 388 W HN 0.585 nan 8.180 nan 0.000 0.629 389 C N 0.532 119.943 119.300 0.185 0.000 2.419 389 C HA -0.177 4.283 4.460 -0.000 0.000 0.281 389 C C 2.220 177.241 174.990 0.052 0.000 1.336 389 C CA 1.478 60.559 59.018 0.106 0.000 1.770 389 C CB -1.461 26.325 27.740 0.076 0.000 1.929 389 C HN 0.486 nan 8.230 nan 0.000 0.509 390 E N 0.761 120.971 120.200 0.017 0.000 2.489 390 E HA 0.026 4.376 4.350 -0.000 0.000 0.193 390 E C -0.067 176.509 176.600 -0.041 0.000 1.057 390 E CA 0.206 56.592 56.400 -0.024 0.000 0.866 390 E CB -0.194 29.479 29.700 -0.045 0.000 0.916 390 E HN 0.520 nan 8.360 nan 0.000 0.500 391 E N 2.258 122.452 120.200 -0.009 0.000 2.104 391 E HA -0.034 4.316 4.350 -0.000 0.000 0.278 391 E C 0.527 177.114 176.600 -0.022 0.000 1.127 391 E CA 0.076 56.476 56.400 0.000 0.000 0.897 391 E CB 1.431 31.192 29.700 0.101 0.000 1.043 391 E HN 0.349 nan 8.360 nan 0.000 0.410 392 Q N 2.987 122.708 119.800 -0.132 0.000 2.135 392 Q HA -0.193 4.147 4.340 -0.000 0.000 0.204 392 Q C 0.350 176.113 176.000 -0.395 0.000 0.981 392 Q CA 1.609 57.215 55.803 -0.329 0.000 0.856 392 Q CB 0.091 28.500 28.738 -0.547 0.000 0.902 392 Q HN 0.602 nan 8.270 nan 0.000 0.425 393 Y N -0.918 119.411 120.300 0.048 0.000 2.571 393 Y HA 0.271 4.821 4.550 -0.000 0.000 0.275 393 Y C 1.377 177.337 175.900 0.100 0.000 1.179 393 Y CA -0.325 57.812 58.100 0.062 0.000 1.242 393 Y CB 0.921 39.409 38.460 0.047 0.000 1.126 393 Y HN 0.082 nan 8.280 nan 0.000 0.524 394 S N -1.623 114.203 115.700 0.211 0.000 2.931 394 S HA 0.300 4.770 4.470 -0.000 0.000 0.251 394 S C 1.795 176.478 174.600 0.138 0.000 1.078 394 S CA 0.509 58.839 58.200 0.216 0.000 0.835 394 S CB 0.661 64.074 63.200 0.355 0.000 0.798 394 S HN 0.509 nan 8.310 nan 0.000 0.495 395 G N 1.051 109.915 108.800 0.107 0.000 2.195 395 G HA2 0.135 4.095 3.960 -0.000 0.000 0.246 395 G HA3 0.135 4.095 3.960 -0.000 0.000 0.246 395 G C 0.502 175.445 174.900 0.072 0.000 0.984 395 G CA 0.071 45.202 45.100 0.052 0.000 0.633 395 G HN 1.407 nan 8.290 nan 0.000 0.525 396 G N -2.316 106.568 108.800 0.140 0.000 2.350 396 G HA2 0.504 4.464 3.960 -0.000 0.000 0.282 396 G HA3 0.504 4.464 3.960 -0.000 0.000 0.282 396 G C -0.916 174.063 174.900 0.132 0.000 1.314 396 G CA 0.293 45.483 45.100 0.149 0.000 0.915 396 G HN 1.522 nan 8.290 nan 0.000 0.499 397 C N -1.613 117.713 119.300 0.043 0.000 3.285 397 C HA 0.598 5.058 4.460 -0.000 0.000 0.325 397 C C 0.763 175.605 174.990 -0.247 0.000 1.304 397 C CA -0.641 58.328 59.018 -0.082 0.000 1.319 397 C CB 0.765 28.354 27.740 -0.252 0.000 1.640 397 C HN 0.734 nan 8.230 nan 0.000 0.477 398 Y N 0.638 120.874 120.300 -0.107 0.000 2.337 398 Y HA 0.238 4.788 4.550 -0.000 0.000 0.293 398 Y C 1.578 177.448 175.900 -0.050 0.000 1.123 398 Y CA 1.162 59.167 58.100 -0.159 0.000 1.201 398 Y CB -0.394 37.948 38.460 -0.196 0.000 1.011 398 Y HN 0.689 nan 8.280 nan 0.000 0.545 399 T N -1.922 112.721 114.554 0.148 0.000 2.671 399 T HA 0.347 4.697 4.350 -0.000 0.000 0.300 399 T C -0.858 173.949 174.700 0.178 0.000 1.238 399 T CA -0.699 61.529 62.100 0.214 0.000 1.020 399 T CB 1.045 70.142 68.868 0.382 0.000 1.503 399 T HN -0.154 nan 8.240 nan 0.000 0.497 400 T N 2.632 117.308 114.554 0.204 0.000 2.794 400 T HA 0.494 4.844 4.350 -0.000 0.000 0.296 400 T C -0.786 173.935 174.700 0.035 0.000 0.949 400 T CA -0.018 62.104 62.100 0.036 0.000 1.101 400 T CB -0.400 68.482 68.868 0.024 0.000 0.905 400 T HN 0.467 nan 8.240 nan 0.000 0.516 401 Y N 1.092 121.175 120.300 -0.361 0.000 2.534 401 Y HA 0.800 5.350 4.550 0.000 0.000 0.329 401 Y C -1.203 174.120 175.900 -0.961 0.000 1.154 401 Y CA -2.226 55.271 58.100 -1.005 0.000 1.192 401 Y CB 0.755 38.748 38.460 -0.778 0.000 1.275 401 Y HN 0.407 nan 8.280 nan 0.000 0.491 402 F N 2.906 122.088 119.950 -1.281 0.000 2.427 402 F HA 0.556 5.083 4.527 -0.000 0.000 0.348 402 F C -2.334 173.363 175.800 -0.171 0.000 1.125 402 F CA -2.728 54.900 58.000 -0.621 0.000 0.989 402 F CB 