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 2z5z_1_A DATA FIRST_RESID 1 DATA SEQUENCE SWEVGcGAPV PLVKcDENSP YRTITGDcNN RRSPALGAAN RALARWLPAE DATA SEQUENCE YEDGLALPFG WTQRKTRNGF RVPLAREVSN KIVGYLDEDG VLDQNRSLLF DATA SEQUENCE MQWGQIVDHD LDFAPETELG SNEHSKTQcE EYcIQGDNcF PIMFPKNDPK DATA SEQUENCE LKTQGKcMPF FRAGFVcPTP PYQSLAREQI NAVTSFLDAS LVYGSEPXLA DATA SEQUENCE SRLQNLSSPL GLMAVNQEAW DHGLAYLPFN NRKPSPcEFI NTTARVPcFL DATA SEQUENCE AGDFRASEQI LLATAHTLLL REHNRLAREL KKLNPQWDGE KLYQEARKIL DATA SEQUENCE GAFVQIITFR DYLPIVLGSE MQKWIPPYQG YNNSVDPRIS NVFTFAFRFG DATA SEQUENCE HMEVPSTVSR LDENYQPWGP EAELPLHTLF FNTWRIIKDG GIDPLVRGLL DATA SEQUENCE AKKSKLMNQD KMVTSELRNK LFQPTHKIHG FDLAAINLQR CRDHGMPGYN DATA SEQUENCE SWRGFcGLSQ PKTLKGLQTV LKNKILAKKL MDLYKTPDNI DIWIGGNAEP DATA SEQUENCE MVERGRVGPL LAcLLGRQFQ QIRDGDRFWW ENPGVFTEKQ RDSLQKMSFS DATA SEQUENCE RLIcDNTHIT KVPLHAFQAN NYPHDFVDcS AVDKLDLSPW ASREN VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.539 174.600 -0.102 0.000 1.055 1 S CA 0.000 58.185 58.200 -0.024 0.000 1.107 1 S CB 0.000 63.167 63.200 -0.055 0.000 0.593 2 W N 1.520 122.837 121.300 0.027 0.000 2.520 2 W HA 0.174 4.757 4.660 -0.128 0.000 0.272 2 W C 0.485 177.027 176.519 0.037 0.000 0.984 2 W CA -0.002 57.364 57.345 0.033 0.000 1.314 2 W CB 0.284 29.765 29.460 0.035 0.000 0.945 2 W HN 0.868 nan 8.180 nan 0.000 0.596 3 E N -0.986 119.361 120.200 0.245 0.000 4.028 3 E HA -0.216 4.057 4.350 -0.129 0.000 0.343 3 E C 1.215 177.911 176.600 0.159 0.000 0.700 3 E CA 1.167 57.665 56.400 0.164 0.000 1.288 3 E CB -2.157 27.628 29.700 0.142 0.000 1.677 3 E HN 0.193 nan 8.360 nan 0.000 0.424 4 V N -0.612 119.423 119.914 0.202 0.000 2.356 4 V HA -0.414 3.629 4.120 -0.129 0.000 0.267 4 V C 2.420 178.551 176.094 0.063 0.000 1.133 4 V CA 2.954 65.319 62.300 0.107 0.000 1.116 4 V CB -1.732 30.129 31.823 0.063 0.000 0.735 4 V HN 0.440 nan 8.190 nan 0.000 0.455 5 G N -1.446 107.396 108.800 0.070 0.000 2.459 5 G HA2 -0.325 3.557 3.960 -0.129 0.000 0.217 5 G HA3 -0.325 3.557 3.960 -0.129 0.000 0.217 5 G C 1.010 175.934 174.900 0.040 0.000 1.183 5 G CA 0.841 45.971 45.100 0.050 0.000 0.776 5 G HN 0.651 nan 8.290 nan 0.000 0.552 6 c N 2.452 121.081 118.600 0.048 0.000 2.140 6 c HA 0.314 4.807 4.570 -0.129 0.000 0.440 6 c C 1.705 175.804 174.090 0.016 0.000 1.403 6 c CA 0.276 56.623 56.329 0.031 0.000 1.487 6 c CB -1.651 40.882 42.510 0.038 0.000 2.718 6 c HN 0.433 nan 8.230 nan 0.000 0.621 7 G N 4.120 112.925 108.800 0.008 0.000 4.637 7 G HA2 0.545 4.428 3.960 -0.129 0.000 0.294 7 G HA3 0.545 4.428 3.960 -0.129 0.000 0.294 7 G C 0.411 175.307 174.900 -0.007 0.000 1.215 7 G CA 0.636 45.738 45.100 0.003 0.000 0.943 7 G HN 0.934 nan 8.290 nan 0.000 0.572 8 A N 1.223 124.030 122.820 -0.022 0.000 3.037 8 A HA 0.722 4.965 4.320 -0.129 0.000 0.192 8 A C -1.780 175.776 177.584 -0.047 0.000 2.048 8 A CA -0.859 51.158 52.037 -0.034 0.000 0.928 8 A CB -0.696 18.276 19.000 -0.047 0.000 1.895 8 A HN 0.159 nan 8.150 nan 0.000 0.777 9 P HA 0.063 nan 4.420 nan 0.000 0.172 9 P C -0.933 176.329 177.300 -0.063 0.000 0.821 9 P CA 1.361 64.415 63.100 -0.076 0.000 1.150 9 P CB -0.769 30.860 31.700 -0.119 0.000 1.263 10 V N 1.375 121.267 119.914 -0.037 0.000 3.108 10 V HA 0.608 4.650 4.120 -0.129 0.000 0.287 10 V C -2.908 173.183 176.094 -0.005 0.000 1.436 10 V CA -2.290 59.999 62.300 -0.019 0.000 1.001 10 V CB 1.754 33.573 31.823 -0.008 0.000 1.141 10 V HN -0.015 nan 8.190 nan 0.000 0.443 11 P HA 0.756 nan 4.420 nan 0.000 0.280 11 P C -0.998 176.315 177.300 0.022 0.000 1.244 11 P CA -0.263 62.846 63.100 0.014 0.000 0.784 11 P CB 1.399 33.112 31.700 0.022 0.000 0.913 12 L N 3.377 124.611 121.223 0.019 0.000 2.434 12 L HA 0.779 5.041 4.340 -0.129 0.000 0.260 12 L C -0.983 175.900 176.870 0.022 0.000 0.983 12 L CA -0.750 54.104 54.840 0.024 0.000 0.820 12 L CB 2.115 44.186 42.059 0.020 0.000 1.361 12 L HN 0.347 nan 8.230 nan 0.000 0.410 13 V N 0.009 119.939 119.914 0.026 0.000 3.112 13 V HA 0.577 4.620 4.120 -0.129 0.000 0.310 13 V C -0.822 175.287 176.094 0.025 0.000 1.364 13 V CA -1.268 61.046 62.300 0.023 0.000 1.058 13 V CB 1.632 33.469 31.823 0.023 0.000 1.079 13 V HN 0.731 nan 8.190 nan 0.000 0.463 14 K N -0.215 120.198 120.400 0.021 0.000 2.185 14 K HA 0.472 4.715 4.320 -0.129 0.000 0.271 14 K C -0.799 175.816 176.600 0.025 0.000 1.013 14 K CA -0.324 55.976 56.287 0.021 0.000 0.943 14 K CB 1.175 33.684 32.500 0.016 0.000 0.998 14 K HN 0.783 nan 8.250 nan 0.000 0.468 15 c N 3.244 121.860 118.600 0.026 0.000 2.555 15 c HA 0.023 4.515 4.570 -0.129 0.000 0.385 15 c C 1.517 175.622 174.090 0.025 0.000 1.296 15 c CA -0.506 55.841 56.329 0.031 0.000 1.757 15 c CB -0.690 41.839 42.510 0.032 0.000 2.445 15 c HN 0.824 nan 8.230 nan 0.000 0.571 16 D N 1.493 121.910 120.400 0.028 0.000 2.271 16 D HA -0.094 4.468 4.640 -0.129 0.000 0.207 16 D C 0.758 177.065 176.300 0.013 0.000 0.983 16 D CA 1.185 55.198 54.000 0.020 0.000 0.878 16 D CB 0.020 40.835 40.800 0.024 0.000 0.920 16 D HN 0.729 nan 8.370 nan 0.000 0.479 17 E N -0.507 119.703 120.200 0.017 0.000 6.122 17 E HA -0.301 3.972 4.350 -0.129 0.000 0.406 17 E C 0.304 176.900 176.600 -0.007 0.000 0.703 17 E CA 0.792 57.195 56.400 0.006 0.000 1.006 17 E CB -0.917 28.785 29.700 0.003 0.000 0.811 17 E HN 0.455 nan 8.360 nan 0.000 0.341 18 N N -0.574 118.117 118.700 -0.014 0.000 2.965 18 N HA -0.219 4.443 4.740 -0.129 0.000 0.232 18 N C -0.169 175.316 175.510 -0.042 0.000 0.913 18 N CA 1.131 54.161 53.050 -0.033 0.000 0.981 18 N CB -0.385 38.081 38.487 -0.036 0.000 1.077 18 N HN 0.430 nan 8.380 nan 0.000 0.589 19 S N 0.176 115.862 115.700 -0.023 0.000 2.549 19 S HA 0.293 4.686 4.470 -0.129 0.000 0.283 19 S C -1.692 172.861 174.600 -0.079 0.000 1.320 19 S CA -1.000 57.161 58.200 -0.066 0.000 1.058 19 S CB 0.908 64.094 63.200 -0.024 0.000 0.882 19 S HN 0.118 nan 8.310 nan 0.000 0.498 20 P HA 0.229 nan 4.420 nan 0.000 0.255 20 P C -1.220 175.753 177.300 -0.545 0.000 1.301 20 P CA 0.221 63.091 63.100 -0.384 0.000 0.817 20 P CB -0.087 31.247 31.700 -0.611 0.000 1.259 21 Y N -0.481 119.674 120.300 -0.242 0.000 2.425 21 Y HA 0.421 4.891 4.550 -0.134 0.000 0.344 21 Y C 0.976 176.509 175.900 -0.612 0.000 0.969 21 Y CA -1.787 56.044 58.100 -0.449 0.000 1.052 21 Y CB 1.342 39.643 38.460 -0.265 0.000 1.215 21 Y HN -0.320 nan 8.280 nan 0.000 0.451 22 R N 0.885 120.981 120.500 -0.674 0.000 2.698 22 R HA 0.213 4.475 4.340 -0.129 0.000 0.266 22 R C 0.077 176.259 176.300 -0.196 0.000 1.026 22 R CA 0.105 55.871 56.100 -0.558 0.000 1.102 22 R CB 0.254 30.295 30.300 -0.432 0.000 0.978 22 R HN 0.766 nan 8.270 nan 0.000 0.436 23 T N -0.044 114.460 114.554 -0.083 0.000 2.910 23 T HA 0.140 4.413 4.350 -0.129 0.000 0.293 23 T C 1.728 176.439 174.700 0.018 0.000 1.015 23 T CA -0.962 61.135 62.100 -0.005 0.000 1.094 23 T CB 0.819 69.710 68.868 0.037 0.000 0.968 23 T HN 0.292 nan 8.240 nan 0.000 0.521 24 I N 2.441 123.035 120.570 0.040 0.000 2.163 24 I HA -0.174 3.918 4.170 -0.129 0.000 0.243 24 I C 2.911 179.088 176.117 0.099 0.000 1.085 24 I CA 2.233 63.576 61.300 0.071 0.000 1.347 24 I CB -1.672 36.374 38.000 0.076 0.000 1.044 24 I HN 0.985 nan 8.210 nan 0.000 0.408 25 T N -1.837 112.775 114.554 0.096 0.000 3.113 25 T HA 0.145 4.417 4.350 -0.129 0.000 0.263 25 T C 1.558 176.360 174.700 0.169 0.000 1.143 25 T CA 0.876 63.046 62.100 0.116 0.000 1.090 25 T CB -0.076 68.847 68.868 0.092 0.000 0.922 25 T HN 0.561 nan 8.240 nan 0.000 0.521 26 G N 0.734 109.646 108.800 0.186 0.000 2.175 26 G HA2 -0.199 3.684 3.960 -0.129 0.000 0.244 26 G HA3 -0.199 3.684 3.960 -0.129 0.000 0.244 26 G C -0.173 174.896 174.900 0.281 0.000 0.982 26 G CA 0.054 45.340 45.100 0.310 0.000 0.641 26 G HN 0.587 nan 8.290 nan 0.000 0.527 27 D N -0.866 119.639 120.400 0.175 0.000 2.384 27 D HA 0.363 4.926 4.640 -0.129 0.000 0.244 27 D C 1.605 177.974 176.300 0.115 0.000 1.251 27 D CA 0.827 54.914 54.000 0.145 0.000 0.961 27 D CB 0.866 41.727 40.800 0.102 0.000 1.116 27 D HN 0.656 nan 8.370 nan 0.000 0.484 28 c N 0.446 119.108 118.600 0.103 0.000 4.320 28 c HA -0.167 4.326 4.570 -0.129 0.000 0.281 28 c C 1.939 176.075 174.090 0.076 0.000 1.432 28 c CA 0.234 56.613 56.329 0.083 0.000 1.884 28 c CB -2.600 39.955 42.510 0.075 0.000 1.378 28 c HN 0.718 nan 8.230 nan 0.000 0.771 29 N N 1.753 120.492 118.700 0.066 0.000 2.132 29 N HA -0.085 4.578 4.740 -0.129 0.000 0.187 29 N C 0.480 175.981 175.510 -0.015 0.000 1.038 29 N CA 1.212 54.244 53.050 -0.030 0.000 0.846 29 N CB -0.175 38.171 38.487 -0.235 0.000 1.012 29 N HN 0.743 nan 8.380 nan 0.000 0.429 30 N N 1.433 120.199 118.700 0.111 0.000 2.401 30 N HA 0.055 4.718 4.740 -0.129 0.000 0.255 30 N C 0.822 176.389 175.510 0.094 0.000 1.110 30 N CA -0.027 53.116 53.050 0.155 0.000 0.949 30 N CB 0.622 39.223 38.487 0.190 0.000 1.110 30 N HN 0.209 nan 8.380 nan 0.000 0.490 31 R N 2.688 123.229 120.500 0.069 0.000 2.083 31 R HA -0.054 4.208 4.340 -0.129 0.000 0.237 31 R C 1.589 177.914 176.300 0.042 0.000 1.137 31 R CA 1.414 57.538 56.100 0.040 0.000 0.951 31 R CB 0.088 30.401 30.300 0.023 0.000 0.851 31 R HN 0.539 nan 8.270 nan 0.000 