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 3mc2_1_A DATA FIRST_RESID 3 DATA SEQUENCE EKTIRWcVVS DHEATKcSSF RDNMKKVLPA GGPAVTcVRK MSHPEcIRDI DATA SEQUENCE SANKVDAVTV DGALVAEADL PHHSLKPIMA EYYGSKDDPK THYYVVAMAK DATA SEQUENCE KGTGFQLNQL RGKKScHTGL GWSAGWYVPL STLLPSGSRE TAAATFFSSS DATA SEQUENCE cVPcADGKMF PSLcQLcAGK GTDKcAcSSR EPYFGSWGAL KcLQDGTADV DATA SEQUENCE SFVKHLTVFE AMPTKADRDQ YELLcMDNTR RPVEEYEQcY LARVPSHVVV DATA SEQUENCE ARSVDGKEDS IQELLRVAQE HFGKDKSSPF QLFGSPHGED LLFTDAAHGL DATA SEQUENCE LRVPRKIDIS LYLGYEFLSA FRNLKRXXXX SQRVKWcAVG QQERTKcDQW DATA SEQUENCE SAVSGGALAc ATEETPEDcI AATMKGEADA MSLDGGFAYV AGHcGLVPVL DATA SEQUENCE AENYLSTHSS GRLGSKcVNA PLEGYYVVAV VKKSDVGITW KSLQGKKScH DATA SEQUENCE TAVGTSEGWN VPMGLIYDQT GScKFDAFFS RScAPGSDPD SPLcALcVGG DATA SEQUENCE NNPAHMcAAN NAEGYHGSSG ALRcLVEKGD VAFMKHPTVL QNTDGKNPEP DATA SEQUENCE WAKGLKHEDF ELLcLDGTRK PVTEAQScHL ARVPNRAVFS RKDKADFVRR DATA SEQUENCE ILFNQQELFG RNGFEYMMFQ MFESSAKDLL FSDDTEcLSN LQDKTTYKTY DATA SEQUENCE LGPQYLTLMD NFRQcLSSEL LDAcTFHKY 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 E HA 0.000 nan 4.350 nan 0.000 0.291 3 E C 0.000 176.599 176.600 -0.001 0.000 1.382 3 E CA 0.000 56.398 56.400 -0.003 0.000 0.976 3 E CB 0.000 29.698 29.700 -0.003 0.000 0.812 4 K N 0.606 121.007 120.400 0.002 0.000 2.706 4 K HA 0.173 4.493 4.320 0.000 0.000 0.217 4 K C -0.465 176.142 176.600 0.012 0.000 1.019 4 K CA 0.109 56.400 56.287 0.006 0.000 1.181 4 K CB -0.155 32.350 32.500 0.008 0.000 0.940 4 K HN 0.257 nan 8.250 nan 0.000 0.491 5 T N 2.624 117.185 114.554 0.010 0.000 2.727 5 T HA 0.143 4.493 4.350 0.000 0.000 0.295 5 T C 0.049 174.767 174.700 0.030 0.000 0.915 5 T CA -0.566 61.544 62.100 0.016 0.000 1.066 5 T CB 0.434 69.306 68.868 0.007 0.000 0.891 5 T HN 0.381 nan 8.240 nan 0.000 0.516 6 I N 4.964 125.566 120.570 0.053 0.000 2.517 6 I HA 0.188 4.358 4.170 0.000 0.000 0.285 6 I C 0.109 176.294 176.117 0.114 0.000 1.106 6 I CA -0.427 60.922 61.300 0.082 0.000 1.402 6 I CB 0.171 38.255 38.000 0.140 0.000 1.399 6 I HN 0.483 nan 8.210 nan 0.000 0.535 7 R N 7.973 128.516 120.500 0.072 0.000 2.202 7 R HA 0.229 4.569 4.340 0.000 0.000 0.334 7 R C -0.863 175.500 176.300 0.105 0.000 1.036 7 R CA -0.533 55.620 56.100 0.089 0.000 0.878 7 R CB 0.983 31.304 30.300 0.035 0.000 1.067 7 R HN 0.638 nan 8.270 nan 0.000 0.457 8 W N 4.520 125.848 121.300 0.047 0.000 2.390 8 W HA 0.198 4.858 4.660 0.000 0.000 0.312 8 W C -0.343 176.202 176.519 0.043 0.000 1.123 8 W CA -1.180 56.197 57.345 0.055 0.000 1.202 8 W CB 1.449 30.969 29.460 0.101 0.000 1.251 8 W HN 0.487 nan 8.180 nan 0.000 0.511 9 c N 7.427 126.030 118.600 0.005 0.000 2.566 9 c HA 0.401 4.971 4.570 0.000 0.000 0.393 9 c C 0.503 174.767 174.090 0.289 0.000 1.309 9 c CA -0.245 56.143 56.329 0.098 0.000 1.801 9 c CB -1.342 41.150 42.510 -0.030 0.000 2.493 9 c HN 0.343 nan 8.230 nan 0.000 0.575 10 V N 5.715 125.765 119.914 0.225 0.000 2.864 10 V HA 0.794 4.915 4.120 0.000 0.000 0.314 10 V C 0.069 176.242 176.094 0.133 0.000 1.073 10 V CA -0.283 62.140 62.300 0.206 0.000 0.956 10 V CB 1.516 33.442 31.823 0.172 0.000 1.023 10 V HN 0.768 nan 8.190 nan 0.000 0.435 11 V N -0.493 119.483 119.914 0.103 0.000 3.548 11 V HA 0.442 4.562 4.120 0.000 0.000 0.279 11 V C 0.664 176.763 176.094 0.009 0.000 1.446 11 V CA 0.873 63.196 62.300 0.038 0.000 1.023 11 V CB -0.310 31.505 31.823 -0.013 0.000 0.820 11 V HN 1.188 nan 8.190 nan 0.000 0.438 12 S N -0.427 115.301 115.700 0.047 0.000 2.810 12 S HA 0.577 5.047 4.470 0.000 0.000 0.315 12 S C 0.033 174.664 174.600 0.052 0.000 1.138 12 S CA 0.111 58.355 58.200 0.073 0.000 0.889 12 S CB 1.793 65.103 63.200 0.184 0.000 1.236 12 S HN 0.074 nan 8.310 nan 0.000 0.548 13 D N -0.083 120.298 120.400 -0.032 0.000 2.271 13 D HA 0.132 4.772 4.640 0.000 0.000 0.206 13 D C 1.352 177.571 176.300 -0.135 0.000 0.967 13 D CA 1.064 54.973 54.000 -0.153 0.000 0.867 13 D CB -0.265 40.361 40.800 -0.289 0.000 0.960 13 D HN 0.703 nan 8.370 nan 0.000 0.509 14 H N 0.103 119.152 119.070 -0.036 0.000 2.462 14 H HA 0.083 4.639 4.556 0.000 0.000 0.292 14 H C 1.587 176.924 175.328 0.015 0.000 1.049 14 H CA 0.873 56.921 56.048 -0.000 0.000 1.334 14 H CB -0.091 29.660 29.762 -0.020 0.000 1.404 14 H HN 0.172 nan 8.280 nan 0.000 0.544 15 E N 0.446 120.743 120.200 0.162 0.000 2.371 15 E HA 0.048 4.398 4.350 0.000 0.000 0.194 15 E C 1.969 178.618 176.600 0.081 0.000 1.012 15 E CA 0.477 56.937 56.400 0.099 0.000 0.860 15 E CB 0.079 29.837 29.700 0.096 0.000 0.811 15 E HN 0.504 nan 8.360 nan 0.000 0.502 16 A N 0.351 123.212 122.820 0.069 0.000 1.975 16 A HA -0.087 4.233 4.320 0.000 0.000 0.215 16 A C 2.316 179.923 177.584 0.039 0.000 1.170 16 A CA 1.451 53.519 52.037 0.052 0.000 0.656 16 A CB -0.615 18.403 19.000 0.029 0.000 0.821 16 A HN 0.401 nan 8.150 nan 0.000 0.449 17 T N -2.017 112.561 114.554 0.040 0.000 2.904 17 T HA -0.071 4.280 4.350 0.000 0.000 0.267 17 T C 1.853 176.586 174.700 0.055 0.000 1.059 17 T CA 1.528 63.650 62.100 0.037 0.000 1.137 17 T CB -0.176 68.721 68.868 0.048 0.000 0.879 17 T HN 0.448 nan 8.240 nan 0.000 0.467 18 K N -0.023 120.427 120.400 0.083 0.000 2.062 18 K HA -0.009 4.311 4.320 0.000 0.000 0.205 18 K C 2.645 179.311 176.600 0.110 0.000 1.051 18 K CA 1.052 57.414 56.287 0.125 0.000 0.941 18 K CB -0.597 31.961 32.500 0.096 0.000 0.719 18 K HN 0.449 nan 8.250 nan 0.000 0.440 19 c N 0.763 119.400 118.600 0.062 0.000 2.425 19 c HA -0.028 4.542 4.570 0.000 0.000 0.277 19 c C 2.569 176.679 174.090 0.034 0.000 1.280 19 c CA 1.436 57.804 56.329 0.065 0.000 1.744 19 c CB -0.916 41.635 42.510 0.068 0.000 1.989 19 c HN 0.498 nan 8.230 nan 0.000 0.491 20 S N -0.058 115.640 115.700 -0.003 0.000 2.402 20 S HA -0.148 4.322 4.470 0.000 0.000 0.229 20 S C 2.089 176.608 174.600 -0.135 0.000 1.021 20 S CA 1.554 59.723 58.200 -0.052 0.000 0.974 20 S CB -0.425 62.754 63.200 -0.036 0.000 0.800 20 S HN 0.783 nan 8.310 nan 0.000 0.484 21 S N 0.265 115.864 115.700 -0.169 0.000 2.461 21 S HA 0.035 4.505 4.470 0.000 0.000 0.228 21 S C 1.462 175.579 174.600 -0.805 0.000 1.005 21 S CA 0.300 58.267 58.200 -0.388 0.000 0.942 21 S CB -0.333 62.700 63.200 -0.278 0.000 0.776 21 S HN 0.493 nan 8.310 nan 0.000 0.514 22 F N 3.001 122.485 119.950 -0.776 0.000 2.234 22 F HA 0.226 4.753 4.527 0.000 0.000 0.296 22 F C 2.206 177.701 175.800 -0.508 0.000 1.089 22 F CA 1.110 58.640 58.000 -0.783 0.000 1.343 22 F CB -0.605 38.219 39.000 -0.294 0.000 1.040 22 F HN 0.167 nan 8.300 nan 0.000 0.498 23 R N 0.362 120.638 120.500 -0.373 0.000 2.062 23 R HA -0.145 4.195 4.340 0.000 0.000 0.231 23 R C 1.818 177.922 176.300 -0.325 0.000 1.136 23 R CA 2.117 58.008 56.100 -0.348 0.000 0.948 23 R CB -0.662 29.530 30.300 -0.179 0.000 0.845 23 R HN 0.150 nan 8.270 nan 0.000 0.430 24 D N 0.463 120.690 120.400 -0.288 0.000 2.117 24 D HA -0.136 4.504 4.640 0.000 0.000 0.197 24 D C 1.579 177.733 176.300 -0.244 0.000 0.987 24 D CA 1.054 54.916 54.000 -0.229 0.000 0.829 24 D CB -0.437 40.246 40.800 -0.194 0.000 0.961 24 D HN 0.339 nan 8.370 nan 0.000 0.460 25 N N 0.010 118.483 118.700 -0.379 0.000 2.270 25 N HA -0.047 4.693 4.740 0.000 0.000 0.181 25 N C 1.712 177.098 175.510 -0.207 0.000 1.016 25 N CA 0.558 53.414 53.050 -0.323 0.000 0.870 25 N CB 0.031 38.067 38.487 -0.751 0.000 0.979 25 N HN 0.153 nan 8.380 nan 0.000 0.431 26 M N 0.902 120.281 119.600 -0.367 0.000 2.349 26 M HA -0.026 4.455 4.480 0.000 0.000 0.266 26 M C 2.011 178.209 176.300 -0.170 0.000 1.076 26 M CA 0.777 55.918 55.300 -0.265 0.000 1.126 26 M CB -0.640 31.642 32.600 -0.529 0.000 1.392 26 M HN 0.035 nan 8.290 nan 0.000 0.440 27 K N 0.715 121.007 120.400 -0.179 0.000 2.209 27 K HA -0.153 4.168 4.320 0.000 0.000 0.204 27 K C 1.799 178.348 176.600 -0.084 0.000 1.048 27 K CA 1.213 57.428 56.287 -0.121 0.000 0.940 27 K CB 0.228 32.659 32.500 -0.115 0.000 0.729 27 K HN 0.265 nan 8.250 nan 0.000 0.451 28 K N 0.079 120.434 120.400 -0.075 0.000 2.044 28 K HA -0.072 4.248 4.320 0.000 0.000 0.204 28 K C 2.113 178.664 176.600 -0.082 0.000 1.049 28 K CA 1.424 57.677 56.287 -0.056 0.000 0.945 28 K CB 0.031 32.515 32.500 -0.027 0.000 0.724 28 K HN 0.132 nan 8.250 nan 0.000 0.440 29 V N -0.614 119.230 119.914 -0.117 0.000 2.407 29 V HA 0.003 4.123 4.120 0.000 0.000 0.245 29 V C 0.993 177.006 176.094 -0.137 0.000 1.041 29 V CA 0.723 62.866 62.300 -0.262 0.000 1.040 29 V CB -0.324 31.163 31.823 -0.560 0.000 0.671 29 V HN 0.125 nan 8.190 nan 0.000 0.455 30 L N 3.009 124.188 121.223 -0.073 0.000 2.502 30 L HA 0.599 4.939 4.340 0.000 0.000 0.247 30 L C -1.820 175.029 176.870 -0.035 0.000 1.180 30 L CA -1.514 53.310 54.840 -0.027 0.000 0.956 30 L CB 1.389 43.450 42.059 0.003 0.000 1.282 30 L HN 0.063 nan 8.230 nan 0.000 0.470 31 P HA 0.261 nan 4.420 nan 0.000 0.245 31 P C -0.037 177.253 177.300 -0.017 0.000 1.199 31 P CA 0.286 63.368 63.100 -0.030 0.000 0.807 31 P CB 0.894 32.575 31.700 -0.031 0.000 1.002 32 A N -0.496 122.320 122.820 -0.006 0.000 2.393 32 A HA 0.639 4.960 4.320 0.000 0.000 0.306 32 A C 0.540 178.129 177.584 0.010 0.000 1.050 32 A CA -0.211 51.827 52.037 0.001 0.000 0.724 32 A CB 0.875 19.877 19.000 0.003 0.000 1.248 32 A HN 0.128 nan 8.150 nan 0.000 0.424 33 G N 0.490 109.297 108.800 0.012 0.000 2.256 33 G HA2 0.394 4.354 3.960 0.000 0.000 0.272 33 G HA3 0.394 4.354 3.960 0.000 0.000 0.272 33 G C 0.716 175.631 174.900 0.024 0.000 1.076 33 G CA 0.484 45.596 45.100 0.021 0.000 0.882 33 G HN 2.693 nan 8.290 nan 0.000 0.497 34 G N -0.716 108.093 108.800 0.014 0.000 2.405 34 G HA2 0.631 4.591 3.960 0.000 0.000 0.312 34 G HA3 0.631 4.591 3.960 0.000 0.000 0.312 34 G C -2.936 171.962 174.900 -0.004 0.000 1.579 34 G CA -0.197 44.910 45.100 0.012 0.000 0.933 34 G HN 0.313 nan 8.290 nan 0.000 0.628 35 P HA 0.619 nan 4.420 nan 0.000 0.279 35 P C 0.415 177.695 177.300 -0.033 0.000 1.252 35 P CA -0.225 62.871 63.100 -0.008 0.000 0.811 35 P CB 1.438 33.144 31.700 0.011 0.000 1.035 36 A N 1.405 124.201 122.820 -0.039 0.000 2.292 36 A HA 0.498 4.818 4.320 0.000 0.000 0.265 36 A C -0.346 177.206 177.584 -0.053 0.000 1.133 36 A CA -0.112 51.884 52.037 -0.069 0.000 0.807 36 A CB 0.021 18.987 19.000 -0.057 0.000 1.102 36 A HN 0.360 nan 8.150 nan 0.000 0.502 37 V N -0.395 119.473 119.914 -0.077 0.000 2.823 37 V HA 0.699 4.819 4.120 0.000 0.000 0.312 37 V C 0.023 176.125 176.094 0.013 0.000 1.072 37 V CA 0.078 62.371 62.300 -0.013 0.000 0.937 37 V CB 1.899 33.671 31.823 -0.085 0.000 1.013 37 V HN 1.237 nan 8.190 nan 0.000 0.430 38 T N -0.393 114.207 114.554 0.076 0.000 2.916 38 T HA 0.471 4.821 4.350 0.000 0.000 0.298 38 T C -0.724 174.045 174.700 0.115 0.000 1.031 38 T CA -0.580 61.558 62.100 0.064 0.000 0.993 38 T CB 1.174 70.067 68.868 0.042 0.000 1.045 38 T HN 0.682 nan 8.240 nan 0.000 0.454 39 c N 3.711 122.368 118.600 0.095 0.000 2.246 39 c HA 0.659 5.229 4.570 0.000 0.000 0.329 39 c C 0.401 174.547 174.090 0.093 0.000 1.221 39 c CA -0.873 55.531 56.329 0.125 0.000 1.697 39 c CB -0.867 41.704 42.510 0.101 0.000 2.312 39 c HN 0.783 nan 8.230 nan 0.000 0.509 40 V N 4.647 124.624 119.914 0.105 0.000 2.370 40 V HA 0.439 4.560 4.120 0.000 0.000 0.279 40 V C 0.379 176.519 176.094 0.075 0.000 1.029 40 V CA -0.394 61.947 62.300 0.069 0.000 0.870 40 V CB 1.228 33.082 31.823 0.052 0.000 0.984 40 V HN 0.874 nan 8.190 nan 0.000 0.451 41 R N 4.854 125.387 120.500 0.055 0.000 2.500 41 R HA 0.628 4.968 4.340 0.000 0.000 0.277 41 R C -0.686 175.639 176.300 0.041 0.000 1.026 41 R CA -0.353 55.779 56.100 0.052 0.000 1.058 41 R CB 0.824 31.144 30.300 0.034 0.000 1.078 41 R HN 0.572 nan 8.270 nan 0.000 0.509 42 K N 3.155 123.581 120.400 0.044 0.000 2.556 42 K HA 0.153 4.473 4.320 0.000 0.000 0.274 42 K C 0.072 176.687 176.600 0.025 0.000 0.966 42 K CA -0.863 55.445 56.287 0.035 0.000 0.865 42 K CB 1.411 33.938 32.500 0.046 0.000 1.444 42 K HN 0.540 nan 8.250 nan 0.000 0.433 43 M N 0.882 120.489 119.600 0.012 0.000 2.086 43 M HA -0.107 4.373 4.480 0.000 0.000 0.261 43 M C 0.600 176.889 176.300 -0.018 0.000 1.067 43 M CA 1.667 56.961 55.300 -0.009 0.000 1.116 43 M CB 0.072 32.665 32.600 -0.012 0.000 1.348 43 M HN 0.709 nan 8.290 nan 0.000 0.407 44 S N -3.482 112.231 115.700 0.022 0.000 2.638 44 S HA 0.335 4.805 4.470 0.000 0.000 0.274 44 S C 0.473 175.171 174.600 0.162 0.000 1.157 44 S CA -0.839 57.390 58.200 0.050 0.000 0.826 44 S CB 0.368 63.593 63.200 0.042 0.000 1.139 44 S HN 0.429 nan 8.310 nan 0.000 0.474 45 H N 0.775 119.927 119.070 0.136 0.000 2.387 45 H HA -0.011 4.546 4.556 0.000 0.000 0.299 45 H C -1.016 174.320 175.328 0.013 0.000 1.099 45 H CA 1.561 57.670 56.048 0.103 0.000 1.315 45 H CB -0.876 29.000 29.762 0.189 0.000 1.380 45 H HN 0.443 nan 8.280 nan 0.000 0.513 46 P HA -0.114 nan 4.420 nan 0.000 0.223 46 P C 1.056 178.373 177.300 0.028 0.000 1.151 46 P CA 1.235 64.355 63.100 0.033 0.000 0.787 46 P CB 0.103 31.820 31.700 0.028 0.000 0.788 47 E N -1.383 118.847 120.200 0.051 0.000 2.170 47 E HA -0.104 4.246 4.350 0.000 0.000 0.191 47 E C 1.416 178.031 176.600 0.025 0.000 0.981 47 E CA 0.699 57.118 56.400 0.032 0.000 0.830 47 E CB -0.383 29.338 29.700 0.035 0.000 0.775 47 E HN 0.097 nan 8.360 nan 0.000 0.470 48 c N 0.833 119.458 118.600 0.041 0.000 2.440 48 c HA -0.083 4.487 4.570 0.000 0.000 0.278 48 c C 2.344 176.405 174.090 -0.048 0.000 1.295 48 c CA 0.085 56.416 56.329 0.003 0.000 1.738 48 c CB -0.712 41.812 42.510 0.023 0.000 1.987 48 c HN 0.517 nan 8.230 nan 0.000 0.492 49 I N 1.313 121.851 120.570 -0.053 0.000 2.179 49 I HA -0.135 4.035 4.170 0.000 0.000 0.242 49 I C 2.556 178.655 176.117 -0.029 0.000 1.088 49 I CA 1.575 62.835 61.300 -0.067 0.000 1.357 49 I CB -1.499 36.459 38.000 -0.069 0.000 1.051 49 I HN 0.385 nan 8.210 nan 0.000 0.409 50 R N 0.875 121.368 120.500 -0.013 0.000 2.097 50 R HA -0.192 4.148 4.340 0.000 0.000 0.236 50 R C 1.888 178.192 176.300 0.007 0.000 1.135 50 R CA 1.844 57.934 56.100 -0.018 0.000 0.934 50 R CB -0.460 29.827 30.300 -0.022 0.000 0.846 50 R HN 0.355 nan 8.270 nan 0.000 0.431 51 D N 0.399 120.805 120.400 0.010 0.000 2.263 51 D HA -0.098 4.542 4.640 0.000 0.000 0.208 51 D C 1.795 178.097 176.300 0.004 0.000 0.971 51 D CA 0.942 54.954 54.000 0.020 0.000 0.867 51 D CB -0.046 40.759 40.800 0.009 0.000 0.929 51 D HN 0.297 nan 8.370 nan 0.000 0.492 52 I N 0.291 120.847 120.570 -0.022 0.000 2.546 52 I HA -0.163 4.007 4.170 0.000 0.000 0.255 52 I C 2.038 178.142 176.117 -0.021 0.000 1.163 52 I CA 0.552 61.822 61.300 -0.049 0.000 1.457 52 I CB 0.073 38.017 38.000 -0.093 0.000 1.092 52 I HN -0.129 nan 8.210 nan 0.000 0.434 53 S N 0.687 116.400 115.700 0.022 0.000 2.414 53 S HA 0.036 4.507 4.470 0.000 0.000 0.227 53 S C 2.039 176.683 174.600 0.073 0.000 1.022 53 S CA 0.996 59.237 58.200 0.068 0.000 0.958 53 S CB 0.003 63.282 63.200 0.132 0.000 0.797 53 S HN 0.495 nan 8.310 nan 0.000 0.493 54 A N 1.196 124.084 122.820 0.113 0.000 2.238 54 A HA 0.174 4.494 4.320 0.000 0.000 0.208 54 A C 0.988 178.548 177.584 -0.040 0.000 1.177 54 A CA 0.261 52.313 52.037 0.024 0.000 0.804 54 A CB -0.303 18.767 19.000 0.116 0.000 0.823 54 A HN 0.446 nan 8.150 nan 0.000 0.482 55 N N -1.514 117.168 118.700 -0.029 0.000 2.882 55 N HA -0.144 4.596 4.740 0.000 0.000 0.249 55 N C 0.609 176.103 175.510 -0.026 0.000 1.079 55 N CA 1.377 54.405 53.050 -0.037 0.000 0.800 55 N CB -1.230 37.229 38.487 -0.048 0.000 1.124 55 N HN 0.703 nan 8.380 nan 0.000 0.557 56 K N -0.759 119.631 120.400 -0.017 0.000 2.242 56 K HA 0.155 4.475 4.320 0.000 0.000 0.200 56 K C 0.879 177.469 176.600 -0.017 0.000 1.050 56 K CA 1.055 57.336 56.287 -0.011 0.000 0.981 56 K CB 0.613 33.113 32.500 -0.001 0.000 0.795 56 K HN 0.056 nan 8.250 nan 0.000 0.477 57 V N 0.581 120.476 119.914 -0.032 0.000 3.145 57 V HA 0.171 4.291 4.120 0.000 0.000 0.311 57 V C -0.262 175.786 176.094 -0.078 0.000 1.238 57 V CA -0.715 61.554 62.300 -0.051 0.000 1.066 57 V CB 1.962 33.742 31.823 -0.071 0.000 1.144 57 V HN -0.050 nan 8.190 nan 0.000 0.465 58 D N -0.227 120.102 120.400 -0.118 0.000 2.504 58 D HA 0.539 5.179 4.640 0.000 0.000 0.276 58 D C 0.238 176.395 176.300 -0.237 0.000 1.073 58 D CA 1.029 54.950 54.000 -0.133 0.000 0.905 58 D CB 1.275 42.027 40.800 -0.080 0.000 1.350 58 D HN 0.746 nan 8.370 nan 0.000 0.496 59 A N 0.256 122.823 122.820 -0.421 0.000 2.594 59 A HA 0.682 5.002 4.320 0.000 0.000 0.295 59 A C -1.638 175.261 177.584 -1.142 0.000 1.071 59 A CA -0.595 51.017 52.037 -0.709 0.000 0.685 59 A CB 2.008 20.524 19.000 -0.807 0.000 1.285 59 A HN -0.016 nan 8.150 nan 0.000 0.405 60 V N 0.252 119.622 119.914 -0.907 0.000 3.204 60 V HA 0.752 4.872 4.120 0.000 0.000 0.298 60 V C -1.089 174.773 176.094 -0.386 0.000 1.328 60 V CA -0.226 61.662 62.300 -0.686 0.000 1.035 60 V CB 2.567 34.150 31.823 -0.400 0.000 1.095 60 V HN 1.106 nan 8.190 nan 0.000 0.442 61 T N 4.683 119.154 114.554 -0.138 0.000 2.801 61 T HA 0.629 4.979 4.350 0.000 0.000 0.306 61 T C -0.312 174.341 174.700 -0.078 0.000 1.020 61 T CA -0.137 61.937 62.100 -0.043 0.000 0.948 61 T CB 0.715 69.573 68.868 -0.016 0.000 0.962 61 T HN 1.029 nan 8.240 nan 0.000 0.465 62 V N 0.040 119.843 119.914 -0.185 0.000 3.181 62 V HA 0.681 4.801 4.120 0.000 0.000 0.314 62 V C -0.339 175.556 176.094 -0.331 0.000 1.173 62 V CA -1.305 60.821 62.300 -0.291 0.000 1.052 62 V CB 1.791 33.338 31.823 -0.460 0.000 1.123 62 V HN 0.538 nan 8.190 nan 0.000 0.454 63 D N 0.825 120.959 120.400 -0.443 0.000 2.336 63 D HA 0.281 4.921 4.640 0.000 0.000 0.249 63 D C 1.384 177.546 176.300 -0.229 0.000 1.213 63 D CA 0.697 54.482 54.000 -0.359 0.000 0.870 63 D CB 1.406 42.120 40.800 -0.144 0.000 1.076 63 D HN 0.876 nan 8.370 nan 0.000 0.483 64 G N 3.370 112.101 108.800 -0.114 0.000 2.549 64 G HA2 -0.290 3.670 3.960 0.000 0.000 0.222 64 G HA3 -0.290 3.670 3.960 0.000 0.000 0.222 64 G C 1.397 176.198 174.900 -0.165 0.000 1.100 64 G CA 0.981 46.010 45.100 -0.118 0.000 0.739 64 G HN 0.614 nan 8.290 nan 0.000 0.577 65 A N 0.433 123.168 122.820 -0.141 0.000 1.933 65 A HA 0.081 4.402 4.320 0.000 0.000 0.218 65 A C 2.384 179.968 177.584 0.000 0.000 1.175 65 A CA 1.263 53.293 52.037 -0.012 0.000 0.628 65 A CB -0.284 18.935 19.000 0.364 0.000 0.814 65 A HN 0.391 nan 8.150 nan 0.000 0.444 66 L N -0.474 120.656 121.223 -0.156 0.000 2.093 66 L HA -0.093 4.247 4.340 0.000 0.000 0.208 66 L C 1.744 178.531 176.870 -0.139 0.000 1.085 66 L CA 0.647 55.364 54.840 -0.205 0.000 0.755 66 L CB -0.270 41.537 42.059 -0.421 0.000 0.904 66 L HN 0.203 nan 8.230 nan 0.000 0.435 67 V N 0.057 119.876 119.914 -0.159 0.000 3.611 67 V HA 0.032 4.152 4.120 0.000 0.000 0.281 67 V C 1.923 177.943 176.094 -0.122 0.000 1.247 67 V CA 0.901 63.123 62.300 -0.130 0.000 1.198 67 V CB -0.829 30.909 31.823 -0.142 0.000 0.977 67 V HN 0.383 nan 8.190 nan 0.000 0.445 68 A N -0.108 122.622 122.820 -0.150 0.000 2.251 68 A HA 0.171 4.491 4.320 0.000 0.000 0.209 68 A C 1.174 178.733 177.584 -0.041 0.000 1.187 68 A CA 0.219 52.106 52.037 -0.249 0.000 0.823 68 A CB -0.074 18.496 19.000 -0.717 0.000 0.846 68 A HN 0.456 nan 8.150 nan 0.000 0.486 69 E N -0.326 119.872 120.200 -0.004 0.000 2.947 69 E HA 0.548 4.898 4.350 0.000 0.000 0.229 69 E C 0.288 176.845 176.600 -0.072 0.000 1.158 69 E CA 0.496 56.882 56.400 -0.024 0.000 1.441 69 E CB 0.604 30.277 29.700 -0.045 0.000 1.414 69 E HN 0.378 nan 8.360 nan 0.000 0.432 70 A N 0.922 123.734 122.820 -0.014 0.000 2.622 70 A HA 0.133 4.453 4.320 0.000 0.000 0.283 70 A C 0.179 177.799 177.584 0.061 0.000 0.998 70 A CA -0.438 51.629 52.037 0.051 0.000 0.985 70 A CB 0.039 19.050 19.000 0.017 0.000 1.236 70 A HN 0.221 nan 8.150 nan 0.000 0.559 71 D N -0.297 120.130 120.400 0.045 0.000 2.525 71 D HA 0.450 5.091 4.640 0.000 0.000 0.229 71 D C 0.191 176.529 176.300 0.064 0.000 1.202 71 D CA -0.092 53.936 54.000 0.048 0.000 0.828 71 D CB 0.115 40.938 40.800 0.039 0.000 1.008 71 D HN 0.363 nan 8.370 nan 0.000 0.493 72 L N -0.588 120.699 121.223 0.105 0.000 2.235 72 L HA 0.610 4.950 4.340 0.000 0.000 0.260 72 L C -2.328 174.667 176.870 0.208 0.000 1.025 72 L CA -2.778 52.150 54.840 0.147 0.000 0.836 72 L CB 1.661 43.803 42.059 0.138 0.000 1.395 72 L HN -0.203 nan 8.230 nan 0.000 0.443 73 P HA 0.080 nan 4.420 nan 0.000 0.282 73 P C -0.312 177.032 177.300 0.073 0.000 1.274 73 P CA 0.554 63.726 63.100 0.120 0.000 0.770 73 P CB 0.736 32.488 31.700 0.086 0.000 0.867 74 H N 2.530 121.509 119.070 -0.150 0.000 3.434 74 H HA -0.137 4.419 4.556 0.000 0.000 0.191 74 H C -0.444 174.619 175.328 -0.441 0.000 1.037 74 H CA 1.179 57.047 56.048 -0.300 0.000 1.187 74 H CB -2.175 27.362 29.762 -0.375 0.000 1.080 74 H HN 0.667 nan 8.280 nan 0.000 0.338 75 H N -0.927 118.199 119.070 0.094 0.000 3.058 75 H HA 0.361 4.917 4.556 0.000 0.000 0.266 75 H C 0.252 175.586 175.328 0.010 0.000 1.135 75 H CA 0.447 56.503 56.048 0.013 0.000 1.174 75 H CB 0.721 30.471 29.762 -0.021 0.000 1.581 75 H HN 0.103 nan 8.280 nan 0.000 0.553 76 S N 2.371 118.130 115.700 0.098 0.000 2.430 76 S HA 0.348 4.818 4.470 0.000 0.000 0.282 76 S C 0.252 174.859 174.600 0.012 0.000 1.186 76 S CA -0.045 58.184 58.200 0.047 0.000 1.060 76 S CB 0.239 63.457 63.200 0.030 0.000 0.966 76 S HN 0.207 nan 8.310 nan 0.000 0.501 77 L N 3.324 124.543 121.223 -0.007 0.000 2.424 77 L HA 0.672 5.012 4.340 0.000 0.000 0.258 77 L C -0.827 176.008 176.870 -0.058 0.000 0.995 77 L CA -1.127 53.690 54.840 -0.040 0.000 0.821 77 L CB 2.262 44.289 42.059 -0.053 0.000 1.383 77 L HN 0.491 nan 8.230 nan 0.000 0.410 78 K N 0.679 121.032 120.400 -0.078 0.000 2.502 78 K HA 0.658 4.978 4.320 0.000 0.000 0.257 78 K C -3.008 173.512 176.600 -0.133 0.000 0.938 78 K CA -1.719 54.511 56.287 -0.096 0.000 0.819 78 K CB 1.881 34.334 32.500 -0.078 0.000 1.333 78 K HN 0.082 nan 8.250 nan 0.000 0.434 79 P HA 0.119 nan 4.420 nan 0.000 0.276 79 P C 0.112 177.289 177.300 -0.204 0.000 1.235 79 P CA -0.390 62.563 63.100 -0.245 0.000 0.772 79 P CB 0.635 32.066 31.700 -0.448 0.000 0.871 80 I N -0.704 119.784 120.570 -0.138 0.000 4.139 80 I HA 0.366 4.537 4.170 0.000 0.000 0.320 80 I C 0.498 176.595 176.117 -0.033 0.000 1.290 80 I CA 0.187 61.435 61.300 -0.086 0.000 1.253 80 I CB 0.189 38.164 38.000 -0.042 0.000 1.122 80 I HN 0.131 nan 8.210 nan 0.000 0.421 81 M N 1.789 121.395 119.600 0.009 0.000 2.518 81 M HA 0.789 5.269 4.480 0.000 0.000 0.300 81 M C -1.577 174.806 176.300 0.139 0.000 1.175 81 M CA -0.504 54.868 55.300 0.121 0.000 0.890 81 M CB 2.419 35.150 32.600 0.220 0.000 1.710 81 M HN 0.179 nan 8.290 nan 0.000 0.453 82 A N 2.740 125.718 122.820 0.264 0.000 2.374 82 A HA 0.702 5.023 4.320 0.000 0.000 0.305 82 A C -1.003 176.787 177.584 0.343 0.000 1.053 82 A CA -0.702 51.541 52.037 0.343 0.000 0.726 82 A CB 0.925 20.289 19.000 0.607 0.000 1.229 82 A HN 0.811 nan 8.150 nan 0.000 0.431 83 E N 0.352 120.719 120.200 0.278 0.000 2.390 83 E HA 0.420 4.770 4.350 0.000 0.000 0.261 83 E C -1.017 175.564 176.600 -0.032 0.000 1.076 83 E CA 0.265 56.724 56.400 0.098 0.000 0.905 83 E CB 0.806 30.534 29.700 0.046 0.000 0.984 83 E HN 0.651 nan 8.360 nan 0.000 0.427 84 Y N -0.656 119.427 120.300 -0.361 0.000 2.562 84 Y HA 0.564 5.114 4.550 0.000 0.000 0.345 84 Y C -1.660 173.886 175.900 -0.589 0.000 1.045 84 Y CA -1.229 56.605 58.100 -0.443 0.000 1.028 84 Y CB 0.897 39.251 38.460 -0.177 0.000 1.297 84 Y HN 0.357 nan 8.280 nan 0.000 0.463 85 Y N 1.312 121.731 120.300 0.198 0.000 2.524 85 Y HA 0.734 5.285 4.550 0.000 0.000 0.344 85 Y C 0.851 176.830 175.900 0.131 0.000 1.012 85 Y CA -0.345 57.866 58.100 0.185 0.000 1.068 85 Y CB 2.193 40.745 38.460 0.154 0.000 1.249 85 Y HN 1.124 nan 8.280 nan 0.000 0.468 86 G N 0.777 