1.556 40.243 39.000 -0.521 0.000 1.165 402 F HN 0.355 nan 8.300 nan 0.000 0.442 403 P HA 0.077 nan 4.420 nan 0.000 0.271 403 P C -2.529 174.866 177.300 0.159 0.000 1.233 403 P CA -1.037 62.136 63.100 0.122 0.000 0.789 403 P CB -0.170 31.548 31.700 0.030 0.000 0.951 404 P HA -0.037 nan 4.420 nan 0.000 0.262 404 P C 0.905 178.296 177.300 0.150 0.000 1.182 404 P CA 1.321 64.522 63.100 0.167 0.000 0.761 404 P CB -0.120 31.661 31.700 0.136 0.000 0.795 405 G N 2.888 111.793 108.800 0.175 0.000 2.195 405 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.246 405 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.246 405 G C 0.739 175.758 174.900 0.198 0.000 0.984 405 G CA 0.009 45.204 45.100 0.158 0.000 0.633 405 G HN 0.430 nan 8.290 nan 0.000 0.525 406 I N 0.013 120.730 120.570 0.246 0.000 2.429 406 I HA 0.197 4.367 4.170 -0.000 0.000 0.247 406 I C 2.592 178.957 176.117 0.413 0.000 1.099 406 I CA 1.161 62.660 61.300 0.331 0.000 1.422 406 I CB -1.146 36.967 38.000 0.188 0.000 1.112 406 I HN 0.252 nan 8.210 nan 0.000 0.430 407 L N 1.186 122.637 121.223 0.379 0.000 2.083 407 L HA -0.202 4.138 4.340 -0.000 0.000 0.209 407 L C 2.610 179.542 176.870 0.104 0.000 1.083 407 L CA 2.464 57.375 54.840 0.120 0.000 0.752 407 L CB -0.909 41.090 42.059 -0.100 0.000 0.899 407 L HN 0.428 nan 8.230 nan 0.000 0.433 408 T N -4.382 110.252 114.554 0.134 0.000 2.857 408 T HA -0.137 4.213 4.350 -0.000 0.000 0.266 408 T C 1.815 176.479 174.700 -0.061 0.000 1.048 408 T CA 0.887 63.039 62.100 0.087 0.000 1.139 408 T CB -0.331 68.598 68.868 0.100 0.000 0.874 408 T HN 0.334 nan 8.240 nan 0.000 0.455 409 Q N -0.022 119.751 119.800 -0.046 0.000 2.137 409 Q HA 0.102 4.442 4.340 -0.000 0.000 0.198 409 Q C 1.227 176.936 176.000 -0.485 0.000 0.960 409 Q CA 1.267 56.914 55.803 -0.261 0.000 0.847 409 Q CB -0.062 28.534 28.738 -0.237 0.000 0.915 409 Q HN 0.769 nan 8.270 nan 0.000 0.448 410 Y N -1.691 118.541 120.300 -0.112 0.000 2.432 410 Y HA 0.267 4.817 4.550 -0.000 0.000 0.252 410 Y C 2.042 177.827 175.900 -0.191 0.000 1.097 410 Y CA 0.107 58.127 58.100 -0.133 0.000 1.250 410 Y CB 0.138 38.563 38.460 -0.057 0.000 1.245 410 Y HN 0.090 nan 8.280 nan 0.000 0.522 411 G N 1.634 110.364 108.800 -0.116 0.000 2.475 411 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.220 411 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.220 411 G C 1.744 176.243 174.900 -0.668 0.000 1.125 411 G CA 1.167 46.110 45.100 -0.261 0.000 0.755 411 G HN 0.414 nan 8.290 nan 0.000 0.565 412 R N 0.663 120.471 120.500 -1.153 0.000 2.285 412 R HA 0.031 4.371 4.340 -0.000 0.000 0.213 412 R C 1.939 178.011 176.300 -0.379 0.000 1.068 412 R CA 1.513 56.948 56.100 -1.109 0.000 1.004 412 R CB -0.548 29.078 30.300 -1.123 0.000 0.873 412 R HN 0.523 nan 8.270 nan 0.000 0.467 413 V N -2.479 117.275 119.914 -0.268 0.000 3.650 413 V HA 0.125 4.245 4.120 -0.000 0.000 0.271 413 V C 2.064 178.066 176.094 -0.152 0.000 1.281 413 V CA 0.027 62.231 62.300 -0.161 0.000 1.120 413 V CB -0.313 31.420 31.823 -0.150 0.000 0.856 413 V HN 0.103 nan 8.190 nan 0.000 0.443 414 L N 1.636 122.805 121.223 -0.090 0.000 2.010 414 L HA -0.212 4.128 4.340 -0.000 0.000 0.219 414 L C 2.786 179.606 176.870 -0.083 0.000 1.077 414 L CA 2.860 57.667 54.840 -0.055 0.000 0.773 414 L CB -0.175 41.949 42.059 0.107 0.000 0.892 414 L HN 0.550 nan 8.230 nan 0.000 0.436 415 R N -0.789 119.760 120.500 0.081 0.000 2.546 415 R HA 0.152 4.492 4.340 -0.000 0.000 0.320 415 R C 0.489 176.946 176.300 0.262 0.000 1.021 415 R CA -0.226 56.013 56.100 0.231 0.000 1.088 415 R CB -0.059 30.434 30.300 0.321 0.000 1.278 415 R HN 0.228 nan 8.270 nan 0.000 0.557 416 Q N 2.641 122.517 119.800 0.126 0.000 2.293 416 Q HA 0.223 4.563 4.340 -0.000 0.000 0.263 416 Q C -2.127 173.994 176.000 0.201 0.000 1.002 416 Q CA -2.218 53.659 55.803 0.124 0.000 0.910 416 Q CB 0.917 29.669 28.738 0.024 0.000 1.185 416 Q HN 0.032 nan 8.270 nan 0.000 0.401 417 P HA -0.041 nan 4.420 nan 0.000 0.268 417 P C -1.263 176.040 177.300 0.005 0.000 1.205 417 P CA -0.055 62.999 63.100 -0.076 0.000 0.771 417 P CB 0.673 32.063 31.700 -0.516 0.000 0.858 418 V N 3.447 123.378 119.914 0.028 0.000 2.293 418 V HA 0.150 4.270 4.120 -0.000 0.000 0.275 418 V C 0.743 176.803 176.094 -0.056 0.000 1.021 418 V CA 0.073 62.385 62.300 0.020 0.000 0.815 418 V CB 0.195 32.072 31.823 0.091 0.000 1.025 418 V HN 0.769 nan 8.190 nan 0.000 0.448 419 D N 4.221 124.591 120.400 -0.050 0.000 4.334 419 D HA -0.314 4.326 4.640 -0.000 0.000 0.183 419 D C 1.385 177.665 176.300 -0.033 0.000 0.667 419 D CA 2.493 56.479 54.000 -0.025 0.000 1.106 419 D CB -0.236 40.563 40.800 -0.002 0.000 0.544 419 D HN 0.588 nan 8.370 nan 0.000 0.458 420 R N -0.178 120.327 120.500 0.007 0.000 2.432 420 R HA 0.434 4.774 4.340 -0.000 0.000 0.260 420 R C -0.135 176.251 176.300 0.143 0.000 0.935 420 R CA -0.163 56.027 56.100 0.151 0.000 1.080 420 R CB 0.429 30.764 30.300 0.057 0.000 1.155 420 R HN 0.300 nan 8.270 nan 0.000 0.531 421 I N 1.209 121.718 120.570 -0.102 0.000 2.342 421 I HA 0.191 4.361 4.170 -0.000 0.000 0.291 421 I C -0.565 175.193 176.117 -0.598 0.000 1.010 421 I CA -0.518 60.636 61.300 -0.244 0.000 1.308 421 I CB 0.597 38.433 38.000 -0.273 0.000 1.400 421 I HN -0.092 nan 8.210 nan 0.000 0.488 422 Y N 5.296 125.342 120.300 -0.423 0.000 2.509 422 Y HA 0.545 5.095 4.550 -0.000 0.000 0.341 422 Y C -0.559 175.031 175.900 -0.518 0.000 1.038 422 Y CA -0.686 57.209 58.100 -0.341 0.000 1.089 422 Y CB 1.657 40.047 38.460 -0.118 0.000 1.241 422 Y HN 0.286 nan 8.280 nan 0.000 0.468 423 F N 1.441 121.505 119.950 0.190 0.000 2.449 423 F HA 0.721 5.248 4.527 -0.000 0.000 0.342 423 F C 0.412 176.292 175.800 0.133 0.000 1.127 423 F CA -0.541 57.543 58.000 0.139 0.000 0.975 423 F CB 1.190 40.256 39.000 0.110 0.000 1.146 423 F HN 0.608 nan 8.300 nan 0.000 0.444 424 A N 2.285 125.257 122.820 0.254 0.000 3.791 424 A HA 0.956 5.276 4.320 -0.000 0.000 0.159 424 A C 0.373 178.086 177.584 0.214 0.000 1.359 424 A CA -0.427 51.723 52.037 0.188 0.000 0.899 424 A CB -0.084 18.983 19.000 0.111 0.000 1.642 424 A HN 1.497 nan 8.150 nan 0.000 0.612 425 G N -2.396 106.508 108.800 0.174 0.000 2.777 425 G HA2 0.075 4.035 3.960 -0.000 0.000 0.686 425 G HA3 0.075 4.035 3.960 -0.000 0.000 0.686 425 G C 0.471 175.497 174.900 0.211 0.000 1.177 425 G CA 0.655 45.865 45.100 0.183 0.000 0.775 425 G HN 1.598 nan 8.290 nan 0.000 0.613 426 T N 0.224 114.905 114.554 0.212 0.000 2.778 426 T HA -0.130 4.220 4.350 -0.000 0.000 0.269 426 T C 2.089 176.989 174.700 0.332 0.000 1.050 426 T CA 2.701 64.954 62.100 0.255 0.000 1.137 426 T CB -0.188 68.830 68.868 0.250 0.000 0.860 426 T HN 0.636 nan 8.240 nan 0.000 0.468 427 E N 0.411 120.813 120.200 0.337 0.000 2.267 427 E HA -0.065 4.285 4.350 -0.000 0.000 0.197 427 E C 2.144 178.999 176.600 0.425 0.000 0.998 427 E CA 1.520 58.170 56.400 0.416 0.000 0.830 427 E CB -0.132 29.775 29.700 0.345 0.000 0.751 427 E HN 0.718 nan 8.360 nan 0.000 0.491 428 T N -2.797 111.971 114.554 0.357 0.000 3.105 428 T HA 0.499 4.849 4.350 -0.000 0.000 0.253 428 T C 0.668 175.605 174.700 0.395 0.000 1.047 428 T CA -0.045 62.266 62.100 0.353 0.000 0.944 428 T CB 0.322 69.373 68.868 0.305 0.000 1.016 428 T HN 0.085 nan 8.240 nan 0.000 0.544 429 A N 1.562 124.623 122.820 0.401 0.000 2.287 429 A HA 0.598 4.918 4.320 -0.000 0.000 0.273 429 A C 1.464 179.323 177.584 0.459 0.000 1.091 429 A CA 0.006 52.282 52.037 0.397 0.000 0.817 429 A CB 0.565 19.756 19.000 0.317 0.000 1.069 429 A HN 0.475 nan 8.150 nan 0.000 0.492 430 T N -2.696 112.109 114.554 0.417 0.000 2.985 430 T HA 0.233 4.583 4.350 -0.000 0.000 0.254 430 T C 0.269 175.080 174.700 0.184 0.000 1.021 430 T CA 0.662 62.963 62.100 0.334 0.000 0.957 430 T CB -0.335 68.682 68.868 0.248 0.000 1.047 430 T HN 0.730 nan 8.240 nan 0.000 0.511 431 H N -0.925 118.180 119.070 0.058 0.000 3.013 431 H HA 0.294 4.850 4.556 -0.000 0.000 0.326 431 H C -1.006 174.347 175.328 0.042 0.000 0.973 431 H CA -1.132 54.876 56.048 -0.068 0.000 1.369 431 H CB 0.780 30.558 29.762 0.027 0.000 1.598 431 H HN 0.324 nan 8.280 nan 0.000 0.518 432 W N 2.196 123.263 121.300 -0.389 0.000 5.361 432 W HA -0.247 4.413 4.660 -0.000 0.000 0.385 432 W C 0.457 176.891 176.519 -0.141 0.000 1.458 432 W CA 0.856 57.910 57.345 -0.485 0.000 0.922 432 W CB -1.743 27.352 29.460 -0.607 0.000 2.606 432 W HN 0.397 nan 8.180 nan 0.000 1.450 433 S N 0.557 116.291 115.700 0.057 0.000 2.552 433 S HA 0.381 4.851 4.470 -0.000 0.000 0.289 433 S C 1.429 176.256 174.600 0.379 0.000 1.304 433 S CA 1.764 60.122 58.200 0.263 0.000 1.063 433 S CB 0.802 64.239 63.200 0.394 0.000 0.848 433 S HN 1.495 nan 8.310 nan 0.000 0.499 434 G N 2.914 112.020 108.800 0.511 0.000 2.213 434 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.236 434 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.236 434 G C -0.192 174.896 174.900 0.314 0.000 0.991 434 G CA 0.322 45.751 45.100 0.547 0.000 0.629 434 G HN 0.683 nan 8.290 nan 0.000 0.517 435 Y N -0.661 119.757 120.300 0.196 0.000 2.650 435 Y HA 0.726 5.276 4.550 -0.000 0.000 0.331 435 Y C 1.939 177.881 175.900 0.069 0.000 1.082 435 Y CA -0.780 57.383 58.100 0.106 0.000 1.171 435 Y CB 0.802 39.309 38.460 0.078 0.000 1.326 435 Y HN -0.033 nan 8.280 nan 0.000 0.513 436 M N -0.152 119.553 119.600 0.175 0.000 2.159 436 M HA -0.186 4.294 4.480 -0.000 0.000 0.263 436 M C 1.828 178.189 176.300 0.103 0.000 1.063 436 M CA 1.875 57.244 55.300 0.115 0.000 1.110 436 M CB -0.219 32.443 32.600 0.102 0.000 1.374 436 M HN 0.774 nan 8.290 nan 0.000 0.411 437 E N 0.755 120.996 120.200 0.068 0.000 2.070 437 E HA -0.166 4.184 4.350 -0.000 0.000 0.197 437 E C 1.937 178.599 176.600 0.103 0.000 1.004 437 E CA 2.121 58.528 56.400 0.012 0.000 0.805 437 E CB -0.671 28.915 29.700 -0.190 0.000 0.744 437 E HN 0.439 nan 8.360 nan 0.000 0.451 438 G N -0.131 108.779 108.800 0.184 0.000 2.422 438 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.218 438 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.218 438 G C 1.684 176.696 174.900 0.187 0.000 1.140 438 G CA 0.989 46.219 45.100 0.216 0.000 0.775 438 G HN 0.469 nan 8.290 nan 0.000 0.545 439 A N 0.397 123.315 122.820 0.164 0.000 1.877 439 A HA 0.023 4.343 4.320 -0.000 0.000 0.216 439 A C 2.613 180.255 177.584 0.095 0.000 1.186 439 A CA 1.976 54.092 52.037 0.130 0.000 0.620 439 A CB -0.714 18.353 19.000 0.111 0.000 0.822 439 A HN 0.266 nan 8.150 nan 0.000 0.443 440 V N 0.142 120.104 119.914 0.080 0.000 2.295 440 V HA -0.270 3.850 4.120 -0.000 0.000 0.246 440 V C 2.547 178.673 176.094 0.052 0.000 1.049 440 V CA 2.235 64.567 62.300 0.053 0.000 1.024 440 V CB -0.844 31.005 31.823 0.043 0.000 0.648 440 V HN 0.701 nan 8.190 nan 0.000 0.447 441 E N 0.484 120.733 120.200 0.081 0.000 2.049 441 E HA -0.287 4.063 4.350 -0.000 0.000 0.198 441 E C 2.263 178.882 176.600 0.032 0.000 1.007 441 E CA 1.872 58.322 56.400 0.084 0.000 0.809 441 E CB -0.203 29.595 29.700 0.163 0.000 0.749 441 E HN 0.539 nan 8.360 nan 0.000 0.450 442 A N 0.589 123.455 122.820 0.077 0.000 1.930 442 A HA -0.061 4.259 4.320 -0.000 0.000 0.217 442 A C 2.402 179.998 177.584 0.019 0.000 1.175 442 A CA 1.726 53.799 52.037 0.059 0.000 0.627 442 A CB -0.969 18.120 19.000 0.150 0.000 0.815 442 A HN 0.444 nan 8.150 nan 0.000 0.443 443 G N -0.388 108.432 108.800 0.033 0.000 2.421 443 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.216 443 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.216 443 G C 1.435 176.318 174.900 -0.029 0.000 1.171 443 G CA 0.964 46.072 45.100 0.014 0.000 0.775 443 G HN 0.646 nan 8.290 nan 0.000 0.543 444 E N -0.318 119.858 120.200 -0.040 0.000 2.158 444 E HA -0.020 4.330 4.350 -0.000 0.000 0.191 444 E C 2.551 179.070 176.600 -0.134 0.000 0.982 444 E CA 0.017 56.377 56.400 -0.067 0.000 0.823 444 E CB -0.030 29.645 29.700 -0.041 0.000 0.766 444 