0.434 32 R N -0.501 120.027 120.500 0.046 0.000 2.235 32 R HA 0.040 4.303 4.340 -0.129 0.000 0.213 32 R C 0.601 176.919 176.300 0.029 0.000 1.059 32 R CA 0.604 56.722 56.100 0.030 0.000 0.997 32 R CB 0.244 30.557 30.300 0.021 0.000 0.884 32 R HN -0.048 nan 8.270 nan 0.000 0.462 33 S N 0.057 115.784 115.700 0.046 0.000 2.386 33 S HA 0.258 4.650 4.470 -0.129 0.000 0.152 33 S C -2.235 172.409 174.600 0.073 0.000 1.511 33 S CA -1.355 56.872 58.200 0.045 0.000 1.246 33 S CB 0.982 64.203 63.200 0.036 0.000 1.338 33 S HN -0.112 nan 8.310 nan 0.000 0.409 34 P HA -0.063 nan 4.420 nan 0.000 0.218 34 P C 0.922 178.285 177.300 0.106 0.000 1.146 34 P CA 1.044 64.194 63.100 0.083 0.000 0.820 34 P CB 0.159 31.895 31.700 0.061 0.000 0.778 35 A N -1.500 121.376 122.820 0.093 0.000 2.275 35 A HA 0.137 4.380 4.320 -0.129 0.000 0.212 35 A C 0.809 178.466 177.584 0.121 0.000 1.201 35 A CA -0.176 51.921 52.037 0.100 0.000 0.843 35 A CB -0.830 18.209 19.000 0.066 0.000 0.873 35 A HN 0.109 nan 8.150 nan 0.000 0.492 36 L N -0.008 121.303 121.223 0.147 0.000 2.462 36 L HA 0.344 4.606 4.340 -0.129 0.000 0.272 36 L C 1.546 178.552 176.870 0.226 0.000 1.166 36 L CA 0.913 55.846 54.840 0.155 0.000 0.880 36 L CB 0.428 42.590 42.059 0.171 0.000 1.142 36 L HN 0.561 nan 8.230 nan 0.000 0.473 37 G N 2.442 111.271 108.800 0.049 0.000 2.205 37 G HA2 -0.277 3.606 3.960 -0.129 0.000 0.261 37 G HA3 -0.277 3.606 3.960 -0.129 0.000 0.261 37 G C 0.446 175.344 174.900 -0.002 0.000 0.980 37 G CA 0.040 45.009 45.100 -0.219 0.000 0.632 37 G HN 0.915 nan 8.290 nan 0.000 0.533 38 A N 0.371 123.285 122.820 0.156 0.000 2.407 38 A HA 0.809 5.052 4.320 -0.129 0.000 0.248 38 A C 1.088 178.733 177.584 0.101 0.000 1.082 38 A CA 1.053 53.194 52.037 0.174 0.000 0.785 38 A CB 0.376 19.466 19.000 0.149 0.000 1.020 38 A HN 2.113 nan 8.150 nan 0.000 0.489 39 A N 2.007 124.895 122.820 0.113 0.000 2.406 39 A HA 0.434 4.677 4.320 -0.129 0.000 0.243 39 A C 0.881 178.499 177.584 0.056 0.000 1.082 39 A CA 0.240 52.328 52.037 0.085 0.000 0.786 39 A CB -0.237 18.823 19.000 0.100 0.000 1.029 39 A HN 1.292 nan 8.150 nan 0.000 0.495 40 N N -0.517 118.204 118.700 0.035 0.000 2.776 40 N HA -0.120 4.543 4.740 -0.129 0.000 0.249 40 N C -0.266 175.242 175.510 -0.003 0.000 1.111 40 N CA 1.197 54.251 53.050 0.005 0.000 0.711 40 N CB -0.686 37.803 38.487 0.004 0.000 1.065 40 N HN 0.718 nan 8.380 nan 0.000 0.556 41 R N -0.129 120.375 120.500 0.007 0.000 2.960 41 R HA 0.772 5.035 4.340 -0.129 0.000 0.249 41 R C 0.175 176.479 176.300 0.006 0.000 1.192 41 R CA -0.402 55.703 56.100 0.008 0.000 1.035 41 R CB 0.687 31.001 30.300 0.023 0.000 1.234 41 R HN 0.105 nan 8.270 nan 0.000 0.493 42 A N 1.230 124.059 122.820 0.016 0.000 2.371 42 A HA 0.334 4.577 4.320 -0.129 0.000 0.257 42 A C -0.053 177.550 177.584 0.031 0.000 1.089 42 A CA -0.476 51.577 52.037 0.026 0.000 0.794 42 A CB 0.213 19.239 19.000 0.043 0.000 1.029 42 A HN 0.342 nan 8.150 nan 0.000 0.488 43 L N 1.469 122.715 121.223 0.039 0.000 2.490 43 L HA 0.260 4.523 4.340 -0.129 0.000 0.274 43 L C 1.212 178.101 176.870 0.031 0.000 1.201 43 L CA 0.544 55.404 54.840 0.033 0.000 0.869 43 L CB -0.238 41.863 42.059 0.071 0.000 1.123 43 L HN 0.865 nan 8.230 nan 0.000 0.484 44 A N 6.292 129.113 122.820 0.002 0.000 2.386 44 A HA 0.405 4.647 4.320 -0.129 0.000 0.246 44 A C 0.356 177.958 177.584 0.030 0.000 1.089 44 A CA -0.292 51.770 52.037 0.042 0.000 0.790 44 A CB 0.285 19.330 19.000 0.074 0.000 1.042 44 A HN 0.657 nan 8.150 nan 0.000 0.497 45 R N 0.641 121.218 120.500 0.128 0.000 2.388 45 R HA 0.135 4.398 4.340 -0.129 0.000 0.314 45 R C -0.368 176.122 176.300 0.316 0.000 0.959 45 R CA -0.415 55.779 56.100 0.158 0.000 0.851 45 R CB 0.830 31.225 30.300 0.158 0.000 1.168 45 R HN 0.954 nan 8.270 nan 0.000 0.472 46 W N 2.005 123.381 121.300 0.126 0.000 2.518 46 W HA 0.131 4.712 4.660 -0.131 0.000 0.273 46 W C 0.515 177.035 176.519 0.002 0.000 1.247 46 W CA 0.325 57.725 57.345 0.092 0.000 1.288 46 W CB 0.032 29.514 29.460 0.036 0.000 1.107 46 W HN 0.257 nan 8.180 nan 0.000 0.586 47 L N -0.068 121.268 121.223 0.189 0.000 2.388 47 L HA 0.354 4.616 4.340 -0.129 0.000 0.264 47 L C -2.155 174.735 176.870 0.034 0.000 0.998 47 L CA -2.077 52.747 54.840 -0.027 0.000 0.817 47 L CB 2.239 44.044 42.059 -0.423 0.000 1.338 47 L HN -0.485 nan 8.230 nan 0.000 0.414 48 P HA 0.081 nan 4.420 nan 0.000 0.265 48 P C -0.650 176.665 177.300 0.025 0.000 1.193 48 P CA -0.207 62.918 63.100 0.042 0.000 0.765 48 P CB 0.590 32.309 31.700 0.031 0.000 0.823 49 A N 3.406 126.255 122.820 0.048 0.000 2.520 49 A HA 0.065 4.307 4.320 -0.129 0.000 0.235 49 A C 0.192 177.733 177.584 -0.071 0.000 1.065 49 A CA 0.155 52.172 52.037 -0.033 0.000 0.764 49 A CB -0.170 18.851 19.000 0.035 0.000 1.002 49 A HN 0.574 nan 8.150 nan 0.000 0.502 50 E N 1.061 121.148 120.200 -0.189 0.000 2.207 50 E HA 0.416 4.689 4.350 -0.129 0.000 0.250 50 E C -1.678 174.806 176.600 -0.193 0.000 0.890 50 E CA 0.028 56.406 56.400 -0.036 0.000 0.749 50 E CB 1.152 30.930 29.700 0.131 0.000 1.193 50 E HN 0.669 nan 8.360 nan 0.000 0.423 51 Y N 0.612 120.851 120.300 -0.101 0.000 2.567 51 Y HA 0.133 4.606 4.550 -0.129 0.000 0.333 51 Y C 1.696 177.152 175.900 -0.740 0.000 1.106 51 Y CA -0.679 57.181 58.100 -0.401 0.000 1.157 51 Y CB 1.429 39.715 38.460 -0.289 0.000 1.277 51 Y HN 0.487 nan 8.280 nan 0.000 0.490 52 E N 0.750 120.433 120.200 -0.862 0.000 2.038 52 E HA -0.249 4.024 4.350 -0.129 0.000 0.195 52 E C 0.625 177.065 176.600 -0.266 0.000 1.000 52 E CA 1.891 57.833 56.400 -0.764 0.000 0.803 52 E CB -0.039 29.387 29.700 -0.457 0.000 0.750 52 E HN 0.835 nan 8.360 nan 0.000 0.448 53 D N -1.616 118.658 120.400 -0.210 0.000 2.395 53 D HA 0.097 4.660 4.640 -0.129 0.000 0.226 53 D C 1.123 177.362 176.300 -0.101 0.000 1.146 53 D CA 0.692 54.612 54.000 -0.133 0.000 0.830 53 D CB 0.304 41.008 40.800 -0.160 0.000 0.958 53 D HN 0.397 nan 8.370 nan 0.000 0.501 54 G N 0.538 109.303 108.800 -0.058 0.000 2.507 54 G HA2 -0.407 3.475 3.960 -0.129 0.000 0.240 54 G HA3 -0.407 3.475 3.960 -0.129 0.000 0.240 54 G C 0.991 175.906 174.900 0.026 0.000 1.119 54 G CA 0.639 45.746 45.100 0.012 0.000 0.664 54 G HN 0.435 nan 8.290 nan 0.000 0.516 55 L N -0.777 120.375 121.223 -0.118 0.000 2.200 55 L HA 0.543 4.805 4.340 -0.129 0.000 0.200 55 L C 2.740 179.232 176.870 -0.630 0.000 1.072 55 L CA 1.781 56.481 54.840 -0.233 0.000 0.787 55 L CB -0.099 41.825 42.059 -0.226 0.000 0.957 55 L HN 0.643 nan 8.230 nan 0.000 0.459 56 A N -2.231 120.084 122.820 -0.841 0.000 2.414 56 A HA 0.249 4.491 4.320 -0.129 0.000 0.165 56 A C -0.042 176.919 177.584 -1.039 0.000 1.718 56 A CA -0.311 50.930 52.037 -1.326 0.000 1.268 56 A CB 0.294 18.800 19.000 -0.823 0.000 1.547 56 A HN 0.040 nan 8.150 nan 0.000 0.462 57 L N 2.821 123.642 121.223 -0.670 0.000 2.367 57 L HA 0.350 4.613 4.340 -0.129 0.000 0.275 57 L C -2.128 174.558 176.870 -0.307 0.000 1.129 57 L CA -1.917 52.546 54.840 -0.628 0.000 0.839 57 L CB 0.183 41.855 42.059 -0.644 0.000 1.133 57 L HN 0.173 nan 8.230 nan 0.000 0.453 58 P HA 0.085 nan 4.420 nan 0.000 0.274 58 P C -0.544 176.714 177.300 -0.071 0.000 1.246 58 P CA -0.385 62.651 63.100 -0.108 0.000 0.795 58 P CB 0.493 32.084 31.700 -0.182 0.000 1.006 59 F N 0.358 120.391 119.950 0.137 0.000 2.504 59 F HA 0.371 4.820 4.527 -0.129 0.000 0.369 59 F C 1.857 177.803 175.800 0.243 0.000 1.082 59 F CA 1.891 59.991 58.000 0.167 0.000 1.216 59 F CB 0.200 39.283 39.000 0.138 0.000 1.108 59 F HN 0.690 nan 8.300 nan 0.000 0.554 60 G N 3.048 112.103 108.800 0.425 0.000 2.284 60 G HA2 -0.267 3.615 3.960 -0.129 0.000 0.201 60 G HA3 -0.267 3.615 3.960 -0.129 0.000 0.201 60 G C 1.054 176.174 174.900 0.368 0.000 0.998 60 G CA 0.039 45.362 45.100 0.373 0.000 0.651 60 G HN 0.722 nan 8.290 nan 0.000 0.489 61 W N 2.052 123.437 121.300 0.141 0.000 2.322 61 W HA -0.001 4.582 4.660 -0.129 0.000 0.326 61 W C 0.483 177.042 176.519 0.067 0.000 1.224 61 W CA 2.126 59.509 57.345 0.063 0.000 1.257 61 W CB -0.645 28.742 29.460 -0.121 0.000 1.174 61 W HN 0.188 nan 8.180 nan 0.000 0.460 62 T N 3.446 118.180 114.554 0.299 0.000 2.738 62 T HA 0.019 4.291 4.350 -0.129 0.000 0.293 62 T C 0.904 175.671 174.700 0.113 0.000 0.913 62 T CA -0.227 61.970 62.100 0.161 0.000 1.103 62 T CB 0.989 69.969 68.868 0.188 0.000 0.880 62 T HN 0.102 nan 8.240 nan 0.000 0.526 63 Q N 2.734 122.562 119.800 0.046 0.000 2.547 63 Q HA -0.087 4.175 4.340 -0.129 0.000 0.217 63 Q C 1.653 177.689 176.000 0.059 0.000 0.978 63 Q CA 0.578 56.409 55.803 0.047 0.000 0.962 63 Q CB -0.181 28.559 28.738 0.003 0.000 0.990 63 Q HN 0.781 nan 8.270 nan 0.000 0.538 64 R N -0.890 119.653 120.500 0.071 0.000 2.521 64 R HA 0.258 4.520 4.340 -0.129 0.000 0.289 64 R C 0.065 176.413 176.300 0.081 0.000 0.936 64 R CA -0.284 55.855 56.100 0.065 0.000 1.089 64 R CB 0.532 30.860 30.300 0.047 0.000 1.348 64 R HN -0.128 nan 8.270 nan 0.000 0.536 65 K N 2.640 123.107 120.400 0.112 0.000 2.183 65 K HA 0.175 4.418 4.320 -0.129 0.000 0.274 65 K C -0.261 176.446 176.600 0.178 0.000 1.009 65 K CA -0.277 56.090 56.287 0.133 0.000 0.888 65 K CB 1.923 34.509 32.500 0.144 