109.586 108.800 0.015 0.000 2.979 86 G HA2 -0.078 3.882 3.960 0.000 0.000 0.238 86 G HA3 -0.078 3.882 3.960 0.000 0.000 0.238 86 G C -0.291 174.343 174.900 -0.442 0.000 1.805 86 G CA 0.038 45.020 45.100 -0.197 0.000 1.389 86 G HN 0.763 nan 8.290 nan 0.000 0.517 87 S N -0.957 114.687 115.700 -0.095 0.000 2.819 87 S HA 0.618 5.089 4.470 0.000 0.000 0.299 87 S C 0.530 175.206 174.600 0.127 0.000 1.192 87 S CA -0.006 58.178 58.200 -0.027 0.000 0.847 87 S CB 1.866 65.040 63.200 -0.044 0.000 1.224 87 S HN 0.570 nan 8.310 nan 0.000 0.537 88 K N 0.556 120.998 120.400 0.070 0.000 2.211 88 K HA 0.070 4.390 4.320 0.000 0.000 0.201 88 K C 0.591 177.123 176.600 -0.112 0.000 1.052 88 K CA 1.033 57.306 56.287 -0.023 0.000 0.973 88 K CB -0.162 32.363 32.500 0.041 0.000 0.766 88 K HN 0.412 nan 8.250 nan 0.000 0.466 89 D N 1.490 121.855 120.400 -0.058 0.000 2.117 89 D HA -0.119 4.522 4.640 0.000 0.000 0.198 89 D C 0.231 176.488 176.300 -0.072 0.000 0.982 89 D CA 1.174 55.140 54.000 -0.057 0.000 0.828 89 D CB -0.001 40.781 40.800 -0.029 0.000 0.967 89 D HN 0.298 nan 8.370 nan 0.000 0.464 90 D N 0.627 120.990 120.400 -0.063 0.000 2.479 90 D HA 0.126 4.766 4.640 0.000 0.000 0.247 90 D C -2.671 173.591 176.300 -0.062 0.000 1.119 90 D CA -1.790 52.182 54.000 -0.047 0.000 0.922 90 D CB 1.045 41.841 40.800 -0.006 0.000 1.014 90 D HN 0.071 nan 8.370 nan 0.000 0.510 91 P HA 0.154 nan 4.420 nan 0.000 0.282 91 P C -0.446 176.847 177.300 -0.013 0.000 1.274 91 P CA -0.416 62.559 63.100 -0.209 0.000 0.770 91 P CB 1.238 32.686 31.700 -0.420 0.000 0.867 92 K N 3.098 123.554 120.400 0.093 0.000 2.299 92 K HA 0.251 4.571 4.320 0.000 0.000 0.268 92 K C 0.200 176.831 176.600 0.053 0.000 1.075 92 K CA -0.376 55.950 56.287 0.064 0.000 0.936 92 K CB 0.143 32.679 32.500 0.060 0.000 1.228 92 K HN 0.358 nan 8.250 nan 0.000 0.454 93 T N 2.595 117.234 114.554 0.141 0.000 3.389 93 T HA 0.217 4.567 4.350 0.000 0.000 0.238 93 T C -0.235 174.633 174.700 0.279 0.000 1.178 93 T CA -0.575 61.634 62.100 0.181 0.000 1.117 93 T CB -0.567 68.359 68.868 0.096 0.000 1.177 93 T HN 0.721 nan 8.240 nan 0.000 0.653 94 H N -0.835 118.335 119.070 0.167 0.000 2.904 94 H HA 0.469 5.025 4.556 0.000 0.000 0.290 94 H C -1.855 173.582 175.328 0.182 0.000 1.437 94 H CA -1.328 54.718 56.048 -0.004 0.000 1.147 94 H CB 0.588 30.217 29.762 -0.223 0.000 1.824 94 H HN 0.372 nan 8.280 nan 0.000 0.505 95 Y N -1.140 119.193 120.300 0.054 0.000 2.424 95 Y HA 0.517 5.067 4.550 0.000 0.000 0.323 95 Y C -2.126 173.791 175.900 0.027 0.000 1.174 95 Y CA -1.531 56.604 58.100 0.058 0.000 1.060 95 Y CB 0.056 38.520 38.460 0.007 0.000 1.314 95 Y HN 0.545 nan 8.280 nan 0.000 0.439 96 Y N 2.097 122.651 120.300 0.423 0.000 2.411 96 Y HA 0.474 5.024 4.550 0.000 0.000 0.333 96 Y C 0.219 176.339 175.900 0.367 0.000 1.186 96 Y CA -0.577 57.679 58.100 0.260 0.000 1.381 96 Y CB 1.034 39.567 38.460 0.121 0.000 1.273 96 Y HN 0.527 nan 8.280 nan 0.000 0.546 97 V N 5.137 125.338 119.914 0.479 0.000 2.350 97 V HA 0.444 4.564 4.120 0.000 0.000 0.276 97 V C -0.214 176.116 176.094 0.392 0.000 1.028 97 V CA -0.643 61.903 62.300 0.410 0.000 0.860 97 V CB 0.599 32.640 31.823 0.363 0.000 0.990 97 V HN 0.619 nan 8.190 nan 0.000 0.453 98 V N 2.269 122.376 119.914 0.322 0.000 3.074 98 V HA 1.025 5.145 4.120 0.000 0.000 0.314 98 V C -0.014 176.224 176.094 0.240 0.000 1.117 98 V CA -1.097 61.373 62.300 0.283 0.000 1.014 98 V CB 1.983 33.957 31.823 0.250 0.000 1.057 98 V HN 0.906 nan 8.190 nan 0.000 0.438 99 A N 4.236 127.189 122.820 0.222 0.000 2.292 99 A HA 0.854 5.174 4.320 0.000 0.000 0.319 99 A C -0.274 177.324 177.584 0.023 0.000 1.206 99 A CA -0.695 51.428 52.037 0.144 0.000 0.835 99 A CB 0.914 20.072 19.000 0.262 0.000 1.164 99 A HN 0.825 nan 8.150 nan 0.000 0.505 100 M N 1.420 120.955 119.600 -0.107 0.000 2.472 100 M HA 0.719 5.199 4.480 0.000 0.000 0.331 100 M C -0.058 176.189 176.300 -0.088 0.000 1.170 100 M CA -0.154 55.089 55.300 -0.094 0.000 1.009 100 M CB 1.630 34.119 32.600 -0.186 0.000 1.672 100 M HN 0.970 nan 8.290 nan 0.000 0.453 101 A N 2.470 125.310 122.820 0.033 0.000 2.605 101 A HA 0.673 4.993 4.320 0.000 0.000 0.294 101 A C -1.215 176.521 177.584 0.253 0.000 1.062 101 A CA -0.936 51.166 52.037 0.109 0.000 0.682 101 A CB 1.325 20.399 19.000 0.124 0.000 1.278 101 A HN 0.669 nan 8.150 nan 0.000 0.410 102 K N 0.752 121.310 120.400 0.264 0.000 2.258 102 K HA 0.379 4.699 4.320 0.000 0.000 0.264 102 K C -0.046 176.602 176.600 0.080 0.000 1.007 102 K CA -0.090 56.323 56.287 0.210 0.000 0.941 102 K CB 0.406 32.992 32.500 0.143 0.000 0.966 102 K HN 0.506 nan 8.250 nan 0.000 0.480 103 K N 0.941 121.333 120.400 -0.014 0.000 2.316 103 K HA 0.361 4.682 4.320 0.000 0.000 0.289 103 K C 0.587 177.160 176.600 -0.045 0.000 1.070 103 K CA 0.772 57.042 56.287 -0.029 0.000 0.928 103 K CB 0.353 32.819 32.500 -0.056 0.000 1.039 103 K HN 0.626 nan 8.250 nan 0.000 0.480 104 G N 2.081 110.849 108.800 -0.054 0.000 3.288 104 G HA2 -0.290 3.670 3.960 0.000 0.000 0.195 104 G HA3 -0.290 3.670 3.960 0.000 0.000 0.195 104 G C 0.969 175.792 174.900 -0.128 0.000 1.093 104 G CA 0.204 45.260 45.100 -0.074 0.000 0.852 104 G HN 0.633 nan 8.290 nan 0.000 0.453 105 T N 0.338 114.819 114.554 -0.121 0.000 2.881 105 T HA 0.298 4.648 4.350 0.000 0.000 0.270 105 T C 2.357 176.672 174.700 -0.642 0.000 1.068 105 T CA 1.714 63.644 62.100 -0.284 0.000 1.131 105 T CB -0.703 68.184 68.868 0.032 0.000 0.871 105 T HN 2.253 nan 8.240 nan 0.000 0.479 106 G N 1.617 110.219 108.800 -0.330 0.000 2.395 106 G HA2 -0.204 3.756 3.960 0.000 0.000 0.300 106 G HA3 -0.204 3.756 3.960 0.000 0.000 0.300 106 G C -0.243 174.455 174.900 -0.337 0.000 0.998 106 G CA -0.085 44.850 45.100 -0.276 0.000 1.046 106 G HN 0.541 nan 8.290 nan 0.000 0.513 107 F N -0.150 119.818 119.950 0.030 0.000 2.385 107 F HA 0.557 5.084 4.527 0.000 0.000 0.336 107 F C 0.793 176.621 175.800 0.045 0.000 1.100 107 F CA -0.595 57.428 58.000 0.038 0.000 1.116 107 F CB 1.266 40.293 39.000 0.044 0.000 1.166 107 F HN 0.124 nan 8.300 nan 0.000 0.511 108 Q N 2.190 122.136 119.800 0.244 0.000 2.252 108 Q HA 0.259 4.599 4.340 0.000 0.000 0.256 108 Q C 1.314 177.407 176.000 0.155 0.000 1.020 108 Q CA -0.842 55.054 55.803 0.155 0.000 0.913 108 Q CB 1.060 29.859 28.738 0.101 0.000 1.286 108 Q HN 0.593 nan 8.270 nan 0.000 0.480 109 L N 1.329 122.622 121.223 0.117 0.000 2.011 109 L HA -0.321 4.020 4.340 0.000 0.000 0.225 109 L C 1.210 178.144 176.870 0.107 0.000 1.084 109 L CA 2.393 57.298 54.840 0.109 0.000 0.791 109 L CB -0.654 41.447 42.059 0.069 0.000 0.898 109 L HN 0.730 nan 8.230 nan 0.000 0.440 110 N N -0.866 117.886 118.700 0.086 0.000 2.396 110 N HA -0.169 4.571 4.740 0.000 0.000 0.180 110 N C 0.689 176.257 175.510 0.097 0.000 1.028 110 N CA 0.294 53.389 53.050 0.075 0.000 0.893 110 N CB 0.057 38.576 38.487 0.054 0.000 0.967 110 N HN 0.422 nan 8.380 nan 0.000 0.440 111 Q N 0.645 120.524 119.800 0.132 0.000 2.292 111 Q HA 0.153 4.493 4.340 0.000 0.000 0.235 111 Q C 0.472 176.520 176.000 0.080 0.000 0.910 111 Q CA 0.247 56.143 55.803 0.156 0.000 0.952 111 Q CB -0.054 28.875 28.738 0.318 0.000 1.089 111 Q HN 0.397 nan 8.270 nan 0.000 0.431 112 L N -0.474 120.806 121.223 0.096 0.000 2.728 112 L HA 0.232 4.572 4.340 0.000 0.000 0.238 112 L C 0.121 177.021 176.870 0.050 0.000 1.143 112 L CA -0.244 54.669 54.840 0.123 0.000 0.937 112 L CB 0.260 42.477 42.059 0.262 0.000 1.225 112 L HN 0.112 nan 8.230 nan 0.000 0.507 113 R N 1.360 121.867 120.500 0.012 0.000 2.480 113 R HA 0.112 4.452 4.340 0.000 0.000 0.303 113 R C 0.942 176.953 176.300 -0.483 0.000 0.985 113 R CA 0.454 56.500 56.100 -0.090 0.000 1.051 113 R CB -0.110 30.193 30.300 0.005 0.000 0.935 113 R HN 0.261 nan 8.270 nan 0.000 0.410 114 G N 3.648 111.687 108.800 -1.268 0.000 2.158 114 G HA2 -0.335 3.625 3.960 0.000 0.000 0.257 114 G HA3 -0.335 3.625 3.960 0.000 0.000 0.257 114 G C 0.087 174.786 174.900 -0.335 0.000 0.811 114 G CA 1.102 45.613 45.100 -0.981 0.000 1.178 114 G HN 0.738 nan 8.290 nan 0.000 0.389 115 K N -0.765 119.584 120.400 -0.084 0.000 2.158 115 K HA 0.668 4.988 4.320 0.000 0.000 0.243 115 K C -0.066 176.591 176.600 0.095 0.000 1.079 115 K CA -1.249 55.019 56.287 -0.031 0.000 0.920 115 K CB 1.385 33.779 32.500 -0.175 0.000 1.400 115 K HN -0.007 nan 8.250 nan 0.000 0.561 116 K N 1.937 122.331 120.400 -0.010 0.000 2.250 116 K HA 0.147 4.467 4.320 0.000 0.000 0.285 116 K C -0.841 175.714 176.600 -0.074 0.000 1.097 116 K CA -0.290 55.980 56.287 -0.029 0.000 0.913 116 K CB 0.853 33.321 32.500 -0.053 0.000 1.179 116 K HN 0.646 nan 8.250 nan 0.000 0.462 117 S N 0.967 116.610 115.700 -0.094 0.000 2.536 117 S HA 0.529 4.999 4.470 0.000 0.000 0.298 117 S C -0.445 174.002 174.600 -0.254 0.000 1.083 117 S CA -0.924 57.139 58.200 -0.228 0.000 0.995 117 S CB 1.352 64.429 63.200 -0.205 0.000 1.058 117 S HN 0.482 nan 8.310 nan 0.000 0.488 118 c N 3.106 121.467 118.600 -0.398 0.000 2.408 118 c HA 0.654 5.224 4.570 0.000 0.000 0.321 118 c C -0.228 173.646 174.090 -0.359 0.000 1.245 118 c CA -0.509 55.658 56.329 -0.270 0.000 1.523 118 c CB 0.151 42.523 42.510 -0.232 0.000 2.178 118 c HN 0.916 nan 8.230 nan 0.000 0.488 119 H N 1.057 120.156 119.070 0.048 0.000 2.573 119 H HA 0.248 4.805 4.556 0.000 0.000 0.351 119 H C 0.991 176.333 175.328 0.023 0.000 1.163 119 H CA 0.044 56.182 56.048 0.151 0.000 1.205 119 H CB 1.881 31.803 29.762 0.268 0.000 1.605 119 H HN 0.738 nan 8.280 nan 0.000 0.525 120 T N -0.073 114.526 114.554 0.074 0.000 2.867 120 T HA 0.128 4.478 4.350 0.000 0.000 0.268 120 T C 0.938 175.394 174.700 -0.406 0.000 1.057 120 T CA 0.779 62.735 62.100 -0.241 0.000 1.136 120 T CB 0.103 68.795 68.868 -0.294 0.000 0.874 120 T HN 0.847 nan 8.240 nan 0.000 0.466 121 G N 0.121 108.881 108.800 -0.067 0.000 2.347 121 G HA2 0.388 4.348 3.960 0.000 0.000 0.303 121 G HA3 0.388 4.348 3.960 0.000 0.000 0.303 121 G C -1.900 173.124 174.900 0.207 0.000 1.481 121 G CA -0.757 44.371 45.100 0.047 0.000 0.914 121 G HN 0.463 nan 8.290 nan 0.000 0.638 122 L N 1.497 122.680 121.223 -0.066 0.000 2.361 122 L HA 0.550 4.890 4.340 0.000 0.000 0.278 122 L C 1.435 178.069 176.870 -0.394 0.000 1.113 122 L CA 2.130 56.555 54.840 -0.693 0.000 0.849 122 L CB 0.731 42.365 42.059 -0.709 0.000 1.155 122 L HN 2.302 nan 8.230 nan 0.000 0.452 123 G N 2.527 110.948 108.800 -0.632 0.000 2.176 123 G HA2 -0.276 3.684 3.960 0.000 0.000 0.232 123 G HA3 -0.276 3.684 3.960 0.000 0.000 0.232 123 G C -0.312 174.416 174.900 -0.287 0.000 0.986 123 G CA -0.044 44.821 45.100 -0.393 0.000 0.643 123 G HN 0.539 nan 8.290 nan 0.000 0.522 124 W N 1.443 122.702 121.300 -0.069 0.000 2.365 124 W HA 0.557 5.218 4.660 0.000 0.000 0.316 124 W C 1.606 178.281 176.519 0.260 0.000 1.164 124 W CA 0.005 57.428 57.345 0.131 0.000 1.204 124 W CB 1.470 30.994 29.460 0.107 0.000 1.213 124 W HN 0.281 nan 8.180 nan 0.000 0.539 125 S N 1.314 117.384 115.700 0.616 0.000 2.414 125 S HA -0.090 4.380 4.470 0.000 0.000 0.227 125 S C 1.863 176.803 174.600 0.566 0.000 1.022 125 S CA 0.823 59.462 58.200 0.732 0.000 0.958 125 S CB -0.453 63.118 63.200 0.619 0.000 0.797 125 S HN 0.548 nan 8.310 nan 0.000 0.493 126 A N 1.723 124.875 122.820 0.553 0.000 1.877 126 A HA 0.274 4.594 4.320 0.000 0.000 0.216 126 A C 2.164 179.988 177.584 0.399 0.000 1.186 126 A CA 1.494 53.825 52.037 0.490 0.000 0.620 126 A CB -1.231 18.048 19.000 0.465 0.000 0.822 126 A HN 0.767 nan 8.150 nan 0.000 0.443 127 G N -4.004 105.044 108.800 0.413 0.000 3.528 127 G HA2 0.239 4.200 3.960 0.000 0.000 0.266 127 G HA3 0.239 4.200 3.960 0.000 0.000 0.266 127 G C 0.874 176.083 174.900 0.516 0.000 1.004 127 G CA 0.418 45.770 45.100 0.420 0.000 0.853 127 G HN 0.538 nan 8.290 nan 0.000 0.501 128 W N -0.544 120.852 121.300 0.160 0.000 3.517 128 W HA 0.153 4.813 4.660 0.000 0.000 0.234 128 W C 1.233 177.735 176.519 -0.028 0.000 0.972 128 W CA 0.228 57.558 57.345 -0.024 0.000 2.002 128 W CB 0.307 29.630 29.460 -0.227 0.000 1.018 128 W HN 0.142 nan 8.180 nan 0.000 0.712 129 Y N 1.178 121.626 120.300 0.247 0.000 2.184 129 Y HA -0.135 4.415 4.550 0.000 0.000 0.290 129 Y C 2.498 178.357 175.900 -0.069 0.000 1.129 129 Y CA 1.298 59.419 58.100 0.036 0.000 1.144 129 Y CB -1.392 37.183 38.460 0.192 0.000 0.995 129 Y HN -0.290 nan 8.280 nan 0.000 0.513 130 V N 0.550 120.611 119.914 0.247 0.000 2.307 130 V HA -0.182 3.938 4.120 0.000 0.000 0.245 130 V C -0.485 175.607 176.094 -0.004 0.000 1.045 130 V CA 1.908 64.294 62.300 0.143 0.000 1.024 130 V CB -1.549 30.425 31.823 0.253 0.000 0.651 130 V HN 0.250 nan 8.190 nan 0.000 0.449 131 P HA -0.140 nan 4.420 nan 0.000 0.215 131 P C 1.891 179.011 177.300 -0.300 0.000 1.153 131 P CA 1.449 64.348 63.100 -0.335 0.000 0.853 131 P CB -0.054 31.204 31.700 -0.737 0.000 0.788 132 L N -0.750 120.285 121.223 -0.314 0.000 2.275 132 L HA -0.123 4.217 4.340 0.000 0.000 0.215 132 L C 2.330 179.061 176.870 -0.233 0.000 1.119 132 L CA 1.697 56.343 54.840 -0.322 0.000 0.790 132 L CB -0.897 40.874 42.059 -0.479 0.000 0.919 132 L HN 0.130 nan 8.230 nan 0.000 0.443 133 S N -2.427 113.166 115.700 -0.179 0.000 2.470 133 S HA -0.089 4.382 4.470 0.000 0.000 0.225 133 S C 1.857 176.384 174.600 -0.122 0.000 1.006 133 S CA 0.884 58.991 58.200 -0.154 0.000 0.934 133 S CB -0.295 62.816 63.200 -0.148 0.000 0.778 133 S HN 0.273 nan 8.310 nan 0.000 0.517 134 T N 3.096 117.586 114.554 -0.107 0.000 2.746 134 T HA 0.070 4.420 4.350 0.000 0.000 0.267 134 T C 0.811 175.456 174.700 -0.092 0.000 1.039 134 T CA 1.372 63.428 62.100 -0.074 0.000 1.142 134 T CB -0.532 68.306 68.868 -0.049 0.000 0.866 134 T HN 0.668 nan 8.240 nan 0.000 0.444 135 L N 0.917 122.060 121.223 -0.132 0.000 2.502 135 L HA 0.585 4.925 4.340 0.000 0.000 0.247 135 L C -0.370 176.369 176.870 -0.219 0.000 1.180 135 L CA -1.066 53.675 54.840 -0.164 0.000 0.956 135 L CB 0.050 42.002 42.059 -0.178 0.000 1.282 135 L HN 0.052 nan 8.230 nan 0.000 0.470 136 L N 0.109 121.222 121.223 -0.183 0.000 2.530 136 L HA 0.538 4.878 4.340 0.000 0.000 0.273 136 L C -2.111 174.635 176.870 -0.206 0.000 1.141 136 L CA -1.172 53.554 54.840 -0.189 0.000 0.905 136 L CB -0.808 41.159 42.059 -0.152 0.000 1.202 136 L HN 0.284 nan 8.230 nan 0.000 0.473 137 P HA 0.168 nan 4.420 nan 0.000 0.274 137 P C -0.524 176.677 177.300 -0.165 0.000 1.246 137 P CA -0.546 62.412 63.100 -0.237 0.000 0.795 137 P CB 0.800 32.342 31.700 -0.264 0.000 1.006 138 S N 0.206 115.821 115.700 -0.141 0.000 2.498 138 S HA 0.447 4.917 4.470 0.000 0.000 0.314 138 S C 1.087 175.636 174.600 -0.086 0.000 1.141 138 S CA 0.164 58.303 58.200 -0.101 0.000 1.087 138 S CB -0.927 62.224 63.200 -0.081 0.000 1.178 138 S HN 0.954 nan 8.310 nan 0.000 0.533 139 G N 1.889 110.636 108.800 -0.087 0.000 2.231 139 G HA2 -0.216 3.745 3.960 0.000 0.000 0.206 139 G HA3 -0.216 3.745 3.960 0.000 0.000 0.206 139 G C 0.212 175.058 174.900 -0.091 0.000 0.996 139 G CA -0.386 44.668 45.100 -0.076 0.000 0.645 139 G HN 1.610 nan 8.290 nan 0.000 0.498 140 S N 0.656 116.289 115.700 -0.113 0.000 3.552 140 S HA -0.133 4.338 4.470 0.000 0.000 0.351 140 S C 0.395 174.926 174.600 -0.115 0.000 0.819 140 S CA 1.474 59.594 58.200 -0.133 0.000 1.345 140 S CB -0.303 62.812 63.200 -0.142 0.000 1.425 140 S HN 0.852 nan 8.310 nan 0.000 0.546 141 R N 1.418 121.856 120.500 -0.104 0.000 2.867 141 R HA 0.355 4.695 4.340 0.000 0.000 0.268 141 R C 1.291 177.555 176.300 -0.059 0.000 1.014 141 R CA -0.827 55.231 56.100 -0.071 0.000 0.946 141 R CB 1.034 31.307 30.300 -0.046 0.000 1.208 141 R HN 0.723 nan 8.270 nan 0.000 0.477 142 E N -1.035 119.166 120.200 0.002 0.000 2.340 142 E HA -0.039 4.311 4.350 0.000 0.000 0.194 142 E C 0.700 177.337 176.600 0.061 0.000 0.996 142 E CA 0.920 57.391 56.400 0.118 0.000 0.869 142 E CB 0.103 29.977 29.700 0.291 0.000 0.835 142 E HN 0.632 nan 8.360 nan 0.000 0.493 143 T N -1.913 112.592 114.554 -0.082 0.000 3.081 143 T HA 0.332 4.682 4.350 0.000 0.000 0.255 143 T C 1.903 176.532 174.700 -0.117 0.000 1.113 143 T CA 0.322 62.242 62.100 -0.299 0.000 1.082 143 T CB 0.453 69.162 68.868 -0.265 0.000 0.939 143 T HN 0.229 nan 8.240 nan 0.000 0.506 144 A N 1.401 124.205 122.820 -0.026 0.000 2.016 144 A HA 0.592 4.912 4.320 0.000 0.000 0.217 144 A C 2.569 180.199 177.584 0.076 0.000 1.162 144 A CA 0.974 53.025 52.037 0.022 0.000 0.662 144 A CB -0.947 18.039 19.000 -0.023 0.000 0.812 144 A HN 0.658 nan 8.150 nan 0.000 0.450 145 A N -0.521 122.339 122.820 0.067 0.000 2.206 145 A HA 0.402 4.723 4.320 0.000 0.000 0.211 145 A C 2.120 179.903 177.584 0.331 0.000 1.158 145 A CA 1.251 53.417 52.037 0.214 0.000 0.761 145 A CB -0.512 18.517 19.000 0.049 0.000 0.801 145 A HN 0.837 nan 8.150 nan 0.000 0.473 146 A N -1.180 121.748 122.820 0.181 0.000 2.072 146 A HA 0.093 4.414 4.320 0.000 0.000 0.216 146 A C 2.036 179.772 177.584 0.252 0.000 1.156 146 A CA 1.801 53.951 52.037 0.190 0.000 0.701 146 A CB -0.370 18.635 19.000 0.009 0.000 0.816 146 A HN 0.356 nan 8.150 nan 0.000 0.458 147 T N -1.522 113.172 114.554 0.234 0.000 3.023 147 T HA 0.093 4.443 4.350 0.000 0.000 0.249 147 T C 1.458 176.257 174.700 0.165 0.000 1.050 147 T CA 0.605 62.821 62.100 0.193 0.000 1.088 147 T CB -0.238 68.734 68.868 0.173 0.000 0.946 147 T HN 0.427 nan 8.240 nan 0.000 0.480 148 F N 1.975 121.951 119.950 0.045 0.000 2.075 148 F HA 0.235 4.762 4.527 0.000 0.000 0.297 148 F C 0.171 175.916 175.800 -0.092 0.000 1.113 148 F CA 0.136 58.096 58.000 -0.068 0.000 1.218 148 F CB -0.441 38.465 39.000 -0.158 0.000 0.984 148 F HN 0.016 nan 8.300 nan 0.000 0.472 149 F N 1.015 120.849 119.950 -0.193 0.000 2.427 149 F HA 0.166 4.693 4.527 0.000 0.000 0.352 149 F C 1.837 177.566 175.800 -0.119 0.000 1.100 149 F CA 0.141 57.985 58.000 -0.261 0.000 1.191 149 F CB 1.038 40.029 39.000 -0.016 0.000 1.128 149 F HN 0.024 nan 8.300 nan 0.000 0.533 150 S N 1.170 116.896 115.700 0.043 0.000 2.343 150 S HA -0.091 4.380 4.470 0.000 0.000 0.219 150 S C 0.459 175.108 174.600 0.080 0.000 1.033 150 S CA 0.841 59.062 58.200 0.035 0.000 1.014 150 S CB -0.441 62.755 63.200 -0.008 0.000 0.915 150 S HN 0.601 nan 8.310 nan 0.000 0.435 151 S N -0.374 115.379 115.700 0.088 0.000 2.614 151 S HA 0.773 5.243 4.470 0.000 0.000 0.275 151 S C -0.922 173.707 174.600 0.048 0.000 1.161 151 S CA -0.748 57.492 58.200 0.066 0.000 0.969 151 S CB 2.045 65.264 63.200 0.032 0.000 1.059 151 S HN 0.284 nan 8.310 nan 0.000 0.482 152 S N 0.845 116.568 115.700 0.040 0.000 2.651 152 S HA 0.686 5.156 4.470 0.000 0.000 0.279 152 S C -1.249 173.367 174.600 0.027 0.000 1.148 152 S CA -0.798 57.409 58.200 0.011 0.000 0.837 152 S CB 1.684 64.870 63.200 -0.023 0.000 1.138 152 S HN 1.111 nan 8.310 nan 0.000 0.478 153 c N 2.837 121.463 118.600 0.043 0.000 2.317 153 c HA 0.723 5.293 4.570 0.000 0.000 0.306 153 c C -0.850 173.314 174.090 0.123 0.000 1.087 153 c CA -0.183 56.165 56.329 0.031 0.000 1.529 153 c CB -1.884 40.574 42.510 -0.087 0.000 1.880 153 c HN 0.559 nan 8.230 nan 0.000 0.417 154 V N 8.859 128.824 119.914 0.086 0.000 2.284 154 V HA 0.349 4.469 4.120 0.000 0.000 0.274 154 V C -2.008 174.088 176.094 0.005 0.000 1.023 154 V CA -1.231 61.095 62.300 0.043 0.000 0.808 154 V CB 1.156 32.912 31.823 -0.111 0.000 1.035 154 V HN 0.675 nan 8.190 nan 0.000 0.445 155 P HA 0.207 nan 4.420 nan 0.000 0.270 155 P C 0.758 178.103 177.300 0.076 0.000 1.227 155 P CA 0.044 63.219 63.100 0.124 0.000 0.788 155 P CB 0.414 32.301 31.700 0.313 0.000 0.926 156 c N -1.788 116.853 118.600 0.067 0.000 5.812 156 c HA -0.164 4.406 4.570 0.000 0.000 0.308 156 c C 1.205 175.276 174.090 -0.033 0.000 2.271 156 c CA 0.493 56.845 56.329 0.038 0.000 2.025 156 c CB -2.628 39.945 42.510 0.105 0.000 3.036 156 c HN 0.847 nan 8.230 nan 0.000 0.372 157 A N 1.337 124.112 122.820 -0.074 0.000 2.425 157 A HA 0.427 4.747 4.320 0.000 0.000 0.249 157 A C 0.282 177.863 177.584 -0.005 0.000 1.084 157 A CA 0.711 52.694 52.037 -0.091 0.000 0.781 157 A CB 0.185 19.104 19.000 -0.134 0.000 1.019 157 A HN 0.535 nan 8.150 nan 0.000 0.490 158 D N 2.625 123.042 120.400 0.029 0.000 2.359 158 D HA 0.142 4.782 4.640 0.000 0.000 0.250 158 D C 1.266 177.634 176.300 0.114 0.000 1.264 158 D CA 0.646 54.686 54.000 0.067 0.000 0.911 158 D CB 0.698 41.546 40.800 0.081 0.000 1.056 158 D HN 0.569 nan 8.370 nan 0.000 0.499 159 G N 3.944 112.790 108.800 0.078 0.000 2.679 159 G HA2 -0.205 3.755 3.960 0.000 0.000 0.212 159 G HA3 -0.205 3.755 3.960 0.000 0.000 0.212 159 G C 1.396 176.328 174.900 0.053 0.000 1.137 159 G CA 0.111 45.260 45.100 0.082 0.000 0.787 159 G HN 0.485 nan 8.290 nan 0.000 0.534 160 K N -0.396 120.026 120.400 0.038 0.000 2.097 160 K HA 0.072 4.392 4.320 0.000 0.000 0.205 160 K C 2.163 178.737 176.600 -0.044 0.000 1.050 160 K CA 1.056 57.344 56.287 0.001 0.000 0.938 160 K CB -0.130 32.372 32.500 0.004 0.000 0.718 160 K HN 0.356 nan 8.250 nan 0.000 0.442 161 M N -0.648 118.921 119.600 -0.051 0.000 2.534 161 M HA 0.144 4.624 4.480 0.000 0.000 0.263 161 M C -0.567 175.378 176.300 -0.592 0.000 1.152 161 M CA 0.539 55.669 55.300 -0.284 0.000 1.145 161 M CB 0.851 33.303 32.600 -0.247 0.000 1.333 161 M HN -0.077 nan 8.290 nan 0.000 0.477 162 F N -0.168 119.794 119.950 0.020 0.000 2.564 162 F HA 0.383 4.910 4.527 0.000 0.000 0.361 162 F C -2.171 173.645 175.800 0.026 0.000 1.161 162 F CA -1.956 56.062 58.000 0.030 0.000 1.198 162 F CB 0.432 39.457 39.000 0.042 0.000 1.424 162 F HN -0.069 nan 8.300 nan 0.000 0.517 163 P HA -0.125 nan 4.420 nan 0.000 0.216 163 P C 1.502 178.858 177.300 0.093 0.000 1.153 163 P CA 1.294 64.438 63.100 0.074 0.000 0.848 163 P CB 0.296 32.014 31.700 0.030 0.000 0.787 164 S N -1.006 114.765 115.700 0.117 0.000 2.547 164 S HA -0.050 4.421 4.470 0.000 0.000 0.235 164 S C 1.452 176.125 174.600 0.121 0.000 0.980 164 S CA 0.479 58.745 58.200 0.111 0.000 0.941 164 S CB -0.709 62.565 63.200 0.124 0.000 0.763 164 S HN 0.036 nan 8.310 nan 0.000 0.532 165 L N -0.336 120.973 121.223 0.144 0.000 2.585 165 L HA 0.308 4.648 4.340 0.000 0.000 0.226 165 L C 0.710 177.621 176.870 0.069 0.000 1.113 165 L CA 0.708 55.614 54.840 0.111 0.000 0.876 165 L CB 0.215 42.345 42.059 0.119 0.000 1.072 165 L HN 0.241 nan 8.230 nan 0.000 0.468 166 c N -1.226 117.414 118.600 0.067 0.000 3.098 166 c HA 0.215 4.785 4.570 0.000 0.000 0.265 166 c C 1.968 176.078 174.090 0.032 0.000 1.572 166 c CA -0.455 55.902 56.329 0.046 0.000 1.788 166 c CB -0.239 42.301 42.510 0.050 0.000 2.982 166 c HN 0.483 nan 8.230 nan 0.000 0.532 167 Q N 0.320 120.136 119.800 0.027 0.000 2.049 167 Q HA -0.026 4.314 4.340 0.000 0.000 0.198 167 Q C 1.347 177.336 176.000 -0.019 0.000 0.971 167 Q CA 1.234 57.044 55.803 0.012 0.000 0.833 167 Q CB 0.053 28.802 28.738 0.018 0.000 0.896 167 Q HN 0.460 nan 8.270 nan 0.000 0.434 168 L N -0.158 121.033 121.223 -0.054 0.000 2.599 168 L HA 0.004 4.344 4.340 0.000 0.000 0.230 168 L C 0.182 176.919 176.870 -0.223 0.000 1.141 168 L CA 0.383 55.138 54.840 -0.140 0.000 0.877 168 L CB -0.111 41.838 42.059 -0.183 0.000 1.009 168 L HN 0.169 nan 8.230 nan 0.000 0.447 169 c N 1.223 119.771 118.600 -0.086 0.000 2.349 169 c HA 0.602 5.172 4.570 0.000 0.000 0.348 169 c C 1.097 175.255 174.090 0.113 0.000 1.223 169 c CA -1.192 55.146 56.329 0.016 0.000 1.746 169 c CB -0.717 41.835 42.510 0.070 0.000 2.360 169 c HN 0.453 nan 8.230 nan 0.000 0.533 170 A N 3.989 126.984 122.820 0.291 0.000 2.621 170 A HA 0.638 4.958 4.320 0.000 0.000 0.329 170 A C 0.702 178.392 177.584 0.176 0.000 1.458 170 A CA 0.100 52.288 52.037 0.252 0.000 1.052 170 A CB -0.109 19.107 19.000 0.361 0.000 1.142 170 A HN 1.020 nan 8.150 nan 0.000 0.523 171 G N 0.751 109.612 