E HN 0.195 nan 8.360 nan 0.000 0.468 445 R N 1.291 121.671 120.500 -0.201 0.000 2.073 445 R HA -0.042 4.298 4.340 -0.000 0.000 0.229 445 R C 2.084 178.211 176.300 -0.288 0.000 1.120 445 R CA 1.395 57.264 56.100 -0.384 0.000 0.967 445 R CB -0.309 29.562 30.300 -0.715 0.000 0.862 445 R HN 0.137 nan 8.270 nan 0.000 0.436 446 A N 0.944 123.667 122.820 -0.162 0.000 1.902 446 A HA -0.082 4.238 4.320 -0.000 0.000 0.217 446 A C 2.411 179.898 177.584 -0.162 0.000 1.181 446 A CA 1.851 53.836 52.037 -0.086 0.000 0.623 446 A CB -0.727 18.278 19.000 0.010 0.000 0.818 446 A HN 0.496 nan 8.150 nan 0.000 0.443 447 A N -0.331 122.403 122.820 -0.143 0.000 1.933 447 A HA -0.173 4.147 4.320 -0.000 0.000 0.218 447 A C 2.262 179.727 177.584 -0.198 0.000 1.175 447 A CA 1.580 53.524 52.037 -0.155 0.000 0.628 447 A CB -0.430 18.512 19.000 -0.098 0.000 0.814 447 A HN 0.553 nan 8.150 nan 0.000 0.444 448 R N -0.591 119.797 120.500 -0.186 0.000 2.119 448 R HA -0.045 4.295 4.340 -0.000 0.000 0.222 448 R C 2.019 178.209 176.300 -0.184 0.000 1.088 448 R CA 1.083 57.083 56.100 -0.167 0.000 0.984 448 R CB -0.239 29.971 30.300 -0.149 0.000 0.884 448 R HN 0.662 nan 8.270 nan 0.000 0.447 449 E N 0.713 120.771 120.200 -0.237 0.000 2.097 449 E HA -0.225 4.125 4.350 -0.000 0.000 0.196 449 E C 1.943 178.246 176.600 -0.494 0.000 1.000 449 E CA 1.254 57.505 56.400 -0.248 0.000 0.804 449 E CB -0.123 29.464 29.700 -0.188 0.000 0.740 449 E HN 0.344 nan 8.360 nan 0.000 0.454 450 I N 0.829 120.978 120.570 -0.702 0.000 2.252 450 I HA -0.266 3.904 4.170 -0.000 0.000 0.245 450 I C 2.344 178.136 176.117 -0.541 0.000 1.102 450 I CA 0.806 61.584 61.300 -0.870 0.000 1.385 450 I CB -0.136 37.393 38.000 -0.785 0.000 1.064 450 I HN 0.095 nan 8.210 nan 0.000 0.414 451 L N -0.065 120.970 121.223 -0.313 0.000 2.042 451 L HA -0.294 4.046 4.340 -0.000 0.000 0.210 451 L C 2.725 179.528 176.870 -0.111 0.000 1.076 451 L CA 1.623 56.357 54.840 -0.176 0.000 0.749 451 L CB -0.907 41.086 42.059 -0.110 0.000 0.893 451 L HN 0.365 nan 8.230 nan 0.000 0.432 452 H N 0.134 119.098 119.070 -0.175 0.000 2.321 452 H HA -0.115 4.441 4.556 0.000 0.000 0.300 452 H C 2.117 177.387 175.328 -0.096 0.000 1.087 452 H CA 1.493 57.478 56.048 -0.105 0.000 1.319 452 H CB 0.001 29.722 29.762 -0.069 0.000 1.379 452 H HN 0.254 nan 8.280 nan 0.000 0.501 453 A N 0.465 123.098 122.820 -0.312 0.000 2.024 453 A HA -0.145 4.175 4.320 -0.000 0.000 0.220 453 A C 2.252 179.730 177.584 -0.177 0.000 1.164 453 A CA 1.799 53.670 52.037 -0.276 0.000 0.643 453 A CB -0.614 18.227 19.000 -0.266 0.000 0.806 453 A HN 0.573 nan 8.150 nan 0.000 0.451 454 M N -1.397 118.089 119.600 -0.190 0.000 2.561 454 M HA 0.186 4.666 4.480 -0.000 0.000 0.238 454 M C 1.261 177.523 176.300 -0.065 0.000 1.131 454 M CA 0.694 55.956 55.300 -0.064 0.000 1.046 454 M CB 0.196 32.764 32.600 -0.053 0.000 1.532 454 M HN 0.589 nan 8.290 nan 0.000 0.497 455 G N 1.528 110.257 108.800 -0.118 0.000 2.160 455 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.244 455 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.244 455 G C 0.763 175.645 174.900 -0.030 0.000 1.022 455 G CA 0.487 45.539 45.100 -0.079 0.000 0.741 455 G HN 0.486 nan 8.290 nan 0.000 0.508 456 K N -0.673 119.709 120.400 -0.031 0.000 2.284 456 K HA 0.343 4.663 4.320 -0.000 0.000 0.198 456 K C 1.325 177.929 176.600 0.007 0.000 1.048 456 K CA 1.230 57.508 56.287 -0.015 0.000 0.987 456 K CB 0.333 32.815 32.500 -0.031 0.000 0.800 456 K HN 0.791 nan 8.250 nan 0.000 0.486 457 I N -1.510 119.080 120.570 0.034 0.000 2.828 457 I HA 0.456 4.626 4.170 -0.000 0.000 0.302 457 I C -2.900 173.303 176.117 0.142 0.000 1.101 457 I CA -3.050 58.285 61.300 0.059 0.000 1.031 457 I CB 2.170 40.187 38.000 0.029 0.000 1.231 457 I HN -0.241 nan 8.210 nan 0.000 0.427 458 P HA 0.039 nan 4.420 nan 0.000 0.272 458 P C 0.241 177.531 177.300 -0.016 0.000 1.240 458 P CA 0.025 63.186 63.100 0.101 0.000 0.791 458 P CB 0.954 