0.000 1.078 65 K HN 0.168 nan 8.250 nan 0.000 0.459 66 T N -0.143 114.501 114.554 0.149 0.000 2.881 66 T HA 0.296 4.568 4.350 -0.129 0.000 0.278 66 T C 0.058 174.862 174.700 0.173 0.000 0.982 66 T CA -0.929 61.257 62.100 0.142 0.000 0.989 66 T CB 1.401 70.299 68.868 0.050 0.000 1.058 66 T HN 0.527 nan 8.240 nan 0.000 0.529 67 R N 1.174 121.709 120.500 0.057 0.000 2.360 67 R HA 0.258 4.521 4.340 -0.129 0.000 0.318 67 R C -0.351 175.900 176.300 -0.081 0.000 0.950 67 R CA -0.430 55.549 56.100 -0.201 0.000 0.837 67 R CB 0.099 29.979 30.300 -0.699 0.000 1.165 67 R HN 0.866 nan 8.270 nan 0.000 0.458 68 N N 3.011 121.668 118.700 -0.072 0.000 2.725 68 N HA -0.210 4.452 4.740 -0.129 0.000 0.249 68 N C 0.528 175.913 175.510 -0.209 0.000 1.103 68 N CA 1.567 54.578 53.050 -0.064 0.000 0.707 68 N CB -0.955 37.537 38.487 0.007 0.000 1.043 68 N HN 1.088 nan 8.380 nan 0.000 0.553 69 G N -1.903 106.764 108.800 -0.222 0.000 2.176 69 G HA2 -0.303 3.580 3.960 -0.129 0.000 0.253 69 G HA3 -0.303 3.580 3.960 -0.129 0.000 0.253 69 G C -0.063 174.518 174.900 -0.531 0.000 0.979 69 G CA 0.421 45.276 45.100 -0.409 0.000 0.641 69 G HN 0.418 nan 8.290 nan 0.000 0.530 70 F N -0.237 119.727 119.950 0.024 0.000 2.577 70 F HA 0.689 5.138 4.527 -0.129 0.000 0.318 70 F C 0.818 176.642 175.800 0.040 0.000 1.065 70 F CA -1.275 56.744 58.000 0.030 0.000 0.929 70 F CB 1.416 40.436 39.000 0.033 0.000 1.237 70 F HN -0.128 nan 8.300 nan 0.000 0.468 71 R N 1.423 122.084 120.500 0.268 0.000 2.347 71 R HA 0.398 4.661 4.340 -0.129 0.000 0.304 71 R C -0.869 175.520 176.300 0.148 0.000 1.072 71 R CA -0.537 55.665 56.100 0.171 0.000 0.980 71 R CB 0.885 31.258 30.300 0.121 0.000 0.986 71 R HN 0.507 nan 8.270 nan 0.000 0.448 72 V N 2.663 122.667 119.914 0.149 0.000 2.637 72 V HA 0.265 4.307 4.120 -0.129 0.000 0.296 72 V C -1.664 174.462 176.094 0.052 0.000 1.046 72 V CA -1.752 60.630 62.300 0.136 0.000 1.066 72 V CB 0.374 32.313 31.823 0.194 0.000 0.968 72 V HN 0.706 nan 8.190 nan 0.000 0.483 73 P HA 0.297 nan 4.420 nan 0.000 0.275 73 P C -0.233 177.029 177.300 -0.065 0.000 1.227 73 P CA -0.534 62.487 63.100 -0.132 0.000 0.781 73 P CB 0.883 32.371 31.700 -0.352 0.000 0.906 74 L N 2.084 123.277 121.223 -0.050 0.000 2.578 74 L HA -0.059 4.204 4.340 -0.129 0.000 0.279 74 L C 2.078 178.921 176.870 -0.044 0.000 1.227 74 L CA -0.113 54.701 54.840 -0.044 0.000 0.900 74 L CB -0.024 42.010 42.059 -0.042 0.000 1.144 74 L HN 0.494 nan 8.230 nan 0.000 0.496 75 A N 3.749 126.536 122.820 -0.055 0.000 1.927 75 A HA -0.266 3.977 4.320 -0.129 0.000 0.220 75 A C 2.301 179.884 177.584 -0.001 0.000 1.185 75 A CA 2.184 54.201 52.037 -0.034 0.000 0.639 75 A CB -0.417 18.514 19.000 -0.116 0.000 0.820 75 A HN 0.878 nan 8.150 nan 0.000 0.451 76 R N 0.025 120.522 120.500 -0.005 0.000 2.115 76 R HA -0.053 4.210 4.340 -0.129 0.000 0.226 76 R C 1.959 178.282 176.300 0.039 0.000 1.100 76 R CA 1.800 57.927 56.100 0.046 0.000 0.980 76 R CB -0.465 29.903 30.300 0.113 0.000 0.875 76 R HN 0.687 nan 8.270 nan 0.000 0.445 77 E N -0.604 119.603 120.200 0.011 0.000 2.208 77 E HA -0.092 4.180 4.350 -0.129 0.000 0.193 77 E C 1.407 178.002 176.600 -0.010 0.000 0.988 77 E CA 1.030 57.426 56.400 -0.007 0.000 0.828 77 E CB 0.220 29.901 29.700 -0.032 0.000 0.763 77 E HN 0.225 nan 8.360 nan 0.000 0.478 78 V N 0.296 120.208 119.914 -0.005 0.000 2.548 78 V HA -0.185 3.858 4.120 -0.129 0.000 0.249 78 V C 2.318 178.464 176.094 0.087 0.000 1.055 78 V CA 1.584 63.897 62.300 0.021 0.000 1.065 78 V CB -0.205 31.655 31.823 0.062 0.000 0.681 78 V HN 0.254 nan 8.190 nan 0.000 0.462 79 S N 0.790 116.549 115.700 0.099 0.000 2.338 79 S HA -0.202 4.190 4.470 -0.129 0.000 0.218 79 S C 1.966 176.618 174.600 0.087 0.000 1.032 79 S CA 1.924 60.200 58.200 0.126 0.000 0.999 79 S CB -0.394 62.873 63.200 0.112 0.000 0.905 79 S HN 0.647 nan 8.310 nan 0.000 0.439 80 N N 1.318 120.048 118.700 0.050 0.000 2.061 80 N HA -0.101 4.561 4.740 -0.129 0.000 0.193 80 N C 1.660 177.189 175.510 0.032 0.000 1.030 80 N CA 1.409 54.476 53.050 0.028 0.000 0.856 80 N CB -0.436 38.053 38.487 0.003 0.000 1.023 80 N HN 0.337 nan 8.380 nan 0.000 0.424 81 K N -0.192 120.225 120.400 0.027 0.000 2.076 81 K HA 0.180 4.423 4.320 -0.129 0.000 0.204 81 K C 1.681 178.305 176.600 0.040 0.000 1.051 81 K CA 0.643 56.944 56.287 0.022 0.000 0.949 81 K CB 0.201 32.701 32.500 -0.001 0.000 0.726 81 K HN 0.158 nan 8.250 nan 0.000 0.443 82 I N -0.898 119.707 120.570 0.058 0.000 3.194 82 I HA -0.029 4.064 4.170 -0.129 0.000 0.271 82 I C 1.729 177.903 176.117 0.095 0.000 1.150 82 I CA 0.589 61.929 61.300 0.067 0.000 1.440 82 I CB -0.491 37.549 38.000 0.067 0.000 1.276 82 I HN -0.195 nan 8.210 nan 0.000 0.457 83 V N 1.422 121.413 119.914 0.128 0.000 2.871 83 V HA 0.109 4.152 4.120 -0.129 0.000 0.256 83 V C 1.459 177.675 176.094 0.203 0.000 1.082 83 V CA 0.840 63.244 62.300 0.174 0.000 1.105 83 V CB -1.219 30.751 31.823 0.245 0.000 0.713 83 V HN 0.375 nan 8.190 nan 0.000 0.473 84 G N -0.450 108.443 108.800 0.155 0.000 2.537 84 G HA2 0.519 4.401 3.960 -0.129 0.000 0.273 84 G HA3 0.519 4.401 3.960 -0.129 0.000 0.273 84 G C -0.916 174.115 174.900 0.219 0.000 1.189 84 G CA -0.053 45.125 45.100 0.129 0.000 0.881 84 G HN 0.510 nan 8.290 nan 0.000 0.535 85 Y N -1.955 118.379 120.300 0.056 0.000 2.750 85 Y HA 0.595 5.067 4.550 -0.130 0.000 0.335 85 Y C -0.434 175.494 175.900 0.047 0.000 1.252 85 Y CA -1.210 56.919 58.100 0.047 0.000 1.064 85 Y CB 0.983 39.473 38.460 0.050 0.000 1.321 85 Y HN 0.291 nan 8.280 nan 0.000 0.451 86 L N -0.045 121.305 121.223 0.212 0.000 2.766 86 L HA 0.267 4.530 4.340 -0.129 0.000 0.241 86 L C -0.366 176.608 176.870 0.174 0.000 1.080 86 L CA 0.197 55.092 54.840 0.091 0.000 0.909 86 L CB 0.609 42.710 42.059 0.070 0.000 1.277 86 L HN 0.634 nan 8.230 nan 0.000 0.510 87 D N 0.816 121.396 120.400 0.299 0.000 2.347 87 D HA 0.066 4.628 4.640 -0.129 0.000 0.235 87 D C 0.803 177.285 176.300 0.304 0.000 1.149 87 D CA 0.098 54.232 54.000 0.223 0.000 0.850 87 D CB 1.200 42.083 40.800 0.139 0.000 1.061 87 D HN -0.012 nan 8.370 nan 0.000 0.487 88 E N 1.825 122.177 120.200 0.253 0.000 2.427 88 E HA -0.059 4.214 4.350 -0.129 0.000 0.196 88 E C 0.033 176.726 176.600 0.155 0.000 1.028 88 E CA 0.196 56.756 56.400 0.268 0.000 0.864 88 E CB 0.042 29.860 29.700 0.197 0.000 0.813 88 E HN 0.535 nan 8.360 nan 0.000 0.514 89 D N -0.169 120.298 120.400 0.113 0.000 2.383 89 D HA 0.198 4.761 4.640 -0.129 0.000 0.252 89 D C 1.122 177.454 176.300 0.052 0.000 1.166 89 D CA 1.151 55.196 54.000 0.075 0.000 0.879 89 D CB 0.484 41.321 40.800 0.062 0.000 1.164 89 D HN 0.163 nan 8.370 nan 0.000 0.462 90 G N 2.178 111.003 108.800 0.043 0.000 2.194 90 G HA2 -0.282 3.601 3.960 -0.129 0.000 0.236 90 G HA3 -0.282 3.601 3.960 -0.129 0.000 0.236 90 G C 1.051 175.958 174.900 0.012 0.000 0.987 90 G CA 0.161 45.275 45.100 0.023 0.000 0.635 90 G HN 0.618 nan 8.290 nan 0.000 0.520 91 V N 1.566 121.493 119.914 0.023 0.000 2.871 91 V HA 0.290 4.332 4.120 -0.129 0.000 0.256 91 V C 1.649 177.770 176.094 0.044 0.000 1.082 91 V CA 1.200 63.507 62.300 0.013 0.000 1.105 91 V CB -0.222 31.620 31.823 0.031 0.000 0.713 91 V HN 0.425 nan 8.190 nan 0.000 0.473 92 L N 1.116 122.375 121.223 0.060 0.000 2.453 92 L HA 0.165 4.428 4.340 -0.129 0.000 0.272 92 L C 0.387 177.289 176.870 0.055 0.000 1.182 92 L CA -0.011 54.872 54.840 0.070 0.000 0.858 92 L CB -0.052 42.053 42.059 0.076 0.000 1.120 92 L HN 0.109 nan 8.230 nan 0.000 0.474 93 D N 2.498 122.936 120.400 0.063 0.000 2.342 93 D HA -0.035 4.527 4.640 -0.129 0.000 0.260 93 D C 0.751 177.065 176.300 0.023 0.000 1.278 93 D CA 0.051 54.072 54.000 0.036 0.000 0.910 93 D CB 1.274 42.098 40.800 0.040 0.000 1.079 93 D HN 0.448 nan 8.370 nan 0.000 0.496 94 Q N 2.605 122.412 119.800 0.012 0.000 2.508 94 Q HA -0.075 4.188 4.340 -0.129 0.000 0.214 94 Q C 0.374 176.374 176.000 0.000 0.000 0.979 94 Q CA 0.826 56.637 55.803 0.013 0.000 0.911 94 Q CB -0.001 28.743 28.738 0.010 0.000 0.969 94 Q HN 0.337 nan 8.270 nan 0.000 0.504 95 N N -0.127 118.556 118.700 -0.028 0.000 2.466 95 N HA 0.116 4.779 4.740 -0.129 0.000 0.272 95 N C -1.524 173.935 175.510 -0.085 0.000 1.455 95 N CA -0.126 52.897 53.050 -0.045 0.000 0.875 95 N CB 0.525 38.978 38.487 -0.056 0.000 1.372 95 N HN -0.142 nan 8.380 nan 0.000 0.492 96 R N 0.379 120.839 120.500 -0.067 0.000 2.533 96 R HA 0.321 4.584 4.340 -0.129 0.000 0.288 96 R C -0.465 175.885 176.300 0.083 0.000 1.039 96 R CA -0.504 55.545 56.100 -0.085 0.000 0.909 96 R CB 1.171 31.259 30.300 -0.354 0.000 1.195 96 R HN 0.291 nan 8.270 nan 0.000 0.438 97 S N 1.341 117.140 115.700 0.165 0.000 2.593 97 S HA 0.080 4.473 4.470 -0.129 0.000 0.269 97 S C 1.228 175.980 174.600 0.254 0.000 1.334 97 S CA -0.679 57.634 58.200 0.188 0.000 1.015 97 S CB 0.890 64.184 63.200 0.157 0.000 0.912 97 S HN 0.591 nan 8.310 nan 0.000 0.541 98 L N 1.013 122.357 121.223 0.200 0.000 2.549 98 L HA 0.093 4.356 4.340 -0.129 0.000 0.230 98 L C 1.722 178.711 176.870 0.198 0.000 1.162 98 L CA 1.142 56.098 54.840 0.193 0.000 0.834 98 L CB -0.886 41.258 42.059 0.141 0.000 0.947 98 L HN 0.830 nan 