108.800 0.103 0.000 3.175 171 G HA2 0.570 4.530 3.960 0.000 0.000 0.153 171 G HA3 0.570 4.530 3.960 0.000 0.000 0.153 171 G C -0.546 174.374 174.900 0.033 0.000 1.216 171 G CA -0.425 44.708 45.100 0.055 0.000 0.943 171 G HN 0.303 nan 8.290 nan 0.000 0.611 172 K N 0.522 120.932 120.400 0.017 0.000 2.701 172 K HA 0.437 4.757 4.320 0.000 0.000 0.212 172 K C 0.657 177.260 176.600 0.006 0.000 1.035 172 K CA 0.212 56.505 56.287 0.010 0.000 1.048 172 K CB 0.649 33.150 32.500 0.001 0.000 1.234 172 K HN 1.072 nan 8.250 nan 0.000 0.540 173 G N 2.058 110.865 108.800 0.011 0.000 3.581 173 G HA2 -0.485 3.475 3.960 0.000 0.000 0.336 173 G HA3 -0.485 3.475 3.960 0.000 0.000 0.336 173 G C 0.982 175.885 174.900 0.006 0.000 1.259 173 G CA 1.476 46.581 45.100 0.008 0.000 1.001 173 G HN 0.495 nan 8.290 nan 0.000 0.662 174 T N -2.249 112.305 114.554 -0.000 0.000 3.067 174 T HA 0.266 4.617 4.350 0.000 0.000 0.257 174 T C 1.412 176.106 174.700 -0.009 0.000 1.105 174 T CA 1.705 63.802 62.100 -0.004 0.000 1.104 174 T CB 0.169 69.032 68.868 -0.007 0.000 0.925 174 T HN 0.344 nan 8.240 nan 0.000 0.498 175 D N 1.855 122.249 120.400 -0.010 0.000 2.339 175 D HA 0.119 4.759 4.640 0.000 0.000 0.217 175 D C 0.620 176.915 176.300 -0.007 0.000 1.050 175 D CA 0.164 54.152 54.000 -0.019 0.000 0.856 175 D CB 0.112 40.899 40.800 -0.023 0.000 0.922 175 D HN 0.710 nan 8.370 nan 0.000 0.518 176 K N -0.406 119.999 120.400 0.010 0.000 2.174 176 K HA 0.346 4.666 4.320 0.000 0.000 0.275 176 K C 0.323 176.942 176.600 0.032 0.000 1.015 176 K CA -0.530 55.777 56.287 0.032 0.000 0.933 176 K CB 1.616 34.140 32.500 0.039 0.000 1.025 176 K HN -0.109 nan 8.250 nan 0.000 0.463 177 c N 1.796 120.430 118.600 0.056 0.000 4.365 177 c HA -0.173 4.397 4.570 0.000 0.000 0.299 177 c C 0.684 174.790 174.090 0.027 0.000 1.409 177 c CA 0.532 56.894 56.329 0.056 0.000 2.007 177 c CB -2.474 40.063 42.510 0.044 0.000 1.264 177 c HN 0.952 nan 8.230 nan 0.000 0.777 178 A N -0.513 122.303 122.820 -0.008 0.000 2.287 178 A HA 0.525 4.845 4.320 0.000 0.000 0.273 178 A C 0.867 178.357 177.584 -0.157 0.000 1.091 178 A CA 0.523 52.511 52.037 -0.081 0.000 0.817 178 A CB 0.345 19.272 19.000 -0.122 0.000 1.069 178 A HN 1.230 nan 8.150 nan 0.000 0.492 179 c N 1.491 119.969 118.600 -0.203 0.000 2.435 179 c HA 0.538 5.108 4.570 0.000 0.000 0.326 179 c C 1.056 174.689 174.090 -0.762 0.000 1.328 179 c CA 0.497 56.676 56.329 -0.250 0.000 1.741 179 c CB -2.910 39.596 42.510 -0.008 0.000 1.998 179 c HN 0.957 nan 8.230 nan 0.000 0.585 180 S N -1.871 113.192 115.700 -1.061 0.000 2.790 180 S HA 0.299 4.769 4.470 0.000 0.000 0.292 180 S C 0.710 174.803 174.600 -0.845 0.000 1.197 180 S CA 0.323 57.904 58.200 -1.032 0.000 0.851 180 S CB 0.786 63.736 63.200 -0.417 0.000 1.217 180 S HN 0.068 nan 8.310 nan 0.000 0.526 181 S N -0.167 115.298 115.700 -0.393 0.000 2.469 181 S HA -0.064 4.407 4.470 0.000 0.000 0.238 181 S C 1.661 176.181 174.600 -0.134 0.000 0.998 181 S CA 1.170 59.270 58.200 -0.168 0.000 0.957 181 S CB -0.710 62.426 63.200 -0.107 0.000 0.764 181 S HN 0.610 nan 8.310 nan 0.000 0.514 182 R N 0.671 121.077 120.500 -0.157 0.000 2.200 182 R HA -0.024 4.316 4.340 0.000 0.000 0.234 182 R C 0.643 176.896 176.300 -0.078 0.000 1.127 182 R CA 1.117 57.157 56.100 -0.100 0.000 0.989 182 R CB -0.118 30.121 30.300 -0.102 0.000 0.869 182 R HN 0.346 nan 8.270 nan 0.000 0.459 183 E N 0.563 120.708 120.200 -0.092 0.000 2.115 183 E HA 0.131 4.482 4.350 0.000 0.000 0.282 183 E C -2.050 174.556 176.600 0.010 0.000 0.987 183 E CA -2.817 53.577 56.400 -0.011 0.000 0.797 183 E CB 1.460 31.173 29.700 0.023 0.000 1.086 183 E HN -0.222 nan 8.360 nan 0.000 0.397 184 P HA -0.166 nan 4.420 nan 0.000 0.216 184 P C -0.507 176.662 177.300 -0.218 0.000 1.154 184 P CA 1.425 64.414 63.100 -0.185 0.000 0.865 184 P CB -0.026 31.483 31.700 -0.319 0.000 0.789 185 Y N -1.038 119.296 120.300 0.057 0.000 2.676 185 Y HA 0.440 4.990 4.550 0.000 0.000 0.338 185 Y C 0.104 176.074 175.900 0.117 0.000 1.057 185 Y CA -0.596 57.536 58.100 0.054 0.000 1.314 185 Y CB -0.365 38.110 38.460 0.025 0.000 1.164 185 Y HN -0.132 nan 8.280 nan 0.000 0.509 186 F N 1.137 121.095 119.950 0.012 0.000 2.619 186 F HA 0.765 5.292 4.527 0.000 0.000 0.308 186 F C 0.327 176.048 175.800 -0.132 0.000 1.097 186 F CA -0.303 57.654 58.000 -0.072 0.000 0.953 186 F CB 1.516 40.458 39.000 -0.096 0.000 1.287 186 F HN 0.590 nan 8.300 nan 0.000 0.446 187 G N 2.720 110.686 108.800 -1.391 0.000 2.752 187 G HA2 -0.233 3.727 3.960 0.000 0.000 0.234 187 G HA3 -0.233 3.727 3.960 0.000 0.000 0.234 187 G C 0.413 175.027 174.900 -0.476 0.000 1.367 187 G CA -0.140 44.312 45.100 -1.079 0.000 0.879 187 G HN 1.075 nan 8.290 nan 0.000 0.563 188 S N -0.703 114.794 115.700 -0.338 0.000 2.515 188 S HA 0.004 4.475 4.470 0.000 0.000 0.231 188 S C 1.425 175.893 174.600 -0.220 0.000 0.987 188 S CA 1.459 59.510 58.200 -0.248 0.000 0.936 188 S CB -0.103 62.934 63.200 -0.273 0.000 0.766 188 S HN 0.492 nan 8.310 nan 0.000 0.528 189 W N 1.660 122.807 121.300 -0.255 0.000 2.580 189 W HA 0.199 4.859 4.660 0.000 0.000 0.287 189 W C 2.193 178.618 176.519 -0.157 0.000 1.175 189 W CA 0.840 58.065 57.345 -0.199 0.000 1.409 189 W CB -0.734 28.617 29.460 -0.182 0.000 1.101 189 W HN 0.370 nan 8.180 nan 0.000 0.558 190 G N 0.144 109.004 108.800 0.101 0.000 2.421 190 G HA2 -0.085 3.875 3.960 0.000 0.000 0.217 190 G HA3 -0.085 3.875 3.960 0.000 0.000 0.217 190 G C 1.558 176.535 174.900 0.129 0.000 1.143 190 G CA 1.054 46.195 45.100 0.067 0.000 0.784 190 G HN 0.207 nan 8.290 nan 0.000 0.541 191 A N 0.081 122.922 122.820 0.035 0.000 2.119 191 A HA 0.329 4.649 4.320 0.000 0.000 0.216 191 A C 2.174 179.722 177.584 -0.060 0.000 1.152 191 A CA 0.670 52.717 52.037 0.017 0.000 0.708 191 A CB -0.181 18.776 19.000 -0.072 0.000 0.805 191 A HN 0.374 nan 8.150 nan 0.000 0.460 192 L N -0.884 120.271 121.223 -0.114 0.000 2.313 192 L HA -0.000 4.340 4.340 0.000 0.000 0.214 192 L C 1.967 178.748 176.870 -0.148 0.000 1.119 192 L CA 0.970 55.685 54.840 -0.208 0.000 0.809 192 L CB -0.167 41.701 42.059 -0.319 0.000 0.933 192 L HN 0.258 nan 8.230 nan 0.000 0.449 193 K N -0.994 119.400 120.400 -0.010 0.000 2.442 193 K HA -0.113 4.208 4.320 0.000 0.000 0.198 193 K C 1.758 178.458 176.600 0.166 0.000 1.042 193 K CA 0.873 57.203 56.287 0.072 0.000 0.958 193 K CB -0.260 32.282 32.500 0.071 0.000 0.766 193 K HN 0.456 nan 8.250 nan 0.000 0.474 194 c N 0.485 119.144 118.600 0.098 0.000 2.491 194 c HA 0.027 4.597 4.570 0.000 0.000 0.277 194 c C 1.940 176.012 174.090 -0.031 0.000 1.455 194 c CA 0.190 56.515 56.329 -0.006 0.000 1.758 194 c CB -0.776 41.640 42.510 -0.157 0.000 1.745 194 c HN 0.335 nan 8.230 nan 0.000 0.558 195 L N -0.172 121.014 121.223 -0.063 0.000 2.286 195 L HA 0.053 4.394 4.340 0.000 0.000 0.203 195 L C 2.621 179.554 176.870 0.105 0.000 1.068 195 L CA 1.538 56.358 54.840 -0.033 0.000 0.811 195 L CB -0.882 40.994 42.059 -0.305 0.000 0.989 195 L HN 0.191 nan 8.230 nan 0.000 0.467 196 Q N 0.047 119.873 119.800 0.045 0.000 2.050 196 Q HA -0.202 4.138 4.340 0.000 0.000 0.202 196 Q C 1.558 177.632 176.000 0.122 0.000 0.980 196 Q CA 1.938 57.821 55.803 0.134 0.000 0.840 196 Q CB -0.350 28.428 28.738 0.066 0.000 0.898 196 Q HN 0.483 nan 8.270 nan 0.000 0.424 197 D N -0.782 119.683 120.400 0.109 0.000 2.183 197 D HA 0.108 4.748 4.640 0.000 0.000 0.205 197 D C 0.475 176.828 176.300 0.089 0.000 0.962 197 D CA 1.207 55.274 54.000 0.111 0.000 0.849 197 D CB 0.123 41.023 40.800 0.167 0.000 0.978 197 D HN 0.425 nan 8.370 nan 0.000 0.488 198 G N -0.063 108.781 108.800 0.074 0.000 2.638 198 G HA2 -0.212 3.748 3.960 0.000 0.000 0.269 198 G HA3 -0.212 3.748 3.960 0.000 0.000 0.269 198 G C 0.671 175.579 174.900 0.014 0.000 1.141 198 G CA 0.359 45.489 45.100 0.049 0.000 1.081 198 G HN 0.224 nan 8.290 nan 0.000 0.527 199 T N -1.020 113.515 114.554 -0.032 0.000 3.000 199 T HA 0.641 4.991 4.350 0.000 0.000 0.248 199 T C 1.098 175.730 174.700 -0.114 0.000 1.034 199 T CA 1.518 63.559 62.100 -0.097 0.000 1.060 199 T CB 0.615 69.335 68.868 -0.247 0.000 0.983 199 T HN 1.767 nan 8.240 nan 0.000 0.482 200 A N 0.603 123.357 122.820 -0.111 0.000 2.572 200 A HA 0.616 4.936 4.320 0.000 0.000 0.295 200 A C -0.545 176.984 177.584 -0.091 0.000 1.072 200 A CA -0.618 51.348 52.037 -0.119 0.000 0.691 200 A CB 1.156 20.047 19.000 -0.181 0.000 1.291 200 A HN 0.024 nan 8.150 nan 0.000 0.404 201 D N -0.480 119.868 120.400 -0.087 0.000 2.194 201 D HA 0.159 4.800 4.640 0.000 0.000 0.204 201 D C 0.746 176.993 176.300 -0.089 0.000 0.964 201 D CA 2.158 56.133 54.000 -0.041 0.000 0.846 201 D CB 0.149 40.907 40.800 -0.070 0.000 0.962 201 D HN 0.609 nan 8.370 nan 0.000 0.490 202 V N -2.528 117.255 119.914 -0.218 0.000 2.735 202 V HA 0.743 4.863 4.120 0.000 0.000 0.310 202 V C -0.608 175.099 176.094 -0.644 0.000 1.061 202 V CA -0.862 61.198 62.300 -0.400 0.000 0.913 202 V CB 2.382 33.921 31.823 -0.474 0.000 1.005 202 V HN -0.218 nan 8.190 nan 0.000 0.428 203 S N 3.907 119.206 115.700 -0.669 0.000 2.774 203 S HA 0.653 5.124 4.470 0.000 0.000 0.297 203 S C -0.852 173.396 174.600 -0.587 0.000 1.143 203 S CA -0.281 57.550 58.200 -0.615 0.000 1.090 203 S CB 0.596 63.585 63.200 -0.351 0.000 1.019 203 S HN 0.593 nan 8.310 nan 0.000 0.482 204 F N 3.490 123.334 119.950 -0.177 0.000 2.466 204 F HA 0.428 4.955 4.527 0.000 0.000 0.363 204 F C 0.747 176.521 175.800 -0.043 0.000 1.109 204 F CA -0.578 57.380 58.000 -0.070 0.000 1.161 204 F CB 0.041 39.016 39.000 -0.042 0.000 1.117 204 F HN 0.307 nan 8.300 nan 0.000 0.539 205 V N 0.425 120.390 119.914 0.085 0.000 3.181 205 V HA 0.616 4.736 4.120 0.000 0.000 0.308 205 V C -0.767 175.350 176.094 0.039 0.000 1.214 205 V CA -1.745 60.558 62.300 0.006 0.000 1.053 205 V CB 1.993 33.729 31.823 -0.145 0.000 1.069 205 V HN 0.589 nan 8.190 nan 0.000 0.441 206 K N 1.021 121.389 120.400 -0.054 0.000 2.154 206 K HA 0.354 4.674 4.320 0.000 0.000 0.264 206 K C 1.102 177.581 176.600 -0.201 0.000 1.008 206 K CA 0.104 56.353 56.287 -0.063 0.000 0.937 206 K CB 0.668 32.927 32.500 -0.401 0.000 1.002 206 K HN 0.989 nan 8.250 nan 0.000 0.469 207 H N 2.670 121.643 119.070 -0.161 0.000 2.457 207 H HA -0.066 4.490 4.556 0.000 0.000 0.294 207 H C 1.197 176.178 175.328 -0.580 0.000 1.064 207 H CA 1.240 57.100 56.048 -0.314 0.000 1.330 207 H CB -0.007 29.528 29.762 -0.379 0.000 1.395 207 H HN 0.625 nan 8.280 nan 0.000 0.541 208 L N 0.876 121.233 121.223 -1.444 0.000 2.291 208 L HA -0.054 4.286 4.340 0.000 0.000 0.214 208 L C 2.164 178.259 176.870 -1.292 0.000 1.120 208 L CA 1.233 55.128 54.840 -1.575 0.000 0.799 208 L CB -0.078 41.205 42.059 -1.293 0.000 0.925 208 L HN 0.257 nan 8.230 nan 0.000 0.446 209 T N -1.449 112.534 114.554 -0.952 0.000 3.067 209 T HA -0.001 4.349 4.350 0.000 0.000 0.257 209 T C 1.932 176.094 174.700 -0.897 0.000 1.105 209 T CA 0.311 61.850 62.100 -0.935 0.000 1.104 209 T CB 0.313 68.734 68.868 -0.744 0.000 0.925 209 T HN 0.008 nan 8.240 nan 0.000 0.498 210 V N 2.261 121.749 119.914 -0.710 0.000 2.244 210 V HA -0.087 4.033 4.120 0.000 0.000 0.244 210 V C 2.011 177.903 176.094 -0.337 0.000 1.042 210 V CA 1.653 63.682 62.300 -0.451 0.000 1.006 210 V CB -0.702 30.977 31.823 -0.239 0.000 0.641 210 V HN 0.698 nan 8.190 nan 0.000 0.446 211 F N 0.258 120.069 119.950 -0.231 0.000 2.811 211 F HA 0.254 4.781 4.527 0.000 0.000 0.301 211 F C 1.817 177.528 175.800 -0.148 0.000 1.151 211 F CA 0.694 58.612 58.000 -0.137 0.000 1.412 211 F CB -0.560 38.403 39.000 -0.062 0.000 1.113 211 F HN 0.216 nan 8.300 nan 0.000 0.579 212 E N 0.433 120.399 120.200 -0.390 0.000 2.340 212 E HA 0.300 4.650 4.350 0.000 0.000 0.198 212 E C 1.524 177.984 176.600 -0.234 0.000 0.961 212 E CA 0.511 56.767 56.400 -0.239 0.000 0.905 212 E CB 0.215 29.680 29.700 -0.392 0.000 0.884 212 E HN 0.348 nan 8.360 nan 0.000 0.491 213 A N 0.916 123.405 122.820 -0.553 0.000 2.545 213 A HA 0.284 4.604 4.320 0.000 0.000 0.277 213 A C 0.439 177.892 177.584 -0.219 0.000 1.301 213 A CA -0.409 51.347 52.037 -0.468 0.000 0.935 213 A CB -0.239 18.035 19.000 -1.209 0.000 1.093 213 A HN 0.219 nan 8.150 nan 0.000 0.519 214 M N 0.857 120.387 119.600 -0.116 0.000 2.188 214 M HA 0.244 4.724 4.480 0.000 0.000 0.354 214 M C -1.656 174.671 176.300 0.045 0.000 1.342 214 M CA -1.754 53.538 55.300 -0.012 0.000 1.117 214 M CB 1.172 33.800 32.600 0.047 0.000 1.670 214 M HN 0.001 nan 8.290 nan 0.000 0.466 215 P HA -0.125 nan 4.420 nan 0.000 0.214 215 P C -0.320 177.019 177.300 0.066 0.000 1.169 215 P CA 1.447 64.594 63.100 0.078 0.000 0.908 215 P CB 0.006 31.768 31.700 0.102 0.000 0.791 216 T N -5.351 109.243 114.554 0.066 0.000 2.906 216 T HA 0.379 4.729 4.350 0.000 0.000 0.295 216 T C 0.477 175.211 174.700 0.056 0.000 1.061 216 T CA -1.059 61.073 62.100 0.053 0.000 1.000 216 T CB 1.967 70.858 68.868 0.038 0.000 1.103 216 T HN -0.141 nan 8.240 nan 0.000 0.486 217 K N 0.569 120.998 120.400 0.049 0.000 2.442 217 K HA 0.015 4.335 4.320 0.000 0.000 0.199 217 K C 1.635 178.261 176.600 0.044 0.000 1.044 217 K CA 1.217 57.533 56.287 0.049 0.000 0.941 217 K CB -0.212 32.310 32.500 0.036 0.000 0.759 217 K HN 0.690 nan 8.250 nan 0.000 0.472 218 A N 0.542 123.385 122.820 0.038 0.000 2.469 218 A HA 0.036 4.357 4.320 0.000 0.000 0.245 218 A C 0.805 178.406 177.584 0.029 0.000 1.221 218 A CA -0.152 51.902 52.037 0.029 0.000 0.946 218 A CB 0.278 19.287 19.000 0.015 0.000 1.049 218 A HN 0.097 nan 8.150 nan 0.000 0.529 219 D N 0.585 121.012 120.400 0.044 0.000 2.348 219 D HA -0.022 4.618 4.640 0.000 0.000 0.248 219 D C 1.384 177.735 176.300 0.086 0.000 1.142 219 D CA 0.349 54.375 54.000 0.042 0.000 0.904 219 D CB 0.096 40.946 40.800 0.082 0.000 0.901 219 D HN 0.411 nan 8.370 nan 0.000 0.523 220 R N -0.652 119.897 120.500 0.082 0.000 2.335 220 R HA 0.198 4.538 4.340 0.000 0.000 0.223 220 R C 0.265 176.609 176.300 0.074 0.000 0.940 220 R CA 0.228 56.393 56.100 0.108 0.000 1.086 220 R CB -0.215 30.147 30.300 0.102 0.000 1.073 220 R HN 0.076 nan 8.270 nan 0.000 0.504 221 D N -0.257 120.158 120.400 0.025 0.000 2.479 221 D HA -0.030 4.610 4.640 0.000 0.000 0.216 221 D C 1.070 177.329 176.300 -0.068 0.000 1.110 221 D CA 0.096 54.091 54.000 -0.008 0.000 0.841 221 D CB 0.352 41.143 40.800 -0.016 0.000 1.040 221 D HN 0.336 nan 8.370 nan 0.000 0.505 222 Q N -0.244 119.462 119.800 -0.156 0.000 2.354 222 Q HA -0.004 4.336 4.340 0.000 0.000 0.203 222 Q C -0.402 175.293 176.000 -0.508 0.000 0.933 222 Q CA 0.555 56.128 55.803 -0.383 0.000 0.901 222 Q CB 0.477 28.864 28.738 -0.586 0.000 1.007 222 Q HN 0.219 nan 8.270 nan 0.000 0.495 223 Y N -0.152 120.154 120.300 0.009 0.000 2.425 223 Y HA 0.447 4.997 4.550 0.000 0.000 0.344 223 Y C -0.447 175.465 175.900 0.020 0.000 0.969 223 Y CA -1.216 56.890 58.100 0.009 0.000 1.052 223 Y CB 1.964 40.423 38.460 -0.002 0.000 1.215 223 Y HN -0.113 nan 8.280 nan 0.000 0.451 224 E N 1.579 121.890 120.200 0.185 0.000 2.339 224 E HA 0.632 4.982 4.350 0.000 0.000 0.262 224 E C -1.302 175.368 176.600 0.118 0.000 0.934 224 E CA -0.743 55.730 56.400 0.123 0.000 0.802 224 E CB 1.767 31.516 29.700 0.081 0.000 1.275 224 E HN 0.482 nan 8.360 nan 0.000 0.427 225 L N 1.073 122.360 121.223 0.107 0.000 2.352 225 L HA 0.496 4.836 4.340 0.000 0.000 0.269 225 L C -0.778 176.153 176.870 0.102 0.000 1.034 225 L CA -1.152 53.754 54.840 0.110 0.000 0.806 225 L CB 0.602 42.738 42.059 0.128 0.000 1.244 225 L HN 0.215 nan 8.230 nan 0.000 0.447 226 L N 1.386 122.677 121.223 0.114 0.000 2.287 226 L HA 0.398 4.738 4.340 0.000 0.000 0.287 226 L C -0.274 176.654 176.870 0.096 0.000 1.022 226 L CA 0.047 54.953 54.840 0.111 0.000 0.814 226 L CB 1.238 43.382 42.059 0.143 0.000 1.217 226 L HN 0.620 nan 8.230 nan 0.000 0.420 227 c N 2.829 121.466 118.600 0.061 0.000 2.347 227 c HA 0.320 4.890 4.570 0.000 0.000 0.366 227 c C 2.039 176.136 174.090 0.010 0.000 1.241 227 c CA -0.897 55.446 56.329 0.023 0.000 2.360 227 c CB 0.948 43.457 42.510 -0.001 0.000 2.290 227 c HN 0.800 nan 8.230 nan 0.000 0.587 228 M N 1.098 120.676 119.600 -0.036 0.000 2.374 228 M HA -0.056 4.424 4.480 0.000 0.000 0.264 228 M C 0.890 177.177 176.300 -0.022 0.000 1.067 228 M CA 1.345 56.623 55.300 -0.036 0.000 1.103 228 M CB -1.310 31.239 32.600 -0.085 0.000 1.402 228 M HN 0.806 nan 8.290 nan 0.000 0.444 229 D N 0.838 121.225 120.400 -0.022 0.000 2.870 229 D HA 0.043 4.683 4.640 0.000 0.000 0.241 229 D C -0.113 176.190 176.300 0.006 0.000 1.234 229 D CA -0.009 53.984 54.000 -0.011 0.000 0.844 229 D CB -0.715 40.075 40.800 -0.016 0.000 1.051 229 D HN 0.140 nan 8.370 nan 0.000 0.469 230 N N 0.223 118.933 118.700 0.016 0.000 2.666 230 N HA -0.239 4.502 4.740 0.000 0.000 0.249 230 N C -0.560 174.970 175.510 0.034 0.000 1.063 230 N CA 1.625 54.695 53.050 0.032 0.000 0.750 230 N CB -0.910 37.594 38.487 0.029 0.000 0.992 230 N HN 0.536 nan 8.380 nan 0.000 0.542 231 T N -4.105 110.467 114.554 0.029 0.000 2.883 231 T HA 0.685 5.036 4.350 0.000 0.000 0.284 231 T C 0.213 174.935 174.700 0.036 0.000 1.041 231 T CA -1.037 61.078 62.100 0.026 0.000 1.007 231 T CB 2.522 71.398 68.868 0.013 0.000 1.220 231 T HN 0.013 nan 8.240 nan 0.000 0.552 232 R N -0.451 120.067 120.500 0.031 0.000 2.873 232 R HA 0.809 5.149 4.340 0.000 0.000 0.264 232 R C -0.640 175.679 176.300 0.031 0.000 1.026 232 R CA -1.028 55.096 56.100 0.040 0.000 1.002 232 R CB 1.862 32.184 30.300 0.036 0.000 1.174 232 R HN 0.708 nan 8.270 nan 0.000 0.488 233 R N 1.190 121.715 120.500 0.040 0.000 2.644 233 R HA 0.258 4.599 4.340 0.000 0.000 0.257 233 R C -2.953 173.376 176.300 0.049 0.000 1.082 233 R CA -1.640 54.480 56.100 0.033 0.000 0.927 233 R CB 2.078 32.393 30.300 0.025 0.000 1.258 233 R HN 0.361 nan 8.270 nan 0.000 0.459 234 P HA -0.092 nan 4.420 nan 0.000 0.265 234 P C 0.996 178.349 177.300 0.089 0.000 1.187 234 P CA -0.098 63.036 63.100 0.057 0.000 0.766 234 P CB 0.615 32.336 31.700 0.036 0.000 0.820 235 V N 1.048 121.038 119.914 0.126 0.000 2.568 235 V HA -0.241 3.879 4.120 0.000 0.000 0.253 235 V C 1.622 177.866 176.094 0.251 0.000 1.072 235 V CA 1.622 64.035 62.300 0.187 0.000 1.084 235 V CB -1.218 30.718 31.823 0.187 0.000 0.676 235 V HN 0.413 nan 8.190 nan 0.000 0.469 236 E N 1.208 121.506 120.200 0.163 0.000 2.273 236 E HA -0.175 4.175 4.350 0.000 0.000 0.198 236 E C 0.977 177.553 176.600 -0.040 0.000 1.002 236 E CA 1.339 57.812 56.400 0.122 0.000 0.828 236 E CB -0.195 29.535 29.700 0.049 0.000 0.747 236 E HN 0.834 nan 8.360 nan 0.000 0.491 237 E N 0.433 120.597 120.200 -0.059 0.000 2.884 237 E HA 0.080 4.430 4.350 0.000 0.000 0.221 237 E C 0.012 176.506 176.600 -0.177 0.000 1.137 237 E CA -0.324 55.950 56.400 -0.210 0.000 1.160 237 E CB 0.118 29.753 29.700 -0.109 0.000 1.385 237 E HN 0.314 nan 8.360 nan 0.000 0.442 238 Y N -0.636 119.629 120.300 -0.057 0.000 2.544 238 Y HA 0.186 4.736 4.550 0.000 0.000 0.286 238 Y C 1.246 176.972 175.900 -0.290 0.000 1.141 238 Y CA 0.006 58.050 58.100 -0.092 0.000 1.299 238 Y CB -0.053 38.366 38.460 -0.069 0.000 1.030 238 Y HN 0.132 nan 8.280 nan 0.000 0.543 239 E N 1.177 121.033 120.200 -0.574 0.000 2.481 239 E HA -0.084 4.266 4.350 0.000 0.000 0.195 239 E C 0.871 177.450 176.600 -0.035 0.000 1.047 239 E CA 0.760 56.832 56.400 -0.548 0.000 0.867 239 E CB 0.006 29.428 29.700 -0.464 0.000 0.858 239 E HN 0.811 nan 8.360 nan 0.000 0.513 240 Q N -0.623 119.192 119.800 0.025 0.000 2.084 240 Q HA 0.245 4.585 4.340 0.000 0.000 0.230 240 Q C 0.034 176.041 176.000 0.012 0.000 0.806 240 Q CA -0.229 55.617 55.803 0.070 0.000 1.083 240 Q CB 0.552 29.290 28.738 -0.000 0.000 1.208 240 Q HN 0.086 nan 8.270 nan 0.000 0.462 241 c N 1.321 119.963 118.600 0.069 0.000 3.173 241 c HA 0.500 5.070 4.570 0.000 0.000 0.209 241 c C -1.461 172.710 174.090 0.136 0.000 1.229 241 c CA -0.536 55.809 56.329 0.026 0.000 1.109 241 c CB -0.708 41.830 42.510 0.046 0.000 1.833 241 c HN 0.567 nan 8.230 nan 0.000 0.626 242 Y N 0.021 120.367 120.300 0.077 0.000 2.536 242 Y HA 0.732 5.282 4.550 0.000 0.000 0.347 242 Y C 0.400 176.402 175.900 0.171 0.000 1.000 242 Y CA -1.466 56.729 58.100 0.158 0.000 1.051 242 Y CB 0.688 39.284 38.460 0.226 0.000 1.259 242 Y HN 0.132 nan 8.280 nan 0.000 0.468 243 L N 1.919 123.337 121.223 0.326 0.000 2.023 243 L HA 0.321 4.661 4.340 0.000 0.000 0.205 243 L C 0.784 177.815 176.870 0.268 0.000 1.073 243 L CA 1.205 56.171 54.840 0.210 0.000 0.745 243 L CB -0.243 41.942 42.059 0.211 0.000 0.900 243 L HN 0.889 nan 8.230 nan 0.000 0.435 244 A N -0.222 122.863 122.820 0.442 0.000 2.605 244 A HA 0.533 4.853 4.320 0.000 0.000 0.294 244 A C -1.062 176.725 177.584 0.338 0.000 1.062 244 A CA -0.762 51.514 52.037 0.397 0.000 0.682 244 A CB 1.047 20.188 19.000 0.235 0.000 1.278 244 A HN 0.232 nan 8.150 nan 0.000 0.410 245 R N 1.169 121.746 120.500 0.127 0.000 2.247 245 R HA 0.583 4.923 4.340 0.000 0.000 0.329 245 R C -0.324 175.823 176.300 -0.255 0.000 1.014 245 R CA -0.373 55.596 56.100 -0.218 0.000 0.907 245 R CB 0.450 30.379 30.300 -0.619 0.000 1.146 245 R HN 0.911 nan 8.270 nan 0.000 0.499 246 V N 0.370 120.127 119.914 -0.262 0.000 2.863 246 V HA 0.540 4.660 4.120 0.000 0.000 0.307 246 V C -2.309 173.490 176.094 -0.492 0.000 1.061 246 V CA -2.605 59.483 62.300 -0.354 0.000 1.024 246 V CB 0.934 32.594 31.823 -0.272 0.000 1.049 246 V HN 0.503 nan 8.190 nan 0.000 0.471 247 P HA 0.219 nan 4.420 nan 0.000 0.274 247 P C -0.052 177.197 177.300 -0.086 0.000 1.264 247 P CA -0.014 62.904 63.100 -0.303 0.000 0.795 247 P CB 0.341 31.709 31.700 -0.552 0.000 1.064 248 S N -1.666 114.189 115.700 0.258 0.000 2.681 248 S HA 0.203 4.673 4.470 0.000 0.000 0.270 248 S C -0.014 174.956 174.600 0.616 0.000 1.209 248 S CA -0.435 58.062 58.200 0.495 0.000 0.988 248 S CB -0.133 63.313 63.200 0.410 0.000 1.006 248 S HN 0.345 nan 8.310 nan 0.000 0.558 249 H N -0.230 119.098 119.070 0.430 0.000 2.771 249 H HA 0.372 4.928 4.556 0.000 0.000 0.364 249 H C -0.182 175.277 175.328 0.219 0.000 1.133 249 H CA -0.445 55.796 56.048 0.321 0.000 1.423 249 H CB 0.572 30.534 29.762 0.333 0.000 1.425 249 H HN 0.287 nan 8.280 nan 0.000 0.606 250 V N 0.195 120.216 119.914 0.180 0.000 2.962 250 V HA 0.315 4.435 4.120 0.000 0.000 0.313 250 V C -0.138 175.964 176.094 0.014 0.000 1.099 250 V CA -1.138 61.186 62.300 0.039 0.000 0.971 250 V CB 1.766 33.446 31.823 -0.239 0.000 1.028 250 V HN 0.384 nan 8.190 nan 0.000 0.430 251 V N 3.439 123.375 119.914 0.037 0.000 2.432 251 V HA 0.457 4.577 4.120 0.000 0.000 0.271 251 V C 0.357 176.385 176.094 -0.110 0.000 1.046 251 V CA -0.086 62.206 62.300 -0.013 0.000 0.945 251 V CB 1.128 33.029 31.823 0.131 0.000 0.992 251 V HN 0.889 nan 8.190 nan 0.000 0.471 252 V N 2.590 122.393 119.914 -0.184 0.000 2.850 252 V HA 1.077 5.197 4.120 0.000 0.000 0.315 252 V C 0.045 176.030 176.094 -0.182 0.000 1.064 252 V CA -0.490 61.704 62.300 -0.177 0.000 0.979 252 V CB 1.447 33.162 31.823 -0.181 0.000 1.039 252 V HN 1.164 nan 8.190 nan 0.000 0.452 253 A N 2.081 124.818 122.820 -0.137 0.000 2.586 253 A HA 0.686 5.006 4.320 0.000 0.000 0.290 253 A C -0.536 176.996 177.584 -0.086 0.000 1.086 253 A CA -1.141 50.825 52.037 -0.118 0.000 0.665 253 A CB 1.152 20.092 19.000 -0.100 0.000 1.279 253 A HN 0.837 nan 8.150 nan 0.000 0.423 254 R N 1.177 121.636 120.500 -0.069 0.000 2.484 254 R HA 0.164 4.504 4.340 0.000 0.000 0.293 254 R C 1.432 177.704 176.300 -0.045 0.000 1.023 254 R CA 0.589 56.658 56.100 -0.050 0.000 1.037 254 R CB 0.440 30.714 30.300 -0.043 0.000 0.951 254 R HN 0.877 nan 8.270 nan 0.000 0.418 255 S N 1.905 117.581 115.700 -0.041 0.000 2.380 255 S HA -0.150 4.321 4.470 0.000 0.000 0.229 255 S C 