32.682 31.700 0.046 0.000 0.978 459 E N 1.280 121.374 120.200 -0.177 0.000 2.118 459 E HA -0.205 4.145 4.350 -0.000 0.000 0.195 459 E C 1.089 177.580 176.600 -0.181 0.000 0.992 459 E CA 1.533 57.634 56.400 -0.498 0.000 0.804 459 E CB -0.346 29.143 29.700 -0.351 0.000 0.741 459 E HN 0.522 nan 8.360 nan 0.000 0.458 460 D N -0.481 119.880 120.400 -0.064 0.000 2.392 460 D HA -0.139 4.501 4.640 -0.000 0.000 0.228 460 D C 0.817 177.131 176.300 0.024 0.000 1.003 460 D CA 0.459 54.459 54.000 -0.001 0.000 0.917 460 D CB -0.163 40.642 40.800 0.007 0.000 0.890 460 D HN 0.299 nan 8.370 nan 0.000 0.532 461 E N -0.278 119.922 120.200 0.000 0.000 2.498 461 E HA 0.172 4.522 4.350 -0.000 0.000 0.203 461 E C 1.919 178.518 176.600 -0.002 0.000 1.013 461 E CA -0.308 56.100 56.400 0.012 0.000 0.927 461 E CB 0.446 30.149 29.700 0.005 0.000 1.012 461 E HN 0.268 nan 8.360 nan 0.000 0.482 462 I N 0.052 120.614 120.570 -0.013 0.000 2.179 462 I HA -0.184 3.986 4.170 -0.000 0.000 0.242 462 I C 0.460 176.475 176.117 -0.169 0.000 1.088 462 I CA 1.153 62.397 61.300 -0.093 0.000 1.357 462 I CB 0.057 38.013 38.000 -0.074 0.000 1.051 462 I HN 0.100 nan 8.210 nan 0.000 0.409 463 W N 1.895 123.192 121.300 -0.004 0.000 2.316 463 W HA 0.451 5.111 4.660 -0.000 0.000 0.308 463 W C 0.173 176.697 176.519 0.009 0.000 1.106 463 W CA -0.193 57.160 57.345 0.014 0.000 1.262 463 W CB 0.467 29.938 29.460 0.018 0.000 1.233 463 W HN -0.019 nan 8.180 nan 0.000 0.447 464 Q N 2.783 122.686 119.800 0.172 0.000 2.331 464 Q HA 0.397 4.737 4.340 -0.000 0.000 0.267 464 Q C 0.091 176.163 176.000 0.120 0.000 1.006 464 Q CA -0.519 55.350 55.803 0.111 0.000 0.818 464 Q CB 1.628 30.396 28.738 0.049 0.000 1.276 464 Q HN 0.533 nan 8.270 nan 0.000 0.450 465 S N 2.485 118.244 115.700 0.098 0.000 2.580 465 S HA 0.272 4.742 4.470 -0.000 0.000 0.274 465 S C -0.237 174.406 174.600 0.071 0.000 1.329 465 S CA -0.620 57.631 58.200 0.085 0.000 1.036 465 S CB 1.466 64.701 63.200 0.058 0.000 0.919 465 S HN 0.657 nan 8.310 nan 0.000 0.515 466 E N 1.669 121.916 120.200 0.077 0.000 2.158 466 E HA 0.571 4.921 4.350 -0.000 0.000 0.271 466 E C -2.649 173.984 176.600 0.055 0.000 0.911 466 E CA -2.173 54.267 56.400 0.067 0.000 0.767 466 E CB 0.814 30.564 29.700 0.082 0.000 1.120 466 E HN 0.550 nan 8.360 nan 0.000 0.405 467 P HA 0.086 nan 4.420 nan 0.000 0.271 467 P C -0.749 176.571 177.300 0.034 0.000 1.218 467 P CA -0.239 62.880 63.100 0.033 0.000 0.780 467 P CB 0.533 32.248 31.700 0.025 0.000 0.901 468 E N 1.323 121.542 120.200 0.031 0.000 2.384 468 E HA 0.090 4.440 4.350 -0.000 0.000 0.266 468 E C -0.121 176.491 176.600 0.021 0.000 1.012 468 E CA -0.273 56.145 56.400 0.030 0.000 0.901 468 E CB 0.427 30.142 29.700 0.026 0.000 0.967 468 E HN 0.370 nan 8.360 nan 0.000 0.435 469 S N 2.751 118.461 115.700 0.017 0.000 2.549 469 S HA -0.031 4.439 4.470 -0.000 0.000 0.286 469 S C 1.152 175.757 174.600 0.009 0.000 1.314 469 S CA -0.143 58.064 58.200 0.011 0.000 1.062 469 S CB 0.843 64.044 63.200 0.002 0.000 0.865 469 S HN 0.508 nan 8.310 nan 0.000 0.498 470 V N 1.987 121.908 119.914 0.011 0.000 2.951 470 V HA 0.061 4.181 4.120 -0.000 0.000 0.255 470 V C 1.552 177.651 176.094 0.008 0.000 1.088 470 V CA 1.375 63.681 62.300 0.010 0.000 1.109 470 V CB -0.578 31.252 31.823 0.011 0.000 0.724 470 V HN 0.806 nan 8.190 nan 0.000 0.471 471 D N 1.159 121.564 120.400 0.009 0.000 2.162 471 D HA 0.058 4.698 4.640 -0.000 0.000 0.203 471 D C 0.767 177.065 176.300 -0.003 0.000 0.967 471 D CA 1.323 55.328 54.000 0.008 0.000 0.840 471 D CB 0.612 41.421 40.800 0.015 0.000 0.972 471 D HN 0.502 nan 8.370 nan 0.000 0.482 472 V N 3.889 123.796 119.914 -0.011 0.000 2.260 472 V HA 0.204 4.324 4.120 -0.000 0.000 0.263 472 V C -2.356 173.727 176.094 -0.018 0.000 1.036 472 V CA -1.334 60.950 62.300 -0.026 0.000 0.874 472 V CB 1.148 32.938 31.823 -0.055 0.000 1.116 472 V HN -0.040 nan 8.190 nan 0.000 0.454 473 P HA 0.319 nan 4.420 nan 