8.230 nan 0.000 0.452 99 L N -1.819 119.527 121.223 0.205 0.000 2.240 99 L HA -0.057 4.206 4.340 -0.129 0.000 0.211 99 L C 2.129 179.235 176.870 0.392 0.000 1.106 99 L CA 1.330 56.267 54.840 0.161 0.000 0.793 99 L CB -0.750 41.264 42.059 -0.075 0.000 0.927 99 L HN 0.319 nan 8.230 nan 0.000 0.446 100 F N 0.074 120.253 119.950 0.381 0.000 2.069 100 F HA -0.293 4.155 4.527 -0.131 0.000 0.298 100 F C 2.485 178.444 175.800 0.264 0.000 1.113 100 F CA 2.493 60.726 58.000 0.387 0.000 1.214 100 F CB -0.376 38.806 39.000 0.303 0.000 0.978 100 F HN 0.211 nan 8.300 nan 0.000 0.474 101 M N 0.020 119.763 119.600 0.237 0.000 2.080 101 M HA -0.257 4.145 4.480 -0.129 0.000 0.260 101 M C 2.238 178.492 176.300 -0.077 0.000 1.068 101 M CA 2.124 57.443 55.300 0.031 0.000 1.109 101 M CB -0.616 32.053 32.600 0.115 0.000 1.342 101 M HN 0.344 nan 8.290 nan 0.000 0.405 102 Q N 0.016 119.824 119.800 0.013 0.000 2.170 102 Q HA -0.212 4.050 4.340 -0.129 0.000 0.203 102 Q C 1.756 177.703 176.000 -0.089 0.000 0.976 102 Q CA 2.151 57.935 55.803 -0.032 0.000 0.858 102 Q CB -0.757 28.006 28.738 0.041 0.000 0.907 102 Q HN 0.752 nan 8.270 nan 0.000 0.433 103 W N -0.307 120.831 121.300 -0.269 0.000 2.436 103 W HA -0.022 4.563 4.660 -0.124 0.000 0.284 103 W C 1.562 177.720 176.519 -0.602 0.000 1.225 103 W CA 1.203 58.316 57.345 -0.387 0.000 1.271 103 W CB -0.223 29.015 29.460 -0.369 0.000 1.114 103 W HN 0.323 nan 8.180 nan 0.000 0.559 104 G N 0.303 108.685 108.800 -0.697 0.000 2.422 104 G HA2 -0.348 3.535 3.960 -0.129 0.000 0.218 104 G HA3 -0.348 3.535 3.960 -0.129 0.000 0.218 104 G C 1.405 175.891 174.900 -0.690 0.000 1.146 104 G CA 0.910 45.630 45.100 -0.634 0.000 0.769 104 G HN 0.355 nan 8.290 nan 0.000 0.547 105 Q N -0.488 118.938 119.800 -0.622 0.000 2.224 105 Q HA -0.035 4.228 4.340 -0.129 0.000 0.203 105 Q C 2.457 178.011 176.000 -0.743 0.000 0.970 105 Q CA 0.482 55.870 55.803 -0.691 0.000 0.865 105 Q CB -0.067 28.348 28.738 -0.538 0.000 0.922 105 Q HN 0.402 nan 8.270 nan 0.000 0.445 106 I N -0.160 120.002 120.570 -0.680 0.000 2.110 106 I HA -0.229 3.864 4.170 -0.129 0.000 0.236 106 I C 2.372 178.177 176.117 -0.520 0.000 1.068 106 I CA 0.851 61.753 61.300 -0.664 0.000 1.333 106 I CB -1.209 36.205 38.000 -0.977 0.000 1.054 106 I HN 0.079 nan 8.210 nan 0.000 0.402 107 V N 1.409 120.960 119.914 -0.606 0.000 2.278 107 V HA -0.366 3.677 4.120 -0.129 0.000 0.251 107 V C 2.483 178.644 176.094 0.111 0.000 1.062 107 V CA 2.355 64.566 62.300 -0.147 0.000 1.038 107 V CB -0.774 31.092 31.823 0.072 0.000 0.646 107 V HN 0.506 nan 8.190 nan 0.000 0.447 108 D N -0.757 119.575 120.400 -0.115 0.000 2.106 108 D HA -0.251 4.312 4.640 -0.129 0.000 0.191 108 D C 1.915 178.265 176.300 0.083 0.000 0.997 108 D CA 2.006 55.904 54.000 -0.171 0.000 0.834 108 D CB -0.202 40.133 40.800 -0.775 0.000 0.956 108 D HN 0.696 nan 8.370 nan 0.000 0.448 109 H N -0.707 118.257 119.070 -0.177 0.000 2.546 109 H HA -0.059 4.419 4.556 -0.129 0.000 0.277 109 H C 1.467 176.770 175.328 -0.042 0.000 1.004 109 H CA 0.352 56.324 56.048 -0.128 0.000 1.231 109 H CB 0.458 30.124 29.762 -0.161 0.000 1.382 109 H HN 0.197 nan 8.280 nan 0.000 0.580 110 D N 0.531 120.997 120.400 0.110 0.000 2.240 110 D HA -0.045 4.518 4.640 -0.129 0.000 0.206 110 D C 1.978 178.381 176.300 0.171 0.000 0.963 110 D CA 0.390 54.464 54.000 0.123 0.000 0.863 110 D CB 0.458 41.327 40.800 0.116 0.000 0.973 110 D HN 0.350 nan 8.370 nan 0.000 0.501 111 L N -0.099 121.249 121.223 0.208 0.000 2.221 111 L HA 0.120 4.382 4.340 -0.129 0.000 0.202 111 L C 0.020 176.995 176.870 0.176 0.000 1.074 111 L CA 0.426 55.393 54.840 0.211 0.000 0.795 111 L CB 0.059 42.304 42.059 0.309 0.000 0.960 111 L HN -0.021 nan 8.230 nan 0.000 0.458 112 D N -2.035 118.477 120.400 0.186 0.000 2.661 112 D HA 0.514 5.077 4.640 -0.129 0.000 0.228 112 D C -1.145 175.266 176.300 0.184 0.000 1.183 112 D CA -0.461 53.636 54.000 0.163 0.000 0.844 112 D CB 2.189 43.086 40.800 0.162 0.000 1.555 112 D HN -0.195 nan 8.370 nan 0.000 0.453 113 F N 0.912 120.851 119.950 -0.019 0.000 2.651 113 F HA 0.625 5.075 4.527 -0.128 0.000 0.329 113 F C -1.763 174.033 175.800 -0.007 0.000 1.186 113 F CA -1.355 56.616 58.000 -0.048 0.000 1.046 113 F CB 1.852 40.820 39.000 -0.053 0.000 1.296 113 F HN 0.726 nan 8.300 nan 0.000 0.497 114 A N 7.655 130.468 122.820 -0.012 0.000 2.644 114 A HA 0.723 4.966 4.320 -0.129 0.000 0.343 114 A C -2.695 174.671 177.584 -0.362 0.000 1.324 114 A CA -1.497 50.456 52.037 -0.140 0.000 0.846 114 A CB -0.240 18.849 19.000 0.148 0.000 1.128 114 A HN 0.438 nan 8.150 nan 0.000 0.484 115 P HA 0.114 nan 4.420 nan 0.000 0.271 115 P C 0.147 177.286 177.300 -0.268 0.000 1.238 115 P CA 0.007 62.679 63.100 -0.712 0.000 0.794 115 P CB 0.589 31.852 31.700 -0.729 0.000 0.959 116 E N -0.734 119.359 120.200 -0.178 0.000 2.314 116 E HA 0.241 4.513 4.350 -0.129 0.000 0.262 116 E C -0.018 176.516 176.600 -0.110 0.000 1.093 116 E CA -0.500 55.838 56.400 -0.103 0.000 0.908 116 E CB 0.398 30.044 29.700 -0.091 0.000 1.091 116 E HN 0.469 nan 8.360 nan 0.000 0.425 117 T N -1.440 113.083 114.554 -0.051 0.000 2.913 117 T HA 0.123 4.396 4.350 -0.129 0.000 0.297 117 T C 0.512 175.119 174.700 -0.155 0.000 1.029 117 T CA -0.511 61.556 62.100 -0.055 0.000 1.104 117 T CB 1.901 70.803 68.868 0.057 0.000 0.964 117 T HN 0.535 nan 8.240 nan 0.000 0.532 118 E N 0.707 120.814 120.200 -0.156 0.000 2.933 118 E HA 0.324 4.596 4.350 -0.129 0.000 0.301 118 E C -0.396 176.106 176.600 -0.163 0.000 0.836 118 E CA -0.526 55.755 56.400 -0.199 0.000 1.213 118 E CB 0.158 29.753 29.700 -0.175 0.000 2.349 118 E HN 0.561 nan 8.360 nan 0.000 0.558 119 L N 0.130 121.282 121.223 -0.119 0.000 3.571 119 L HA -0.172 4.091 4.340 -0.129 0.000 0.630 119 L C -0.319 176.500 176.870 -0.085 0.000 1.265 119 L CA 0.968 55.760 54.840 -0.081 0.000 0.998 119 L CB -1.536 40.499 42.059 -0.039 0.000 1.574 119 L HN 0.529 nan 8.230 nan 0.000 0.867 120 G N -0.580 108.160 108.800 -0.099 0.000 3.112 120 G HA2 0.271 4.153 3.960 -0.129 0.000 0.234 120 G HA3 0.271 4.153 3.960 -0.129 0.000 0.234 120 G C 0.266 175.100 174.900 -0.110 0.000 3.847 120 G CA -0.181 44.862 45.100 -0.095 0.000 0.449 120 G HN 0.277 nan 8.290 nan 0.000 0.332 121 S N 0.222 115.864 115.700 -0.097 0.000 2.786 121 S HA 0.288 4.680 4.470 -0.129 0.000 0.223 121 S C 0.558 175.105 174.600 -0.088 0.000 0.956 121 S CA 0.082 58.223 58.200 -0.097 0.000 0.961 121 S CB 0.103 63.253 63.200 -0.084 0.000 0.784 121 S HN 0.751 nan 8.310 nan 0.000 0.519 122 N N 0.573 119.221 118.700 -0.086 0.000 6.519 122 N HA 0.161 4.824 4.740 -0.129 0.000 0.115 122 N C -1.726 173.735 175.510 -0.082 0.000 0.957 122 N CA 0.149 53.150 53.050 -0.081 0.000 1.205 122 N CB 0.966 39.405 38.487 -0.079 0.000 1.393 122 N HN 0.252 nan 8.380 nan 0.000 1.202 123 E N 0.457 120.616 120.200 -0.068 0.000 2.396 123 E HA 0.328 4.601 4.350 -0.129 0.000 0.280 123 E C -0.763 175.865 176.600 0.047 0.000 1.065 123 E CA -0.352 56.023 56.400 -0.043 0.000 0.831 123 E CB 0.729 30.415 29.700 -0.023 0.000 1.272 123 E HN 0.565 nan 8.360 nan 0.000 0.443 124 H N 0.696 119.782 119.070 0.028 0.000 2.547 124 H HA 0.106 4.585 4.556 -0.129 0.000 0.266 124 H C 1.204 176.584 175.328 0.087 0.000 0.988 124 H CA 0.676 56.758 56.048 0.056 0.000 1.147 124 H CB 0.733 30.529 29.762 0.057 0.000 1.365 124 H HN 0.307 nan 8.280 nan 0.000 0.589 125 S N 0.817 116.633 115.700 0.194 0.000 2.425 125 S HA -0.082 4.311 4.470 -0.129 0.000 0.225 125 S C 1.844 176.590 174.600 0.243 0.000 1.024 125 S CA 0.413 58.731 58.200 0.198 0.000 0.951 125 S CB 0.108 63.404 63.200 0.160 0.000 0.796 125 S HN 0.535 nan 8.310 nan 0.000 0.498 126 K N -0.123 120.361 120.400 0.139 0.000 2.522 126 K HA 0.164 4.406 4.320 -0.129 0.000 0.194 126 K C 0.616 177.350 176.600 0.223 0.000 1.026 126 K CA 0.701 57.080 56.287 0.153 0.000 1.119 126 K CB 0.055 32.513 32.500 -0.070 0.000 0.856 126 K HN 0.165 nan 8.250 nan 0.000 0.513 127 T N -0.173 114.501 114.554 0.200 0.000 3.051 127 T HA -0.025 4.247 4.350 -0.129 0.000 0.254 127 T C 1.324 176.088 174.700 0.107 0.000 0.916 127 T CA -0.189 61.992 62.100 0.136 0.000 0.894 127 T CB 0.374 69.317 68.868 0.125 0.000 1.251 127 T HN 0.275 nan 8.240 nan 0.000 0.517 128 Q N 0.170 120.070 119.800 0.168 0.000 2.230 128 Q HA -0.060 4.203 4.340 -0.129 0.000 0.202 128 Q C 2.354 178.454 176.000 0.167 0.000 0.963 128 Q CA 1.076 57.008 55.803 0.214 0.000 0.866 128 Q CB -0.178 28.671 28.738 0.185 0.000 0.931 128 Q HN 0.522 nan 8.270 nan 0.000 0.452 129 c N 0.399 119.092 118.600 0.155 0.000 2.486 129 c HA -0.040 4.453 4.570 -0.129 0.000 0.279 129 c C 2.487 176.543 174.090 -0.057 0.000 1.302 129 c CA 1.174 57.540 56.329 0.061 0.000 1.720 129 c CB -0.498 42.064 42.510 0.087 0.000 2.030 129 c HN 0.669 nan 8.230 nan 0.000 0.490 130 E N -0.286 119.898 120.200 -0.025 0.000 2.158 130 E HA -0.116 4.157 4.350 -0.129 0.000 0.191 130 E C 1.907 178.389 176.600 -0.196 0.000 0.982 130 E CA 0.861 57.187 56.400 -0.124 0.000 0.823 130 E CB 0.041 29.714 29.700 -0.044 0.000 0.766 130 E HN 0.548 nan 8.360 nan 0.000 0.468 131 E N -0.782 119.262 120.200 -0.260 0.000 2.318 131 E HA -0.049 