1.117 175.698 174.600 -0.032 0.000 1.043 255 S CA 0.857 59.035 58.200 -0.038 0.000 1.038 255 S CB -0.075 63.107 63.200 -0.031 0.000 0.872 255 S HN 0.449 nan 8.310 nan 0.000 0.456 256 V N 2.260 122.157 119.914 -0.029 0.000 2.409 256 V HA 0.480 4.601 4.120 0.000 0.000 0.291 256 V C -0.983 175.094 176.094 -0.028 0.000 1.020 256 V CA -0.474 61.810 62.300 -0.026 0.000 0.848 256 V CB 0.662 32.471 31.823 -0.024 0.000 0.990 256 V HN 0.477 nan 8.190 nan 0.000 0.430 257 D N 4.445 124.830 120.400 -0.025 0.000 3.133 257 D HA -0.107 4.533 4.640 0.000 0.000 0.239 257 D C 0.553 176.836 176.300 -0.029 0.000 1.136 257 D CA 1.319 55.304 54.000 -0.025 0.000 0.898 257 D CB -0.998 39.786 40.800 -0.026 0.000 0.959 257 D HN 1.022 nan 8.370 nan 0.000 0.415 258 G N 1.562 110.344 108.800 -0.029 0.000 4.165 258 G HA2 0.240 4.200 3.960 0.000 0.000 0.287 258 G HA3 0.240 4.200 3.960 0.000 0.000 0.287 258 G C 0.377 175.258 174.900 -0.032 0.000 1.019 258 G CA 0.203 45.281 45.100 -0.037 0.000 0.806 258 G HN 0.334 nan 8.290 nan 0.000 0.447 259 K N 0.218 120.607 120.400 -0.018 0.000 3.251 259 K HA -0.203 4.117 4.320 0.000 0.000 0.282 259 K C 1.215 177.818 176.600 0.006 0.000 1.201 259 K CA 0.837 57.121 56.287 -0.004 0.000 0.827 259 K CB -1.191 31.308 32.500 -0.002 0.000 1.286 259 K HN 0.594 nan 8.250 nan 0.000 0.503 260 E N 1.300 121.499 120.200 -0.001 0.000 2.033 260 E HA -0.251 4.099 4.350 0.000 0.000 0.199 260 E C 1.598 178.215 176.600 0.028 0.000 1.011 260 E CA 1.896 58.300 56.400 0.006 0.000 0.815 260 E CB -0.156 29.541 29.700 -0.006 0.000 0.755 260 E HN 0.586 nan 8.360 nan 0.000 0.451 261 D N 0.596 121.012 120.400 0.026 0.000 2.264 261 D HA -0.097 4.543 4.640 0.000 0.000 0.208 261 D C 1.745 178.076 176.300 0.052 0.000 0.966 261 D CA 0.851 54.874 54.000 0.038 0.000 0.864 261 D CB -0.171 40.646 40.800 0.028 0.000 0.933 261 D HN -0.018 nan 8.370 nan 0.000 0.499 262 S N 0.531 116.260 115.700 0.049 0.000 2.357 262 S HA 0.039 4.509 4.470 0.000 0.000 0.221 262 S C 2.194 176.852 174.600 0.097 0.000 1.031 262 S CA 0.470 58.706 58.200 0.061 0.000 0.982 262 S CB -0.157 63.071 63.200 0.047 0.000 0.853 262 S HN 0.320 nan 8.310 nan 0.000 0.458 263 I N 1.527 122.162 120.570 0.108 0.000 2.676 263 I HA -0.112 4.058 4.170 0.000 0.000 0.259 263 I C 2.472 178.703 176.117 0.190 0.000 1.194 263 I CA 0.755 62.160 61.300 0.176 0.000 1.473 263 I CB -0.331 37.755 38.000 0.143 0.000 1.096 263 I HN 0.238 nan 8.210 nan 0.000 0.443 264 Q N 0.688 120.569 119.800 0.135 0.000 2.096 264 Q HA -0.115 4.225 4.340 0.000 0.000 0.197 264 Q C 2.031 178.115 176.000 0.140 0.000 0.964 264 Q CA 1.062 56.945 55.803 0.134 0.000 0.838 264 Q CB -0.053 28.740 28.738 0.092 0.000 0.906 264 Q HN 0.507 nan 8.270 nan 0.000 0.444 265 E N 0.786 121.058 120.200 0.119 0.000 2.107 265 E HA -0.104 4.246 4.350 0.000 0.000 0.191 265 E C 2.123 178.803 176.600 0.134 0.000 0.982 265 E CA 0.298 56.765 56.400 0.112 0.000 0.809 265 E CB -0.083 29.666 29.700 0.082 0.000 0.756 265 E HN 0.158 nan 8.360 nan 0.000 0.459 266 L N 0.835 122.147 121.223 0.149 0.000 1.994 266 L HA -0.145 4.195 4.340 0.000 0.000 0.208 266 L C 2.256 179.269 176.870 0.239 0.000 1.071 266 L CA 1.453 56.388 54.840 0.160 0.000 0.745 266 L CB -0.378 41.786 42.059 0.176 0.000 0.892 266 L HN 0.052 nan 8.230 nan 0.000 0.431 267 L N -0.763 120.634 121.223 0.290 0.000 2.456 267 L HA -0.111 4.229 4.340 0.000 0.000 0.224 267 L C 2.561 179.581 176.870 0.249 0.000 1.148 267 L CA 0.514 55.540 54.840 0.310 0.000 0.825 267 L CB -0.497 41.768 42.059 0.344 0.000 0.937 267 L HN 0.286 nan 8.230 nan 0.000 0.450 268 R N 0.340 120.966 120.500 0.211 0.000 2.073 268 R HA -0.073 4.268 4.340 0.000 0.000 0.229 268 R C 1.923 178.336 176.300 0.187 0.000 1.120 268 R CA 1.539 57.747 56.100 0.180 0.000 0.967 268 R CB -0.551 29.835 30.300 0.144 0.000 0.862 268 R HN 0.127 nan 8.270 nan 0.000 0.436 269 V N 0.673 120.713 119.914 0.210 0.000 2.535 269 V HA 0.064 4.184 4.120 0.000 0.000 0.246 269 V C 2.317 178.627 176.094 0.360 0.000 1.045 269 V CA 1.380 63.838 62.300 0.263 0.000 1.058 269 V CB -0.886 31.084 31.823 0.246 0.000 0.689 269 V HN 0.444 nan 8.190 nan 0.000 0.461 270 A N -0.723 122.317 122.820 0.367 0.000 2.076 270 A HA -0.287 4.033 4.320 0.000 0.000 0.220 270 A C 2.161 179.987 177.584 0.404 0.000 1.160 270 A CA 2.007 54.347 52.037 0.506 0.000 0.653 270 A CB -0.435 18.900 19.000 0.559 0.000 0.801 270 A HN 0.593 nan 8.150 nan 0.000 0.455 271 Q N -1.567 118.403 119.800 0.283 0.000 2.319 271 Q HA 0.028 4.368 4.340 0.000 0.000 0.202 271 Q C 1.208 177.310 176.000 0.169 0.000 0.896 271 Q CA -0.027 55.921 55.803 0.242 0.000 0.942 271 Q CB 0.262 29.150 28.738 0.250 0.000 1.083 271 Q HN 0.537 nan 8.270 nan 0.000 0.510 272 E N -0.680 119.604 120.200 0.140 0.000 2.102 272 E HA -0.067 4.284 4.350 0.000 0.000 0.190 272 E C 0.985 177.458 176.600 -0.213 0.000 0.971 272 E CA 1.122 57.501 56.400 -0.036 0.000 0.821 272 E CB 0.235 29.893 29.700 -0.069 0.000 0.777 272 E HN 0.463 nan 8.360 nan 0.000 0.460 273 H N -1.879 117.165 119.070 -0.044 0.000 2.557 273 H HA 0.183 4.739 4.556 0.000 0.000 0.281 273 H C 0.354 175.353 175.328 -0.548 0.000 0.990 273 H CA 0.468 56.310 56.048 -0.345 0.000 1.278 273 H CB 0.290 29.722 29.762 -0.549 0.000 1.451 273 H HN -0.015 nan 8.280 nan 0.000 0.516 274 F N 0.339 120.415 119.950 0.210 0.000 2.850 274 F HA 0.365 4.892 4.527 0.000 0.000 0.329 274 F C 1.516 177.330 175.800 0.023 0.000 1.182 274 F CA -0.418 57.652 58.000 0.117 0.000 1.270 274 F CB 0.269 39.383 39.000 0.190 0.000 0.979 274 F HN 0.112 nan 8.300 nan 0.000 0.506 275 G N 0.373 109.289 108.800 0.193 0.000 2.751 275 G HA2 -0.053 3.908 3.960 0.000 0.000 0.142 275 G HA3 -0.053 3.908 3.960 0.000 0.000 0.142 275 G C -0.124 174.938 174.900 0.271 0.000 1.783 275 G CA -0.215 45.053 45.100 0.280 0.000 1.018 275 G HN 0.076 nan 8.290 nan 0.000 0.474 276 K N 0.868 121.367 120.400 0.165 0.000 2.206 276 K HA 0.245 4.565 4.320 0.000 0.000 0.268 276 K C -0.225 176.419 176.600 0.073 0.000 1.111 276 K CA -0.052 56.293 56.287 0.097 0.000 0.955 276 K CB -0.134 32.401 32.500 0.057 0.000 1.406 276 K HN 0.444 nan 8.250 nan 0.000 0.427 277 D N 2.268 122.704 120.400 0.060 0.000 2.720 277 D HA -0.236 4.404 4.640 0.000 0.000 0.229 277 D C 0.591 176.910 176.300 0.032 0.000 1.198 277 D CA 1.298 55.322 54.000 0.039 0.000 0.639 277 D CB -0.158 40.661 40.800 0.032 0.000 1.003 277 D HN 0.716 nan 8.370 nan 0.000 0.411 278 K N -0.693 119.721 120.400 0.024 0.000 2.076 278 K HA -0.038 4.282 4.320 0.000 0.000 0.204 278 K C 1.556 178.149 176.600 -0.010 0.000 1.051 278 K CA 1.080 57.368 56.287 0.002 0.000 0.949 278 K CB 0.055 32.544 32.500 -0.019 0.000 0.726 278 K HN 0.201 nan 8.250 nan 0.000 0.443 279 S N -1.382 114.309 115.700 -0.016 0.000 2.970 279 S HA 0.094 4.564 4.470 0.000 0.000 0.165 279 S C 1.119 175.731 174.600 0.020 0.000 0.813 279 S CA 0.756 58.950 58.200 -0.011 0.000 1.195 279 S CB 0.274 63.449 63.200 -0.041 0.000 0.633 279 S HN 0.506 nan 8.310 nan 0.000 0.543 280 S N -0.396 115.332 115.700 0.046 0.000 4.199 280 S HA 0.232 4.703 4.470 0.000 0.000 0.180 280 S C -1.505 173.148 174.600 0.089 0.000 1.034 280 S CA 0.194 58.427 58.200 0.055 0.000 1.276 280 S CB -1.473 61.752 63.200 0.041 0.000 1.471 280 S HN 0.443 nan 8.310 nan 0.000 0.439 281 P HA 0.056 nan 4.420 nan 0.000 0.202 281 P C 0.157 177.606 177.300 0.249 0.000 1.121 281 P CA 0.974 64.184 63.100 0.182 0.000 0.939 281 P CB -0.134 31.695 31.700 0.216 0.000 0.761 282 F N 0.272 120.346 119.950 0.206 0.000 2.404 282 F HA 0.299 4.826 4.527 0.000 0.000 0.354 282 F C -0.160 175.757 175.800 0.195 0.000 1.122 282 F CA -0.853 57.236 58.000 0.148 0.000 1.080 282 F CB 0.781 39.808 39.000 0.044 0.000 1.131 282 F HN -0.130 nan 8.300 nan 0.000 0.471 283 Q N 6.894 126.367 119.800 -0.546 0.000 2.314 283 Q HA 0.222 4.562 4.340 0.000 0.000 0.259 283 Q C 0.736 176.153 176.000 -0.972 0.000 0.951 283 Q CA -0.259 55.241 55.803 -0.506 0.000 0.909 283 Q CB 2.224 30.810 28.738 -0.253 0.000 1.236 283 Q HN 0.989 nan 8.270 nan 0.000 0.444 284 L N 1.899 122.589 121.223 -0.889 0.000 2.072 284 L HA -0.061 4.279 4.340 0.000 0.000 0.205 284 L C 0.653 176.852 176.870 -1.119 0.000 1.079 284 L CA 1.274 55.392 54.840 -1.203 0.000 0.752 284 L CB 0.131 41.357 42.059 -1.389 0.000 0.906 284 L HN 0.553 nan 8.230 nan 0.000 0.436 285 F N -1.181 118.528 119.950 -0.402 0.000 2.664 285 F HA 0.298 4.825 4.527 0.000 0.000 0.303 285 F C 1.140 176.805 175.800 -0.225 0.000 1.092 285 F CA -0.175 57.645 58.000 -0.299 0.000 1.305 285 F CB 0.183 38.992 39.000 -0.318 0.000 1.054 285 F HN -0.090 nan 8.300 nan 0.000 0.565 286 G N 0.258 108.972 108.800 -0.142 0.000 3.678 286 G HA2 0.342 4.302 3.960 0.000 0.000 0.344 286 G HA3 0.342 4.302 3.960 0.000 0.000 0.344 286 G C -0.485 174.323 174.900 -0.154 0.000 1.450 286 G CA -0.379 44.652 45.100 -0.115 0.000 1.078 286 G HN 0.013 nan 8.290 nan 0.000 0.474 287 S N 3.442 119.063 115.700 -0.132 0.000 2.533 287 S HA 0.216 4.686 4.470 0.000 0.000 0.282 287 S C -0.666 173.866 174.600 -0.113 0.000 1.304 287 S CA -0.714 57.410 58.200 -0.127 0.000 1.063 287 S CB 1.870 64.995 63.200 -0.124 0.000 0.881 287 S HN 0.612 nan 8.310 nan 0.000 0.493 288 P HA -0.074 nan 4.420 nan 0.000 0.196 288 P C 0.868 178.133 177.300 -0.057 0.000 1.105 288 P CA 0.905 63.962 63.100 -0.072 0.000 0.866 288 P CB -0.098 31.572 31.700 -0.050 0.000 0.706 289 H N -0.296 118.746 119.070 -0.048 0.000 2.568 289 H HA -0.025 4.531 4.556 0.000 0.000 0.299 289 H C 1.587 176.780 175.328 -0.225 0.000 1.033 289 H CA 0.936 56.952 56.048 -0.053 0.000 1.148 289 H CB -1.044 28.806 29.762 0.146 0.000 1.446 289 H HN 0.270 nan 8.280 nan 0.000 0.638 290 G N -0.125 108.545 108.800 -0.216 0.000 2.647 290 G HA2 0.080 4.040 3.960 0.000 0.000 0.271 290 G HA3 0.080 4.040 3.960 0.000 0.000 0.271 290 G C -0.630 174.034 174.900 -0.393 0.000 1.300 290 G CA -0.395 44.425 45.100 -0.466 0.000 0.997 290 G HN 0.385 nan 8.290 nan 0.000 0.533 291 E N 0.340 120.252 120.200 -0.480 0.000 2.187 291 E HA 0.288 4.639 4.350 0.000 0.000 0.268 291 E C -0.870 175.547 176.600 -0.305 0.000 0.896 291 E CA -0.597 55.438 56.400 -0.608 0.000 0.766 291 E CB 1.646 30.575 29.700 -1.285 0.000 1.142 291 E HN 0.429 nan 8.360 nan 0.000 0.408 292 D N 1.370 121.656 120.400 -0.189 0.000 2.739 292 D HA -0.171 4.469 4.640 0.000 0.000 0.240 292 D C -0.465 175.846 176.300 0.019 0.000 1.114 292 D CA 0.576 54.566 54.000 -0.018 0.000 0.695 292 D CB -1.381 39.446 40.800 0.044 0.000 1.078 292 D HN 0.383 nan 8.370 nan 0.000 0.434 293 L N 0.544 121.756 121.223 -0.020 0.000 2.361 293 L HA 0.223 4.563 4.340 0.000 0.000 0.278 293 L C 2.069 178.957 176.870 0.031 0.000 1.113 293 L CA -0.369 54.473 54.840 0.005 0.000 0.849 293 L CB 0.443 42.492 42.059 -0.018 0.000 1.155 293 L HN 0.267 nan 8.230 nan 0.000 0.452 294 L N 1.691 122.933 121.223 0.031 0.000 4.252 294 L HA -0.350 3.991 4.340 0.000 0.000 0.370 294 L C -0.254 176.437 176.870 -0.299 0.000 0.743 294 L CA 1.526 56.298 54.840 -0.112 0.000 2.767 294 L CB -1.090 40.836 42.059 -0.220 0.000 0.809 294 L HN 0.433 nan 8.230 nan 0.000 0.696 295 F N -1.463 118.507 119.950 0.033 0.000 2.643 295 F HA 0.428 4.955 4.527 0.000 0.000 0.314 295 F C 0.672 176.535 175.800 0.105 0.000 1.096 295 F CA -0.698 57.370 58.000 0.112 0.000 0.953 295 F CB 1.308 40.351 39.000 0.071 0.000 1.345 295 F HN -0.390 nan 8.300 nan 0.000 0.468 296 T N 1.763 116.502 114.554 0.308 0.000 2.817 296 T HA 0.008 4.358 4.350 0.000 0.000 0.295 296 T C 0.657 175.461 174.700 0.173 0.000 0.958 296 T CA -0.015 62.176 62.100 0.153 0.000 1.157 296 T CB 0.314 69.213 68.868 0.052 0.000 0.898 296 T HN 0.433 nan 8.240 nan 0.000 0.536 297 D N 3.207 123.671 120.400 0.107 0.000 2.190 297 D HA -0.138 4.502 4.640 0.000 0.000 0.200 297 D C 2.035 178.367 176.300 0.053 0.000 0.992 297 D CA 1.230 55.273 54.000 0.071 0.000 0.854 297 D CB -0.072 40.751 40.800 0.037 0.000 0.936 297 D HN 0.690 nan 8.370 nan 0.000 0.462 298 A N 0.429 123.283 122.820 0.056 0.000 2.167 298 A HA 0.298 4.618 4.320 0.000 0.000 0.214 298 A C 1.336 179.000 177.584 0.134 0.000 1.151 298 A CA 0.667 52.726 52.037 0.037 0.000 0.735 298 A CB -0.193 18.739 19.000 -0.113 0.000 0.802 298 A HN 0.214 nan 8.150 nan 0.000 0.467 299 A N -0.960 121.912 122.820 0.088 0.000 2.406 299 A HA 0.412 4.732 4.320 0.000 0.000 0.243 299 A C 0.739 177.819 177.584 -0.840 0.000 1.082 299 A CA 0.005 51.875 52.037 -0.279 0.000 0.786 299 A CB -0.003 18.779 19.000 -0.363 0.000 1.029 299 A HN 0.535 nan 8.150 nan 0.000 0.495 300 H N 0.134 118.617 119.070 -0.978 0.000 2.874 300 H HA 0.316 4.873 4.556 0.000 0.000 0.264 300 H C 0.914 175.339 175.328 -1.505 0.000 1.007 300 H CA 0.894 56.326 56.048 -1.025 0.000 1.207 300 H CB 1.047 30.492 29.762 -0.528 0.000 1.487 300 H HN 0.908 nan 8.280 nan 0.000 0.505 301 G N 0.344 108.059 108.800 -1.808 0.000 2.341 301 G HA2 0.422 4.382 3.960 0.000 0.000 0.299 301 G HA3 0.422 4.382 3.960 0.000 0.000 0.299 301 G C -2.139 172.421 174.900 -0.567 0.000 1.274 301 G CA -0.778 43.633 45.100 -1.149 0.000 0.853 301 G HN 0.017 nan 8.290 nan 0.000 0.493 302 L N -0.318 120.972 121.223 0.111 0.000 2.455 302 L HA 0.749 5.089 4.340 0.000 0.000 0.264 302 L C -1.055 176.044 176.870 0.382 0.000 0.968 302 L CA -0.604 54.412 54.840 0.293 0.000 0.827 302 L CB 2.284 44.526 42.059 0.306 0.000 1.317 302 L HN 0.633 nan 8.230 nan 0.000 0.407 303 L N 2.901 124.352 121.223 0.379 0.000 2.362 303 L HA 0.665 5.006 4.340 0.000 0.000 0.271 303 L C -0.264 176.799 176.870 0.322 0.000 1.002 303 L CA -0.414 54.613 54.840 0.312 0.000 0.818 303 L CB 1.744 43.952 42.059 0.248 0.000 1.298 303 L HN 0.667 nan 8.230 nan 0.000 0.420 304 R N 3.911 124.551 120.500 0.234 0.000 2.316 304 R HA 0.500 4.841 4.340 0.000 0.000 0.314 304 R C -0.400 175.931 176.300 0.051 0.000 1.069 304 R CA -0.609 55.575 56.100 0.139 0.000 0.959 304 R CB 0.157 30.516 30.300 0.098 0.000 0.987 304 R HN 0.530 nan 8.270 nan 0.000 0.446 305 V N 0.930 120.734 119.914 -0.184 0.000 2.843 305 V HA 0.250 4.371 4.120 0.000 0.000 0.305 305 V C -2.027 173.835 176.094 -0.387 0.000 1.065 305 V CA -1.658 60.225 62.300 -0.695 0.000 1.116 305 V CB 0.067 31.477 31.823 -0.688 0.000 0.968 305 V HN 0.692 nan 8.190 nan 0.000 0.487 306 P HA 0.210 nan 4.420 nan 0.000 0.273 306 P C 0.859 178.082 177.300 -0.127 0.000 1.258 306 P CA -0.364 62.639 63.100 -0.162 0.000 0.802 306 P CB 0.382 32.021 31.700 -0.101 0.000 1.040 307 R N 0.798 121.258 120.500 -0.066 0.000 2.177 307 R HA -0.100 4.240 4.340 0.000 0.000 0.221 307 R C 0.957 177.226 176.300 -0.052 0.000 1.110 307 R CA 1.604 57.675 56.100 -0.048 0.000 0.875 307 R CB -1.298 28.989 30.300 -0.022 0.000 0.810 307 R HN 0.410 nan 8.270 nan 0.000 0.437 308 K N 1.752 122.131 120.400 -0.036 0.000 3.277 308 K HA 0.101 4.421 4.320 0.000 0.000 0.291 308 K C 0.330 176.911 176.600 -0.031 0.000 0.994 308 K CA 0.113 56.383 56.287 -0.027 0.000 1.147 308 K CB -1.104 31.389 32.500 -0.011 0.000 1.185 308 K HN 0.334 nan 8.250 nan 0.000 0.422 309 I N 1.306 121.843 120.570 -0.055 0.000 2.411 309 I HA 0.108 4.278 4.170 0.000 0.000 0.284 309 I C -0.573 175.518 176.117 -0.044 0.000 1.012 309 I CA -0.706 60.567 61.300 -0.046 0.000 1.119 309 I CB 0.764 38.706 38.000 -0.095 0.000 1.261 309 I HN 0.091 nan 8.210 nan 0.000 0.448 310 D N 5.779 126.173 120.400 -0.009 0.000 2.529 310 D HA 0.083 4.723 4.640 0.000 0.000 0.273 310 D C 0.922 177.232 176.300 0.017 0.000 1.197 310 D CA -0.588 53.403 54.000 -0.014 0.000 1.070 310 D CB 1.149 41.944 40.800 -0.008 0.000 1.134 310 D HN 0.457 nan 8.370 nan 0.000 0.590 311 I N -0.036 120.530 120.570 -0.007 0.000 2.567 311 I HA -0.186 3.985 4.170 0.000 0.000 0.257 311 I C 1.814 177.951 176.117 0.033 0.000 1.184 311 I CA 1.220 62.522 61.300 0.004 0.000 1.451 311 I CB -0.349 37.621 38.000 -0.050 0.000 1.089 311 I HN 0.305 nan 8.210 nan 0.000 0.441 312 S N -0.320 115.400 115.700 0.033 0.000 2.425 312 S HA 0.053 4.523 4.470 0.000 0.000 0.225 312 S C 1.841 176.488 174.600 0.079 0.000 1.024 312 S CA 0.671 58.898 58.200 0.047 0.000 0.951 312 S CB -0.174 63.054 63.200 0.047 0.000 0.796 312 S HN 0.496 nan 8.310 nan 0.000 0.498 313 L N -0.103 121.175 121.223 0.090 0.000 2.095 313 L HA -0.013 4.328 4.340 0.000 0.000 0.204 313 L C 2.196 179.173 176.870 0.178 0.000 1.080 313 L CA 1.272 56.179 54.840 0.112 0.000 0.759 313 L CB -0.318 41.790 42.059 0.082 0.000 0.914 313 L HN 0.279 nan 8.230 nan 0.000 0.439 314 Y N 0.439 120.774 120.300 0.059 0.000 2.070 314 Y HA -0.307 4.244 4.550 0.000 0.000 0.280 314 Y C 2.281 178.214 175.900 0.054 0.000 1.148 314 Y CA 2.091 60.256 58.100 0.108 0.000 1.125 314 Y CB -0.381 38.096 38.460 0.028 0.000 0.975 314 Y HN 0.075 nan 8.280 nan 0.000 0.492 315 L N -0.331 120.892 121.223 0.001 0.000 2.131 315 L HA 0.003 4.343 4.340 0.000 0.000 0.210 315 L C 1.094 177.889 176.870 -0.125 0.000 1.092 315 L CA 0.823 55.545 54.840 -0.197 0.000 0.759 315 L CB -1.183 40.754 42.059 -0.204 0.000 0.903 315 L HN 0.521 nan 8.230 nan 0.000 0.435 316 G N -1.917 106.882 108.800 -0.001 0.000 2.777 316 G HA2 -0.332 3.628 3.960 0.000 0.000 0.686 316 G HA3 -0.332 3.628 3.960 0.000 0.000 0.686 316 G C -0.209 174.771 174.900 0.134 0.000 1.177 316 G CA -0.053 45.082 45.100 0.057 0.000 0.775 316 G HN 0.143 nan 8.290 nan 0.000 0.613 317 Y N 0.975 121.294 120.300 0.033 0.000 2.315 317 Y HA -0.118 4.432 4.550 0.000 0.000 0.288 317 Y C 2.527 178.449 175.900 0.037 0.000 1.154 317 Y CA 2.625 60.745 58.100 0.034 0.000 1.229 317 Y CB 0.175 38.647 38.460 0.020 0.000 0.980 317 Y HN 0.665 nan 8.280 nan 0.000 0.540 318 E N -0.123 120.080 120.200 0.006 0.000 2.017 318 E HA -0.262 4.088 4.350 0.000 0.000 0.193 318 E C 2.128 178.671 176.600 -0.095 0.000 0.997 318 E CA 1.599 57.951 56.400 -0.080 0.000 0.804 318 E CB -1.201 28.505 29.700 0.009 0.000 0.757 318 E HN 0.565 nan 8.360 nan 0.000 0.448 319 F N 1.570 121.439 119.950 -0.134 0.000 2.069 319 F HA -0.175 4.352 4.527 0.000 0.000 0.298 319 F C 2.297 178.022 175.800 -0.125 0.000 1.113 319 F CA 1.383 59.310 58.000 -0.121 0.000 1.214 319 F CB -0.232 38.691 39.000 -0.128 0.000 0.978 319 F HN -0.089 nan 8.300 nan 0.000 0.474 320 L N -0.858 120.390 121.223 0.043 0.000 2.275 320 L HA -0.167 4.173 4.340 0.000 0.000 0.215 320 L C 2.383 179.185 176.870 -0.112 0.000 1.119 320 L CA 0.892 55.740 54.840 0.014 0.000 0.790 320 L CB -0.820 41.284 42.059 0.075 0.000 0.919 320 L HN 0.091 nan 8.230 nan 0.000 0.443 321 S N 0.349 115.848 115.700 -0.335 0.000 2.368 321 S HA -0.142 4.329 4.470 0.000 0.000 0.224 321 S C 2.224 176.672 174.600 -0.254 0.000 1.029 321 S CA 1.282 59.240 58.200 -0.402 0.000 0.988 321 S CB -0.197 62.623 63.200 -0.632 0.000 0.838 321 S HN 0.512 nan 8.310 nan 0.000 0.462 322 A N 0.370 123.029 122.820 -0.269 0.000 2.014 322 A HA 0.041 4.362 4.320 0.000 0.000 0.218 322 A C 1.823 179.247 177.584 -0.266 0.000 1.163 322 A CA 0.918 52.799 52.037 -0.261 0.000 0.652 322 A CB -0.643 18.181 19.000 -0.294 0.000 0.808 322 A HN 0.535 nan 8.150 nan 0.000 0.449 323 F N 0.363 120.047 119.950 -0.444 0.000 2.456 323 F HA 0.041 4.569 4.527 0.000 0.000 0.298 323 F C 2.085 177.734 175.800 -0.252 0.000 1.104 323 F CA 0.950 58.678 58.000 -0.454 0.000 1.435 323 F CB 0.029 38.703 39.000 -0.543 0.000 1.078 323 F HN 0.094 nan 8.300 nan 0.000 0.546 324 R N -0.202 120.176 120.500 -0.203 0.000 2.246 324 R HA 0.047 4.387 4.340 0.000 0.000 0.199 324 R C 1.377 177.551 176.300 -0.210 0.000 0.984 324 R CA 0.702 56.684 56.100 -0.196 0.000 1.015 324 R CB -0.228 30.039 30.300 -0.055 0.000 0.930 324 R HN 0.268 nan 8.270 nan 0.000 0.475 325 N N 0.562 119.136 118.700 -0.210 0.000 2.405 325 N HA -0.018 4.722 4.740 0.000 0.000 0.175 325 N C 1.628 177.027 175.510 -0.185 0.000 1.051 325 N CA 0.341 53.287 53.050 -0.172 0.000 0.899 325 N CB 0.374 38.770 38.487 -0.153 0.000 1.000 325 N HN 0.165 nan 8.380 nan 0.000 0.451 326 L N 1.043 122.124 121.223 -0.236 0.000 2.056 326 L HA -0.093 4.247 4.340 0.000 0.000 0.207 326 L C 1.779 178.549 176.870 -0.167 0.000 1.078 326 L CA 1.517 56.238 54.840 -0.198 0.000 0.749 326 L CB 0.146 42.087 42.059 -0.195 0.000 0.901 326 L HN 0.008 nan 8.230 nan 0.000 0.433 327 K N -1.666 118.593 120.400 -0.236 0.000 2.286 327 K HA 0.111 4.431 4.320 0.000 0.000 0.203 327 K C 0.920 177.434 176.600 -0.143 0.000 1.078 327 K CA -0.205 55.977 56.287 -0.175 0.000 0.957 327 K CB 0.476 32.841 32.500 -0.225 0.000 1.018 327 K HN 0.112 nan 8.250 nan 0.000 0.484 334 Q N -0.157 119.592 119.800 -0.085 0.000 2.164 334 Q HA 0.187 4.527 4.340 0.000 0.000 0.226 334 Q C -0.216 175.986 176.000 0.337 0.000 0.813 334 Q CA -0.095 55.783 55.803 0.125 0.000 0.978 334 Q CB 0.777 29.590 28.738 0.125 0.000 1.149 334 Q HN 0.501 nan 8.270 nan 0.000 0.489 335 R N -0.209 120.409 120.500 0.196 0.000 2.460 335 R HA 0.551 4.891 4.340 0.000 0.000 0.303 335 R C -0.681 175.770 176.300 0.251 0.000 0.968 335 R CA -0.685 55.525 56.100 0.183 0.000 0.889 335 R CB 1.545 31.887 30.300 0.069 0.000 1.123 335 R HN -0.226 nan 8.270 nan 0.000 0.455 336 V N 3.466 123.503 119.914 0.205 0.000 2.304 336 V HA 0.143 4.263 4.120 0.000 0.000 0.269 336 V C 0.204 176.352 176.094 0.090 0.000 1.036 336 V CA -0.586 61.827 62.300 0.187 0.000 0.840 336 V CB 0.858 32.766 31.823 0.142 0.000 1.036 336 V HN 0.681 nan 8.190 nan 0.000 0.466 337 K N 5.793 126.224 120.400 0.053 0.000 2.336 337 K HA 0.062 4.382 4.320 0.000 0.000 0.290 337 K C -0.172 176.423 176.600 -0.008 0.000 1.067 337 K CA -0.225 56.069 56.287 0.012 0.000 0.962 337 K CB 0.299 32.792 32.500 -0.012 0.000 1.008 337 K HN 0.668 nan 8.250 nan 0.000 0.467 338 W N 5.225 126.430 121.300 -0.159 0.000 2.272 338 W HA 0.163 4.824 4.660 0.000 0.000 0.318 338 W C -0.435 176.018 176.519 -0.109 0.000 1.255 338 W CA -0.936 56.314 57.345 -0.158 0.000 1.200 338 W CB 1.107 30.406 29.460 -0.268 0.000 1.170 338 W HN 0.470 nan 8.180 nan 0.000 0.549 339 c N 6.234 124.651 118.600 -0.306 0.000 2.285 339 c HA 0.722 5.292 4.570 0.000 0.000 0.335 339 c C 0.292 174.398 174.090 0.027 0.000 1.267 339 c CA -0.308 55.947 56.329 -0.124 0.000 1.762 339 c CB -0.878 41.518 42.510 -0.189 0.000 2.365 339 c HN 0.588 nan 8.230 nan 0.000 0.527 340 A N 5.451 128.322 122.820 0.085 0.000 2.292 340 A HA 0.659 4.979 4.320 0.000 0.000 0.319 340 A C -0.577 177.023 177.584 0.028 0.000 1.206 340 A CA -0.344 51.758 52.037 0.109 0.000 0.835 340 A CB 0.858 19.925 19.000 0.112 0.000 1.164 340 A HN 0.825 nan 8.150 nan 0.000 0.505 341 V N 3.147 123.068 119.914 0.010 0.000 2.304 341 V HA 0.642 4.762 4.120 0.000 0.000 0.269 341 V C 0.835 176.908 176.094 -0.036 0.000 1.036 341 V CA 1.094 63.374 62.300 -0.034 0.000 0.840 341 V CB -0.348 31.434 31.823 -0.068 0.000 1.036 341 V HN 1.868 nan 8.190 nan 0.000 0.466 342 G N 4.567 113.349 108.800 -0.030 0.000 2.498 342 G HA2 -0.090 3.871 3.960 0.000 0.000 0.651 342 G HA3 -0.090 3.871 3.960 0.000 0.000 0.651 342 G C -0.086 174.806 174.900 -0.012 0.000 1.284 342 G CA 0.256 45.335 45.100 -0.035 0.000 0.950 342 G HN 0.598 nan 8.290 nan 0.000 0.511 343 Q N -0.593 119.195 119.800 -0.020 0.000 2.089 343 Q HA 0.131 4.471 4.340 0.000 0.000 0.195 343 Q C 2.646 178.646 176.000 0.000 0.000 0.963 343 Q CA 2.550 58.349 55.803 -0.007 0.000 0.834 343 Q CB -0.286 28.443 28.738 -0.015 0.000 0.906 343 Q HN 0.691 nan 8.270 nan 0.000 0.452 344 Q N -0.018 119.776 119.800 -0.010 0.000 2.181 344 Q HA -0.192 4.148 4.340 0.000 0.000 0.205 344 Q C 1.712 177.731 176.000 0.032 0.000 0.980 344 Q CA 1.528 57.337 55.803 0.009 0.000 0.862 344 Q CB -0.034 28.704 28.738 0.001 0.000 0.905 344 Q HN 0.496 nan 8.270 nan 0.000 0.429 345 E N 0.147 120.365 120.200 0.030 0.000 2.299 345 E HA -0.120 4.230 4.350 0.000 0.000 