0.000 0.275 473 P C -0.369 176.931 177.300 -0.001 0.000 1.228 473 P CA 0.013 63.112 63.100 -0.001 0.000 0.786 473 P CB 1.537 33.238 31.700 0.002 0.000 0.927 474 A N 3.648 126.473 122.820 0.009 0.000 2.294 474 A HA 0.242 4.562 4.320 -0.000 0.000 0.316 474 A C 0.454 178.045 177.584 0.013 0.000 1.359 474 A CA -0.548 51.498 52.037 0.015 0.000 0.956 474 A CB -0.025 18.996 19.000 0.034 0.000 1.155 474 A HN 0.431 nan 8.150 nan 0.000 0.544 475 Q N 3.009 122.814 119.800 0.008 0.000 2.352 475 Q HA 0.240 4.580 4.340 -0.000 0.000 0.260 475 Q C -2.211 173.794 176.000 0.008 0.000 0.976 475 Q CA -1.374 54.433 55.803 0.007 0.000 0.881 475 Q CB 0.538 29.279 28.738 0.005 0.000 1.235 475 Q HN 0.557 nan 8.270 nan 0.000 0.419 476 P HA 0.181 nan 4.420 nan 0.000 0.274 476 P C -0.284 177.015 177.300 -0.002 0.000 1.231 476 P CA -0.398 62.702 63.100 0.000 0.000 0.790 476 P CB 0.779 32.477 31.700 -0.003 0.000 0.951 477 I N 2.256 122.821 120.570 -0.009 0.000 2.379 477 I HA 0.132 4.302 4.170 -0.000 0.000 0.290 477 I C 1.112 177.220 176.117 -0.016 0.000 1.063 477 I CA 0.350 61.643 61.300 -0.012 0.000 1.351 477 I CB -0.100 37.886 38.000 -0.023 0.000 1.410 477 I HN 0.403 nan 8.210 nan 0.000 0.505 478 T N 2.036 116.585 114.554 -0.009 0.000 2.856 478 T HA 0.715 5.065 4.350 -0.000 0.000 0.283 478 T C 0.056 174.746 174.700 -0.016 0.000 1.008 478 T CA -0.740 61.354 62.100 -0.009 0.000 0.997 478 T CB 1.979 70.848 68.868 0.002 0.000 0.992 478 T HN 0.620 nan 8.240 nan 0.000 0.454 479 T N -0.564 113.976 114.554 -0.023 0.000 2.918 479 T HA 0.703 5.053 4.350 -0.000 0.000 0.286 479 T C 0.455 175.152 174.700 -0.006 0.000 1.026 479 T CA -0.727 61.351 62.100 -0.036 0.000 1.031 479 T CB 1.301 70.126 68.868 -0.071 0.000 1.046 479 T HN 0.979 nan 8.240 nan 0.000 0.479 480 T N -0.132 114.423 114.554 0.001 0.000 2.902 480 T HA 0.394 4.744 4.350 -0.000 0.000 0.280 480 T C 0.831 175.581 174.700 0.084 0.000 0.992 480 T CA -0.887 61.248 62.100 0.059 0.000 1.015 480 T CB 0.674 69.582 68.868 0.067 0.000 1.044 480 T HN 0.530 nan 8.240 nan 0.000 0.520 481 F N 0.843 120.809 119.950 0.028 0.000 2.126 481 F HA 0.001 4.528 4.527 0.000 0.000 0.299 481 F C 1.895 177.758 175.800 0.105 0.000 1.096 481 F CA 1.404 59.459 58.000 0.093 0.000 1.255 481 F CB -0.512 38.549 39.000 0.102 0.000 0.997 481 F HN 0.516 nan 8.300 nan 0.000 0.479 482 L N 0.115 121.418 121.223 0.134 0.000 2.017 482 L HA -0.214 4.126 4.340 -0.000 0.000 0.208 482 L C 2.437 179.275 176.870 -0.052 0.000 1.073 482 L CA 1.768 56.632 54.840 0.039 0.000 0.745 482 L CB -0.804 41.328 42.059 0.121 0.000 0.894 482 L HN 0.149 nan 8.230 nan 0.000 0.432 483 E N -0.169 120.004 120.200 -0.045 0.000 2.097 483 E HA -0.255 4.095 4.350 -0.000 0.000 0.196 483 E C 2.354 178.841 176.600 -0.189 0.000 1.000 483 E CA 1.238 57.580 56.400 -0.097 0.000 0.804 483 E CB -0.077 29.566 29.700 -0.094 0.000 0.740 483 E HN 0.406 nan 8.360 nan 0.000 0.454 484 R N -0.463 119.861 120.500 -0.293 0.000 2.115 484 R HA -0.045 4.295 4.340 -0.000 0.000 0.226 484 R C 1.707 177.616 176.300 -0.652 0.000 1.100 484 R CA 0.957 56.755 56.100 -0.504 0.000 0.980 484 R CB 0.059 29.961 30.300 -0.664 0.000 0.875 484 R HN 0.311 nan 8.270 nan 0.000 0.445 485 H N -0.862 118.006 119.070 -0.337 0.000 2.986 485 H HA 0.208 4.764 4.556 -0.000 0.000 0.267 485 H C 0.342 175.542 175.328 -0.213 0.000 1.072 485 H CA -0.205 55.638 56.048 -0.341 0.000 1.202 485 H CB 0.500 29.893 29.762 -0.614 0.000 1.535 485 H HN 0.016 nan 8.280 nan 0.000 0.522 486 L N 4.507 125.685 121.223 -0.074 0.000 2.490 486 L HA 0.054 4.394 4.340 -0.000 0.000 0.274 486 L C -1.668 175.177 176.870 -0.042 0.000 1.201 486 L CA -1.396 53.428 54.840 -0.025 0.000 0.869 486 L CB 0.327 42.402 42.059 0.026 0.000 1.123 486 L HN -0.018 nan 8.230 nan 0.000 0.484 487 P HA 0.102 nan 4.420 nan 0.000 0.274 487 P C -0.530 176.720 177.300 -0.083 0.000 1.237 487 P CA -0.572 62.491 63.100 -0.062 0.000 0.793 487 P CB 0.970 32.633 31.700 -0.062 