4.223 4.350 -0.129 0.000 0.193 131 E C 0.545 176.645 176.600 -0.833 0.000 0.998 131 E CA 0.702 56.748 56.400 -0.589 0.000 0.859 131 E CB 0.330 29.538 29.700 -0.821 0.000 0.812 131 E HN 0.474 nan 8.360 nan 0.000 0.492 132 Y N -1.953 118.311 120.300 -0.060 0.000 2.610 132 Y HA 0.161 4.634 4.550 -0.129 0.000 0.254 132 Y C 0.792 176.641 175.900 -0.086 0.000 1.110 132 Y CA -0.413 57.648 58.100 -0.065 0.000 1.238 132 Y CB 0.210 38.638 38.460 -0.053 0.000 1.322 132 Y HN -0.101 nan 8.280 nan 0.000 0.547 133 c N 1.404 119.991 118.600 -0.022 0.000 4.297 133 c HA -0.200 4.293 4.570 -0.129 0.000 0.290 133 c C 0.478 174.534 174.090 -0.057 0.000 1.444 133 c CA -0.842 55.435 56.329 -0.087 0.000 1.982 133 c CB -2.975 39.451 42.510 -0.141 0.000 1.276 133 c HN 0.275 nan 8.230 nan 0.000 0.797 134 I N 1.354 121.929 120.570 0.008 0.000 2.517 134 I HA 0.127 4.219 4.170 -0.129 0.000 0.285 134 I C 0.768 176.867 176.117 -0.031 0.000 1.106 134 I CA 0.772 62.067 61.300 -0.008 0.000 1.402 134 I CB 0.037 38.054 38.000 0.028 0.000 1.399 134 I HN 0.510 nan 8.210 nan 0.000 0.535 135 Q N 4.287 124.024 119.800 -0.104 0.000 2.314 135 Q HA 0.539 4.802 4.340 -0.129 0.000 0.258 135 Q C -0.138 175.815 176.000 -0.079 0.000 0.954 135 Q CA -0.191 55.508 55.803 -0.174 0.000 0.890 135 Q CB 1.191 29.672 28.738 -0.429 0.000 1.210 135 Q HN 0.951 nan 8.270 nan 0.000 0.410 136 G N 3.017 111.876 108.800 0.099 0.000 2.433 136 G HA2 0.234 4.117 3.960 -0.129 0.000 0.306 136 G HA3 0.234 4.117 3.960 -0.129 0.000 0.306 136 G C -1.246 173.865 174.900 0.352 0.000 1.627 136 G CA -0.281 44.967 45.100 0.248 0.000 0.893 136 G HN 0.751 nan 8.290 nan 0.000 0.648 137 D N 0.652 121.264 120.400 0.352 0.000 3.740 137 D HA -0.241 4.322 4.640 -0.129 0.000 0.147 137 D C 1.241 177.708 176.300 0.279 0.000 0.885 137 D CA 1.621 55.761 54.000 0.233 0.000 1.051 137 D CB -0.359 40.546 40.800 0.175 0.000 0.480 137 D HN 0.484 nan 8.370 nan 0.000 0.469 138 N N 0.006 118.864 118.700 0.262 0.000 2.449 138 N HA 0.052 4.715 4.740 -0.129 0.000 0.191 138 N C 0.128 175.911 175.510 0.455 0.000 1.161 138 N CA 0.183 53.419 53.050 0.309 0.000 0.863 138 N CB -0.280 38.363 38.487 0.260 0.000 0.980 138 N HN 0.364 nan 8.380 nan 0.000 0.458 139 c N 1.484 120.347 118.600 0.437 0.000 2.281 139 c HA 0.430 4.922 4.570 -0.129 0.000 0.336 139 c C -0.390 173.932 174.090 0.387 0.000 1.217 139 c CA -0.807 55.709 56.329 0.311 0.000 1.730 139 c CB -1.844 40.795 42.510 0.215 0.000 2.338 139 c HN 0.264 nan 8.230 nan 0.000 0.521 140 F N 9.534 129.605 119.950 0.201 0.000 2.564 140 F HA 0.504 4.954 4.527 -0.129 0.000 0.361 140 F C -2.497 173.358 175.800 0.092 0.000 1.161 140 F CA -3.189 54.949 58.000 0.230 0.000 1.198 140 F CB 0.549 39.856 39.000 0.511 0.000 1.424 140 F HN 0.442 nan 8.300 nan 0.000 0.517 141 P HA 0.129 nan 4.420 nan 0.000 0.268 141 P C -0.242 176.783 177.300 -0.459 0.000 1.208 141 P CA 0.241 63.170 63.100 -0.284 0.000 0.777 141 P CB 0.935 32.488 31.700 -0.246 0.000 0.875 142 I N 2.723 123.040 120.570 -0.422 0.000 2.310 142 I HA 0.167 4.259 4.170 -0.129 0.000 0.287 142 I C 0.389 176.229 176.117 -0.462 0.000 1.073 142 I CA -0.643 60.392 61.300 -0.443 0.000 1.216 142 I CB 0.287 38.076 38.000 -0.352 0.000 1.415 142 I HN 0.122 nan 8.210 nan 0.000 0.480 143 M N 5.483 124.860 119.600 -0.372 0.000 2.248 143 M HA 0.265 4.668 4.480 -0.129 0.000 0.337 143 M C -0.236 175.923 176.300 -0.234 0.000 1.121 143 M CA 0.327 55.425 55.300 -0.336 0.000 1.155 143 M CB -0.299 32.186 32.600 -0.192 0.000 1.514 143 M HN 0.233 nan 8.290 nan 0.000 0.452 144 F N 3.605 123.493 119.950 -0.103 0.000 2.385 144 F HA 0.373 4.823 4.527 -0.129 0.000 0.336 144 F C -1.322 174.435 175.800 -0.072 0.000 1.100 144 F CA -1.740 56.206 58.000 -0.088 0.000 1.116 144 F CB 0.983 39.931 39.000 -0.086 0.000 1.166 144 F HN 0.401 nan 8.300 nan 0.000 0.511 145 P HA 0.068 nan 4.420 nan 0.000 0.276 145 P C -1.280 176.042 177.300 0.037 0.000 1.261 145 P CA -0.769 62.363 63.100 0.055 0.000 0.800 145 P CB 0.971 32.686 31.700 0.026 0.000 1.066 146 K N 1.821 122.230 120.400 0.014 0.000 2.412 146 K HA -0.019 4.224 4.320 -0.129 0.000 0.281 146 K C 0.056 176.649 176.600 -0.012 0.000 1.027 146 K CA 0.111 56.400 56.287 0.002 0.000 0.989 146 K CB -0.320 32.179 32.500 -0.002 0.000 0.935 146 K HN 0.380 nan 8.250 nan 0.000 0.475 147 N N 1.323 120.009 118.700 -0.024 0.000 2.997 147 N HA -0.176 4.486 4.740 -0.129 0.000 0.214 147 N C -1.101 174.370 175.510 -0.065 0.000 0.904 147 N CA 0.959 53.986 53.050 -0.038 0.000 1.021 147 N CB -1.119 37.351 38.487 -0.029 0.000 1.040 147 N HN 0.827 nan 8.380 nan 0.000 0.573 148 D N 1.427 121.773 120.400 -0.090 0.000 2.351 148 D HA 0.151 4.714 4.640 -0.129 0.000 0.251 148 D C -1.318 174.856 176.300 -0.211 0.000 1.137 148 D CA -1.378 52.523 54.000 -0.164 0.000 0.879 148 D CB 1.419 42.074 40.800 -0.242 0.000 1.181 148 D HN 0.003 nan 8.370 nan 0.000 0.448 149 P HA -0.153 nan 4.420 nan 0.000 0.215 149 P C 1.042 178.191 177.300 -0.252 0.000 1.157 149 P CA 1.405 64.400 63.100 -0.176 0.000 0.874 149 P CB 0.234 31.848 31.700 -0.143 0.000 0.790 150 K N -0.757 119.398 120.400 -0.407 0.000 2.293 150 K HA -0.169 4.073 4.320 -0.129 0.000 0.204 150 K C 2.025 178.313 176.600 -0.521 0.000 1.045 150 K CA 0.904 56.849 56.287 -0.569 0.000 0.933 150 K CB -0.727 31.193 32.500 -0.967 0.000 0.736 150 K HN 0.218 nan 8.250 nan 0.000 0.463 151 L N 1.030 121.999 121.223 -0.423 0.000 2.017 151 L HA -0.241 4.021 4.340 -0.129 0.000 0.208 151 L C 2.204 179.032 176.870 -0.070 0.000 1.073 151 L CA 1.556 56.320 54.840 -0.127 0.000 0.745 151 L CB -0.216 41.803 42.059 -0.066 0.000 0.894 151 L HN 0.181 nan 8.230 nan 0.000 0.432 152 K N -1.023 119.320 120.400 -0.096 0.000 2.097 152 K HA -0.165 4.078 4.320 -0.129 0.000 0.206 152 K C 1.762 178.332 176.600 -0.051 0.000 1.049 152 K CA 1.940 58.191 56.287 -0.061 0.000 0.933 152 K CB -0.165 32.297 32.500 -0.064 0.000 0.717 152 K HN 0.481 nan 8.250 nan 0.000 0.442 153 T N -3.272 111.240 114.554 -0.070 0.000 2.985 153 T HA 0.139 4.411 4.350 -0.129 0.000 0.254 153 T C 1.607 176.285 174.700 -0.036 0.000 1.021 153 T CA -0.230 61.840 62.100 -0.050 0.000 0.957 153 T CB 0.478 69.312 68.868 -0.056 0.000 1.047 153 T HN 0.038 nan 8.240 nan 0.000 0.511 154 Q N 0.292 120.072 119.800 -0.032 0.000 2.511 154 Q HA 0.537 4.800 4.340 -0.129 0.000 0.236 154 Q C 1.123 177.152 176.000 0.048 0.000 0.893 154 Q CA 0.459 56.268 55.803 0.010 0.000 0.947 154 Q CB 1.249 30.002 28.738 0.025 0.000 1.110 154 Q HN 0.657 nan 8.270 nan 0.000 0.591 155 G N 0.074 108.943 108.800 0.115 0.000 2.334 155 G HA2 -0.055 3.827 3.960 -0.129 0.000 0.249 155 G HA3 -0.055 3.827 3.960 -0.129 0.000 0.249 155 G C -0.712 174.270 174.900 0.138 0.000 1.327 155 G CA -0.525 44.616 45.100 0.068 0.000 0.979 155 G HN -0.127 nan 8.290 nan 0.000 0.471 156 K N -0.538 119.853 120.400 -0.016 0.000 2.352 156 K HA 0.323 4.566 4.320 -0.129 0.000 0.194 156 K C 0.626 176.990 176.600 -0.394 0.000 1.038 156 K CA 1.200 57.449 56.287 -0.064 0.000 1.023 156 K CB 0.446 32.899 32.500 -0.079 0.000 0.840 156 K HN 1.124 nan 8.250 nan 0.000 0.519 157 c N -1.853 116.358 118.600 -0.648 0.000 3.306 157 c HA 0.573 5.066 4.570 -0.129 0.000 0.335 157 c C -1.086 172.485 174.090 -0.865 0.000 1.382 157 c CA -1.325 54.392 56.329 -1.019 0.000 1.254 157 c CB 0.780 42.960 42.510 -0.549 0.000 1.555 157 c HN 0.064 nan 8.230 nan 0.000 0.463 158 M N 3.514 122.655 119.600 -0.765 0.000 2.129 158 M HA 0.424 4.827 4.480 -0.129 0.000 0.348 158 M C -2.243 173.926 176.300 -0.219 0.000 1.116 158 M CA -1.452 53.602 55.300 -0.410 0.000 1.022 158 M CB 1.790 34.272 32.600 -0.197 0.000 1.599 158 M HN 0.579 nan 8.290 nan 0.000 0.449 159 P HA 0.092 nan 4.420 nan 0.000 0.267 159 P C -1.226 175.997 177.300 -0.128 0.000 1.200 159 P CA 0.239 63.173 63.100 -0.275 0.000 0.772 159 P CB 0.533 31.974 31.700 -0.431 0.000 0.855 160 F N 2.642 122.285 119.950 -0.511 0.000 2.670 160 F HA 0.441 4.890 4.527 -0.129 0.000 0.332 160 F C -1.829 173.736 175.800 -0.391 0.000 1.179 160 F CA -0.807 56.995 58.000 -0.330 0.000 1.076 160 F CB 0.904 39.784 39.000 -0.200 0.000 1.322 160 F HN 0.066 nan 8.300 nan 0.000 0.515 161 F N 5.032 124.844 119.950 -0.230 0.000 2.443 161 F HA 0.605 5.054 4.527 -0.129 0.000 0.335 161 F C 0.664 176.393 175.800 -0.119 0.000 1.104 161 F CA -0.870 57.101 58.000 -0.048 0.000 1.013 161 F CB 1.351 40.321 39.000 -0.049 0.000 1.136 161 F HN 0.270 nan 8.300 nan 0.000 0.470 162 R N 1.461 122.155 120.500 0.322 0.000 2.698 162 R HA 0.392 4.655 4.340 -0.129 0.000 0.266 162 R C 0.083 176.479 176.300 0.160 0.000 1.026 162 R CA -0.309 55.957 56.100 0.276 0.000 1.102 162 R CB 0.374 30.808 30.300 0.222 0.000 0.978 162 R HN 0.768 nan 8.270 nan 0.000 0.436 163 A N 1.650 124.562 122.820 0.153 0.000 2.366 163 A HA 0.385 4.628 4.320 -0.129 0.000 0.249 163 A C 0.643 178.296 177.584 0.114 0.000 1.084 163 A CA 0.021 52.115 52.037 0.096 0.000 0.794 163 A CB 0.281 19.365 19.000 0.140 0.000 1.034 163 A HN 0.776 nan 8.150 nan 0.000 0.491 164 G N -0.650 108.175 108.800 0.041 0.000 2.630 164 G HA2 0.444 4.327 3.960 -0.129 0.000 0.236 164 G HA3 0.444 4.327 3.960 -0.129 0.000 