0.193 345 E C 1.844 178.488 176.600 0.073 0.000 0.998 345 E CA 0.169 56.603 56.400 0.057 0.000 0.851 345 E CB 0.289 30.019 29.700 0.050 0.000 0.795 345 E HN -0.010 nan 8.360 nan 0.000 0.492 346 R N 0.111 120.641 120.500 0.050 0.000 2.161 346 R HA -0.033 4.307 4.340 0.000 0.000 0.213 346 R C 2.110 178.436 176.300 0.044 0.000 1.055 346 R CA 1.870 57.998 56.100 0.047 0.000 0.996 346 R CB -0.652 29.664 30.300 0.027 0.000 0.901 346 R HN 0.226 nan 8.270 nan 0.000 0.456 347 T N -2.273 112.307 114.554 0.043 0.000 2.978 347 T HA -0.001 4.350 4.350 0.000 0.000 0.262 347 T C 1.761 176.502 174.700 0.068 0.000 1.063 347 T CA 0.873 62.997 62.100 0.041 0.000 1.140 347 T CB -0.150 68.738 68.868 0.034 0.000 0.886 347 T HN 0.216 nan 8.240 nan 0.000 0.470 348 K N -0.131 120.330 120.400 0.101 0.000 2.432 348 K HA 0.076 4.396 4.320 0.000 0.000 0.196 348 K C 2.192 178.931 176.600 0.232 0.000 1.038 348 K CA 0.577 56.967 56.287 0.172 0.000 0.986 348 K CB -0.339 32.255 32.500 0.158 0.000 0.782 348 K HN 0.449 nan 8.250 nan 0.000 0.485 349 c N 0.862 119.555 118.600 0.155 0.000 2.518 349 c HA 0.075 4.645 4.570 0.000 0.000 0.283 349 c C 1.803 175.902 174.090 0.014 0.000 1.351 349 c CA 0.285 56.694 56.329 0.133 0.000 1.745 349 c CB -0.361 42.200 42.510 0.084 0.000 2.107 349 c HN 0.457 nan 8.230 nan 0.000 0.502 350 D N 0.576 120.973 120.400 -0.004 0.000 2.312 350 D HA -0.104 4.536 4.640 0.000 0.000 0.211 350 D C 2.249 178.491 176.300 -0.097 0.000 0.964 350 D CA 0.960 54.928 54.000 -0.052 0.000 0.877 350 D CB -0.299 40.484 40.800 -0.029 0.000 0.924 350 D HN 0.792 nan 8.370 nan 0.000 0.515 351 Q N -0.825 118.911 119.800 -0.106 0.000 2.302 351 Q HA -0.081 4.259 4.340 0.000 0.000 0.202 351 Q C 1.962 177.653 176.000 -0.515 0.000 0.936 351 Q CA 0.288 55.964 55.803 -0.212 0.000 0.886 351 Q CB -0.451 28.222 28.738 -0.110 0.000 0.986 351 Q HN 0.206 nan 8.270 nan 0.000 0.487 352 W N 2.197 123.028 121.300 -0.783 0.000 2.518 352 W HA 0.189 4.850 4.660 0.000 0.000 0.273 352 W C 1.439 177.604 176.519 -0.591 0.000 1.247 352 W CA 0.782 57.469 57.345 -1.097 0.000 1.288 352 W CB -0.140 28.986 29.460 -0.556 0.000 1.107 352 W HN 0.072 nan 8.180 nan 0.000 0.586 353 S N 0.308 115.846 115.700 -0.269 0.000 2.436 353 S HA 0.034 4.504 4.470 0.000 0.000 0.228 353 S C 2.044 176.538 174.600 -0.177 0.000 1.014 353 S CA 0.988 59.037 58.200 -0.250 0.000 0.950 353 S CB -0.398 62.690 63.200 -0.187 0.000 0.784 353 S HN 0.264 nan 8.310 nan 0.000 0.504 354 A N 1.624 124.333 122.820 -0.186 0.000 1.854 354 A HA -0.019 4.301 4.320 0.000 0.000 0.214 354 A C 2.382 179.890 177.584 -0.126 0.000 1.192 354 A CA 1.574 53.529 52.037 -0.136 0.000 0.611 354 A CB -1.012 17.908 19.000 -0.133 0.000 0.832 354 A HN 0.519 nan 8.150 nan 0.000 0.442 355 V N -0.896 118.887 119.914 -0.218 0.000 2.809 355 V HA -0.116 4.004 4.120 0.000 0.000 0.256 355 V C 2.165 178.269 176.094 0.016 0.000 1.080 355 V CA 2.183 64.391 62.300 -0.154 0.000 1.102 355 V CB -1.235 30.345 31.823 -0.406 0.000 0.705 355 V HN 0.670 nan 8.190 nan 0.000 0.475 356 S N 0.155 115.849 115.700 -0.009 0.000 2.555 356 S HA 0.230 4.700 4.470 0.000 0.000 0.230 356 S C 1.955 176.612 174.600 0.095 0.000 0.978 356 S CA 1.058 59.336 58.200 0.129 0.000 0.934 356 S CB -0.300 62.930 63.200 0.049 0.000 0.766 356 S HN 1.662 nan 8.310 nan 0.000 0.533 357 G N 1.163 109.993 108.800 0.050 0.000 2.507 357 G HA2 -0.139 3.821 3.960 0.000 0.000 0.240 357 G HA3 -0.139 3.821 3.960 0.000 0.000 0.240 357 G C 0.883 175.795 174.900 0.021 0.000 1.119 357 G CA 0.171 45.296 45.100 0.042 0.000 0.664 357 G HN 1.893 nan 8.290 nan 0.000 0.516 358 G N -1.528 107.283 108.800 0.018 0.000 4.254 358 G HA2 0.500 4.460 3.960 0.000 0.000 0.221 358 G HA3 0.500 4.460 3.960 0.000 0.000 0.221 358 G C 0.743 175.658 174.900 0.024 0.000 0.838 358 G CA 1.348 46.453 45.100 0.008 0.000 1.093 358 G HN 1.726 nan 8.290 nan 0.000 0.761 359 A N -0.435 122.402 122.820 0.028 0.000 2.095 359 A HA 0.726 5.047 4.320 0.000 0.000 0.212 359 A C 0.661 178.249 177.584 0.007 0.000 1.162 359 A CA 0.742 52.810 52.037 0.052 0.000 0.753 359 A CB 0.242 19.279 19.000 0.061 0.000 0.840 359 A HN 0.850 nan 8.150 nan 0.000 0.468 360 L N -0.022 121.144 121.223 -0.094 0.000 2.376 360 L HA 0.736 5.076 4.340 0.000 0.000 0.275 360 L C 0.020 176.762 176.870 -0.214 0.000 0.987 360 L CA -0.155 54.557 54.840 -0.214 0.000 0.828 360 L CB 1.564 43.294 42.059 -0.549 0.000 1.249 360 L HN 0.207 nan 8.230 nan 0.000 0.409 361 A N 3.400 126.151 122.820 -0.115 0.000 2.452 361 A HA 0.845 5.165 4.320 0.000 0.000 0.285 361 A C -0.781 176.761 177.584 -0.071 0.000 1.209 361 A CA -0.445 51.540 52.037 -0.086 0.000 0.940 361 A CB 1.240 20.221 19.000 -0.032 0.000 1.440 361 A HN 0.754 nan 8.150 nan 0.000 0.480 362 c N -2.846 115.732 118.600 -0.037 0.000 3.259 362 c HA 0.969 5.539 4.570 0.000 0.000 0.328 362 c C -0.419 173.673 174.090 0.003 0.000 1.425 362 c CA 0.689 57.017 56.329 -0.001 0.000 1.465 362 c CB 1.530 44.031 42.510 -0.015 0.000 1.890 362 c HN 1.738 nan 8.230 nan 0.000 0.450 363 A N 0.782 123.611 122.820 0.014 0.000 2.590 363 A HA 0.659 4.979 4.320 0.000 0.000 0.296 363 A C -0.946 176.640 177.584 0.003 0.000 1.050 363 A CA -0.064 51.971 52.037 -0.003 0.000 0.697 363 A CB 1.227 20.213 19.000 -0.024 0.000 1.277 363 A HN 0.953 nan 8.150 nan 0.000 0.411 364 T N 1.151 115.702 114.554 -0.004 0.000 2.879 364 T HA 0.637 4.987 4.350 0.000 0.000 0.290 364 T C -1.121 173.569 174.700 -0.016 0.000 0.993 364 T CA -0.301 61.797 62.100 -0.003 0.000 0.975 364 T CB 0.892 69.763 68.868 0.005 0.000 0.981 364 T HN 0.611 nan 8.240 nan 0.000 0.439 365 E N 2.784 122.969 120.200 -0.026 0.000 2.320 365 E HA 0.378 4.728 4.350 0.000 0.000 0.264 365 E C 0.362 176.941 176.600 -0.036 0.000 0.923 365 E CA -0.777 55.602 56.400 -0.035 0.000 0.796 365 E CB 1.814 31.483 29.700 -0.052 0.000 1.262 365 E HN 0.628 nan 8.360 nan 0.000 0.428 366 E N 0.297 120.476 120.200 -0.035 0.000 2.140 366 E HA 0.009 4.359 4.350 0.000 0.000 0.191 366 E C 0.639 177.210 176.600 -0.050 0.000 0.973 366 E CA 0.889 57.271 56.400 -0.030 0.000 0.829 366 E CB 0.291 29.979 29.700 -0.019 0.000 0.781 366 E HN 0.601 nan 8.360 nan 0.000 0.466 367 T N -2.213 112.303 114.554 -0.063 0.000 2.893 367 T HA 0.362 4.712 4.350 0.000 0.000 0.291 367 T C -2.412 172.200 174.700 -0.148 0.000 1.028 367 T CA -2.275 59.774 62.100 -0.086 0.000 0.995 367 T CB 2.479 71.319 68.868 -0.047 0.000 1.051 367 T HN -0.344 nan 8.240 nan 0.000 0.470 368 P HA -0.176 nan 4.420 nan 0.000 0.218 368 P C 1.043 178.152 177.300 -0.318 0.000 1.154 368 P CA 1.364 64.204 63.100 -0.433 0.000 0.872 368 P CB 0.057 31.155 31.700 -1.003 0.000 0.790 369 E N -0.825 119.246 120.200 -0.215 0.000 2.153 369 E HA -0.161 4.190 4.350 0.000 0.000 0.194 369 E C 1.584 178.153 176.600 -0.051 0.000 0.988 369 E CA 1.179 57.551 56.400 -0.046 0.000 0.811 369 E CB -0.975 28.767 29.700 0.069 0.000 0.746 369 E HN 0.327 nan 8.360 nan 0.000 0.466 370 D N -0.590 119.770 120.400 -0.067 0.000 2.219 370 D HA -0.082 4.559 4.640 0.000 0.000 0.205 370 D C 1.407 177.665 176.300 -0.070 0.000 0.970 370 D CA 0.618 54.586 54.000 -0.054 0.000 0.851 370 D CB -0.221 40.549 40.800 -0.050 0.000 0.943 370 D HN 0.201 nan 8.370 nan 0.000 0.488 371 c N -0.041 118.499 118.600 -0.100 0.000 2.466 371 c HA 0.022 4.592 4.570 0.000 0.000 0.278 371 c C 2.664 176.686 174.090 -0.114 0.000 1.288 371 c CA 0.032 56.293 56.329 -0.115 0.000 1.722 371 c CB -0.797 41.626 42.510 -0.145 0.000 2.017 371 c HN 0.348 nan 8.230 nan 0.000 0.488 372 I N 1.171 121.678 120.570 -0.105 0.000 2.286 372 I HA -0.207 3.963 4.170 0.000 0.000 0.248 372 I C 2.675 178.752 176.117 -0.067 0.000 1.115 372 I CA 1.602 62.849 61.300 -0.087 0.000 1.392 372 I CB -0.473 37.488 38.000 -0.064 0.000 1.065 372 I HN 0.302 nan 8.210 nan 0.000 0.418 373 A N 0.665 123.454 122.820 -0.052 0.000 1.897 373 A HA -0.052 4.268 4.320 0.000 0.000 0.215 373 A C 2.566 180.123 177.584 -0.045 0.000 1.181 373 A CA 1.493 53.509 52.037 -0.035 0.000 0.620 373 A CB -0.730 18.257 19.000 -0.022 0.000 0.821 373 A HN 0.394 nan 8.150 nan 0.000 0.443 374 A N -0.601 122.183 122.820 -0.059 0.000 1.865 374 A HA -0.132 4.188 4.320 0.000 0.000 0.217 374 A C 2.326 179.858 177.584 -0.086 0.000 1.191 374 A CA 2.477 54.477 52.037 -0.063 0.000 0.623 374 A CB -1.464 17.494 19.000 -0.070 0.000 0.826 374 A HN 0.424 nan 8.150 nan 0.000 0.444 375 T N 0.337 114.822 114.554 -0.115 0.000 2.684 375 T HA -0.216 4.134 4.350 0.000 0.000 0.267 375 T C 1.939 176.526 174.700 -0.188 0.000 1.036 375 T CA 1.934 63.943 62.100 -0.152 0.000 1.148 375 T CB -0.409 68.366 68.868 -0.156 0.000 0.863 375 T HN 0.455 nan 8.240 nan 0.000 0.436 376 M N 0.708 120.222 119.600 -0.143 0.000 2.108 376 M HA -0.186 4.294 4.480 0.000 0.000 0.257 376 M C 2.277 178.470 176.300 -0.180 0.000 1.071 376 M CA 1.834 57.044 55.300 -0.150 0.000 1.093 376 M CB -0.445 32.125 32.600 -0.050 0.000 1.345 376 M HN 0.216 nan 8.290 nan 0.000 0.403 377 K N -0.860 119.492 120.400 -0.080 0.000 1.991 377 K HA 0.029 4.349 4.320 0.000 0.000 0.207 377 K C 1.377 177.987 176.600 0.016 0.000 1.045 377 K CA 1.326 57.626 56.287 0.021 0.000 0.937 377 K CB -0.131 32.385 32.500 0.027 0.000 0.720 377 K HN 0.526 nan 8.250 nan 0.000 0.438 378 G N 0.671 109.436 108.800 -0.058 0.000 2.407 378 G HA2 -0.113 3.847 3.960 0.000 0.000 0.210 378 G HA3 -0.113 3.847 3.960 0.000 0.000 0.210 378 G C 0.242 175.133 174.900 -0.016 0.000 1.015 378 G CA -0.214 44.865 45.100 -0.034 0.000 0.807 378 G HN 0.242 nan 8.290 nan 0.000 0.539 379 E N -0.111 120.071 120.200 -0.030 0.000 2.299 379 E HA 0.489 4.839 4.350 0.000 0.000 0.193 379 E C 1.238 177.811 176.600 -0.044 0.000 0.998 379 E CA 0.863 57.248 56.400 -0.025 0.000 0.851 379 E CB 0.580 30.267 29.700 -0.022 0.000 0.795 379 E HN 0.693 nan 8.360 nan 0.000 0.492 380 A N 0.170 122.945 122.820 -0.075 0.000 2.569 380 A HA 0.418 4.738 4.320 0.000 0.000 0.290 380 A C -0.729 176.780 177.584 -0.126 0.000 1.136 380 A CA -0.688 51.287 52.037 -0.102 0.000 0.710 380 A CB 1.443 20.361 19.000 -0.137 0.000 1.303 380 A HN -0.117 nan 8.150 nan 0.000 0.413 381 D N -0.900 119.409 120.400 -0.151 0.000 2.482 381 D HA 0.498 5.138 4.640 0.000 0.000 0.251 381 D C 0.407 176.582 176.300 -0.208 0.000 1.073 381 D CA 1.516 55.432 54.000 -0.138 0.000 0.892 381 D CB 1.249 42.023 40.800 -0.044 0.000 1.202 381 D HN 0.937 nan 8.370 nan 0.000 0.496 382 A N -0.143 122.453 122.820 -0.374 0.000 2.566 382 A HA 0.781 5.101 4.320 0.000 0.000 0.290 382 A C -1.725 175.233 177.584 -1.044 0.000 1.071 382 A CA -0.615 51.101 52.037 -0.535 0.000 0.658 382 A CB 1.295 20.016 19.000 -0.466 0.000 1.285 382 A HN 0.043 nan 8.150 nan 0.000 0.427 383 M N -1.551 117.469 119.600 -0.967 0.000 3.043 383 M HA 0.594 5.074 4.480 0.000 0.000 0.264 383 M C -0.473 175.675 176.300 -0.252 0.000 0.969 383 M CA -0.206 54.499 55.300 -0.991 0.000 0.785 383 M CB 0.891 33.100 32.600 -0.652 0.000 1.634 383 M HN 0.931 nan 8.290 nan 0.000 0.560 384 S N 0.547 116.264 115.700 0.028 0.000 2.537 384 S HA 0.895 5.366 4.470 0.000 0.000 0.275 384 S C -1.031 173.637 174.600 0.113 0.000 1.272 384 S CA -0.580 57.715 58.200 0.158 0.000 1.050 384 S CB 0.253 63.554 63.200 0.170 0.000 0.961 384 S HN 0.591 nan 8.310 nan 0.000 0.496 385 L N 2.973 124.306 121.223 0.184 0.000 2.370 385 L HA 0.493 4.833 4.340 0.000 0.000 0.266 385 L C -0.223 176.804 176.870 0.261 0.000 1.002 385 L CA -0.996 53.933 54.840 0.149 0.000 0.818 385 L CB 2.139 44.203 42.059 0.009 0.000 1.325 385 L HN 0.604 nan 8.230 nan 0.000 0.418 386 D N 0.689 121.293 120.400 0.340 0.000 2.371 386 D HA 0.184 4.824 4.640 0.000 0.000 0.242 386 D C 1.229 177.738 176.300 0.349 0.000 1.218 386 D CA 0.518 54.757 54.000 0.398 0.000 0.945 386 D CB 1.565 42.663 40.800 0.498 0.000 1.137 386 D HN 0.572 nan 8.370 nan 0.000 0.464 387 G N 0.033 109.018 108.800 0.309 0.000 2.422 387 G HA2 -0.164 3.796 3.960 0.000 0.000 0.218 387 G HA3 -0.164 3.796 3.960 0.000 0.000 0.218 387 G C 1.321 176.438 174.900 0.362 0.000 1.146 387 G CA 0.759 46.001 45.100 0.236 0.000 0.769 387 G HN 0.571 nan 8.290 nan 0.000 0.547 388 G N 0.397 109.346 108.800 0.248 0.000 2.394 388 G HA2 -0.064 3.896 3.960 0.000 0.000 0.214 388 G HA3 -0.064 3.896 3.960 0.000 0.000 0.214 388 G C 1.527 176.389 174.900 -0.064 0.000 1.176 388 G CA 0.449 45.572 45.100 0.039 0.000 0.786 388 G HN 0.389 nan 8.290 nan 0.000 0.533 389 F N 1.498 121.518 119.950 0.117 0.000 2.502 389 F HA 0.197 4.725 4.527 0.000 0.000 0.298 389 F C 2.809 178.553 175.800 -0.094 0.000 1.111 389 F CA 0.480 58.494 58.000 0.024 0.000 1.445 389 F CB 0.198 39.197 39.000 -0.002 0.000 1.081 389 F HN 0.229 nan 8.300 nan 0.000 0.558 390 A N -1.131 121.721 122.820 0.053 0.000 2.119 390 A HA -0.160 4.160 4.320 0.000 0.000 0.216 390 A C 1.848 179.409 177.584 -0.038 0.000 1.152 390 A CA 0.664 52.524 52.037 -0.295 0.000 0.708 390 A CB -1.001 17.951 19.000 -0.080 0.000 0.805 390 A HN 0.538 nan 8.150 nan 0.000 0.460 391 Y N -0.079 120.250 120.300 0.048 0.000 2.286 391 Y HA -0.081 4.470 4.550 0.000 0.000 0.293 391 Y C 2.112 177.952 175.900 -0.098 0.000 1.124 391 Y CA 1.746 59.908 58.100 0.104 0.000 1.178 391 Y CB 0.069 38.580 38.460 0.084 0.000 1.010 391 Y HN 0.065 nan 8.280 nan 0.000 0.536 392 V N 0.347 120.329 119.914 0.113 0.000 2.323 392 V HA -0.232 3.889 4.120 0.000 0.000 0.244 392 V C 2.629 178.682 176.094 -0.068 0.000 1.041 392 V CA 1.677 63.999 62.300 0.037 0.000 1.025 392 V CB -1.324 30.565 31.823 0.111 0.000 0.656 392 V HN 0.532 nan 8.190 nan 0.000 0.451 393 A N 0.425 123.159 122.820 -0.143 0.000 1.972 393 A HA -0.054 4.267 4.320 0.000 0.000 0.219 393 A C 2.334 179.781 177.584 -0.228 0.000 1.169 393 A CA 1.908 53.811 52.037 -0.223 0.000 0.635 393 A CB -0.996 17.722 19.000 -0.469 0.000 0.810 393 A HN 0.525 nan 8.150 nan 0.000 0.446 394 G N -1.717 106.847 108.800 -0.393 0.000 2.404 394 G HA2 -0.168 3.792 3.960 0.000 0.000 0.213 394 G HA3 -0.168 3.792 3.960 0.000 0.000 0.213 394 G C 1.432 175.853 174.900 -0.799 0.000 1.189 394 G CA 0.804 45.445 45.100 -0.765 0.000 0.796 394 G HN 0.716 nan 8.290 nan 0.000 0.532 395 H N -0.725 117.858 119.070 -0.812 0.000 2.518 395 H HA -0.061 4.495 4.556 0.000 0.000 0.292 395 H C 1.549 176.761 175.328 -0.193 0.000 1.068 395 H CA 0.752 56.543 56.048 -0.429 0.000 1.275 395 H CB 0.140 29.698 29.762 -0.340 0.000 1.375 395 H HN 0.316 nan 8.280 nan 0.000 0.563 396 c N -0.158 118.398 118.600 -0.073 0.000 2.754 396 c HA 0.256 4.826 4.570 0.000 0.000 0.276 396 c C 1.869 175.956 174.090 -0.004 0.000 1.264 396 c CA 0.593 56.914 56.329 -0.013 0.000 1.700 396 c CB -0.194 42.309 42.510 -0.012 0.000 1.885 396 c HN 0.844 nan 8.230 nan 0.000 0.607 397 G N 0.635 109.421 108.800 -0.023 0.000 2.194 397 G HA2 -0.189 3.772 3.960 0.000 0.000 0.236 397 G HA3 -0.189 3.772 3.960 0.000 0.000 0.236 397 G C 0.034 174.962 174.900 0.047 0.000 0.987 397 G CA -0.275 44.840 45.100 0.024 0.000 0.635 397 G HN 0.469 nan 8.290 nan 0.000 0.520 398 L N 1.260 122.518 121.223 0.057 0.000 2.375 398 L HA 0.673 5.013 4.340 0.000 0.000 0.271 398 L C 1.042 178.085 176.870 0.289 0.000 1.107 398 L CA -0.864 54.065 54.840 0.148 0.000 0.806 398 L CB 1.441 43.601 42.059 0.167 0.000 1.146 398 L HN 0.269 nan 8.230 nan 0.000 0.447 399 V N 0.397 120.412 119.914 0.167 0.000 2.919 399 V HA 0.668 4.788 4.120 0.000 0.000 0.316 399 V C -2.674 173.124 176.094 -0.493 0.000 1.077 399 V CA -2.637 59.661 62.300 -0.003 0.000 0.977 399 V CB 1.615 33.441 31.823 0.006 0.000 1.039 399 V HN 0.506 nan 8.190 nan 0.000 0.441 400 P HA 0.444 nan 4.420 nan 0.000 0.274 400 P C 0.220 177.235 177.300 -0.475 0.000 1.231 400 P CA -0.135 62.329 63.100 -1.060 0.000 0.790 400 P CB 1.444 32.627 31.700 -0.861 0.000 0.951 401 V N 1.119 120.805 119.914 -0.380 0.000 2.948 401 V HA 0.277 4.397 4.120 0.000 0.000 0.234 401 V C 0.614 176.613 176.094 -0.158 0.000 1.205 401 V CA 0.686 62.868 62.300 -0.197 0.000 1.234 401 V CB -0.232 31.510 31.823 -0.135 0.000 1.020 401 V HN 0.341 nan 8.190 nan 0.000 0.491 402 L N -0.666 120.472 121.223 -0.143 0.000 2.540 402 L HA 0.801 5.141 4.340 0.000 0.000 0.256 402 L C -1.108 175.739 176.870 -0.039 0.000 1.001 402 L CA -0.590 54.201 54.840 -0.081 0.000 0.843 402 L CB 2.249 44.241 42.059 -0.112 0.000 1.436 402 L HN 0.162 nan 8.230 nan 0.000 0.410 403 A N 0.691 123.530 122.820 0.032 0.000 2.317 403 A HA 0.433 4.753 4.320 0.000 0.000 0.327 403 A C -0.315 177.321 177.584 0.087 0.000 1.178 403 A CA -0.388 51.711 52.037 0.103 0.000 0.817 403 A CB 1.035 20.195 19.000 0.266 0.000 1.189 403 A HN 0.746 nan 8.150 nan 0.000 0.489 404 E N 2.745 123.003 120.200 0.098 0.000 1.775 404 E HA 0.012 4.362 4.350 0.000 0.000 0.266 404 E C -0.147 176.281 176.600 -0.286 0.000 1.191 404 E CA -0.192 56.163 56.400 -0.075 0.000 1.048 404 E CB -0.335 29.382 29.700 0.027 0.000 1.081 404 E HN 0.612 nan 8.360 nan 0.000 0.434 405 N N 3.194 121.758 118.700 -0.227 0.000 2.440 405 N HA -0.011 4.729 4.740 0.000 0.000 0.265 405 N C -1.181 174.159 175.510 -0.284 0.000 1.239 405 N CA 0.308 53.263 53.050 -0.158 0.000 0.909 405 N CB 0.336 38.760 38.487 -0.105 0.000 1.066 405 N HN 0.292 nan 8.380 nan 0.000 0.474 406 Y N 2.095 122.369 120.300 -0.043 0.000 2.453 406 Y HA 0.348 4.898 4.550 0.000 0.000 0.344 406 Y C 0.378 176.224 175.900 -0.091 0.000 1.323 406 Y CA -0.924 57.138 58.100 -0.063 0.000 1.526 406 Y CB 0.239 38.708 38.460 0.014 0.000 1.603 406 Y HN 0.277 nan 8.280 nan 0.000 0.563 407 L N 1.088 122.370 121.223 0.098 0.000 2.578 407 L HA -0.023 4.318 4.340 0.000 0.000 0.279 407 L C 0.210 177.043 176.870 -0.062 0.000 1.227 407 L CA 0.735 55.551 54.840 -0.040 0.000 0.900 407 L CB -0.285 41.749 42.059 -0.042 0.000 1.144 407 L HN 0.489 nan 8.230 nan 0.000 0.496 408 S N 0.163 115.776 115.700 -0.145 0.000 2.646 408 S HA 0.335 4.805 4.470 0.000 0.000 0.276 408 S C 0.023 174.526 174.600 -0.162 0.000 1.222 408 S CA -0.699 57.429 58.200 -0.119 0.000 1.014 408 S CB 1.043 64.171 63.200 -0.120 0.000 0.991 408 S HN 0.766 nan 8.310 nan 0.000 0.533 409 T N 1.344 115.859 114.554 -0.065 0.000 2.666 409 T HA -0.089 4.262 4.350 0.000 0.000 0.265 409 T C 0.046 174.720 174.700 -0.042 0.000 1.009 409 T CA 0.025 62.116 62.100 -0.015 0.000 1.238 409 T CB -0.617 68.262 68.868 0.019 0.000 0.969 409 T HN 0.509 nan 8.240 nan 0.000 0.515 410 H N 3.379 122.449 119.070 -0.000 0.000 3.191 410 H HA 0.190 4.746 4.556 0.000 0.000 0.261 410 H C 0.901 176.227 175.328 -0.004 0.000 1.013 410 H CA 0.548 56.591 56.048 -0.008 0.000 1.457 410 H CB 0.749 30.502 29.762 -0.014 0.000 1.535 410 H HN 0.863 nan 8.280 nan 0.000 0.518 411 S N 2.079 117.833 115.700 0.090 0.000 2.290 411 S HA -0.007 4.464 4.470 0.000 0.000 0.266 411 S C 0.290 174.911 174.600 0.036 0.000 0.995 411 S CA -0.067 58.167 58.200 0.057 0.000 1.482 411 S CB 0.360 63.580 63.200 0.033 0.000 1.176 411 S HN 0.496 nan 8.310 nan 0.000 0.599 412 S N -0.118 115.595 115.700 0.020 0.000 2.638 412 S HA 0.648 5.118 4.470 0.000 0.000 0.298 412 S C 1.452 176.061 174.600 0.016 0.000 1.111 412 S CA 0.162 58.365 58.200 0.005 0.000 1.027 412 S CB 1.159 64.346 63.200 -0.022 0.000 1.064 412 S HN 0.421 nan 8.310 nan 0.000 0.525 413 G N 2.579 111.383 108.800 0.006 0.000 2.480 413 G HA2 0.054 4.014 3.960 0.000 0.000 0.216 413 G HA3 0.054 4.014 3.960 0.000 0.000 0.216 413 G C 0.354 175.254 174.900 -0.000 0.000 1.200 413 G CA 0.940 46.045 45.100 0.008 0.000 0.782 413 G HN 0.922 nan 8.290 nan 0.000 0.554 414 R N -1.379 119.108 120.500 -0.022 0.000 2.733 414 R HA 0.624 4.964 4.340 0.000 0.000 0.272 414 R C -1.181 175.086 176.300 -0.056 0.000 1.029 414 R CA -0.974 55.102 56.100 -0.040 0.000 0.888 414 R CB 0.824 31.101 30.300 -0.039 0.000 1.251 414 R HN 0.276 nan 8.270 nan 0.000 0.464 415 L N -1.605 119.575 121.223 -0.072 0.000 2.322 415 L HA 0.978 5.319 4.340 0.000 0.000 0.269 415 L C -0.243 176.581 176.870 -0.078 0.000 1.012 415 L CA -0.639 54.154 54.840 -0.077 0.000 0.815 415 L CB 2.016 44.020 42.059 -0.092 0.000 1.295 415 L HN 0.857 nan 8.230 nan 0.000 0.438 416 G N -0.271 108.485 108.800 -0.073 0.000 3.291 416 G HA2 0.265 4.225 3.960 0.000 0.000 0.173 416 G HA3 0.265 4.225 3.960 0.000 0.000 0.173 416 G C 0.406 175.260 174.900 -0.077 0.000 1.099 416 G CA 0.143 45.198 45.100 -0.075 0.000 0.794 416 G HN 0.778 nan 8.290 nan 0.000 0.651 417 S N 0.422 116.076 115.700 -0.076 0.000 2.626 417 S HA -0.034 4.437 4.470 0.000 0.000 0.245 417 S C 1.465 176.018 174.600 -0.079 0.000 0.973 417 S CA 0.940 59.090 58.200 -0.084 0.000 0.959 417 S CB -0.170 62.980 63.200 -0.085 0.000 0.762 417 S HN 0.383 nan 8.310 nan 0.000 0.539 418 K N 0.290 120.648 120.400 -0.070 0.000 2.365 418 K HA 0.137 4.457 4.320 0.000 0.000 0.197 418 K C 2.071 178.635 176.600 -0.061 0.000 1.042 418 K CA 0.596 56.847 56.287 -0.061 0.000 0.987 418 K CB -0.823 31.642 32.500 -0.057 0.000 0.779 418 K HN 0.562 nan 8.250 nan 0.000 0.484 419 c N 0.888 119.446 118.600 -0.070 0.000 2.486 419 c HA -0.022 4.549 4.570 0.000 0.000 0.279 419 c C 2.602 176.667 174.090 -0.042 0.000 1.302 419 c CA 0.187 56.474 56.329 -0.070 0.000 1.720 419 c CB -0.665 41.783 42.510 -0.102 0.000 2.030 419 c HN 0.211 nan 8.230 nan 0.000 0.490 420 V N 1.707 121.598 119.914 -0.039 0.000 2.418 420 V HA -0.257 3.863 4.120 0.000 0.000 0.258 420 V C 1.487 177.601 176.094 0.034 0.000 1.088 420 V CA 2.561 64.863 62.300 0.002 0.000 1.091 420 V CB -0.813 30.926 31.823 -0.140 0.000 0.669 420 V HN 0.627 nan 8.190 nan 0.000 0.461 421 N N -1.069 117.627 118.700 -0.006 0.000 2.238 421 N HA 0.389 5.129 4.740 0.000 0.000 0.235 421 N C 0.072 175.586 175.510 0.006 0.000 1.209 421 N CA 0.475 53.532 53.050 0.012 0.000 0.879 421 N CB 0.632 39.114 38.487 -0.008 0.000 1.136 421 N HN 0.426 nan 8.380 nan 0.000 0.517 422 A N 2.100 124.917 122.820 -0.004 0.000 2.410 422 A HA 0.316 4.636 4.320 0.000 0.000 0.292 422 A C -2.033 175.554 177.584 0.004 0.000 1.232 422 A CA -1.009 51.022 52.037 -0.011 0.000 0.893 422 A CB -0.214 18.767 19.000 -0.032 0.000 1.131 422 A HN 0.072 nan 8.150 nan 0.000 0.530 423 P HA 0.211 nan 4.420 nan 0.000 0.270 423 P C -0.747 176.561 177.300 0.013 0.000 1.223 423 P CA -0.137 62.973 63.100 0.016 0.000 0.785 423 P CB 1.015 32.718 31.700 0.005 0.000 0.923 424 L N 1.289 122.524 121.223 0.020 0.000 2.455 424 L HA 0.234 4.574 4.340 0.000 0.000 0.264 424 L C 0.473 177.332 176.870 -0.019 0.000 0.968 424 L CA -0.420 54.435 54.840 0.024 0.000 0.827 424 L CB 2.015 44.125 42.059 0.085 0.000 1.317 424 L HN 0.513 nan 8.230 nan 0.000 0.407 425 E N 2.668 122.833 120.200 -0.059 0.000 2.424 425 E HA 0.302 4.653 4.350 0.000 0.000 0.237 425 E C 0.958 177.417 176.600 -0.235 0.000 1.381 425 E CA 0.502 56.813 56.400 -0.149 0.000 1.587 425 E CB 0.011 29.613 29.700 -0.164 0.000 1.398 425 E HN 0.874 nan 8.360 nan 0.000 0.439 426 G N 1.248 109.971 108.800 -0.128 0.000 2.582 426 G HA2 -0.348 3.613 3.960 0.000 0.000 0.300 426 G HA3 -0.348 3.613 3.960 0.000 0.000 0.300 426 G C -0.436 174.334 174.900 -0.217 0.000 1.300 426 G CA 0.748 45.764 45.100 -0.139 0.000 0.959 426 G HN 0.501 nan 8.290 nan 0.000 0.548 427 Y N -2.865 117.134 120.300 -0.502 0.000 2.576 427 Y HA 0.749 5.299 4.550 0.000 0.000 0.346 427 Y C -0.760 174.588 175.900 -0.920 0.000 1.018 427 Y CA -2.456 55.116 58.100 -0.879 0.000 1.050 427 Y CB 0.804 38.957 38.460 -0.512 0.000 1.280 427 Y HN 0.577 nan 8.280 nan 0.000 0.474 428 Y N 1.236 120.999 120.300 -0.894 0.000 2.365 428 Y HA 0.469 5.019 4.550 0.000 0.000 0.340 428 Y C 0.007 175.800 175.900 -0.178 0.000 1.016 428 Y CA -1.101 56.690 58.100 -0.515 0.000 1.196 428 Y CB 1.082 39.297 38.460 -0.409 0.000 1.167 428 Y HN 0.471 nan 8.280 nan 0.000 0.509 429 V N 5.614 125.538 119.914 