0.000 0.977 488 S N 0.330 115.959 115.700 -0.117 0.000 2.617 488 S HA 0.068 4.538 4.470 -0.000 0.000 0.255 488 S C 1.474 175.935 174.600 -0.232 0.000 1.318 488 S CA -0.468 57.634 58.200 -0.162 0.000 0.978 488 S CB -0.376 62.717 63.200 -0.179 0.000 0.961 488 S HN 0.215 nan 8.310 nan 0.000 0.582 489 V N 2.308 122.015 119.914 -0.345 0.000 2.270 489 V HA -0.045 4.075 4.120 -0.000 0.000 0.245 489 V C -0.459 175.227 176.094 -0.681 0.000 1.043 489 V CA 1.741 63.766 62.300 -0.458 0.000 1.014 489 V CB -1.878 29.687 31.823 -0.429 0.000 0.645 489 V HN 0.794 nan 8.190 nan 0.000 0.447 490 P HA -0.126 nan 4.420 nan 0.000 0.218 490 P C 1.737 178.819 177.300 -0.363 0.000 1.148 490 P CA 2.009 64.625 63.100 -0.806 0.000 0.822 490 P CB -0.279 31.033 31.700 -0.647 0.000 0.784 491 G N 0.434 109.068 108.800 -0.278 0.000 2.408 491 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.217 491 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.217 491 G C 1.525 176.345 174.900 -0.134 0.000 1.150 491 G CA 0.526 45.530 45.100 -0.160 0.000 0.776 491 G HN 0.244 nan 8.290 nan 0.000 0.542 492 L N 0.465 121.595 121.223 -0.154 0.000 2.056 492 L HA 0.118 4.458 4.340 -0.000 0.000 0.207 492 L C 2.682 179.490 176.870 -0.104 0.000 1.078 492 L CA 1.338 56.112 54.840 -0.110 0.000 0.749 492 L CB -0.363 41.636 42.059 -0.101 0.000 0.901 492 L HN 0.200 nan 8.230 nan 0.000 0.433 493 L N -1.001 120.133 121.223 -0.148 0.000 2.083 493 L HA -0.183 4.157 4.340 -0.000 0.000 0.209 493 L C 2.773 179.599 176.870 -0.072 0.000 1.083 493 L CA 1.094 55.869 54.840 -0.108 0.000 0.752 493 L CB -0.612 41.360 42.059 -0.145 0.000 0.899 493 L HN 0.237 nan 8.230 nan 0.000 0.433 494 R N -0.172 120.277 120.500 -0.085 0.000 2.105 494 R HA -0.178 4.162 4.340 -0.000 0.000 0.239 494 R C 2.235 178.512 176.300 -0.038 0.000 1.135 494 R CA 1.318 57.388 56.100 -0.051 0.000 0.967 494 R CB -0.280 29.988 30.300 -0.053 0.000 0.861 494 R HN 0.210 nan 8.270 nan 0.000 0.442 495 L N 0.407 121.603 121.223 -0.045 0.000 2.109 495 L HA -0.074 4.266 4.340 -0.000 0.000 0.207 495 L C 1.995 178.851 176.870 -0.024 0.000 1.086 495 L CA 1.338 56.159 54.840 -0.032 0.000 0.760 495 L CB -0.124 41.915 42.059 -0.035 0.000 0.910 495 L HN 0.113 nan 8.230 nan 0.000 0.437 496 I N -1.206 119.348 120.570 -0.027 0.000 2.163 496 I HA -0.203 3.967 4.170 -0.000 0.000 0.240 496 I C 2.401 178.512 176.117 -0.010 0.000 1.081 496 I CA 1.450 62.740 61.300 -0.017 0.000 1.353 496 I CB -0.958 37.032 38.000 -0.017 0.000 1.054 496 I HN 0.315 nan 8.210 nan 0.000 0.407 497 G N 0.498 109.291 108.800 -0.010 0.000 2.448 497 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.219 497 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.219 497 G C 1.589 176.487 174.900 -0.003 0.000 1.127 497 G CA 0.389 45.487 45.100 -0.003 0.000 0.766 497 G HN 0.209 nan 8.290 nan 0.000 0.552 498 L N 0.356 121.575 121.223 -0.007 0.000 2.162 498 L HA 0.200 4.540 4.340 -0.000 0.000 0.205 498 L C 2.819 179.686 176.870 -0.005 0.000 1.086 498 L CA 1.771 56.607 54.840 -0.006 0.000 0.778 498 L CB -0.566 41.488 42.059 -0.008 0.000 0.928 498 L HN 0.108 nan 8.230 nan 0.000 0.446 499 T N -1.129 113.422 114.554 -0.006 0.000 2.698 499 T HA -0.067 4.283 4.350 -0.000 0.000 0.260 499 T C 0.745 175.444 174.700 -0.002 0.000 1.044 499 T CA 1.507 63.605 62.100 -0.004 0.000 1.149 499 T CB -0.328 68.537 68.868 -0.005 0.000 0.864 499 T HN 0.286 nan 8.240 nan 0.000 0.419 500 T N 2.846 117.399 114.554 -0.001 0.000 3.781 500 T HA 0.564 4.914 4.350 -0.000 0.000 0.286 500 T C -0.235 174.466 174.700 0.002 0.000 1.277 500 T CA 0.063 62.164 62.100 0.001 0.000 1.136 500 T CB -0.596 68.273 68.868 0.002 0.000 1.202 500 T HN 0.238 nan 8.240 nan 0.000 0.884 501 I N 0.000 120.571 120.570 0.002 0.000 2.984 501 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 501 I CA 0.000 61.302 61.300 0.003 0.000 1.566 501 I CB 0.000 38.002 38.000 0.002 0.000 1.214 501 I HN 0.000 nan 8.210 nan 0.000 0.494