0.236 164 G C -0.410 174.574 174.900 0.140 0.000 1.248 164 G CA 0.320 45.444 45.100 0.040 0.000 0.844 164 G HN 1.336 nan 8.290 nan 0.000 0.588 165 F N -0.262 119.620 119.950 -0.113 0.000 2.596 165 F HA 0.596 5.045 4.527 -0.129 0.000 0.311 165 F C 0.024 175.747 175.800 -0.128 0.000 1.116 165 F CA -1.784 56.150 58.000 -0.110 0.000 0.957 165 F CB 0.273 39.215 39.000 -0.096 0.000 1.250 165 F HN 0.573 nan 8.300 nan 0.000 0.444 166 V N -0.390 119.498 119.914 -0.043 0.000 3.923 166 V HA 0.209 4.252 4.120 -0.129 0.000 0.292 166 V C 1.251 177.204 176.094 -0.234 0.000 1.070 166 V CA -0.693 61.526 62.300 -0.134 0.000 1.103 166 V CB -0.311 31.482 31.823 -0.050 0.000 1.175 166 V HN 1.424 nan 8.190 nan 0.000 0.471 167 c N -1.688 116.784 118.600 -0.214 0.000 0.168 167 c HA -0.161 4.332 4.570 -0.129 0.000 0.017 167 c C -0.847 172.992 174.090 -0.418 0.000 0.171 167 c CA 0.328 56.483 56.329 -0.291 0.000 0.499 167 c CB -2.787 39.504 42.510 -0.364 0.000 3.212 167 c HN 1.151 nan 8.230 nan 0.000 1.118 168 P HA 0.009 nan 4.420 nan 0.000 0.284 168 P C 0.542 177.524 177.300 -0.531 0.000 1.746 168 P CA 1.860 64.701 63.100 -0.430 0.000 1.446 168 P CB 0.058 31.513 31.700 -0.408 0.000 0.869 169 T N -3.716 110.582 114.554 -0.427 0.000 2.227 169 T HA 0.378 4.651 4.350 -0.129 0.000 0.178 169 T C -2.524 172.083 174.700 -0.155 0.000 0.695 169 T CA -0.462 61.355 62.100 -0.472 0.000 1.318 169 T CB -0.927 67.757 68.868 -0.306 0.000 2.485 169 T HN 0.178 nan 8.240 nan 0.000 0.424 170 P HA -0.139 nan 4.420 nan 0.000 0.299 170 P C -2.833 174.607 177.300 0.235 0.000 1.964 170 P CA -0.011 63.145 63.100 0.094 0.000 1.756 170 P CB -0.788 30.947 31.700 0.058 0.000 0.253 171 P HA 0.056 nan 4.420 nan 0.000 0.260 171 P C -0.824 176.605 177.300 0.215 0.000 1.207 171 P CA 0.938 64.127 63.100 0.149 0.000 0.780 171 P CB -0.168 31.574 31.700 0.069 0.000 0.789 172 Y N 3.084 123.419 120.300 0.058 0.000 2.524 172 Y HA 0.317 4.789 4.550 -0.129 0.000 0.344 172 Y C 1.019 176.877 175.900 -0.070 0.000 1.012 172 Y CA -0.343 57.790 58.100 0.054 0.000 1.068 172 Y CB 1.884 40.511 38.460 0.277 0.000 1.249 172 Y HN 0.427 nan 8.280 nan 0.000 0.468 173 Q N 0.577 119.845 119.800 -0.886 0.000 3.062 173 Q HA 0.374 4.637 4.340 -0.129 0.000 0.214 173 Q C 0.976 176.674 176.000 -0.504 0.000 1.160 173 Q CA 0.083 55.526 55.803 -0.600 0.000 0.318 173 Q CB 0.061 28.524 28.738 -0.458 0.000 5.730 173 Q HN 0.702 nan 8.270 nan 0.000 0.318 174 S N 0.855 116.311 115.700 -0.406 0.000 3.840 174 S HA -0.285 4.107 4.470 -0.129 0.000 0.536 174 S C 0.684 175.232 174.600 -0.086 0.000 0.985 174 S CA 2.079 60.166 58.200 -0.188 0.000 3.415 174 S CB -1.467 61.664 63.200 -0.115 0.000 2.290 174 S HN 0.462 nan 8.310 nan 0.000 0.479 175 L N 1.453 122.672 121.223 -0.006 0.000 2.472 175 L HA 0.641 4.903 4.340 -0.129 0.000 0.256 175 L C 0.460 177.336 176.870 0.011 0.000 1.111 175 L CA -0.088 54.776 54.840 0.039 0.000 0.800 175 L CB 0.444 42.572 42.059 0.115 0.000 1.286 175 L HN 0.577 nan 8.230 nan 0.000 0.479 176 A N 1.296 124.142 122.820 0.043 0.000 2.440 176 A HA 0.252 4.495 4.320 -0.129 0.000 0.251 176 A C -0.006 177.604 177.584 0.044 0.000 1.089 176 A CA -0.214 51.846 52.037 0.039 0.000 0.779 176 A CB 0.058 19.162 19.000 0.172 0.000 1.022 176 A HN 0.716 nan 8.150 nan 0.000 0.492 177 R N 1.608 122.032 120.500 -0.127 0.000 2.538 177 R HA 0.099 4.362 4.340 -0.129 0.000 0.282 177 R C -0.810 175.558 176.300 0.113 0.000 1.009 177 R CA 0.495 56.536 56.100 -0.098 0.000 1.063 177 R CB 0.242 30.280 30.300 -0.436 0.000 0.945 177 R HN 0.695 nan 8.270 nan 0.000 0.414 178 E N 3.855 124.136 120.200 0.134 0.000 2.199 178 E HA 0.135 4.408 4.350 -0.129 0.000 0.265 178 E C -0.899 175.760 176.600 0.097 0.000 0.882 178 E CA -0.972 55.502 56.400 0.122 0.000 0.759 178 E CB 2.031 31.798 29.700 0.112 0.000 1.148 178 E HN 0.510 nan 8.360 nan 0.000 0.412 179 Q N 1.117 120.930 119.800 0.021 0.000 2.354 179 Q HA 0.389 4.652 4.340 -0.129 0.000 0.244 179 Q C 0.122 176.121 176.000 -0.002 0.000 0.969 179 Q CA -0.030 55.754 55.803 -0.033 0.000 0.885 179 Q CB 0.923 29.511 28.738 -0.251 0.000 1.241 179 Q HN 0.455 nan 8.270 nan 0.000 0.461 180 I N 1.397 121.950 120.570 -0.028 0.000 2.577 180 I HA 0.180 4.272 4.170 -0.129 0.000 0.300 180 I C 0.050 176.147 176.117 -0.033 0.000 0.990 180 I CA -0.533 60.742 61.300 -0.042 0.000 1.283 180 I CB 0.907 38.853 38.000 -0.091 0.000 1.411 180 I HN 0.481 nan 8.210 nan 0.000 0.515 181 N N 3.677 122.370 118.700 -0.011 0.000 2.564 181 N HA 0.362 5.025 4.740 -0.129 0.000 0.248 181 N C 0.094 175.616 175.510 0.021 0.000 0.986 181 N CA -0.384 52.676 53.050 0.017 0.000 0.921 181 N CB 1.642 40.151 38.487 0.035 0.000 1.136 181 N HN 0.678 nan 8.380 nan 0.000 0.509 182 A N 2.435 125.261 122.820 0.009 0.000 2.252 182 A HA 0.225 4.468 4.320 -0.129 0.000 0.207 182 A C 0.279 177.944 177.584 0.135 0.000 1.194 182 A CA 0.255 52.321 52.037 0.049 0.000 0.809 182 A CB 0.057 19.056 19.000 -0.001 0.000 0.814 182 A HN 0.365 nan 8.150 nan 0.000 0.482 183 V N -0.581 119.417 119.914 0.140 0.000 3.074 183 V HA 0.421 4.464 4.120 -0.129 0.000 0.314 183 V C 0.454 176.618 176.094 0.116 0.000 1.117 183 V CA -0.265 62.122 62.300 0.145 0.000 1.014 183 V CB 2.137 34.065 31.823 0.174 0.000 1.057 183 V HN 0.423 nan 8.190 nan 0.000 0.438 184 T N -0.693 113.944 114.554 0.138 0.000 2.897 184 T HA 0.195 4.467 4.350 -0.129 0.000 0.294 184 T C 0.945 175.679 174.700 0.057 0.000 1.004 184 T CA -0.046 62.140 62.100 0.144 0.000 1.106 184 T CB 1.228 70.264 68.868 0.279 0.000 0.949 184 T HN 0.519 nan 8.240 nan 0.000 0.520 185 S N 1.303 116.900 115.700 -0.172 0.000 2.489 185 S HA 0.174 4.567 4.470 -0.129 0.000 0.228 185 S C 0.101 174.520 174.600 -0.302 0.000 0.995 185 S CA 0.147 58.155 58.200 -0.320 0.000 0.934 185 S CB -0.495 62.403 63.200 -0.503 0.000 0.771 185 S HN 0.680 nan 8.310 nan 0.000 0.522 186 F N 0.928 120.983 119.950 0.175 0.000 2.379 186 F HA 0.382 4.831 4.527 -0.130 0.000 0.332 186 F C 0.427 176.382 175.800 0.257 0.000 1.096 186 F CA -1.040 57.096 58.000 0.226 0.000 1.105 186 F CB 0.393 39.536 39.000 0.240 0.000 1.189 186 F HN -0.125 nan 8.300 nan 0.000 0.515 187 L N 3.464 124.989 121.223 0.504 0.000 2.536 187 L HA 0.065 4.328 4.340 -0.129 0.000 0.282 187 L C -0.198 176.909 176.870 0.395 0.000 1.147 187 L CA 0.259 55.371 54.840 0.453 0.000 0.936 187 L CB -0.371 42.026 42.059 0.563 0.000 1.279 187 L HN 0.783 nan 8.230 nan 0.000 0.461 188 D N 1.930 122.529 120.400 0.333 0.000 2.594 188 D HA 0.125 4.688 4.640 -0.129 0.000 0.256 188 D C 0.634 177.090 176.300 0.259 0.000 1.393 188 D CA 0.219 54.383 54.000 0.274 0.000 0.797 188 D CB 0.432 41.388 40.800 0.260 0.000 1.110 188 D HN 0.337 nan 8.370 nan 0.000 0.495 189 A N 0.866 123.840 122.820 0.257 0.000 2.822 189 A HA -0.239 4.003 4.320 -0.129 0.000 0.287 189 A C 1.751 179.491 177.584 0.260 0.000 1.479 189 A CA 1.163 53.345 52.037 0.242 0.000 0.779 189 A CB -2.611 16.581 19.000 0.320 0.000 1.022 189 A HN 0.827 nan 8.150 nan 0.000 0.532 190 S N -0.560 115.272 115.700 0.221 0.000 2.474 190 S HA -0.076 4.316 4.470 -0.129 0.000 0.235 190 S C 1.709 176.384 174.600 0.125 0.000 0.997 190 S CA 1.222 59.541 58.200 0.199 0.000 0.949 190 S CB -0.796 62.513 63.200 0.182 0.000 0.766 190 S HN 1.789 nan 8.310 nan 0.000 0.517 191 L N -0.877 120.398 121.223 0.088 0.000 2.376 191 L HA 0.213 4.475 4.340 -0.129 0.000 0.219 191 L C 1.787 178.695 176.870 0.064 0.000 1.133 191 L CA 0.593 55.477 54.840 0.074 0.000 0.816 191 L CB -0.351 41.729 42.059 0.036 0.000 0.933 191 L HN 0.177 nan 8.230 nan 0.000 0.449 192 V N -0.987 118.892 119.914 -0.058 0.000 2.672 192 V HA -0.032 4.010 4.120 -0.129 0.000 0.242 192 V C 1.612 177.455 176.094 -0.419 0.000 1.059 192 V CA 0.965 63.093 62.300 -0.287 0.000 1.081 192 V CB -0.374 31.105 31.823 -0.573 0.000 0.752 192 V HN 0.382 nan 8.190 nan 0.000 0.472 193 Y N 0.732 121.051 120.300 0.032 0.000 2.449 193 Y HA 0.568 5.035 4.550 -0.138 0.000 0.254 193 Y C 1.358 177.281 175.900 0.038 0.000 1.140 193 Y CA 0.450 58.579 58.100 0.049 0.000 1.272 193 Y CB 0.414 38.914 38.460 0.068 0.000 1.114 193 Y HN 0.328 nan 8.280 nan 0.000 0.525 194 G N -0.123 108.745 108.800 0.113 0.000 2.707 194 G HA2 -0.193 3.689 3.960 -0.129 0.000 0.686 194 G HA3 -0.193 3.689 3.960 -0.129 0.000 0.686 194 G C 0.353 175.306 174.900 0.089 0.000 1.315 194 G CA -0.145 44.981 45.100 0.043 0.000 0.832 194 G HN 0.049 nan 8.290 nan 0.000 0.573 195 S N 0.008 115.744 115.700 0.060 0.000 2.505 195 S HA 0.259 4.651 4.470 -0.129 0.000 0.216 195 S C 0.660 175.304 174.600 0.074 0.000 1.018 195 S CA 0.979 59.232 58.200 0.087 0.000 0.911 195 S CB 0.150 63.406 63.200 0.094 0.000 0.818 195 S HN 0.555 nan 8.310 nan 0.000 0.497 196 E N 1.250 121.481 120.200 0.052 0.000 2.256 196 E HA 0.387 4.659 4.350 -0.129 0.000 0.267 196 E C -2.704 173.919 176.600 0.039 0.000 0.892 196 E CA -2.416 54.013 56.400 0.048 0.000 0.775 196 E CB 1.537 31.267 29.700 0.050 0.000 1.207 196 E HN -0.012 nan 8.360 nan 0.000 0.420 200 A N 0.050 122.876 122.820 0.010 0.000 1.940 200 A HA -0.189 4.054 4.320 -0.129 0.000 0.219 200 A C 2.342 179.918 177.584 -0.014 0.000 1.176 200 A CA 2.736 