0.017 0.000 2.530 429 V HA 0.388 4.508 4.120 0.000 0.000 0.282 429 V C -0.064 176.111 176.094 0.135 0.000 1.048 429 V CA -0.561 61.803 62.300 0.107 0.000 0.997 429 V CB 0.898 32.759 31.823 0.062 0.000 0.987 429 V HN 0.591 nan 8.190 nan 0.000 0.477 430 V N 2.398 122.405 119.914 0.155 0.000 2.735 430 V HA 0.978 5.098 4.120 0.000 0.000 0.310 430 V C -0.099 176.086 176.094 0.151 0.000 1.061 430 V CA -0.985 61.395 62.300 0.133 0.000 0.913 430 V CB 1.795 33.687 31.823 0.115 0.000 1.005 430 V HN 0.981 nan 8.190 nan 0.000 0.428 431 A N 3.565 126.469 122.820 0.139 0.000 2.249 431 A HA 0.791 5.111 4.320 0.000 0.000 0.314 431 A C -0.360 177.234 177.584 0.017 0.000 1.290 431 A CA -0.511 51.616 52.037 0.151 0.000 0.893 431 A CB 1.097 20.303 19.000 0.344 0.000 1.165 431 A HN 1.765 nan 8.150 nan 0.000 0.530 432 V N 4.467 124.333 119.914 -0.080 0.000 2.630 432 V HA 0.823 4.943 4.120 0.000 0.000 0.305 432 V C -0.347 175.713 176.094 -0.057 0.000 1.046 432 V CA -0.064 62.214 62.300 -0.036 0.000 0.934 432 V CB 1.808 33.611 31.823 -0.034 0.000 1.003 432 V HN 1.380 nan 8.190 nan 0.000 0.451 433 V N 2.836 122.772 119.914 0.037 0.000 3.049 433 V HA 0.633 4.753 4.120 0.000 0.000 0.309 433 V C -0.536 175.624 176.094 0.110 0.000 1.148 433 V CA -1.345 60.980 62.300 0.042 0.000 0.990 433 V CB 1.776 33.622 31.823 0.040 0.000 1.039 433 V HN 0.879 nan 8.190 nan 0.000 0.430 434 K N 1.331 121.784 120.400 0.087 0.000 2.436 434 K HA 0.184 4.504 4.320 0.000 0.000 0.275 434 K C 0.637 177.243 176.600 0.010 0.000 0.999 434 K CA -0.098 56.214 56.287 0.042 0.000 0.980 434 K CB 0.884 33.379 32.500 -0.009 0.000 0.919 434 K HN 0.760 nan 8.250 nan 0.000 0.484 435 K N 1.384 121.767 120.400 -0.029 0.000 2.432 435 K HA -0.054 4.266 4.320 0.000 0.000 0.196 435 K C 1.276 177.857 176.600 -0.032 0.000 1.038 435 K CA 0.514 56.791 56.287 -0.017 0.000 0.986 435 K CB 0.265 32.751 32.500 -0.023 0.000 0.782 435 K HN 0.476 nan 8.250 nan 0.000 0.485 436 S N 0.982 116.649 115.700 -0.056 0.000 2.356 436 S HA -0.137 4.333 4.470 0.000 0.000 0.223 436 S C 0.662 175.249 174.600 -0.022 0.000 1.032 436 S CA 0.903 59.075 58.200 -0.048 0.000 1.005 436 S CB -0.164 63.000 63.200 -0.061 0.000 0.867 436 S HN 0.393 nan 8.310 nan 0.000 0.449 437 D N 2.297 122.690 120.400 -0.010 0.000 2.343 437 D HA 0.119 4.759 4.640 0.000 0.000 0.255 437 D C 0.173 176.479 176.300 0.010 0.000 1.187 437 D CA -0.075 53.926 54.000 0.003 0.000 0.875 437 D CB 1.179 41.985 40.800 0.011 0.000 1.136 437 D HN 0.155 nan 8.370 nan 0.000 0.469 438 V N 2.378 122.298 119.914 0.009 0.000 2.847 438 V HA 0.579 4.700 4.120 0.000 0.000 0.364 438 V C 0.902 177.008 176.094 0.020 0.000 1.374 438 V CA 0.239 62.547 62.300 0.014 0.000 1.542 438 V CB 0.289 32.117 31.823 0.008 0.000 1.471 438 V HN 0.604 nan 8.190 nan 0.000 0.557 439 G N 0.788 109.604 108.800 0.027 0.000 2.540 439 G HA2 0.260 4.221 3.960 0.000 0.000 0.163 439 G HA3 0.260 4.221 3.960 0.000 0.000 0.163 439 G C 0.194 175.121 174.900 0.045 0.000 1.501 439 G CA -0.372 44.747 45.100 0.031 0.000 0.715 439 G HN 0.463 nan 8.290 nan 0.000 1.086 440 I N 2.694 123.295 120.570 0.052 0.000 2.587 440 I HA 0.364 4.535 4.170 0.000 0.000 0.284 440 I C 0.502 176.681 176.117 0.104 0.000 1.134 440 I CA 0.619 61.965 61.300 0.076 0.000 1.410 440 I CB 1.130 39.174 38.000 0.073 0.000 1.392 440 I HN 0.053 nan 8.210 nan 0.000 0.545 441 T N 5.003 119.633 114.554 0.126 0.000 2.841 441 T HA 0.157 4.507 4.350 0.000 0.000 0.296 441 T C 0.319 175.167 174.700 0.246 0.000 1.166 441 T CA -0.657 61.547 62.100 0.173 0.000 1.007 441 T CB 1.315 70.261 68.868 0.131 0.000 1.253 441 T HN 0.708 nan 8.240 nan 0.000 0.511 442 W N 1.927 123.294 121.300 0.111 0.000 2.611 442 W HA 0.051 4.712 4.660 0.000 0.000 0.251 442 W C 0.952 177.550 176.519 0.131 0.000 1.265 442 W CA 0.478 57.910 57.345 0.144 0.000 1.295 442 W CB 0.306 29.834 29.460 0.115 0.000 1.129 442 W HN 0.532 nan 8.180 nan 0.000 0.630 443 K N 0.336 120.817 120.400 0.135 0.000 2.444 443 K HA -0.018 4.302 4.320 0.000 0.000 0.193 443 K C 0.742 177.328 176.600 -0.024 0.000 1.024 443 K CA 0.828 57.140 56.287 0.040 0.000 1.077 443 K CB 0.119 32.663 32.500 0.073 0.000 0.833 443 K HN 0.116 nan 8.250 nan 0.000 0.517 444 S N -0.344 115.345 115.700 -0.017 0.000 2.680 444 S HA 0.240 4.710 4.470 0.000 0.000 0.153 444 S C 0.400 174.987 174.600 -0.022 0.000 1.224 444 S CA -0.539 57.630 58.200 -0.051 0.000 1.197 444 S CB -0.538 62.649 63.200 -0.022 0.000 1.634 444 S HN -0.037 nan 8.310 nan 0.000 0.422 445 L N 0.884 122.095 121.223 -0.019 0.000 2.416 445 L HA 0.346 4.687 4.340 0.000 0.000 0.216 445 L C 1.471 178.333 176.870 -0.013 0.000 1.098 445 L CA 0.560 55.524 54.840 0.206 0.000 0.840 445 L CB -0.226 42.139 42.059 0.511 0.000 0.981 445 L HN 0.638 nan 8.230 nan 0.000 0.462 446 Q N 0.381 119.770 119.800 -0.684 0.000 2.386 446 Q HA 0.193 4.534 4.340 0.000 0.000 0.282 446 Q C 1.328 177.094 176.000 -0.389 0.000 1.050 446 Q CA 1.061 56.181 55.803 -1.138 0.000 0.918 446 Q CB 0.380 28.382 28.738 -1.226 0.000 1.266 446 Q HN 0.368 nan 8.270 nan 0.000 0.423 447 G N 2.816 111.471 108.800 -0.242 0.000 2.267 447 G HA2 -0.308 3.653 3.960 0.000 0.000 0.257 447 G HA3 -0.308 3.653 3.960 0.000 0.000 0.257 447 G C -0.180 174.765 174.900 0.075 0.000 0.998 447 G CA 0.525 45.593 45.100 -0.054 0.000 0.620 447 G HN 0.566 nan 8.290 nan 0.000 0.529 448 K N 0.951 121.451 120.400 0.167 0.000 2.144 448 K HA 0.455 4.775 4.320 0.000 0.000 0.270 448 K C 0.312 177.082 176.600 0.283 0.000 1.005 448 K CA -0.566 55.843 56.287 0.204 0.000 0.932 448 K CB 0.956 33.573 32.500 0.194 0.000 1.021 448 K HN 0.183 nan 8.250 nan 0.000 0.462 449 K N 1.356 121.836 120.400 0.133 0.000 2.350 449 K HA 0.074 4.394 4.320 0.000 0.000 0.279 449 K C -0.038 176.512 176.600 -0.083 0.000 1.027 449 K CA -0.122 56.208 56.287 0.072 0.000 0.969 449 K CB 0.798 33.319 32.500 0.034 0.000 0.954 449 K HN 0.655 nan 8.250 nan 0.000 0.474 450 S N 0.805 116.385 115.700 -0.201 0.000 2.599 450 S HA 0.575 5.045 4.470 0.000 0.000 0.294 450 S C -0.729 173.637 174.600 -0.390 0.000 1.094 450 S CA -0.989 56.907 58.200 -0.507 0.000 0.931 450 S CB 1.307 63.837 63.200 -1.116 0.000 1.093 450 S HN 0.588 nan 8.310 nan 0.000 0.488 451 c N 2.626 120.907 118.600 -0.531 0.000 2.396 451 c HA 0.651 5.221 4.570 0.000 0.000 0.321 451 c C -0.584 173.255 174.090 -0.417 0.000 1.233 451 c CA -0.560 55.541 56.329 -0.382 0.000 1.440 451 c CB 0.028 42.319 42.510 -0.365 0.000 2.110 451 c HN 0.887 nan 8.230 nan 0.000 0.473 452 H N 1.675 120.781 119.070 0.060 0.000 2.469 452 H HA 0.251 4.807 4.556 0.000 0.000 0.342 452 H C 1.110 176.460 175.328 0.037 0.000 1.115 452 H CA 0.065 56.200 56.048 0.146 0.000 1.204 452 H CB 1.944 31.847 29.762 0.235 0.000 1.492 452 H HN 0.780 nan 8.280 nan 0.000 0.499 453 T N 1.041 115.687 114.554 0.154 0.000 2.597 453 T HA 0.003 4.353 4.350 0.000 0.000 0.267 453 T C 0.868 175.491 174.700 -0.129 0.000 1.053 453 T CA 1.060 63.160 62.100 -0.000 0.000 1.165 453 T CB 0.078 68.971 68.868 0.042 0.000 0.863 453 T HN 0.743 nan 8.240 nan 0.000 0.427 454 A N -0.095 122.690 122.820 -0.059 0.000 2.569 454 A HA 0.559 4.879 4.320 0.000 0.000 0.292 454 A C -0.466 176.979 177.584 -0.233 0.000 1.032 454 A CA -0.604 51.349 52.037 -0.141 0.000 0.669 454 A CB 0.579 19.496 19.000 -0.138 0.000 1.290 454 A HN 1.190 nan 8.150 nan 0.000 0.422 455 V N -0.088 119.512 119.914 -0.523 0.000 2.924 455 V HA 0.676 4.796 4.120 0.000 0.000 0.305 455 V C 1.372 177.144 176.094 -0.535 0.000 1.073 455 V CA 0.816 62.395 62.300 -1.201 0.000 1.098 455 V CB 0.609 31.579 31.823 -1.422 0.000 1.000 455 V HN 2.936 nan 8.190 nan 0.000 0.484 456 G N 2.260 110.781 108.800 -0.465 0.000 2.234 456 G HA2 -0.242 3.718 3.960 0.000 0.000 0.260 456 G HA3 -0.242 3.718 3.960 0.000 0.000 0.260 456 G C 0.409 175.022 174.900 -0.477 0.000 0.987 456 G CA 0.650 45.530 45.100 -0.367 0.000 0.625 456 G HN 1.828 nan 8.290 nan 0.000 0.532 457 T N -1.307 113.189 114.554 -0.096 0.000 2.904 457 T HA 0.689 5.039 4.350 0.000 0.000 0.290 457 T C 1.462 176.240 174.700 0.130 0.000 1.018 457 T CA 0.638 62.788 62.100 0.083 0.000 1.075 457 T CB 1.799 70.791 68.868 0.206 0.000 0.986 457 T HN 0.211 nan 8.240 nan 0.000 0.523 458 S N 1.495 117.308 115.700 0.188 0.000 2.343 458 S HA -0.117 4.353 4.470 0.000 0.000 0.219 458 S C 1.936 176.631 174.600 0.159 0.000 1.033 458 S CA 1.494 59.809 58.200 0.192 0.000 1.014 458 S CB -0.530 62.789 63.200 0.198 0.000 0.915 458 S HN 0.873 nan 8.310 nan 0.000 0.435 459 E N 1.023 121.359 120.200 0.226 0.000 2.037 459 E HA -0.138 4.212 4.350 0.000 0.000 0.214 459 E C 1.748 178.480 176.600 0.221 0.000 1.041 459 E CA 1.528 58.061 56.400 0.221 0.000 0.872 459 E CB -0.682 29.143 29.700 0.208 0.000 0.785 459 E HN 0.503 nan 8.360 nan 0.000 0.476 460 G N -2.135 106.819 108.800 0.256 0.000 3.814 460 G HA2 0.181 4.141 3.960 0.000 0.000 0.293 460 G HA3 0.181 4.141 3.960 0.000 0.000 0.293 460 G C -0.200 174.980 174.900 0.466 0.000 1.243 460 G CA -0.430 44.904 45.100 0.390 0.000 1.053 460 G HN 0.228 nan 8.290 nan 0.000 0.562 461 W N -0.827 120.397 121.300 -0.127 0.000 4.696 461 W HA -0.061 4.600 4.660 0.000 0.000 0.163 461 W C 0.845 177.068 176.519 -0.493 0.000 3.440 461 W CA -0.026 57.147 57.345 -0.286 0.000 1.414 461 W CB -0.222 29.127 29.460 -0.185 0.000 1.903 461 W HN 0.112 nan 8.180 nan 0.000 0.607 462 N N 1.358 119.865 118.700 -0.322 0.000 2.091 462 N HA -0.172 4.568 4.740 0.000 0.000 0.193 462 N C 1.306 176.297 175.510 -0.866 0.000 1.021 462 N CA 2.133 54.716 53.050 -0.779 0.000 0.862 462 N CB -0.855 37.405 38.487 -0.379 0.000 1.018 462 N HN 0.027 nan 8.380 nan 0.000 0.429 463 V N 2.331 121.964 119.914 -0.469 0.000 2.283 463 V HA -0.062 4.058 4.120 0.000 0.000 0.239 463 V C -0.618 175.241 176.094 -0.392 0.000 1.035 463 V CA 1.409 63.495 62.300 -0.356 0.000 1.018 463 V CB -1.224 30.503 31.823 -0.160 0.000 0.658 463 V HN 0.234 nan 8.190 nan 0.000 0.459 464 P HA -0.174 nan 4.420 nan 0.000 0.215 464 P C 1.640 178.633 177.300 -0.511 0.000 1.153 464 P CA 1.756 64.549 63.100 -0.511 0.000 0.853 464 P CB -0.113 30.834 31.700 -1.254 0.000 0.788 465 M N -1.213 117.919 119.600 -0.779 0.000 2.558 465 M HA 0.119 4.599 4.480 0.000 0.000 0.255 465 M C 2.264 178.132 176.300 -0.719 0.000 1.113 465 M CA 0.975 55.698 55.300 -0.961 0.000 1.097 465 M CB -1.760 29.873 32.600 -1.612 0.000 1.426 465 M HN -0.019 nan 8.290 nan 0.000 0.488 466 G N 0.227 108.500 108.800 -0.879 0.000 2.408 466 G HA2 -0.052 3.908 3.960 0.000 0.000 0.215 466 G HA3 -0.052 3.908 3.960 0.000 0.000 0.215 466 G C 1.666 176.494 174.900 -0.119 0.000 1.156 466 G CA 0.185 44.910 45.100 -0.626 0.000 0.793 466 G HN 0.368 nan 8.290 nan 0.000 0.535 467 L N -0.243 120.907 121.223 -0.122 0.000 2.095 467 L HA 0.095 4.435 4.340 0.000 0.000 0.204 467 L C 2.637 179.543 176.870 0.061 0.000 1.080 467 L CA 0.222 55.089 54.840 0.044 0.000 0.759 467 L CB -0.268 41.888 42.059 0.162 0.000 0.914 467 L HN 0.070 nan 8.230 nan 0.000 0.439 468 I N -0.861 119.675 120.570 -0.058 0.000 2.335 468 I HA -0.341 3.829 4.170 0.000 0.000 0.251 468 I C 2.320 178.422 176.117 -0.025 0.000 1.129 468 I CA 1.564 62.725 61.300 -0.231 0.000 1.402 468 I CB -0.407 37.234 38.000 -0.599 0.000 1.069 468 I HN 0.191 nan 8.210 nan 0.000 0.424 469 Y N 0.884 121.205 120.300 0.035 0.000 2.395 469 Y HA -0.160 4.390 4.550 0.000 0.000 0.293 469 Y C 1.750 177.680 175.900 0.050 0.000 1.123 469 Y CA 1.218 59.386 58.100 0.115 0.000 1.227 469 Y CB -0.080 38.537 38.460 0.262 0.000 1.012 469 Y HN 0.170 nan 8.280 nan 0.000 0.552 470 D N -0.224 120.230 120.400 0.089 0.000 2.349 470 D HA -0.087 4.553 4.640 0.000 0.000 0.224 470 D C 1.677 177.954 176.300 -0.038 0.000 1.029 470 D CA 0.640 54.648 54.000 0.014 0.000 0.879 470 D CB 0.042 40.889 40.800 0.077 0.000 0.906 470 D HN 0.557 nan 8.370 nan 0.000 0.528 471 Q N -0.459 119.313 119.800 -0.047 0.000 2.423 471 Q HA -0.019 4.321 4.340 0.000 0.000 0.231 471 Q C 1.524 177.487 176.000 -0.061 0.000 0.894 471 Q CA 0.851 56.634 55.803 -0.033 0.000 0.938 471 Q CB 0.522 29.255 28.738 -0.008 0.000 1.079 471 Q HN 0.313 nan 8.270 nan 0.000 0.552 472 T N -4.497 109.997 114.554 -0.100 0.000 3.111 472 T HA 0.371 4.721 4.350 0.000 0.000 0.236 472 T C 1.331 175.894 174.700 -0.228 0.000 0.984 472 T CA 0.906 62.946 62.100 -0.101 0.000 1.195 472 T CB 0.568 69.431 68.868 -0.008 0.000 0.929 472 T HN 0.381 nan 8.240 nan 0.000 0.431 473 G N 0.576 109.103 108.800 -0.456 0.000 2.168 473 G HA2 -0.073 3.887 3.960 0.000 0.000 0.197 473 G HA3 -0.073 3.887 3.960 0.000 0.000 0.197 473 G C 0.061 174.687 174.900 -0.457 0.000 0.997 473 G CA 0.231 44.926 45.100 -0.676 0.000 0.658 473 G HN 0.984 nan 8.290 nan 0.000 0.513 474 S N -1.418 114.132 115.700 -0.250 0.000 2.513 474 S HA 0.535 5.005 4.470 0.000 0.000 0.299 474 S C 1.138 175.626 174.600 -0.186 0.000 1.087 474 S CA 0.135 58.273 58.200 -0.102 0.000 1.012 474 S CB 1.236 64.362 63.200 -0.123 0.000 1.044 474 S HN 0.607 nan 8.310 nan 0.000 0.485 475 c N 3.257 121.702 118.600 -0.257 0.000 2.576 475 c HA 0.281 4.851 4.570 0.000 0.000 0.267 475 c C 1.191 174.767 174.090 -0.858 0.000 1.364 475 c CA -0.113 55.792 56.329 -0.707 0.000 1.723 475 c CB -1.770 40.515 42.510 -0.375 0.000 1.778 475 c HN 0.737 nan 8.230 nan 0.000 0.572 476 K N 1.145 121.244 120.400 -0.502 0.000 2.150 476 K HA 0.154 4.474 4.320 0.000 0.000 0.261 476 K C 0.087 176.557 176.600 -0.216 0.000 1.127 476 K CA -0.295 55.836 56.287 -0.259 0.000 0.989 476 K CB -0.141 32.298 32.500 -0.101 0.000 1.475 476 K HN 0.276 nan 8.250 nan 0.000 0.391 477 F N 1.390 121.402 119.950 0.104 0.000 2.512 477 F HA -0.086 4.441 4.527 0.000 0.000 0.296 477 F C 1.743 177.678 175.800 0.226 0.000 1.110 477 F CA 0.491 58.569 58.000 0.131 0.000 1.446 477 F CB -0.005 39.039 39.000 0.072 0.000 1.092 477 F HN 0.575 nan 8.300 nan 0.000 0.554 478 D N -0.006 120.598 120.400 0.340 0.000 2.378 478 D HA -0.043 4.598 4.640 0.000 0.000 0.227 478 D C 1.821 178.250 176.300 0.216 0.000 1.012 478 D CA 0.919 55.094 54.000 0.292 0.000 0.905 478 D CB -0.229 40.705 40.800 0.222 0.000 0.895 478 D HN 0.322 nan 8.370 nan 0.000 0.532 479 A N 0.281 123.211 122.820 0.183 0.000 1.911 479 A HA 0.089 4.409 4.320 0.000 0.000 0.212 479 A C 1.825 179.472 177.584 0.105 0.000 1.189 479 A CA 0.071 52.173 52.037 0.108 0.000 0.639 479 A CB -0.729 18.305 19.000 0.056 0.000 0.839 479 A HN 0.167 nan 8.150 nan 0.000 0.449 480 F N -0.025 119.919 119.950 -0.009 0.000 2.022 480 F HA 0.109 4.636 4.527 0.000 0.000 0.293 480 F C 0.222 175.915 175.800 -0.179 0.000 1.142 480 F CA 1.077 58.975 58.000 -0.170 0.000 1.177 480 F CB -0.204 38.627 39.000 -0.282 0.000 0.982 480 F HN 0.095 nan 8.300 nan 0.000 0.473 481 F N 1.370 121.615 119.950 0.492 0.000 2.375 481 F HA 0.219 4.746 4.527 0.000 0.000 0.362 481 F C 0.487 176.420 175.800 0.221 0.000 1.129 481 F CA -0.977 57.227 58.000 0.341 0.000 1.154 481 F CB 0.399 39.658 39.000 0.432 0.000 1.205 481 F HN -0.130 nan 8.300 nan 0.000 0.513 482 S N 5.787 121.667 115.700 0.299 0.000 2.455 482 S HA 0.432 4.902 4.470 0.000 0.000 0.278 482 S C -0.141 174.581 174.600 0.203 0.000 1.216 482 S CA -0.815 57.504 58.200 0.199 0.000 1.055 482 S CB 0.306 63.576 63.200 0.116 0.000 0.939 482 S HN 0.733 nan 8.310 nan 0.000 0.494 483 R N 0.684 121.302 120.500 0.196 0.000 1.449 483 R HA -0.096 4.244 4.340 0.000 0.000 0.409 483 R C -0.572 175.836 176.300 0.179 0.000 1.293 483 R CA 0.814 57.013 56.100 0.165 0.000 1.031 483 R CB -2.341 28.031 30.300 0.119 0.000 3.144 483 R HN 1.189 nan 8.270 nan 0.000 0.495 484 S N 0.161 115.977 115.700 0.193 0.000 2.643 484 S HA 0.638 5.108 4.470 0.000 0.000 0.270 484 S C -0.928 173.788 174.600 0.193 0.000 1.166 484 S CA -0.587 57.722 58.200 0.182 0.000 0.815 484 S CB 2.805 66.169 63.200 0.274 0.000 1.139 484 S HN 0.857 nan 8.310 nan 0.000 0.472 485 c N 1.735 120.443 118.600 0.180 0.000 2.356 485 c HA 0.858 5.428 4.570 0.000 0.000 0.324 485 c C -0.128 174.097 174.090 0.225 0.000 1.167 485 c CA 0.335 56.779 56.329 0.192 0.000 1.420 485 c CB -0.593 42.043 42.510 0.210 0.000 2.036 485 c HN 1.250 nan 8.230 nan 0.000 0.435 486 A N 7.725 130.667 122.820 0.203 0.000 2.409 486 A HA 0.710 5.030 4.320 0.000 0.000 0.300 486 A C -2.885 174.685 177.584 -0.023 0.000 1.273 486 A CA -1.195 50.903 52.037 0.102 0.000 0.774 486 A CB 0.574 19.550 19.000 -0.038 0.000 1.144 486 A HN 0.677 nan 8.150 nan 0.000 0.472 487 P HA 0.279 nan 4.420 nan 0.000 0.264 487 P C 1.180 178.461 177.300 -0.032 0.000 1.193 487 P CA 2.106 65.238 63.100 0.054 0.000 0.763 487 P CB 0.863 32.682 31.700 0.198 0.000 0.810 488 G N 1.431 110.224 108.800 -0.011 0.000 2.218 488 G HA2 -0.201 3.759 3.960 0.000 0.000 0.216 488 G HA3 -0.201 3.759 3.960 0.000 0.000 0.216 488 G C 0.590 175.450 174.900 -0.065 0.000 0.994 488 G CA -0.051 45.024 45.100 -0.041 0.000 0.637 488 G HN 0.537 nan 8.290 nan 0.000 0.505 489 S N 0.004 115.662 115.700 -0.070 0.000 2.625 489 S HA 0.470 4.941 4.470 0.000 0.000 0.262 489 S C 0.012 174.633 174.600 0.036 0.000 1.223 489 S CA 0.163 58.355 58.200 -0.012 0.000 0.993 489 S CB 0.912 64.129 63.200 0.029 0.000 1.051 489 S HN 0.452 nan 8.310 nan 0.000 0.562 490 D N 0.829 121.270 120.400 0.069 0.000 2.325 490 D HA 0.296 4.936 4.640 0.000 0.000 0.251 490 D C -1.793 174.547 176.300 0.066 0.000 1.196 490 D CA -1.925 52.114 54.000 0.064 0.000 0.866 490 D CB 1.027 41.870 40.800 0.072 0.000 1.101 490 D HN -0.035 nan 8.370 nan 0.000 0.476 491 P HA -0.164 nan 4.420 nan 0.000 0.216 491 P C 0.418 177.751 177.300 0.056 0.000 1.154 491 P CA 1.078 64.208 63.100 0.050 0.000 0.865 491 P CB 0.219 31.939 31.700 0.035 0.000 0.789 492 D N -1.130 119.302 120.400 0.053 0.000 2.317 492 D HA -0.029 4.611 4.640 0.000 0.000 0.211 492 D C 1.010 177.350 176.300 0.066 0.000 0.966 492 D CA 0.705 54.737 54.000 0.053 0.000 0.876 492 D CB -0.353 40.473 40.800 0.044 0.000 0.927 492 D HN 0.293 nan 8.370 nan 0.000 0.519 493 S N 0.334 116.083 115.700 0.081 0.000 2.652 493 S HA 0.283 4.753 4.470 0.000 0.000 0.270 493 S C -1.980 172.691 174.600 0.118 0.000 1.243 493 S CA -1.125 57.136 58.200 0.101 0.000 0.999 493 S CB 2.007 65.278 63.200 0.119 0.000 0.973 493 S HN -0.278 nan 8.310 nan 0.000 0.544 494 P HA 0.061 nan 4.420 nan 0.000 0.225 494 P C 1.035 178.449 177.300 0.189 0.000 1.148 494 P CA 0.699 63.891 63.100 0.153 0.000 0.779 494 P CB -0.103 31.694 31.700 0.163 0.000 0.780 495 L N -2.172 119.178 121.223 0.212 0.000 2.362 495 L HA -0.103 4.237 4.340 0.000 0.000 0.219 495 L C 0.803 177.788 176.870 0.192 0.000 1.134 495 L CA 0.844 55.832 54.840 0.247 0.000 0.807 495 L CB -0.426 41.790 42.059 0.262 0.000 0.927 495 L HN 0.024 nan 8.230 nan 0.000 0.447 496 c N -0.748 117.942 118.600 0.150 0.000 2.751 496 c HA 0.492 5.062 4.570 0.000 0.000 0.248 496 c C 1.766 175.924 174.090 0.114 0.000 1.710 496 c CA -0.392 56.011 56.329 0.124 0.000 1.676 496 c CB -0.505 42.061 42.510 0.094 0.000 3.106 496 c HN 0.464 nan 8.230 nan 0.000 0.502 497 A N 0.593 123.490 122.820 0.128 0.000 1.887 497 A HA 0.198 4.518 4.320 0.000 0.000 0.210 497 A C 1.702 179.357 177.584 0.117 0.000 1.221 497 A CA 0.826 52.930 52.037 0.111 0.000 0.635 497 A CB -0.259 18.808 19.000 0.112 0.000 0.881 497 A HN 0.540 nan 8.150 nan 0.000 0.456 498 L N 0.377 121.685 121.223 0.141 0.000 2.552 498 L HA -0.025 4.315 4.340 0.000 0.000 0.227 498 L C 0.242 177.277 176.870 0.275 0.000 1.146 498 L CA -0.490 54.458 54.840 0.179 0.000 0.858 498 L CB -0.769 41.371 42.059 0.135 0.000 0.969 498 L HN 0.274 nan 8.230 nan 0.000 0.451 499 c N 0.108 118.831 118.600 0.206 0.000 2.634 499 c HA 0.062 4.632 4.570 0.000 0.000 0.418 499 c C 2.106 176.184 174.090 -0.020 0.000 1.373 499 c CA -0.612 55.805 56.329 0.147 0.000 1.756 499 c CB 0.894 43.471 42.510 0.111 0.000 2.589 499 c HN 0.172 nan 8.230 nan 0.000 0.602 500 V N 3.379 123.133 119.914 -0.266 0.000 2.284 500 V HA 0.402 4.522 4.120 0.000 0.000 0.236 500 V C 1.390 177.397 176.094 -0.146 0.000 1.044 500 V CA 2.086 64.215 62.300 -0.284 0.000 1.019 500 V CB -1.178 30.319 31.823 -0.544 0.000 0.657 500 V HN 1.337 nan 8.190 nan 0.000 0.465 501 G N -1.929 106.782 108.800 -0.149 0.000 2.316 501 G HA2 0.365 4.326 3.960 0.000 0.000 0.349 501 G HA3 0.365 4.326 3.960 0.000 0.000 0.349 501 G C -0.175 174.682 174.900 -0.071 0.000 1.274 501 G CA -0.269 44.799 45.100 -0.054 0.000 1.018 501 G HN 0.800 nan 8.290 nan 0.000 0.486 502 G N -1.177 107.608 108.800 -0.025 0.000 3.039 502 G HA2 0.494 4.454 3.960 0.000 0.000 0.159 502 G HA3 0.494 4.454 3.960 0.000 0.000 0.159 502 G C 0.846 175.726 174.900 -0.035 0.000 1.284 502 G CA 0.698 45.741 45.100 -0.095 0.000 0.996 502 G HN 0.744 nan 8.290 nan 0.000 0.592 503 N N 0.385 119.064 118.700 -0.035 0.000 2.244 503 N HA 0.033 4.774 4.740 0.000 0.000 0.183 503 N C 0.301 175.837 175.510 0.043 0.000 1.016 503 N CA 1.251 54.303 53.050 0.004 0.000 0.866 503 N CB -0.111 38.375 38.487 -0.002 0.000 0.980 503 N HN 0.636 nan 8.380 nan 0.000 0.430 504 N N -1.245 117.517 118.700 0.104 0.000 2.647 504 N HA 0.427 5.167 4.740 0.000 0.000 0.266 504 N C -3.001 172.560 175.510 0.086 0.000 1.373 504 N CA -1.674 51.425 53.050 0.081 0.000 0.807 504 N CB 1.055 39.582 38.487 0.067 0.000 1.513 504 N HN -0.235 nan 8.380 nan 0.000 0.505 505 P HA 0.139 nan 4.420 nan 0.000 0.272 505 P C 0.217 177.491 177.300 -0.043 0.000 1.243 505 P CA 0.883 63.988 63.100 0.008 0.000 0.803 505 P CB 0.252 31.949 31.700 -0.004 0.000 0.974 506 A N -1.240 121.544 122.820 -0.062 0.000 3.907 506 A HA -0.202 4.118 4.320 0.000 0.000 0.257 506 A C 1.486 178.962 177.584 -0.180 0.000 0.945 506 A CA 1.244 53.198 52.037 -0.138 0.000 1.394 506 A CB -2.869 16.004 19.000 -0.212 0.000 1.011 506 A HN 0.738 nan 8.150 nan 0.000 0.829 507 H N -1.766 117.293 119.070 -0.018 0.000 2.551 507 H HA 0.203 4.759 4.556 0.000 0.000 0.271 507 H C 1.691 177.007 175.328 -0.019 0.000 0.984 507 H CA 0.924 56.957 56.048 -0.025 0.000 1.164 507 H CB 0.152 29.893 29.762 -0.035 0.000 1.437 507 H HN 0.620 nan 8.280 nan 0.000 0.550 508 M N 0.044 119.691 119.600 0.078 0.000 2.124 508 M HA -0.203 4.277 4.480 0.000 0.000 0.253 508 M C 1.469 177.802 176.300 0.055 0.000 1.077 508 M CA 1.623 56.953 55.300 0.049 0.000 1.085 508 M CB -0.341 32.277 32.600 0.031 0.000 1.320 508 M HN 0.255 nan 8.290 nan 0.000 0.404 509 c N 0.236 118.872 118.600 0.060 0.000 3.061 509 c HA 0.715 5.285 4.570 0.000 0.000 0.249 509 c C 0.469 174.602 174.090 0.073 0.000 2.060 509 c CA -0.874 55.497 56.329 0.070 0.000 1.649 509 c CB -1.857 40.689 42.510 0.060 0.000 3.268 509 c HN 0.585 nan 8.230 nan 0.000 0.457 510 A N 0.820 123.691 122.820 0.085 0.000 2.498 510 A HA 0.494 4.815 4.320 0.000 0.000 0.239 510 A C 1.075 178.708 177.584 0.080 0.000 1.068 510 A CA 0.757 52.840 52.037 0.077 0.000 0.766 510 A CB 0.315 19.402 19.000 0.146 0.000 1.003 510 A HN 1.246 nan 8.150 nan 0.000 0.497 511 A N 3.217 126.072 122.820 0.059 0.000 2.728 511 A HA 0.341 4.661 4.320 0.000 0.000 0.258 511 A C 0.513 178.093 177.584 -0.008 0.000 1.454 511 A CA 0.110 52.212 52.037 0.107 0.000 1.146 511 A CB -1.176 17.869 19.000 0.074 0.000 0.985 511 A HN 0.964 nan 8.150 nan 0.000 0.603 512 N N -1.136 117.387 118.700 -0.295 0.000 2.732 512 N HA 0.029 4.769 4.740 0.000 0.000 0.259 512 N C -0.175 174.763 175.510 -0.954 0.000 1.402 512 N CA -0.595 52.099 53.050 -0.592 0.000 0.829 512 N CB 0.037 38.392 38.487 -0.221 0.000 1.495 512 N HN 0.075 nan 8.380 nan 0.000 0.511 513 N N -0.708 117.598 118.700 -0.657 0.000 2.651 513 N HA -0.107 4.634 4.740 0.000 0.000 0.193 513 N C 0.630 176.010 175.510 -0.218 0.000 1.149 513 N CA 0.570 53.422 53.050 -0.331 0.000 0.933 513 N CB -0.331 38.086 38.487 -0.117 0.000 0.974 513 