54.794 52.037 0.036 0.000 0.631 200 A CB -0.937 18.104 19.000 0.069 0.000 0.814 200 A HN 0.679 nan 8.150 nan 0.000 0.446 201 S N -0.504 115.173 115.700 -0.039 0.000 2.345 201 S HA -0.216 4.176 4.470 -0.129 0.000 0.220 201 S C 2.203 176.770 174.600 -0.055 0.000 1.031 201 S CA 1.375 59.532 58.200 -0.073 0.000 0.996 201 S CB -0.484 62.684 63.200 -0.054 0.000 0.882 201 S HN 0.603 nan 8.310 nan 0.000 0.445 202 R N -0.061 120.423 120.500 -0.027 0.000 2.113 202 R HA -0.135 4.128 4.340 -0.129 0.000 0.244 202 R C 2.076 178.362 176.300 -0.024 0.000 1.142 202 R CA 1.926 58.017 56.100 -0.015 0.000 0.953 202 R CB -0.596 29.706 30.300 0.005 0.000 0.860 202 R HN 0.420 nan 8.270 nan 0.000 0.438 203 L N 1.349 122.555 121.223 -0.029 0.000 2.127 203 L HA -0.103 4.160 4.340 -0.129 0.000 0.211 203 L C 0.919 177.761 176.870 -0.045 0.000 1.089 203 L CA 1.486 56.304 54.840 -0.036 0.000 0.757 203 L CB -0.877 41.165 42.059 -0.029 0.000 0.899 203 L HN 0.286 nan 8.230 nan 0.000 0.434 204 Q N 0.030 119.792 119.800 -0.063 0.000 2.394 204 Q HA 0.040 4.303 4.340 -0.129 0.000 0.248 204 Q C 0.162 176.128 176.000 -0.056 0.000 0.992 204 Q CA -0.322 55.429 55.803 -0.085 0.000 0.888 204 Q CB 0.505 29.118 28.738 -0.208 0.000 1.257 204 Q HN 0.073 nan 8.270 nan 0.000 0.462 205 N N 2.465 121.147 118.700 -0.029 0.000 2.420 205 N HA 0.135 4.798 4.740 -0.129 0.000 0.249 205 N C -0.777 174.725 175.510 -0.013 0.000 1.033 205 N CA 0.075 53.121 53.050 -0.006 0.000 0.944 205 N CB 0.379 38.879 38.487 0.023 0.000 1.113 205 N HN 0.551 nan 8.380 nan 0.000 0.502 206 L N 2.174 123.384 121.223 -0.021 0.000 3.168 206 L HA 0.224 4.486 4.340 -0.129 0.000 0.277 206 L C 1.154 178.020 176.870 -0.007 0.000 1.245 206 L CA -0.060 54.765 54.840 -0.025 0.000 1.035 206 L CB 0.311 42.341 42.059 -0.048 0.000 1.399 206 L HN 0.374 nan 8.230 nan 0.000 0.580 207 S N -0.500 115.202 115.700 0.005 0.000 2.478 207 S HA 0.069 4.461 4.470 -0.129 0.000 0.222 207 S C 0.849 175.460 174.600 0.017 0.000 1.008 207 S CA 0.234 58.441 58.200 0.012 0.000 0.928 207 S CB 0.218 63.429 63.200 0.018 0.000 0.781 207 S HN 0.529 nan 8.310 nan 0.000 0.518 208 S N 1.048 116.761 115.700 0.021 0.000 2.570 208 S HA 0.525 4.918 4.470 -0.129 0.000 0.286 208 S C -2.921 171.697 174.600 0.031 0.000 1.099 208 S CA -1.359 56.857 58.200 0.028 0.000 0.913 208 S CB 1.804 65.025 63.200 0.035 0.000 1.085 208 S HN -0.018 nan 8.310 nan 0.000 0.480 209 P HA 0.296 nan 4.420 nan 0.000 0.253 209 P C 0.321 177.658 177.300 0.061 0.000 1.459 209 P CA -0.146 62.979 63.100 0.043 0.000 0.908 209 P CB -0.317 31.407 31.700 0.041 0.000 1.470 210 L N -1.227 120.035 121.223 0.065 0.000 2.599 210 L HA 0.274 4.537 4.340 -0.129 0.000 0.230 210 L C 1.375 178.310 176.870 0.108 0.000 1.141 210 L CA 0.596 55.483 54.840 0.079 0.000 0.877 210 L CB -0.968 41.132 42.059 0.068 0.000 1.009 210 L HN 0.098 nan 8.230 nan 0.000 0.447 211 G N 1.261 110.133 108.800 0.120 0.000 2.314 211 G HA2 -0.258 3.624 3.960 -0.129 0.000 0.292 211 G HA3 -0.258 3.624 3.960 -0.129 0.000 0.292 211 G C -0.165 174.912 174.900 0.295 0.000 1.059 211 G CA 0.012 45.227 45.100 0.192 0.000 0.982 211 G HN 0.226 nan 8.290 nan 0.000 0.505 212 L N -0.231 121.122 121.223 0.217 0.000 2.332 212 L HA 0.691 4.954 4.340 -0.129 0.000 0.269 212 L C 0.951 177.899 176.870 0.129 0.000 1.016 212 L CA -1.405 53.573 54.840 0.230 0.000 0.809 212 L CB 1.340 43.481 42.059 0.137 0.000 1.280 212 L HN 0.098 nan 8.230 nan 0.000 0.447 213 M N 1.081 120.697 119.600 0.026 0.000 2.359 213 M HA 0.378 4.781 4.480 -0.129 0.000 0.322 213 M C 0.125 176.399 176.300 -0.044 0.000 1.166 213 M CA -0.491 54.755 55.300 -0.089 0.000 1.067 213 M CB 1.390 33.837 32.600 -0.256 0.000 1.523 213 M HN 0.644 nan 8.290 nan 0.000 0.467 214 A N 2.203 124.990 122.820 -0.055 0.000 2.425 214 A HA 0.515 4.758 4.320 -0.129 0.000 0.249 214 A C -0.089 177.447 177.584 -0.080 0.000 1.084 214 A CA -0.502 51.507 52.037 -0.047 0.000 0.781 214 A CB 0.018 18.994 19.000 -0.041 0.000 1.019 214 A HN 0.768 nan 8.150 nan 0.000 0.490 215 V N 1.113 120.973 119.914 -0.090 0.000 3.001 215 V HA 0.512 4.555 4.120 -0.129 0.000 0.314 215 V C 0.209 176.164 176.094 -0.232 0.000 1.099 215 V CA -1.416 60.775 62.300 -0.183 0.000 0.989 215 V CB 1.697 33.381 31.823 -0.232 0.000 1.040 215 V HN 0.891 nan 8.190 nan 0.000 0.434 216 N N 2.205 120.693 118.700 -0.355 0.000 2.412 216 N HA 0.036 4.699 4.740 -0.129 0.000 0.254 216 N C 0.443 175.717 175.510 -0.394 0.000 1.232 216 N CA 0.284 53.086 53.050 -0.413 0.000 0.880 216 N CB 1.262 39.421 38.487 -0.546 0.000 1.076 216 N HN 0.808 nan 8.380 nan 0.000 0.458 217 Q N 2.253 121.947 119.800 -0.177 0.000 2.378 217 Q HA 0.051 4.314 4.340 -0.129 0.000 0.216 217 Q C 0.691 176.756 176.000 0.108 0.000 0.892 217 Q CA 0.509 56.334 55.803 0.037 0.000 0.931 217 Q CB 0.369 29.161 28.738 0.089 0.000 1.086 217 Q HN 0.613 nan 8.270 nan 0.000 0.528 218 E N 0.813 121.014 120.200 0.003 0.000 2.190 218 E HA 0.142 4.415 4.350 -0.129 0.000 0.191 218 E C 0.014 176.697 176.600 0.139 0.000 0.978 218 E CA 0.553 57.019 56.400 0.110 0.000 0.839 218 E CB 0.463 30.269 29.700 0.178 0.000 0.787 218 E HN 0.212 nan 8.360 nan 0.000 0.473 219 A N -0.497 122.319 122.820 -0.007 0.000 2.401 219 A HA 0.669 4.911 4.320 -0.129 0.000 0.310 219 A C -1.642 175.895 177.584 -0.078 0.000 1.075 219 A CA -0.625 51.491 52.037 0.131 0.000 0.746 219 A CB 0.790 19.918 19.000 0.215 0.000 1.277 219 A HN 0.149 nan 8.150 nan 0.000 0.425 220 W N -0.153 121.241 121.300 0.157 0.000 2.950 220 W HA 0.545 5.126 4.660 -0.132 0.000 0.340 220 W C -0.988 175.352 176.519 -0.298 0.000 1.139 220 W CA -0.004 57.272 57.345 -0.115 0.000 1.188 220 W CB 2.012 31.423 29.460 -0.081 0.000 1.426 220 W HN 0.636 nan 8.180 nan 0.000 0.531 221 D N 0.539 120.711 120.400 -0.379 0.000 2.432 221 D HA 0.223 4.785 4.640 -0.129 0.000 0.265 221 D C -0.393 175.844 176.300 -0.105 0.000 1.160 221 D CA -0.376 53.364 54.000 -0.434 0.000 0.911 221 D CB -0.400 39.920 40.800 -0.800 0.000 1.052 221 D HN 0.576 nan 8.370 nan 0.000 0.508 222 H N 1.978 121.089 119.070 0.069 0.000 2.655 222 H HA -0.193 4.285 4.556 -0.130 0.000 0.313 222 H C 1.406 176.802 175.328 0.114 0.000 1.141 222 H CA 0.918 57.009 56.048 0.072 0.000 1.138 222 H CB -1.146 28.644 29.762 0.047 0.000 1.446 222 H HN 0.698 nan 8.280 nan 0.000 0.415 223 G N -1.289 107.612 108.800 0.168 0.000 2.184 223 G HA2 -0.338 3.544 3.960 -0.129 0.000 0.264 223 G HA3 -0.338 3.544 3.960 -0.129 0.000 0.264 223 G C 0.276 175.302 174.900 0.210 0.000 0.975 223 G CA 0.396 45.553 45.100 0.096 0.000 0.642 223 G HN 0.487 nan 8.290 nan 0.000 0.536 224 L N 0.593 121.935 121.223 0.200 0.000 2.360 224 L HA 0.784 5.047 4.340 -0.129 0.000 0.271 224 L C 1.044 177.920 176.870 0.009 0.000 1.057 224 L CA -0.496 54.393 54.840 0.082 0.000 0.803 224 L CB 1.524 43.560 42.059 -0.038 0.000 1.207 224 L HN 0.281 nan 8.230 nan 0.000 0.445 225 A N 1.688 124.451 122.820 -0.095 0.000 2.287 225 A HA 0.557 4.799 4.320 -0.129 0.000 0.273 225 A C -1.046 176.252 177.584 -0.478 0.000 1.091 225 A CA -0.001 51.807 52.037 -0.382 0.000 0.817 225 A CB 0.343 19.194 19.000 -0.248 0.000 1.069 225 A HN 0.616 nan 8.150 nan 0.000 0.492 226 Y N -0.979 119.040 120.300 -0.469 0.000 2.633 226 Y HA 0.491 4.963 4.550 -0.129 0.000 0.339 226 Y C 0.143 175.779 175.900 -0.439 0.000 1.045 226 Y CA -1.016 56.823 58.100 -0.435 0.000 1.098 226 Y CB 1.676 39.891 38.460 -0.409 0.000 1.296 226 Y HN 0.533 nan 8.280 nan 0.000 0.494 227 L N 3.058 124.098 121.223 -0.306 0.000 2.464 227 L HA 0.247 4.510 4.340 -0.129 0.000 0.264 227 L C -2.271 174.533 176.870 -0.110 0.000 1.199 227 L CA -1.678 53.017 54.840 -0.242 0.000 0.818 227 L CB 0.273 42.138 42.059 -0.323 0.000 1.102 227 L HN 0.292 nan 8.230 nan 0.000 0.473 228 P HA 0.087 nan 4.420 nan 0.000 0.272 228 P C -0.829 176.505 177.300 0.057 0.000 1.240 228 P CA -0.200 62.843 63.100 -0.095 0.000 0.791 228 P CB 0.404 32.083 31.700 -0.034 0.000 0.978 229 F N 0.220 120.220 119.950 0.082 0.000 2.368 229 F HA 0.319 4.769 4.527 -0.128 0.000 0.315 229 F C 1.254 177.071 175.800 0.027 0.000 1.145 229 F CA -0.418 57.597 58.000 0.026 0.000 1.095 229 F CB -0.041 38.943 39.000 -0.027 0.000 1.286 229 F HN 0.196 nan 8.300 nan 0.000 0.530 230 N N 1.111 119.952 118.700 0.236 0.000 2.473 230 N HA 0.087 4.750 4.740 -0.129 0.000 0.291 230 N C 0.754 176.321 175.510 0.096 0.000 1.083 230 N CA -0.110 53.026 53.050 0.143 0.000 0.951 230 N CB 0.854 39.413 38.487 0.122 0.000 1.164 230 N HN 0.455 nan 8.380 nan 0.000 0.480 231 N N 1.776 120.525 118.700 0.082 0.000 2.104 231 N HA -0.177 4.486 4.740 -0.129 0.000 0.190 231 N C -0.152 175.372 175.510 0.023 0.000 1.024 231 N CA 0.718 53.800 53.050 0.052 0.000 0.853 231 N CB -0.171 38.345 38.487 0.048 0.000 1.008 231 N HN 0.651 nan 8.380 nan 0.000 0.424 232 R N 1.465 121.977 120.500 0.020 0.000 2.584 232 R HA -0.045 4.217 4.340 -0.129 0.000 0.315 232 R C -0.742 175.540 176.300 -0.031 0.000 0.863 232 R CA 0.835 56.927 56.100 -0.013 0.000 1.139 232 R CB -0.146 30.140 30.300 -0.023 0.000 0.880 232 R HN -0.023 nan 8.270 nan 0.000 0.413 233 K N 4.600 124.976 120.400 -0.039 0.000 2.507 233 K HA 0.360 