N HN 0.621 nan 8.380 nan 0.000 0.448 514 A N 0.234 122.889 122.820 -0.275 0.000 2.411 514 A HA 0.119 4.439 4.320 0.000 0.000 0.251 514 A C 0.388 177.819 177.584 -0.256 0.000 1.317 514 A CA -0.251 51.575 52.037 -0.352 0.000 0.904 514 A CB -0.305 18.269 19.000 -0.709 0.000 0.993 514 A HN 0.369 nan 8.150 nan 0.000 0.504 515 E N -1.419 118.704 120.200 -0.128 0.000 2.248 515 E HA 0.536 4.886 4.350 0.000 0.000 0.267 515 E C 1.080 177.651 176.600 -0.049 0.000 0.877 515 E CA -0.033 56.338 56.400 -0.049 0.000 0.759 515 E CB 1.156 30.889 29.700 0.055 0.000 1.182 515 E HN 0.011 nan 8.360 nan 0.000 0.418 516 G N 2.673 111.375 108.800 -0.162 0.000 2.479 516 G HA2 -0.209 3.752 3.960 0.000 0.000 0.220 516 G HA3 -0.209 3.752 3.960 0.000 0.000 0.220 516 G C 0.192 174.983 174.900 -0.181 0.000 1.115 516 G CA 0.744 45.685 45.100 -0.264 0.000 0.757 516 G HN 0.526 nan 8.290 nan 0.000 0.560 517 Y N -0.660 119.615 120.300 -0.042 0.000 2.720 517 Y HA 0.353 4.903 4.550 0.000 0.000 0.268 517 Y C 0.254 176.141 175.900 -0.022 0.000 1.142 517 Y CA -2.032 56.023 58.100 -0.076 0.000 1.193 517 Y CB -0.728 37.686 38.460 -0.076 0.000 1.176 517 Y HN 0.285 nan 8.280 nan 0.000 0.542 518 H N 0.152 119.269 119.070 0.078 0.000 2.502 518 H HA 0.566 5.122 4.556 0.000 0.000 0.327 518 H C 0.753 176.111 175.328 0.051 0.000 1.099 518 H CA 0.767 56.849 56.048 0.058 0.000 1.323 518 H CB 0.659 30.439 29.762 0.030 0.000 1.450 518 H HN 0.522 nan 8.280 nan 0.000 0.502 519 G N 2.114 110.730 108.800 -0.308 0.000 2.728 519 G HA2 -0.247 3.713 3.960 0.000 0.000 0.294 519 G HA3 -0.247 3.713 3.960 0.000 0.000 0.294 519 G C 0.710 175.593 174.900 -0.028 0.000 1.342 519 G CA -0.110 44.946 45.100 -0.074 0.000 0.866 519 G HN 0.608 nan 8.290 nan 0.000 0.534 520 S N -0.640 115.069 115.700 0.015 0.000 2.406 520 S HA -0.028 4.442 4.470 0.000 0.000 0.228 520 S C 2.601 177.207 174.600 0.010 0.000 1.020 520 S CA 1.805 60.011 58.200 0.010 0.000 0.965 520 S CB -0.211 63.003 63.200 0.023 0.000 0.798 520 S HN 1.103 nan 8.310 nan 0.000 0.488 521 S N 1.125 116.859 115.700 0.058 0.000 2.356 521 S HA -0.057 4.413 4.470 0.000 0.000 0.223 521 S C 2.054 176.613 174.600 -0.068 0.000 1.032 521 S CA 1.486 59.752 58.200 0.109 0.000 1.005 521 S CB -0.714 62.603 63.200 0.195 0.000 0.867 521 S HN 0.607 nan 8.310 nan 0.000 0.449 522 G N 0.467 109.236 108.800 -0.052 0.000 2.403 522 G HA2 0.047 4.007 3.960 0.000 0.000 0.216 522 G HA3 0.047 4.007 3.960 0.000 0.000 0.216 522 G C 1.616 176.429 174.900 -0.146 0.000 1.154 522 G CA 0.788 45.843 45.100 -0.074 0.000 0.784 522 G HN 0.642 nan 8.290 nan 0.000 0.538 523 A N 0.169 122.913 122.820 -0.127 0.000 2.024 523 A HA 0.068 4.388 4.320 0.000 0.000 0.220 523 A C 2.281 179.702 177.584 -0.271 0.000 1.164 523 A CA 1.544 53.472 52.037 -0.180 0.000 0.643 523 A CB -0.261 18.679 19.000 -0.101 0.000 0.806 523 A HN 0.401 nan 8.150 nan 0.000 0.451 524 L N -0.685 120.381 121.223 -0.261 0.000 2.162 524 L HA 0.082 4.422 4.340 0.000 0.000 0.205 524 L C 2.374 179.032 176.870 -0.354 0.000 1.086 524 L CA 1.795 56.484 54.840 -0.251 0.000 0.778 524 L CB -0.535 41.456 42.059 -0.112 0.000 0.928 524 L HN 0.448 nan 8.230 nan 0.000 0.446 525 R N -1.019 119.033 120.500 -0.747 0.000 2.091 525 R HA -0.244 4.096 4.340 0.000 0.000 0.238 525 R C 2.568 178.552 176.300 -0.527 0.000 1.136 525 R CA 1.964 57.522 56.100 -0.903 0.000 0.959 525 R CB -1.023 28.566 30.300 -1.184 0.000 0.856 525 R HN 0.620 nan 8.270 nan 0.000 0.437 526 c N 0.681 118.715 118.600 -0.944 0.000 2.398 526 c HA -0.135 4.435 4.570 0.000 0.000 0.276 526 c C 2.622 176.363 174.090 -0.582 0.000 1.222 526 c CA 1.055 56.509 56.329 -1.458 0.000 1.746 526 c CB -1.187 40.419 42.510 -1.507 0.000 2.039 526 c HN 0.668 nan 8.230 nan 0.000 0.470 527 L N 0.934 121.936 121.223 -0.367 0.000 2.083 527 L HA -0.031 4.309 4.340 0.000 0.000 0.209 527 L C 2.510 179.362 176.870 -0.029 0.000 1.083 527 L CA 2.002 56.743 54.840 -0.165 0.000 0.752 527 L CB -0.731 41.269 42.059 -0.098 0.000 0.899 527 L HN 0.298 nan 8.230 nan 0.000 0.433 528 V N 0.559 120.496 119.914 0.039 0.000 2.392 528 V HA -0.270 3.851 4.120 0.000 0.000 0.249 528 V C 2.277 178.422 176.094 0.084 0.000 1.059 528 V CA 2.222 64.616 62.300 0.157 0.000 1.051 528 V CB -0.757 31.246 31.823 0.299 0.000 0.658 528 V HN 0.783 nan 8.190 nan 0.000 0.455 529 E N -1.738 118.477 120.200 0.026 0.000 2.508 529 E HA 0.125 4.475 4.350 0.000 0.000 0.217 529 E C 1.551 178.170 176.600 0.031 0.000 0.896 529 E CA -0.059 56.373 56.400 0.053 0.000 1.118 529 E CB 0.350 30.119 29.700 0.115 0.000 1.133 529 E HN 0.446 nan 8.360 nan 0.000 0.526 530 K N 0.826 121.206 120.400 -0.034 0.000 2.625 530 K HA 0.213 4.533 4.320 0.000 0.000 0.202 530 K C 1.038 177.612 176.600 -0.044 0.000 1.412 530 K CA 0.409 56.687 56.287 -0.015 0.000 0.989 530 K CB 0.735 33.251 32.500 0.027 0.000 1.682 530 K HN 0.046 nan 8.250 nan 0.000 0.496 531 G N 0.877 109.608 108.800 -0.115 0.000 2.562 531 G HA2 0.073 4.033 3.960 0.000 0.000 0.275 531 G HA3 0.073 4.033 3.960 0.000 0.000 0.275 531 G C -0.228 174.617 174.900 -0.092 0.000 1.196 531 G CA -0.225 44.808 45.100 -0.112 0.000 0.908 531 G HN 0.108 nan 8.290 nan 0.000 0.524 532 D N -1.284 119.065 120.400 -0.084 0.000 2.392 532 D HA 0.107 4.747 4.640 0.000 0.000 0.206 532 D C 0.539 176.784 176.300 -0.092 0.000 1.046 532 D CA 0.575 54.544 54.000 -0.052 0.000 0.865 532 D CB 1.184 41.985 40.800 0.001 0.000 0.969 532 D HN 0.096 nan 8.370 nan 0.000 0.509 533 V N 0.267 120.055 119.914 -0.210 0.000 3.078 533 V HA 0.813 4.933 4.120 0.000 0.000 0.311 533 V C -0.785 174.959 176.094 -0.583 0.000 1.138 533 V CA -1.105 60.987 62.300 -0.347 0.000 1.007 533 V CB 2.247 33.854 31.823 -0.361 0.000 1.045 533 V HN 0.088 nan 8.190 nan 0.000 0.432 534 A N 1.831 124.194 122.820 -0.763 0.000 2.549 534 A HA 0.935 5.255 4.320 0.000 0.000 0.297 534 A C -1.888 175.120 177.584 -0.960 0.000 1.061 534 A CA -0.368 51.209 52.037 -0.767 0.000 0.690 534 A CB 1.565 20.330 19.000 -0.391 0.000 1.287 534 A HN 0.619 nan 8.150 nan 0.000 0.402 535 F N 1.997 121.880 119.950 -0.112 0.000 2.496 535 F HA 0.708 5.235 4.527 0.000 0.000 0.341 535 F C 0.345 176.156 175.800 0.018 0.000 1.134 535 F CA -0.390 57.605 58.000 -0.009 0.000 0.968 535 F CB 1.743 40.778 39.000 0.057 0.000 1.205 535 F HN 0.748 nan 8.300 nan 0.000 0.436 536 M N 1.351 121.054 119.600 0.172 0.000 3.079 536 M HA 0.608 5.088 4.480 0.000 0.000 0.277 536 M C -1.201 175.184 176.300 0.141 0.000 1.317 536 M CA -1.129 54.243 55.300 0.120 0.000 0.793 536 M CB 2.660 35.283 32.600 0.037 0.000 1.690 536 M HN 0.407 nan 8.290 nan 0.000 0.451 537 K N -0.479 119.989 120.400 0.114 0.000 2.520 537 K HA 0.385 4.705 4.320 0.000 0.000 0.256 537 K C -0.408 176.290 176.600 0.164 0.000 1.033 537 K CA -0.604 55.778 56.287 0.158 0.000 1.007 537 K CB 0.293 32.809 32.500 0.027 0.000 1.330 537 K HN 0.791 nan 8.250 nan 0.000 0.507 538 H N 1.379 120.509 119.070 0.100 0.000 3.199 538 H HA -0.071 4.485 4.556 0.000 0.000 0.267 538 H C -1.842 173.502 175.328 0.027 0.000 0.848 538 H CA -0.681 55.416 56.048 0.081 0.000 1.426 538 H CB -0.308 29.450 29.762 -0.006 0.000 1.350 538 H HN 0.384 nan 8.280 nan 0.000 0.527 539 P HA -0.213 nan 4.420 nan 0.000 0.035 539 P C 0.292 177.599 177.300 0.012 0.000 0.507 539 P CA 1.515 64.654 63.100 0.064 0.000 1.047 539 P CB -0.352 31.367 31.700 0.032 0.000 1.842 540 T N -3.353 111.207 114.554 0.011 0.000 3.069 540 T HA 0.040 4.390 4.350 0.000 0.000 0.252 540 T C 1.375 176.063 174.700 -0.019 0.000 1.053 540 T CA 0.269 62.368 62.100 -0.002 0.000 0.964 540 T CB -0.095 68.776 68.868 0.005 0.000 1.005 540 T HN 0.191 nan 8.240 nan 0.000 0.532 541 V N 1.268 121.153 119.914 -0.049 0.000 2.548 541 V HA 0.080 4.201 4.120 0.000 0.000 0.249 541 V C 2.053 178.118 176.094 -0.048 0.000 1.055 541 V CA 1.177 63.412 62.300 -0.108 0.000 1.065 541 V CB -0.333 31.391 31.823 -0.165 0.000 0.681 541 V HN 0.485 nan 8.190 nan 0.000 0.462 542 L N 0.157 121.364 121.223 -0.026 0.000 2.465 542 L HA -0.012 4.328 4.340 0.000 0.000 0.224 542 L C 2.205 179.071 176.870 -0.007 0.000 1.145 542 L CA 1.647 56.480 54.840 -0.012 0.000 0.834 542 L CB -0.613 41.416 42.059 -0.050 0.000 0.944 542 L HN 0.412 nan 8.230 nan 0.000 0.451 543 Q N -1.003 118.794 119.800 -0.006 0.000 2.451 543 Q HA 0.059 4.399 4.340 0.000 0.000 0.206 543 Q C 0.579 176.581 176.000 0.004 0.000 0.947 543 Q CA 0.443 56.249 55.803 0.005 0.000 0.937 543 Q CB 0.238 28.988 28.738 0.020 0.000 1.025 543 Q HN 0.576 nan 8.270 nan 0.000 0.511 544 N N 0.000 118.694 118.700 -0.010 0.000 2.118 544 N HA 0.028 4.769 4.740 0.000 0.000 0.226 544 N C -0.231 175.209 175.510 -0.117 0.000 1.305 544 N CA 0.327 53.342 53.050 -0.059 0.000 0.890 544 N CB 1.450 39.965 38.487 0.046 0.000 1.118 544 N HN 0.130 nan 8.380 nan 0.000 0.511 545 T N -1.917 112.622 114.554 -0.025 0.000 2.932 545 T HA 0.364 4.715 4.350 0.000 0.000 0.289 545 T C -0.199 174.523 174.700 0.036 0.000 1.039 545 T CA -0.323 61.799 62.100 0.037 0.000 1.024 545 T CB 2.268 71.247 68.868 0.186 0.000 1.090 545 T HN -0.036 nan 8.240 nan 0.000 0.496 546 D N 0.358 120.777 120.400 0.033 0.000 2.775 546 D HA -0.161 4.479 4.640 0.000 0.000 0.235 546 D C 1.143 177.439 176.300 -0.007 0.000 1.120 546 D CA 1.646 55.658 54.000 0.021 0.000 0.708 546 D CB -1.597 39.241 40.800 0.063 0.000 1.084 546 D HN 1.638 nan 8.370 nan 0.000 0.434 547 G N -0.443 108.334 108.800 -0.038 0.000 2.176 547 G HA2 -0.424 3.536 3.960 0.000 0.000 0.253 547 G HA3 -0.424 3.536 3.960 0.000 0.000 0.253 547 G C 1.163 176.034 174.900 -0.047 0.000 0.979 547 G CA 1.020 46.093 45.100 -0.046 0.000 0.641 547 G HN 0.409 nan 8.290 nan 0.000 0.530 548 K N 0.269 120.641 120.400 -0.047 0.000 2.057 548 K HA 0.043 4.363 4.320 0.000 0.000 0.206 548 K C 1.112 177.680 176.600 -0.053 0.000 1.050 548 K CA 0.997 57.261 56.287 -0.037 0.000 0.935 548 K CB -0.045 32.440 32.500 -0.025 0.000 0.715 548 K HN 0.404 nan 8.250 nan 0.000 0.439 549 N N -0.350 118.284 118.700 -0.111 0.000 2.421 549 N HA 0.131 4.871 4.740 0.000 0.000 0.285 549 N C -2.226 173.194 175.510 -0.150 0.000 1.027 549 N CA -1.784 51.189 53.050 -0.128 0.000 0.918 549 N CB 1.596 39.956 38.487 -0.212 0.000 1.152 549 N HN -0.191 nan 8.380 nan 0.000 0.485 550 P HA -0.041 nan 4.420 nan 0.000 0.217 550 P C -0.508 176.742 177.300 -0.083 0.000 1.150 550 P CA 0.865 63.929 63.100 -0.060 0.000 0.832 550 P CB 0.240 31.934 31.700 -0.011 0.000 0.787 551 E N 0.839 120.987 120.200 -0.087 0.000 2.604 551 E HA -0.108 4.242 4.350 0.000 0.000 0.267 551 E C -1.209 175.307 176.600 -0.140 0.000 0.970 551 E CA -0.509 55.862 56.400 -0.048 0.000 0.956 551 E CB -0.087 29.668 29.700 0.092 0.000 0.939 551 E HN 0.281 nan 8.360 nan 0.000 0.465 552 P HA -0.212 nan 4.420 nan 0.000 0.217 552 P C 1.111 178.452 177.300 0.068 0.000 1.148 552 P CA 1.631 64.758 63.100 0.044 0.000 0.828 552 P CB -0.190 31.573 31.700 0.105 0.000 0.783 553 W N 0.597 121.933 121.300 0.061 0.000 2.519 553 W HA 0.261 4.921 4.660 0.000 0.000 0.266 553 W C 0.407 176.976 176.519 0.083 0.000 1.253 553 W CA 0.619 58.010 57.345 0.077 0.000 1.274 553 W CB -1.094 28.424 29.460 0.097 0.000 1.114 553 W HN -0.085 nan 8.180 nan 0.000 0.596 554 A N 1.876 124.197 122.820 -0.831 0.000 3.290 554 A HA 0.292 4.612 4.320 0.000 0.000 0.297 554 A C 1.340 178.708 177.584 -0.360 0.000 1.285 554 A CA -0.468 51.085 52.037 -0.807 0.000 1.060 554 A CB -0.012 18.138 19.000 -1.416 0.000 1.114 554 A HN -0.051 nan 8.150 nan 0.000 0.601 555 K N 0.386 120.684 120.400 -0.171 0.000 2.118 555 K HA 0.099 4.419 4.320 0.000 0.000 0.214 555 K C 1.444 178.009 176.600 -0.058 0.000 1.023 555 K CA 1.276 57.506 56.287 -0.095 0.000 0.948 555 K CB -0.379 32.093 32.500 -0.047 0.000 0.851 555 K HN 0.402 nan 8.250 nan 0.000 0.455 556 G N 2.029 110.812 108.800 -0.028 0.000 3.782 556 G HA2 0.328 4.288 3.960 0.000 0.000 0.288 556 G HA3 0.328 4.288 3.960 0.000 0.000 0.288 556 G C -0.542 174.351 174.900 -0.012 0.000 1.300 556 G CA -0.198 44.890 45.100 -0.020 0.000 1.261 556 G HN -0.055 nan 8.290 nan 0.000 0.591 557 L N 0.742 121.969 121.223 0.006 0.000 2.264 557 L HA 0.431 4.771 4.340 0.000 0.000 0.289 557 L C 0.306 177.225 176.870 0.082 0.000 1.044 557 L CA -0.153 54.727 54.840 0.068 0.000 0.807 557 L CB 1.497 43.669 42.059 0.188 0.000 1.192 557 L HN 0.037 nan 8.230 nan 0.000 0.425 558 K N 0.946 121.363 120.400 0.028 0.000 2.203 558 K HA 0.292 4.612 4.320 0.000 0.000 0.251 558 K C 0.573 177.224 176.600 0.085 0.000 0.944 558 K CA -0.775 55.509 56.287 -0.004 0.000 0.829 558 K CB 1.476 33.900 32.500 -0.127 0.000 1.125 558 K HN 0.680 nan 8.250 nan 0.000 0.430 559 H N 0.418 119.592 119.070 0.174 0.000 2.568 559 H HA -0.101 4.455 4.556 0.000 0.000 0.281 559 H C 0.985 176.413 175.328 0.167 0.000 1.028 559 H CA 1.518 57.722 56.048 0.261 0.000 1.199 559 H CB -0.049 29.804 29.762 0.152 0.000 1.352 559 H HN 0.711 nan 8.280 nan 0.000 0.605 560 E N 0.344 120.477 120.200 -0.112 0.000 2.299 560 E HA -0.101 4.249 4.350 0.000 0.000 0.193 560 E C 0.701 177.232 176.600 -0.115 0.000 0.998 560 E CA 0.651 56.998 56.400 -0.090 0.000 0.851 560 E CB 0.048 29.645 29.700 -0.173 0.000 0.795 560 E HN 0.399 nan 8.360 nan 0.000 0.492 561 D N 0.635 120.877 120.400 -0.263 0.000 2.219 561 D HA -0.037 4.603 4.640 0.000 0.000 0.205 561 D C -0.108 175.852 176.300 -0.566 0.000 0.970 561 D CA 0.842 54.538 54.000 -0.507 0.000 0.851 561 D CB -0.086 40.200 40.800 -0.857 0.000 0.943 561 D HN 0.155 nan 8.370 nan 0.000 0.488 562 F N 0.322 120.296 119.950 0.041 0.000 2.458 562 F HA 0.474 5.002 4.527 0.000 0.000 0.330 562 F C 0.530 176.360 175.800 0.050 0.000 1.082 562 F CA -0.929 57.098 58.000 0.045 0.000 0.995 562 F CB 1.496 40.532 39.000 0.060 0.000 1.170 562 F HN -0.375 nan 8.300 nan 0.000 0.478 563 E N 2.448 122.779 120.200 0.219 0.000 2.290 563 E HA 0.439 4.789 4.350 0.000 0.000 0.274 563 E C -1.318 175.346 176.600 0.107 0.000 0.889 563 E CA -0.614 55.867 56.400 0.134 0.000 0.760 563 E CB 1.791 31.542 29.700 0.084 0.000 1.206 563 E HN 0.568 nan 8.360 nan 0.000 0.419 564 L N 3.391 124.662 121.223 0.081 0.000 2.472 564 L HA 0.342 4.682 4.340 0.000 0.000 0.260 564 L C -0.008 176.891 176.870 0.049 0.000 1.209 564 L CA -0.211 54.662 54.840 0.055 0.000 0.817 564 L CB 0.406 42.486 42.059 0.035 0.000 1.106 564 L HN 0.467 nan 8.230 nan 0.000 0.479 565 L N 0.789 122.040 121.223 0.046 0.000 2.362 565 L HA 0.459 4.799 4.340 0.000 0.000 0.275 565 L C -0.859 175.996 176.870 -0.025 0.000 0.998 565 L CA -0.491 54.386 54.840 0.062 0.000 0.820 565 L CB 1.764 43.919 42.059 0.159 0.000 1.270 565 L HN 0.728 nan 8.230 nan 0.000 0.415 566 c N 2.860 121.425 118.600 -0.057 0.000 2.401 566 c HA 0.354 4.924 4.570 0.000 0.000 0.356 566 c C 1.837 175.760 174.090 -0.279 0.000 1.192 566 c CA -0.918 55.305 56.329 -0.177 0.000 2.028 566 c CB 1.124 43.548 42.510 -0.145 0.000 2.344 566 c HN 0.877 nan 8.230 nan 0.000 0.525 567 L N 1.182 122.158 121.223 -0.412 0.000 2.081 567 L HA -0.224 4.116 4.340 0.000 0.000 0.212 567 L C 2.231 178.993 176.870 -0.181 0.000 1.080 567 L CA 2.303 56.835 54.840 -0.512 0.000 0.754 567 L CB -0.726 41.122 42.059 -0.352 0.000 0.893 567 L HN 0.840 nan 8.230 nan 0.000 0.433 568 D N -1.029 119.322 120.400 -0.082 0.000 2.097 568 D HA -0.074 4.566 4.640 0.000 0.000 0.197 568 D C 1.681 178.045 176.300 0.107 0.000 0.984 568 D CA 1.478 55.491 54.000 0.021 0.000 0.826 568 D CB -0.229 40.566 40.800 -0.009 0.000 0.973 568 D HN 0.322 nan 8.370 nan 0.000 0.460 569 G N -0.995 107.868 108.800 0.105 0.000 3.611 569 G HA2 -0.108 3.852 3.960 0.000 0.000 0.217 569 G HA3 -0.108 3.852 3.960 0.000 0.000 0.217 569 G C 0.593 175.561 174.900 0.113 0.000 1.023 569 G CA 0.139 45.337 45.100 0.164 0.000 0.887 569 G HN 0.676 nan 8.290 nan 0.000 0.420 570 T N 0.142 114.731 114.554 0.059 0.000 2.663 570 T HA 0.534 4.884 4.350 0.000 0.000 0.325 570 T C 0.243 174.967 174.700 0.039 0.000 1.059 570 T CA 0.296 62.420 62.100 0.040 0.000 1.039 570 T CB 0.968 69.844 68.868 0.014 0.000 0.996 570 T HN 0.509 nan 8.240 nan 0.000 0.539 571 R N 0.720 121.240 120.500 0.034 0.000 2.599 571 R HA 0.632 4.972 4.340 0.000 0.000 0.295 571 R C -0.386 175.926 176.300 0.020 0.000 0.963 571 R CA -0.924 55.197 56.100 0.035 0.000 0.883 571 R CB 2.105 32.434 30.300 0.048 0.000 1.171 571 R HN 0.590 nan 8.270 nan 0.000 0.450 572 K N 1.968 122.377 120.400 0.015 0.000 2.444 572 K HA 0.468 4.788 4.320 0.000 0.000 0.252 572 K C -2.680 173.937 176.600 0.027 0.000 0.993 572 K CA -2.305 53.988 56.287 0.010 0.000 0.847 572 K CB 2.253 34.743 32.500 -0.015 0.000 1.340 572 K HN 0.238 nan 8.250 nan 0.000 0.446 573 P HA -0.097 nan 4.420 nan 0.000 0.267 573 P C 0.842 178.168 177.300 0.043 0.000 1.200 573 P CA -0.108 63.024 63.100 0.053 0.000 0.772 573 P CB 0.460 32.188 31.700 0.047 0.000 0.855 574 V N 0.294 120.251 119.914 0.071 0.000 2.867 574 V HA -0.186 3.935 4.120 0.000 0.000 0.260 574 V C 1.877 177.971 176.094 -0.001 0.000 1.099 574 V CA 2.273 64.605 62.300 0.053 0.000 1.122 574 V CB -1.778 30.104 31.823 0.098 0.000 0.708 574 V HN 0.601 nan 8.190 nan 0.000 0.490 575 T N -0.438 114.093 114.554 -0.039 0.000 3.014 575 T HA -0.002 4.348 4.350 0.000 0.000 0.263 575 T C 0.890 175.571 174.700 -0.032 0.000 1.078 575 T CA 0.615 62.669 62.100 -0.078 0.000 1.135 575 T CB -0.285 68.501 68.868 -0.137 0.000 0.895 575 T HN 0.584 nan 8.240 nan 0.000 0.480 576 E N 1.342 121.530 120.200 -0.019 0.000 2.079 576 E HA 0.479 4.830 4.350 0.000 0.000 0.252 576 E C 0.150 176.733 176.600 -0.028 0.000 0.992 576 E CA -0.185 56.202 56.400 -0.022 0.000 0.829 576 E CB 1.028 30.714 29.700 -0.024 0.000 1.158 576 E HN 0.432 nan 8.360 nan 0.000 0.435 577 A N 2.294 125.102 122.820 -0.021 0.000 2.288 577 A HA -0.049 4.271 4.320 0.000 0.000 0.216 577 A C 1.775 179.245 177.584 -0.190 0.000 1.199 577 A CA 0.013 52.033 52.037 -0.028 0.000 0.891 577 A CB 0.247 19.296 19.000 0.083 0.000 0.923 577 A HN 0.330 nan 8.150 nan 0.000 0.500 578 Q N 0.410 120.068 119.800 -0.236 0.000 2.224 578 Q HA -0.078 4.262 4.340 0.000 0.000 0.203 578 Q C 1.276 177.127 176.000 -0.248 0.000 0.970 578 Q CA 1.898 57.435 55.803 -0.443 0.000 0.865 578 Q CB 0.017 28.661 28.738 -0.156 0.000 0.922 578 Q HN 0.526 nan 8.270 nan 0.000 0.445 579 S N -0.900 114.698 115.700 -0.171 0.000 2.468 579 S HA 0.057 4.527 4.470 0.000 0.000 0.226 579 S C 0.678 175.127 174.600 -0.252 0.000 1.051 579 S CA 0.121 58.220 58.200 -0.169 0.000 0.943 579 S CB 0.468 63.605 63.200 -0.105 0.000 0.810 579 S HN 0.423 nan 8.310 nan 0.000 0.509 580 c N 4.254 122.729 118.600 -0.208 0.000 2.301 580 c HA 0.764 5.334 4.570 0.000 0.000 0.313 580 c C -0.532 173.459 174.090 -0.165 0.000 1.121 580 c CA -0.559 55.643 56.329 -0.211 0.000 1.507 580 c CB -1.641 40.806 42.510 -0.106 0.000 1.975 580 c HN 0.713 nan 8.230 nan 0.000 0.425 581 H N 2.045 121.018 119.070 -0.160 0.000 2.990 581 H HA 0.508 5.064 4.556 0.000 0.000 0.336 581 H C -0.200 175.038 175.328 -0.150 0.000 1.306 581 H CA -1.039 54.930 56.048 -0.131 0.000 1.118 581 H CB 0.483 30.163 29.762 -0.137 0.000 1.856 581 H HN 0.232 nan 8.280 nan 0.000 0.538 582 L N -0.129 121.184 121.223 0.150 0.000 2.102 582 L HA 0.586 4.926 4.340 0.000 0.000 0.202 582 L C 0.718 177.663 176.870 0.126 0.000 1.076 582 L CA 1.064 55.907 54.840 0.004 0.000 0.761 582 L CB -0.198 41.831 42.059 -0.050 0.000 0.921 582 L HN 0.884 nan 8.230 nan 0.000 0.444 583 A N -0.957 121.951 122.820 0.147 0.000 2.569 583 A HA 0.470 4.790 4.320 0.000 0.000 0.292 583 A C -1.349 176.139 177.584 -0.161 0.000 1.032 583 A CA -0.665 51.387 52.037 0.025 0.000 0.669 583 A CB 1.070 20.067 19.000 -0.005 0.000 1.290 583 A HN -0.036 nan 8.150 nan 0.000 0.422 584 R N 0.957 121.326 120.500 -0.218 0.000 2.229 584 R HA 0.575 4.915 4.340 0.000 0.000 0.328 584 R C -0.643 175.444 176.300 -0.356 0.000 1.009 584 R CA 0.093 55.967 56.100 -0.377 0.000 0.864 584 R CB 0.516 30.602 30.300 -0.357 0.000 1.085 584 R HN 1.285 nan 8.270 nan 0.000 0.453 585 V N 2.388 121.963 119.914 -0.563 0.000 2.815 585 V HA 0.676 4.796 4.120 0.000 0.000 0.314 585 V C -2.371 173.254 176.094 -0.782 0.000 1.064 585 V CA -2.636 59.267 62.300 -0.662 0.000 0.952 585 V CB 1.819 33.232 31.823 -0.684 0.000 1.020 585 V HN 0.641 nan 8.190 nan 0.000 0.439 586 P HA 0.140 nan 4.420 nan 0.000 0.268 586 P C -0.348 176.807 177.300 -0.242 0.000 1.204 586 P CA 0.039 62.853 63.100 -0.477 0.000 0.768 586 P CB 0.203 31.626 31.700 -0.461 0.000 0.842 587 N N 2.854 121.584 118.700 0.051 0.000 2.371 587 N HA 0.111 4.851 4.740 0.000 0.000 0.243 587 N C 0.205 176.087 175.510 0.621 0.000 1.287 587 N CA -0.909 52.464 53.050 0.538 0.000 0.911 587 N CB 0.527 39.422 38.487 0.679 0.000 1.142 587 N HN 0.291 nan 8.380 nan 0.000 0.451 588 R N -0.165 120.754 120.500 0.698 0.000 2.817 588 R HA 0.262 4.602 4.340 0.000 0.000 0.264 588 R C -0.448 176.086 176.300 0.390 0.000 1.009 588 R CA 0.118 56.520 56.100 0.504 0.000 1.133 588 R CB 0.135 30.708 30.300 0.455 0.000 1.013 588 R HN 0.726 nan 8.270 nan 0.000 0.453 589 A N 1.202 124.219 122.820 0.329 0.000 2.572 589 A HA 0.449 4.769 4.320 0.000 0.000 0.295 589 A C -0.923 176.833 177.584 0.288 0.000 1.072 589 A CA -0.782 51.364 52.037 0.180 0.000 0.691 589 A CB 1.624 20.486 19.000 -0.231 0.000 1.291 589 A HN 0.366 nan 8.150 nan 0.000 0.404 590 V N 1.423 121.420 119.914 0.139 0.000 2.546 590 V HA 0.515 4.635 4.120 0.000 0.000 0.284 590 V C -0.692 175.371 176.094 -0.051 0.000 1.050 590 V CA 0.298 62.679 62.300 0.136 0.000 0.981 590 V CB 0.524 32.446 31.823 0.164 0.000 0.990 590 V HN 0.653 nan 8.190 nan 0.000 0.474 591 F N 2.203 122.089 119.950 -0.106 0.000 2.579 591 F HA 0.802 5.329 4.527 0.000 0.000 0.324 591 F C 0.392 176.106 175.800 -0.144 0.000 1.058 591 F CA -0.167 57.771 58.000 -0.103 0.000 0.944 591 F CB 2.315 41.269 39.000 -0.077 0.000 1.245 591 F HN 0.545 nan 8.300 nan 0.000 0.477 592 S N 0.607 116.310 115.700 0.005 0.000 2.683 592 S HA 0.632 5.102 4.470 0.000 0.000 0.269 592 S C -1.173 173.404 174.600 -0.039 0.000 1.165 592 S CA -0.834 57.333 58.200 -0.054 0.000 0.840 592 S CB 1.039 64.196 63.200 -0.072 0.000 1.169 592 S HN 0.552 nan 8.310 nan 0.000 0.490 593 R N 0.883 121.339 120.500 -0.074 0.000 2.541 593 R HA 0.480 4.821 4.340 0.000 0.000 0.263 593 R C 0.956 177.262 176.300 0.011 0.000 1.112 593 R CA -0.429 55.638 56.100 -0.056 0.000 1.170 593 R CB 0.188 30.395 30.300 -0.155 0.000 1.167 593 R HN 0.574 nan 8.270 nan 0.000 0.582 594 K N 1.090 121.521 120.400 0.051 0.000 2.152 594 K HA -0.169 4.151 4.320 0.000 0.000 0.206 594 K C 0.908 177.548 176.600 0.066 0.000 1.048 594 K CA 2.138 58.461 56.287 0.060 0.000 0.933 594 K CB -0.059 32.486 32.500 0.076 0.000 0.721 594 K HN 0.713 nan 8.250 nan 0.000 0.447 595 D N -0.793 119.660 120.400 0.089 0.000 2.183 595 D HA -0.121 4.519 4.640 0.000 0.000 0.205 595 D C 0.839 177.189 176.300 0.084 0.000 0.962 595 D CA 0.711 54.764 54.000 0.087 0.000 0.849 595 D CB -0.053 40.815 40.800 0.115 0.000 0.978 595 D HN 0.009 nan 8.370 nan 0.000 0.488 596 K N 0.711 121.158 120.400 0.078 0.000 2.520 596 K HA 0.312 4.632 4.320 0.000 0.000 0.205 596 K C 1.342 178.012 176.600 0.116 0.000 1.035 596 K CA -0.023 56.341 56.287 0.128 0.000 1.188 596 K CB 0.703 33.262 32.500 0.098 0.000 0.894 596 K HN 0.190 nan 8.250 nan 0.000 0.497 597 A N 1.530 124.394 122.820 0.073 0.000 1.832 597 A HA -0.147 4.173 4.320 0.000 0.000 0.214 597 A C 1.670 179.279 177.584 0.042 0.000 1.200 597 A CA 1.435 53.491 52.037 0.031 0.000 0.610 597 A CB -0.214 18.797 19.000 0.018 0.000 0.842 597 A HN 0.209 nan 8.150 nan 0.000 0.444 598 D N -1.241 119.205 120.400 0.076 0.000 2.178 598 D HA -0.096 4.544 4.640 0.000 0.000 0.202 598 D C 1.636 178.003 176.300 0.111 0.000 0.974 598 D CA 1.040 55.089 54.000 0.081 0.000 0.841 598 D CB -0.300 40.557 40.800 0.095 0.000 0.953 598 D HN 0.407 nan 8.370 nan 0.000 0.478 599 F N 2.026 121.987 119.950 0.018 0.000 2.075 599 F HA -0.213 4.315 4.527 0.000 0.000 0.297 599 F C 2.225 178.044 175.800 0.031 0.000 1.113 599 F CA 1.043 59.059 58.000 0.027 0.000 1.218 599 F CB -0.522 38.491 39.000 0.022 0.000 0.984 599 F HN -0.243 nan 8.300 nan 0.000 0.472 600 V N 1.008 120.850 119.914 -0.121 0.000 2.407 600 V HA -0.293 3.827 4.120 0.000 0.000 0.248 600 V C 2.557 178.549 176.094 -0.170 0.000 1.055 600 V CA 2.221 64.413 62.300 -0.181 0.000 1.049 600 V CB -0.941 30.873 31.823 -0.015 0.000 0.662 600 V HN 0.334 nan 8.190 nan 0.000 0.455 601 R N 0.280 120.689 120.500 -0.152 0.000 2.073 601 R HA -0.167 4.173 4.340 0.000 0.000 0.234 601 R C 2.582 178.723 176.300 -0.266 0.000 1.134 601 R CA 1.628 57.570 56.100 -0.263 0.000 0.952 601 R CB -0.359 29.824 30.300 -0.195 0.000 0.850 601 R HN 0.357 nan 8.270 nan 0.000 0.433 602 R N 0.487 120.925 120.500 -0.104 0.000 2.096 602 R HA -0.098 4.242 4.340 0.000 0.000 0.235 602 R C 1.820 178.096 176.300 -0.040 0.000 1.127 602 R CA 1.273 57.380 56.100 0.013 0.000 0.968 602 R CB -0.088 30.226 30.300 0.022 0.000 0.861 602 R HN 0.283 nan 8.270 nan 0.000 0.440 603 I N 1.050 121.492 120.570 -0.212 0.000 2.500 603 I HA -0.183 3.987 4.170 0.000 0.000 0.252 603 I C 2.311 178.415 176.117 -0.020 0.000 1.142 603 I CA 0.806 61.991 61.300 -0.192 0.000 1.451 603 I CB -0.855 36.885 38.000 -0.433 0.000 1.093 603 I HN 0.200 nan 8.210 nan 0.000 0.430 604 L N -0.791 120.412 121.223 -0.034 0.000 2.109 604 L HA -0.161 4.179 4.340 0.000 0.000 0.207 604 L C 2.509 179.423 176.870 0.072 0.000 1.086 604 L CA 0.959 55.827 54.840 0.047 0.000 0.760 604 L CB -0.470 41.592 42.059 0.005 0.000 0.910 604 L HN 0.047 nan 8.230 nan 0.000 0.437 605 F N 0.546 120.528 119.950 0.052 0.000 2.102 605 F HA -0.216 4.311 4.527 0.000 0.000 0.298 605 F C 2.474 178.283 175.800 0.016 0.000 1.105 605 F CA 1.445 59.464 58.000 0.030 0.000 1.239 605 F CB -1.030 37.979 39.000 0.015 0.000 0.991 605 F HN 0.189 nan 8.300 nan 0.000 0.474 606 N N 0.030 118.862 118.700 0.220 0.000 2.061 606 N HA -0.207 4.534 4.740 0.000 0.000 0.193 606 N C 1.745 177.313 175.510 0.096 0.000 1.030 606 N CA 1.649 54.770 53.050 0.119 0.000 0.856 606 N CB -0.175 38.367 38.487 0.092 0.000 1.023 606 N HN 0.153 nan 8.380 nan 0.000 0.424 607 Q N -0.117 119.777 119.800 0.157 0.000 2.123 607 Q HA -0.145 4.195 4.340 0.000 0.000 0.199 607 Q C 1.941 178.013 176.000 0.120 0.000 0.966 607 Q CA 1.383 57.330 55.803 0.240 0.000 0.845 607 Q CB -0.364 28.633 28.738 0.432 0.000 0.907 607 Q HN 0.843 nan 8.270 nan 0.000 0.439 608 Q N 0.021 119.847 119.800 0.043 0.000 2.378 608 Q HA -0.084 4.256 4.340 0.000 0.000 0.205 608 Q C 1.507 177.483 176.000 -0.039 0.000 0.954 608 Q CA 0.998 56.767 55.803 -0.056 0.000 0.901 608 Q CB 0.006 28.786 28.738 0.069 0.000 0.981 608 Q HN 0.044 nan 8.270 nan 0.000 0.483 609 E N 1.321 121.504 120.200 -0.027 0.000 2.152 609 E HA -0.058 4.292 4.350 0.000 0.000 0.192 609 E C 1.567 178.054 176.600 -0.188 0.000 0.983 609 E CA 1.039 57.395 56.400 -0.074 0.000 0.818 609 E CB -0.007 29.668 29.700 -0.042 0.000 0.758 609 E HN 0.528 nan 8.360 nan 0.000 0.467 610 L N -1.603 119.422 121.223 -0.329 0.000 2.269 610 L HA 0.146 4.486 4.340 0.000 0.000 0.200 610 L C 0.932 177.273 176.870 -0.882 0.000 1.069 610 L CA 0.426 54.849 54.840 -0.694 0.000 0.804 610 L CB 0.015 41.465 42.059 -1.015 0.000 0.987 610 L HN 0.033 nan 8.230 nan 0.000 0.468 611 F N -0.334 119.567 119.950 -0.083 0.000 2.735 611 F HA 0.375 4.902 4.527 0.000 0.000 0.304 611 F C 1.447 177.044 175.800 -0.338 0.000 1.119 611 F CA -0.561 57.331 58.000 -0.181 0.000 1.280 611 F CB -0.392 38.529 39.000 -0.131 0.000 0.994 611 F HN -0.103 nan 8.300 nan 0.000 0.520 612 G N 0.515 109.222 108.800 -0.155 0.000 2.580 612 G HA2 0.082 4.042 3.960 0.000 0.000 0.225 612 G HA3 0.082 4.042 3.960 0.000 0.000 0.225 612 G C 1.087 175.976 174.900 -0.019 0.000 1.521 612 G CA -0.415 44.653 45.100 -0.054 0.000 1.068 612 G HN 0.050 nan 8.290 nan 0.000 0.564 613 R N 0.566 121.087 120.500 0.035 0.000 2.325 613 R HA -0.005 4.335 4.340 0.000 0.000 0.214 613 R C 0.893 177.115 176.300 -0.130 0.000 0.961 613 R CA 0.391 56.459 56.100 -0.053 0.000 1.086 613 R CB -0.646 29.613 30.300 -0.068 0.000 1.037 613 R HN 0.645 nan 8.270 nan 0.000 0.493 614 N N -0.856 117.755 118.700 -0.148 0.000 2.327 614 N HA 0.054 4.794 4.740 0.000 0.000 0.231 614 N C 0.758 176.086 175.510 -0.302 0.000 1.130 614 N CA -0.088 52.831 53.050 -0.218 0.000 0.845 614 N CB 0.540 38.920 38.487 -0.178 0.000 1.073 614 N HN -0.020 nan 8.380 nan 0.000 0.496 615 G N -0.587 108.053 108.800 -0.267 0.000 2.666 615 G HA2 0.388 4.348 3.960 0.000 0.000 0.207 615 G HA3 0.388 4.348 3.960 0.000 0.000 0.207 615 G C -0.353 174.291 174.900 -0.427 0.000 1.481 615 G CA -0.240 44.719 45.100 -0.235 0.000 1.071 615 G HN 0.186 nan 8.290 nan 0.000 0.572 616 F N -2.287 117.624 119.950 -0.065 0.000 1.964 616 F HA 0.334 4.861 4.527 0.000 0.000 0.248 616 F C 2.195 177.943 175.800 -0.087 0.000 1.051 616 F CA 0.419 58.384 58.000 -0.057 0.000 1.221 616 F CB 0.751 39.736 39.000 -0.026 0.000 1.497 616 F HN 0.446 nan 8.300 nan 0.000 0.653 617 E N -2.696 117.570 120.200 0.109 0.000 3.777 617 E HA 0.148 4.499 4.350 0.000 0.000 0.247 617 E C -0.177 176.186 176.600 -0.395 0.000 1.256 617 E CA 0.385 56.743 56.400 -0.070 0.000 1.786 617 E CB 1.074 30.832 29.700 0.097 0.000 1.722 617 E HN 0.218 nan 8.360 nan 0.000 0.810 618 Y N -0.546 119.805 120.300 0.085 0.000 2.861 618 Y HA 0.280 4.831 4.550 0.000 0.000 0.284 618 Y C 1.448 177.405 175.900 0.095 0.000 1.006 618 Y CA -0.137 58.006 58.100 0.071 0.000 1.245 618 Y CB 0.356 38.846 38.460 0.051 0.000 1.415 618 Y HN -0.019 nan 8.280 nan 0.000 0.586 619 M N -0.704 119.019 119.600 0.205 0.000 2.200 619 M HA -0.208 4.272 4.480 0.000 0.000 0.261 619 M C 1.663 178.088 176.300 0.209 0.000 1.074 619 M CA 1.828 57.237 55.300 0.182 0.000 1.098 619 M CB -0.365 32.336 32.600 0.169 0.000 1.268 619 M HN 0.124 nan 8.290 nan 0.000 0.432 620 M N -0.419 119.316 119.600 0.225 0.000 2.511 620 M HA 0.041 4.521 4.480 0.000 0.000 0.176 620 M C 0.065 176.604 176.300 0.398 0.000 1.027 620 M CA 1.056 56.550 55.300 0.323 0.000 1.164 620 M CB -0.545 32.212 32.600 0.261 0.000 0.783 620 M HN 0.208 nan 8.290 nan 0.000 0.608 621 F N 0.028 120.133 119.950 0.257 0.000 2.604 621 F HA 0.363 4.890 4.527 0.000 0.000 0.316 621 F C -1.538 174.224 175.800 -0.064 0.000 1.136 621 F CA -1.073 56.920 58.000 -0.010 0.000 0.989 621 F CB 1.194 39.942 39.000 -0.419 0.000 1.258 621 F HN 0.253 nan 8.300 nan 0.000 0.451 622 Q N 6.326 125.586 119.800 -0.901 0.000 2.322 622 Q HA 0.371 4.711 4.340 0.000 0.000 0.256 622 Q C 0.785 175.957 176.000 -1.379 0.000 0.960 622 Q CA -0.140 55.149 55.803 -0.855 0.000 0.934 622 Q CB 1.498 29.957 28.738 -0.465 0.000 1.200 622 Q HN 0.840 nan 8.270 nan 0.000 0.435 623 M N -0.837 118.032 119.600 -1.217 0.000 2.567 623 M HA 0.287 4.768 4.480 0.000 0.000 0.261 623 M C -0.161 175.685 176.300 -0.757 0.000 1.180 623 M CA 0.837 55.406 55.300 -1.218 0.000 1.143 623 M CB 0.427 32.125 32.600 -1.502 0.000 1.319 623 M HN 0.317 nan 8.290 nan 0.000 0.490 624 F N 1.895 121.575 119.950 -0.450 0.000 2.713 624 F HA 0.439 4.967 4.527 0.000 0.000 0.294 624 F C -0.069 175.612 175.800 -0.197 0.000 1.152 624 F CA -0.445 57.369 58.000 -0.310 0.000 1.385 624 F CB -0.239 38.554 39.000 -0.346 0.000 0.981 624 F HN 0.223 nan 8.300 nan 0.000 0.514 625 E N 0.634 120.775 120.200 -0.099 0.000 2.334 625 E HA 0.321 4.672 4.350 0.000 0.000 0.280 625 E C -0.898 175.651 176.600 -0.084 0.000 0.899 625 E CA -0.445 55.911 56.400 -0.073 0.000 0.813 625 E CB 1.072 30.703 29.700 -0.116 0.000 1.318 625 E HN 0.008 nan 8.360 nan 0.000 0.399 626 S N 2.306 118.004 115.700 -0.004 0.000 2.525 626 S HA 0.384 4.854 4.470 0.000 0.000 0.290 626 S C 1.156 175.782 174.600 0.044 0.000 1.152 626 S CA 0.016 58.228 58.200 0.020 0.000 1.072 626 S CB 1.533 64.766 63.200 0.054 0.000 1.027 626 S HN 0.608 nan 8.310 nan 0.000 0.500 627 S N 3.153 118.887 115.700 0.056 0.000 2.372 627 S HA -0.139 4.332 4.470 0.000 0.000 0.227 627 S C 1.400 176.042 174.600 0.072 0.000 1.044 627 S CA 0.981 59.224 58.200 0.071 0.000 1.050 627 S CB -1.110 62.133 63.200 0.071 0.000 0.901 627 S HN 1.158 nan 8.310 nan 0.000 0.447 628 A N 2.103 124.966 122.820 0.072 0.000 3.750 628 A HA 0.633 4.953 4.320 0.000 0.000 0.188 628 A C 0.273 177.914 177.584 0.096 0.000 1.870 628 A CA -0.071 52.018 52.037 0.085 0.000 1.748 628 A CB 0.264 19.310 19.000 0.077 0.000 1.266 628 A HN 0.239 nan 8.150 nan 0.000 0.382 629 K N 0.839 121.300 120.400 0.103 0.000 2.471 629 K HA 0.326 4.646 4.320 0.000 0.000 0.252 629 K C -1.570 175.097 176.600 0.112 0.000 0.938 629 K CA -0.395 55.959 56.287 0.112 0.000 0.796 629 K CB 1.412 33.992 32.500 0.133 0.000 1.161 629 K HN 0.550 nan 8.250 nan 0.000 0.425 630 D N 1.369 121.837 120.400 0.113 0.000 2.811 630 D HA -0.220 4.420 4.640 0.000 0.000 0.231 630 D C -0.161 176.208 176.300 0.115 0.000 1.157 630 D CA 0.764 54.840 54.000 0.127 0.000 0.716 630 D CB -1.262 39.619 40.800 0.135 0.000 1.077 630 D HN 0.401 nan 8.370 nan 0.000 0.428 631 L N 0.357 121.637 121.223 0.095 0.000 2.456 631 L HA 0.158 4.498 4.340 0.000 0.000 0.277 631 L C 2.019 178.923 176.870 0.057 0.000 1.124 631 L CA -0.187 54.698 54.840 0.076 0.000 0.880 631 L CB 0.266 42.367 42.059 0.070 0.000 1.192 631 L HN 0.195 nan 8.230 nan 0.000 0.463 632 L N 1.715 122.950 121.223 0.021 0.000 3.015 632 L HA -0.325 4.015 4.340 0.000 0.000 0.389 632 L C -0.385 176.230 176.870 -0.426 0.000 0.737 632 L CA 1.343 56.103 54.840 -0.132 0.000 3.213 632 L CB -0.946 41.028 42.059 -0.142 0.000 0.600 632 L HN 0.407 nan 8.230 nan 0.000 0.774 633 F N -0.411 119.616 119.950 0.127 0.000 2.601 633 F HA 0.466 4.994 4.527 0.000 0.000 0.309 633 F C 0.585 176.448 175.800 0.105 0.000 1.089 633 F CA -0.654 57.428 58.000 0.136 0.000 0.940 633 F CB 1.737 40.834 39.000 0.162 0.000 1.273 633 F HN -0.263 nan 8.300 nan 0.000 0.450 634 S N 1.168 117.047 115.700 0.299 0.000 2.558 634 S HA -0.012 4.459 4.470 0.000 0.000 0.288 634 S C 0.397 175.102 174.600 0.175 0.000 1.318 634 S CA -0.318 58.018 58.200 0.227 0.000 1.056 634 S CB 0.378 63.777 63.200 0.331 0.000 0.853 634 S HN 0.510 nan 8.310 nan 0.000 0.505 635 D N 1.433 121.915 120.400 0.137 0.000 2.403 635 D HA -0.058 4.582 4.640 0.000 0.000 0.227 635 D C 0.959 177.302 176.300 0.072 0.000 0.995 635 D CA 0.703 54.759 54.000 0.092 0.000 0.928 635 D CB -0.065 40.780 40.800 0.076 0.000 0.887 635 D HN 0.655 nan 8.370 nan 0.000 0.529 636 D N -1.314 119.147 120.400 0.101 0.000 2.535 636 D HA -0.003 4.638 4.640 0.000 0.000 0.229 636 D C -0.069 176.254 176.300 0.037 0.000 1.238 636 D CA -0.205 53.849 54.000 0.090 0.000 0.824 636 D CB -0.190 40.693 40.800 0.137 0.000 1.045 636 D HN -0.230 nan 8.370 nan 0.000 0.500 637 T N 0.945 115.418 114.554 -0.135 0.000 2.910 637 T HA 0.127 4.477 4.350 0.000 0.000 0.293 637 T C 1.162 175.552 174.700 -0.517 0.000 1.015 637 T CA -0.268 61.557 62.100 -0.460 0.000 1.094 637 T CB 2.370 70.868 68.868 -0.617 0.000 0.968 637 T HN -0.032 nan 8.240 nan 0.000 0.521 638 E N 0.341 120.211 120.200 -0.549 0.000 2.127 638 E HA 0.124 4.475 4.350 0.000 0.000 0.191 638 E C 1.089 177.239 176.600 -0.751 0.000 0.964 638 E CA 0.575 56.692 56.400 -0.472 0.000 0.832 638 E CB 0.180 29.709 29.700 -0.286 0.000 0.790 638 E HN 0.828 nan 8.360 nan 0.000 0.465 639 c N -1.789 116.263 118.600 -0.913 0.000 3.227 639 c HA 0.632 5.202 4.570 0.000 0.000 0.370 639 c C -1.467 172.251 174.090 -0.620 0.000 2.154 639 c CA -1.129 54.665 56.329 -0.890 0.000 1.130 639 c CB 0.386 42.722 42.510 -0.289 0.000 2.494 639 c HN 0.115 nan 8.230 nan 0.000 0.413 640 L N 2.276 123.407 121.223 -0.153 0.000 2.372 640 L HA 0.601 4.942 4.340 0.000 0.000 0.274 640 L C -0.120 176.810 176.870 0.100 0.000 0.988 640 L CA 0.150 54.981 54.840 -0.014 0.000 0.833 640 L CB 1.967 44.068 42.059 0.069 0.000 1.236 640 L HN 0.811 nan 8.230 nan 0.000 0.410 641 S N 1.511 117.256 115.700 0.074 0.000 2.617 641 S HA 0.415 4.885 4.470 0.000 0.000 0.283 641 S C -0.172 174.521 174.600 0.155 0.000 1.189 641 S CA -0.860 57.418 58.200 0.130 0.000 1.036 641 S CB 1.162 64.409 63.200 0.078 0.000 1.014 641 S HN 0.477 nan 8.310 nan 0.000 0.522 642 N N 1.268 120.091 118.700 0.204 0.000 2.479 642 N HA 0.151 4.891 4.740 0.000 0.000 0.257 642 N C 1.066 176.650 175.510 0.123 0.000 1.232 642 N CA -0.102 53.056 53.050 0.180 0.000 0.920 642 N CB 0.170 38.772 38.487 0.190 0.000 1.105 642 N HN 0.490 nan 8.380 nan 0.000 0.444 643 L N 0.786 122.067 121.223 0.097 0.000 2.156 643 L HA -0.148 4.193 4.340 0.000 0.000 0.208 643 L C 0.991 177.925 176.870 0.107 0.000 1.095 643 L CA 0.704 55.614 54.840 0.117 0.000 0.770 643 L CB -0.221 41.879 42.059 0.068 0.000 0.914 643 L HN 0.507 nan 8.230 nan 0.000 0.439 644 Q N -0.391 119.459 119.800 0.083 0.000 1.436 644 Q HA -0.304 4.036 4.340 0.000 0.000 0.307 644 Q C 1.021 177.055 176.000 0.057 0.000 0.896 644 Q CA 1.919 57.761 55.803 0.065 0.000 0.875 644 Q CB -1.426 27.346 28.738 0.057 0.000 3.286 644 Q HN 0.295 nan 8.270 nan 0.000 0.550 645 D N 1.465 121.894 120.400 0.048 0.000 2.183 645 D HA -0.029 4.612 4.640 0.000 0.000 0.203 645 D C 0.468 176.799 176.300 0.052 0.000 0.969 645 D CA 1.064 55.088 54.000 0.041 0.000 0.842 645 D CB -0.112 40.705 40.800 0.029 0.000 0.957 645 D HN 0.254 nan 8.370 nan 0.000 0.484 646 K N 1.361 121.804 120.400 0.072 0.000 2.978 646 K HA 0.015 4.336 4.320 0.000 0.000 0.261 646 K C 1.043 177.719 176.600 0.125 0.000 1.181 646 K CA 0.124 56.478 56.287 0.111 0.000 1.164 646 K CB -0.489 32.108 32.500 0.163 0.000 1.331 646 K HN 0.219 nan 8.250 nan 0.000 0.266 647 T N -3.040 111.561 114.554 0.079 0.000 2.995 647 T HA -0.076 4.274 4.350 0.000 0.000 0.269 647 T C 1.052 175.789 174.700 0.063 0.000 1.091 647 T CA 0.509 62.641 62.100 0.054 0.000 1.128 647 T CB -0.067 68.827 68.868 0.044 0.000 0.891 647 T HN 0.165 nan 8.240 nan 0.000 0.492 648 T N 0.799 115.415 114.554 0.102 0.000 2.937 648 T HA 0.436 4.786 4.350 0.000 0.000 0.283 648 T C 0.697 175.548 174.700 0.251 0.000 1.012 648 T CA -0.568 61.627 62.100 0.159 0.000 0.997 648 T CB 0.998 69.931 68.868 0.108 0.000 1.136 648 T HN 0.373 nan 8.240 nan 0.000 0.551 649 Y N 0.035 120.479 120.300 0.241 0.000 2.395 649 Y HA 0.272 4.822 4.550 0.000 0.000 0.293 649 Y C 2.112 178.203 175.900 0.320 0.000 1.123 649 Y CA 0.657 58.992 58.100 0.390 0.000 1.227 649 Y CB -0.284 38.445 38.460 0.448 0.000 1.012 649 Y HN 0.382 nan 8.280 nan 0.000 0.552 650 K N 0.580 120.629 120.400 -0.586 0.000 2.025 650 K HA -0.105 4.216 4.320 0.000 0.000 0.207 650 K C 2.092 178.613 176.600 -0.132 0.000 1.049 650 K CA 2.127 58.115 56.287 -0.499 0.000 0.933 650 K CB -0.335 31.890 32.500 -0.457 0.000 0.714 650 K HN 0.579 nan 8.250 nan 0.000 0.438 651 T N -1.974 112.556 114.554 -0.039 0.000 3.067 651 T HA -0.091 4.260 4.350 0.000 0.000 0.261 651 T C 1.671 176.395 174.700 0.040 0.000 1.110 651 T CA 0.419 62.524 62.100 0.008 0.000 1.113 651 T CB -0.215 68.670 68.868 0.027 0.000 0.917 651 T HN 0.201 nan 8.240 nan 0.000 0.499 652 Y N 1.826 122.148 120.300 0.036 0.000 2.205 652 Y HA 0.339 4.889 4.550 0.000 0.000 0.292 652 Y C 1.940 177.889 175.900 0.081 0.000 1.119 652 Y CA 0.624 58.768 58.100 0.074 0.000 1.117 652 Y CB -0.273 38.267 38.460 0.135 0.000 1.037 652 Y HN 0.080 nan 8.280 nan 0.000 0.510 653 L N 0.100 121.380 121.223 0.094 0.000 2.201 653 L HA 0.132 4.473 4.340 0.000 0.000 0.212 653 L C 1.210 178.071 176.870 -0.015 0.000 1.105 653 L CA 0.724 55.599 54.840 0.059 0.000 0.775 653 L CB -1.176 41.114 42.059 0.386 0.000 0.913 653 L HN 0.488 nan 8.230 nan 0.000 0.440 654 G N -0.938 107.857 108.800 -0.009 0.000 2.661 654 G HA2 -0.156 3.804 3.960 0.000 0.000 0.685 654 G HA3 -0.156 3.804 3.960 0.000 0.000 0.685 654 G C -2.461 172.462 174.900 0.037 0.000 1.298 654 G CA -0.443 44.648 45.100 -0.015 0.000 0.855 654 G HN -0.063 nan 8.290 nan 0.000 0.560 655 P HA -0.000 nan 4.420 nan 0.000 0.217 655 P C 1.921 179.251 177.300 0.051 0.000 1.154 655 P CA 1.657 64.775 63.100 0.030 0.000 0.841 655 P CB 0.051 31.758 31.700 0.012 0.000 0.788 656 Q N -1.316 118.512 119.800 0.047 0.000 2.002 656 Q HA -0.228 4.112 4.340 0.000 0.000 0.204 656 Q C 2.243 178.290 176.000 0.078 0.000 0.988 656 Q CA 1.655 57.488 55.803 0.050 0.000 0.843 656 Q CB -0.963 27.797 28.738 0.036 0.000 0.908 656 Q HN 0.275 nan 8.270 nan 0.000 0.420 657 Y N 0.955 121.240 120.300 -0.025 0.000 2.242 657 Y HA -0.198 4.352 4.550 0.000 0.000 0.291 657 Y C 2.069 177.993 175.900 0.039 0.000 1.137 657 Y CA 0.917 59.005 58.100 -0.020 0.000 1.181 657 Y CB -0.091 38.348 38.460 -0.034 0.000 0.989 657 Y HN 0.068 nan 8.280 nan 0.000 0.527 658 L N -0.673 120.670 121.223 0.200 0.000 2.083 658 L HA -0.168 4.172 4.340 0.000 0.000 0.209 658 L C 2.536 179.488 176.870 0.137 0.000 1.083 658 L CA 2.442 57.419 54.840 0.228 0.000 0.752 658 L CB -1.034 41.150 42.059 0.210 0.000 0.899 658 L HN 0.273 nan 8.230 nan 0.000 0.433 659 T N -1.518 113.078 114.554 0.069 0.000 2.995 659 T HA -0.113 4.237 4.350 0.000 0.000 0.269 659 T C 1.738 176.429 174.700 -0.014 0.000 1.091 659 T CA 1.128 63.255 62.100 0.046 0.000 1.128 659 T CB -0.184 68.706 68.868 0.036 0.000 0.891 659 T HN 0.302 nan 8.240 nan 0.000 0.492 660 L N 0.367 121.529 121.223 -0.101 0.000 2.179 660 L HA 0.226 4.567 4.340 0.000 0.000 0.208 660 L C 1.909 178.639 176.870 -0.233 0.000 1.096 660 L CA 1.475 56.207 54.840 -0.180 0.000 0.779 660 L CB -0.356 41.522 42.059 -0.302 0.000 0.922 660 L HN 0.179 nan 8.230 nan 0.000 0.443 661 M N -0.864 118.541 119.600 -0.326 0.000 2.595 661 M HA 0.002 4.482 4.480 0.000 0.000 0.248 661 M C 1.016 177.125 176.300 -0.319 0.000 1.119 661 M CA 0.658 55.656 55.300 -0.504 0.000 1.079 661 M CB -0.797 31.197 32.600 -1.010 0.000 1.472 661 M HN 0.260 nan 8.290 nan 0.000 0.501 662 D N 0.014 120.386 120.400 -0.046 0.000 2.262 662 D HA 0.020 4.660 4.640 0.000 0.000 0.212 662 D C 1.324 177.629 176.300 0.009 0.000 0.964 662 D CA 0.801 54.842 54.000 0.067 0.000 0.875 662 D CB -0.244 40.643 40.800 0.145 0.000 0.996 662 D HN 0.430 nan 8.370 nan 0.000 0.497 663 N N -0.597 118.108 118.700 0.007 0.000 2.494 663 N HA 0.008 4.748 4.740 0.000 0.000 0.182 663 N C 0.827 176.339 175.510 0.002 0.000 1.076 663 N CA 0.057 53.121 53.050 0.025 0.000 0.908 663 N CB 0.266 38.786 38.487 0.055 0.000 0.967 663 N HN 0.043 nan 8.380 nan 0.000 0.449 664 F N 0.625 120.443 119.950 -0.220 0.000 2.720 664 F HA 0.288 4.815 4.527 0.000 0.000 0.301 664 F C 2.105 177.723 175.800 -0.304 0.000 1.103 664 F CA -0.408 57.404 58.000 -0.312 0.000 1.291 664 F CB 0.305 39.104 39.000 -0.335 0.000 1.086 664 F HN -0.224 nan 8.300 nan 0.000 0.592 665 R N 0.760 121.080 120.500 -0.300 0.000 2.139 665 R HA -0.267 4.073 4.340 0.000 0.000 0.243 665 R C 2.235 178.339 176.300 -0.327 0.000 1.145 665 R CA 2.093 58.025 56.100 -0.280 0.000 0.976 665 R CB -0.374 29.868 30.300 -0.097 0.000 0.866 665 R HN 0.462 nan 8.270 nan 0.000 0.449 666 Q N -0.488 119.099 119.800 -0.355 0.000 2.135 666 Q HA -0.195 4.145 4.340 0.000 0.000 0.204 666 Q C 1.586 177.330 176.000 -0.425 0.000 0.981 666 Q CA 1.829 57.439 55.803 -0.322 0.000 0.856 666 Q CB 0.000 28.565 28.738 -0.289 0.000 0.902 666 Q HN 0.483 nan 8.270 nan 0.000 0.425 667 c N 0.300 118.458 118.600 -0.737 0.000 2.618 667 c HA 0.240 4.810 4.570 0.000 0.000 0.264 667 c C 0.711 174.505 174.090 -0.494 0.000 1.334 667 c CA -0.515 55.404 56.329 -0.683 0.000 1.731 667 c CB -0.684 41.271 42.510 -0.925 0.000 1.852 667 c HN 0.355 nan 8.230 nan 0.000 0.566 668 L N 1.560 122.484 121.223 -0.500 0.000 2.315 668 L HA 0.138 4.479 4.340 0.000 0.000 0.283 668 L C 0.582 177.410 176.870 -0.071 0.000 1.089 668 L CA 0.420 55.143 54.840 -0.195 0.000 0.833 668 L CB 0.684 42.631 42.059 -0.186 0.000 1.170 668 L HN 0.033 nan 8.230 nan 0.000 0.442 669 S N 1.361 117.077 115.700 0.027 0.000 2.738 669 S HA 0.063 4.533 4.470 0.000 0.000 0.227 669 S C 0.396 175.021 174.600 0.041 0.000 1.311 669 S CA -0.233 57.984 58.200 0.029 0.000 1.249 669 S CB 0.208 63.440 63.200 0.053 0.000 1.030 669 S HN 0.596 nan 8.310 nan 0.000 0.512 670 S N 1.665 117.386 115.700 0.035 0.000 2.422 670 S HA 0.145 4.615 4.470 0.000 0.000 0.283 670 S C 1.214 175.840 174.600 0.045 0.000 1.163 670 S CA -0.544 57.686 58.200 0.051 0.000 1.054 670 S CB 0.307 63.541 63.200 0.056 0.000 0.967 670 S HN 0.543 nan 8.310 nan 0.000 0.499 671 E N 4.049 124.274 120.200 0.042 0.000 2.150 671 E HA -0.126 4.224 4.350 0.000 0.000 0.193 671 E C 1.601 178.220 176.600 0.031 0.000 0.985 671 E CA 0.568 56.986 56.400 0.030 0.000 0.814 671 E CB -0.045 29.666 29.700 0.019 0.000 0.752 671 E HN 0.525 nan 8.360 nan 0.000 0.466 672 L N 1.036 122.285 121.223 0.043 0.000 1.976 672 L HA -0.158 4.183 4.340 0.000 0.000 0.209 672 L C 2.434 179.333 176.870 0.048 0.000 1.071 672 L CA 1.371 56.237 54.840 0.043 0.000 0.746 672 L CB -0.941 41.152 42.059 0.057 0.000 0.890 672 L HN 0.225 nan 8.230 nan 0.000 0.432 673 L N -0.050 121.209 121.223 0.059 0.000 2.189 673 L HA -0.222 4.118 4.340 0.000 0.000 0.214 673 L C 1.931 178.843 176.870 0.070 0.000 1.097 673 L CA 1.835 56.715 54.840 0.065 0.000 0.764 673 L CB -0.666 41.432 42.059 0.066 0.000 0.900 673 L HN 0.322 nan 8.230 nan 0.000 0.436 674 D N -0.953 119.483 120.400 0.059 0.000 2.346 674 D HA 0.088 4.728 4.640 0.000 0.000 0.206 674 D C 2.023 178.368 176.300 0.074 0.000 1.001 674 D CA 0.945 54.987 54.000 0.070 0.000 0.871 674 D CB 0.363 41.198 40.800 0.059 0.000 0.943 674 D HN 0.506 nan 8.370 nan 0.000 0.518 675 A N 0.310 123.153 122.820 0.039 0.000 1.935 675 A HA -0.074 4.246 4.320 0.000 0.000 0.214 675 A C 2.346 179.928 177.584 -0.005 0.000 1.178 675 A CA 0.583 52.623 52.037 0.006 0.000 0.640 675 A CB -0.539 18.455 19.000 -0.011 0.000 0.825 675 A HN 0.276 nan 8.150 nan 0.000 0.447 676 c N -0.287 118.323 118.600 0.018 0.000 2.446 676 c HA -0.008 4.562 4.570 0.000 0.000 0.279 676 c C 2.730 176.824 174.090 0.006 0.000 1.366 676 c CA 1.436 57.777 56.329 0.020 0.000 1.763 676 c CB -1.138 41.405 42.510 0.056 0.000 1.929 676 c HN 0.757 nan 8.230 nan 0.000 0.509 677 T N -1.989 112.592 114.554 0.047 0.000 3.107 677 T HA 0.056 4.406 4.350 0.000 0.000 0.249 677 T C 1.191 175.916 174.700 0.042 0.000 1.096 677 T CA 0.017 62.159 62.100 0.070 0.000 1.012 677 T CB -0.436 68.502 68.868 0.118 0.000 0.977 677 T HN 0.378 nan 8.240 nan 0.000 0.527 678 F N 4.262 124.111 119.950 -0.168 0.000 2.000 678 F HA -0.081 4.446 4.527 0.000 0.000 0.296 678 F C 1.157 176.912 175.800 -0.074 0.000 1.159 678 F CA 1.100 59.018 58.000 -0.137 0.000 1.183 678 F CB -0.977 37.918 39.000 -0.175 0.000 0.959 678 F HN 0.450 nan 8.300 nan 0.000 0.490 679 H N 0.620 119.635 119.070 -0.092 0.000 3.086 679 H HA 0.231 4.787 4.556 0.000 0.000 0.265 679 H C 1.017 176.301 175.328 -0.073 0.000 1.092 679 H CA -0.826 55.109 56.048 -0.187 0.000 1.487 679 H CB -0.123 29.588 29.762 -0.084 0.000 1.514 679 H HN 0.121 nan 8.280 nan 0.000 0.497 680 K N 2.422 122.859 120.400 0.062 0.000 2.107 680 K HA -0.203 4.117 4.320 0.000 0.000 0.211 680 K C 0.116 176.823 176.600 0.178 0.000 1.049 680 K CA 1.626 57.970 56.287 0.095 0.000 0.927 680 K CB -0.196 32.344 32.500 0.067 0.000 0.714 680 K HN 0.781 nan 8.250 nan 0.000 0.452 681 Y N 0.000 120.252 120.300 -0.081 0.000 2.660 681 Y HA 0.000 4.550 4.550 0.000 0.000 0.201 681 Y CA 0.000 57.980 58.100 -0.199 0.000 1.940 681 Y CB 0.000 38.330 38.460 -0.217 0.000 1.050 681 Y HN 0.000 nan 8.280 nan 0.000 0.758