4.603 4.320 -0.129 0.000 0.251 233 K C -1.998 174.569 176.600 -0.056 0.000 0.943 233 K CA -1.959 54.302 56.287 -0.043 0.000 0.794 233 K CB 1.952 34.433 32.500 -0.032 0.000 1.188 233 K HN 0.665 nan 8.250 nan 0.000 0.428 234 P HA 0.098 nan 4.420 nan 0.000 0.271 234 P C -0.829 176.429 177.300 -0.070 0.000 1.244 234 P CA -0.417 62.643 63.100 -0.067 0.000 0.793 234 P CB 1.039 32.684 31.700 -0.091 0.000 0.984 235 S N -0.067 115.604 115.700 -0.048 0.000 2.619 235 S HA 0.467 4.860 4.470 -0.129 0.000 0.280 235 S C -2.166 172.436 174.600 0.003 0.000 1.150 235 S CA -1.291 56.885 58.200 -0.040 0.000 0.978 235 S CB 1.477 64.651 63.200 -0.044 0.000 1.041 235 S HN 0.132 nan 8.310 nan 0.000 0.485 236 P HA 0.056 nan 4.420 nan 0.000 0.217 236 P C 1.211 178.578 177.300 0.112 0.000 1.151 236 P CA 0.818 63.948 63.100 0.049 0.000 0.828 236 P CB -0.052 31.503 31.700 -0.241 0.000 0.788 237 c N -0.521 118.136 118.600 0.096 0.000 2.419 237 c HA -0.084 4.409 4.570 -0.129 0.000 0.283 237 c C 2.615 176.723 174.090 0.028 0.000 1.373 237 c CA 0.711 57.093 56.329 0.088 0.000 1.781 237 c CB -1.676 40.847 42.510 0.021 0.000 1.886 237 c HN 0.365 nan 8.230 nan 0.000 0.520 238 E N -0.207 120.001 120.200 0.013 0.000 2.122 238 E HA -0.103 4.169 4.350 -0.129 0.000 0.190 238 E C 1.745 178.370 176.600 0.042 0.000 0.977 238 E CA 0.529 56.919 56.400 -0.016 0.000 0.820 238 E CB -0.171 29.508 29.700 -0.034 0.000 0.770 238 E HN 0.636 nan 8.360 nan 0.000 0.462 239 F N 0.556 120.483 119.950 -0.038 0.000 2.451 239 F HA -0.052 4.397 4.527 -0.130 0.000 0.299 239 F C 1.548 177.346 175.800 -0.004 0.000 1.101 239 F CA 0.571 58.569 58.000 -0.004 0.000 1.436 239 F CB 0.148 39.179 39.000 0.052 0.000 1.074 239 F HN 0.034 nan 8.300 nan 0.000 0.553 240 I N 0.422 120.928 120.570 -0.107 0.000 2.928 240 I HA -0.076 4.016 4.170 -0.129 0.000 0.266 240 I C 0.293 176.317 176.117 -0.155 0.000 1.234 240 I CA 0.724 61.928 61.300 -0.160 0.000 1.483 240 I CB -0.276 37.710 38.000 -0.024 0.000 1.097 240 I HN 0.176 nan 8.210 nan 0.000 0.455 241 N N -0.765 117.818 118.700 -0.195 0.000 2.976 241 N HA 0.009 4.672 4.740 -0.129 0.000 0.220 241 N C 0.721 176.077 175.510 -0.257 0.000 1.428 241 N CA 0.473 53.342 53.050 -0.301 0.000 0.748 241 N CB 0.525 38.667 38.487 -0.576 0.000 1.484 241 N HN 0.034 nan 8.380 nan 0.000 0.578 242 T N -1.628 112.797 114.554 -0.214 0.000 2.869 242 T HA -0.141 4.131 4.350 -0.129 0.000 0.270 242 T C 1.555 176.166 174.700 -0.148 0.000 1.082 242 T CA 1.717 63.729 62.100 -0.147 0.000 1.123 242 T CB -0.090 68.711 68.868 -0.111 0.000 0.856 242 T HN 0.281 nan 8.240 nan 0.000 0.499 243 T N 1.825 116.262 114.554 -0.195 0.000 2.770 243 T HA 0.222 4.494 4.350 -0.129 0.000 0.258 243 T C 2.561 177.142 174.700 -0.198 0.000 1.039 243 T CA 0.956 62.945 62.100 -0.185 0.000 1.143 243 T CB -0.692 68.049 68.868 -0.213 0.000 0.866 243 T HN 0.542 nan 8.240 nan 0.000 0.428 244 A N 1.063 123.712 122.820 -0.285 0.000 1.877 244 A HA -0.003 4.240 4.320 -0.129 0.000 0.216 244 A C 1.069 178.555 177.584 -0.162 0.000 1.186 244 A CA 1.113 53.000 52.037 -0.251 0.000 0.620 244 A CB -0.448 18.312 19.000 -0.398 0.000 0.822 244 A HN 0.564 nan 8.150 nan 0.000 0.443 245 R N -1.954 118.448 120.500 -0.164 0.000 3.152 245 R HA -0.115 4.147 4.340 -0.129 0.000 0.252 245 R C -1.292 174.888 176.300 -0.201 0.000 0.930 245 R CA 0.463 56.474 56.100 -0.147 0.000 0.642 245 R CB -2.060 28.168 30.300 -0.120 0.000 1.205 245 R HN 0.234 nan 8.270 nan 0.000 0.452 246 V N 2.296 122.079 119.914 -0.219 0.000 2.334 246 V HA 0.332 4.375 4.120 -0.129 0.000 0.281 246 V C -1.251 174.558 176.094 -0.476 0.000 1.016 246 V CA -1.670 60.386 62.300 -0.407 0.000 0.832 246 V CB 1.624 33.314 31.823 -0.222 0.000 0.999 246 V HN 0.200 nan 8.190 nan 0.000 0.439 247 P HA 0.150 nan 4.420 nan 0.000 0.274 247 P C 0.067 177.110 177.300 -0.427 0.000 1.260 247 P CA -0.312 62.518 63.100 -0.449 0.000 0.793 247 P CB 0.729 32.195 31.700 -0.390 0.000 1.048 248 c N -0.355 118.127 118.600 -0.198 0.000 2.633 248 c HA 0.293 4.785 4.570 -0.129 0.000 0.345 248 c C 1.049 175.054 174.090 -0.142 0.000 1.384 248 c CA -0.092 56.144 56.329 -0.156 0.000 2.418 248 c CB -1.205 41.347 42.510 0.069 0.000 2.425 248 c HN 0.383 nan 8.230 nan 0.000 0.705 249 F N 0.260 120.288 119.950 0.130 0.000 2.380 249 F HA 0.568 5.021 4.527 -0.125 0.000 0.321 249 F C 0.215 176.045 175.800 0.051 0.000 1.103 249 F CA -0.714 57.349 58.000 0.104 0.000 1.067 249 F CB 0.408 39.413 39.000 0.009 0.000 1.265 249 F HN 0.209 nan 8.300 nan 0.000 0.517 250 L N 1.763 123.131 121.223 0.243 0.000 2.305 250 L HA 0.782 5.045 4.340 -0.129 0.000 0.284 250 L C -0.545 176.325 176.870 -0.000 0.000 1.013 250 L CA -0.032 54.872 54.840 0.106 0.000 0.819 250 L CB 0.541 42.657 42.059 0.095 0.000 1.227 250 L HN 0.712 nan 8.230 nan 0.000 0.417 251 A N 2.885 125.652 122.820 -0.089 0.000 2.552 251 A HA 0.651 4.893 4.320 -0.129 0.000 0.288 251 A C 0.829 178.303 177.584 -0.184 0.000 1.193 251 A CA -0.101 51.847 52.037 -0.149 0.000 0.713 251 A CB 0.702 19.526 19.000 -0.294 0.000 1.305 251 A HN 0.767 nan 8.150 nan 0.000 0.424 252 G N -0.922 107.807 108.800 -0.119 0.000 2.498 252 G HA2 0.136 4.019 3.960 -0.129 0.000 0.219 252 G HA3 0.136 4.019 3.960 -0.129 0.000 0.219 252 G C 0.186 174.977 174.900 -0.182 0.000 1.119 252 G CA 1.522 46.548 45.100 -0.123 0.000 0.766 252 G HN 0.856 nan 8.290 nan 0.000 0.552 253 D N -2.255 118.050 120.400 -0.158 0.000 2.629 253 D HA 0.420 4.982 4.640 -0.129 0.000 0.250 253 D C 0.668 176.834 176.300 -0.224 0.000 1.126 253 D CA -0.874 53.015 54.000 -0.185 0.000 0.852 253 D CB 0.993 41.771 40.800 -0.037 0.000 1.335 253 D HN -0.024 nan 8.370 nan 0.000 0.518 254 F N 1.568 121.459 119.950 -0.098 0.000 2.307 254 F HA -0.049 4.402 4.527 -0.126 0.000 0.301 254 F C 2.056 177.783 175.800 -0.121 0.000 1.076 254 F CA 0.515 58.469 58.000 -0.076 0.000 1.383 254 F CB 0.115 39.125 39.000 0.018 0.000 1.055 254 F HN 0.305 nan 8.300 nan 0.000 0.526 255 R N -0.011 120.432 120.500 -0.095 0.000 2.313 255 R HA 0.100 4.363 4.340 -0.129 0.000 0.199 255 R C 2.229 178.502 176.300 -0.045 0.000 0.958 255 R CA 0.437 56.466 56.100 -0.119 0.000 1.047 255 R CB -0.338 29.734 30.300 -0.380 0.000 0.955 255 R HN 0.198 nan 8.270 nan 0.000 0.481 256 A N 0.857 123.611 122.820 -0.110 0.000 1.958 256 A HA -0.208 4.035 4.320 -0.129 0.000 0.221 256 A C 1.828 179.352 177.584 -0.100 0.000 1.178 256 A CA 1.954 53.828 52.037 -0.272 0.000 0.642 256 A CB -0.255 18.285 19.000 -0.766 0.000 0.816 256 A HN 0.242 nan 8.150 nan 0.000 0.453 257 S N -0.543 115.129 115.700 -0.047 0.000 2.634 257 S HA 0.054 4.447 4.470 -0.129 0.000 0.221 257 S C 1.442 175.831 174.600 -0.352 0.000 0.952 257 S CA 0.245 58.425 58.200 -0.033 0.000 0.930 257 S CB 0.172 63.434 63.200 0.103 0.000 0.780 257 S HN 0.638 nan 8.310 nan 0.000 0.498 258 E N 2.172 122.077 120.200 -0.491 0.000 2.118 258 E HA -0.197 4.076 4.350 -0.129 0.000 0.195 258 E C 0.433 176.764 176.600 -0.448 0.000 0.992 258 E CA 1.267 57.143 56.400 -0.873 0.000 0.804 258 E CB 0.169 29.631 29.700 -0.397 0.000 0.741 258 E HN 0.767 nan 8.360 nan 0.000 0.458 259 Q N -1.544 118.161 119.800 -0.159 0.000 2.418 259 Q HA 0.316 4.579 4.340 -0.129 0.000 0.282 259 Q C 0.708 176.691 176.000 -0.027 0.000 1.044 259 Q CA -0.401 55.397 55.803 -0.008 0.000 0.813 259 Q CB 0.706 29.513 28.738 0.116 0.000 1.428 259 Q HN -0.022 nan 8.270 nan 0.000 0.402 260 I N 0.713 121.257 120.570 -0.044 0.000 2.151 260 I HA -0.249 3.843 4.170 -0.129 0.000 0.243 260 I C 0.947 177.053 176.117 -0.019 0.000 1.080 260 I CA 1.431 62.707 61.300 -0.041 0.000 1.339 260 I CB 0.107 38.042 38.000 -0.108 0.000 1.039 260 I HN 0.835 nan 8.210 nan 0.000 0.409 261 L N 0.111 121.321 121.223 -0.022 0.000 2.362 261 L HA -0.147 4.116 4.340 -0.129 0.000 0.219 261 L C 1.929 178.808 176.870 0.014 0.000 1.134 261 L CA 1.387 56.225 54.840 -0.004 0.000 0.807 261 L CB -0.828 41.232 42.059 0.001 0.000 0.927 261 L HN 0.363 nan 8.230 nan 0.000 0.447 262 L N -1.071 120.159 121.223 0.012 0.000 2.202 262 L HA 0.141 4.404 4.340 -0.129 0.000 0.205 262 L C 2.438 179.367 176.870 0.098 0.000 1.083 262 L CA 1.630 56.486 54.840 0.028 0.000 0.790 262 L CB -0.733 41.327 42.059 0.000 0.000 0.942 262 L HN 0.092 nan 8.230 nan 0.000 0.452 263 A N -0.846 122.018 122.820 0.073 0.000 1.940 263 A HA -0.194 4.049 4.320 -0.129 0.000 0.219 263 A C 2.215 179.800 177.584 0.001 0.000 1.176 263 A CA 2.315 54.391 52.037 0.065 0.000 0.631 263 A CB -1.291 17.795 19.000 0.144 0.000 0.814 263 A HN 0.517 nan 8.150 nan 0.000 0.446 264 T N 0.465 115.022 114.554 0.006 0.000 2.652 264 T HA -0.122 4.150 4.350 -0.129 0.000 0.267 264 T C 2.255 176.975 174.700 0.033 0.000 1.039 264 T CA 2.000 64.099 62.100 -0.002 0.000 1.153 264 T CB -0.605 68.270 68.868 0.013 0.000 0.863 264 T HN 0.640 nan 8.240 nan 0.000 0.428 265 A N 1.423 124.286 122.820 0.072 0.000 1.883 265 A HA -0.229 4.014 4.320 -0.129 0.000 0.217 265 A C 2.149 179.756 177.584 0.039 0.000 1.186 265 A CA 1.683 53.784 52.037 0.107 0.000 0.624 265 A CB -1.018 18.043 19.000 0.101 0.000 0.822 265 A HN 0.587 nan 8.150 nan 0.000 0.444 266 H N -0.879 118.172 119.070 -0.032 0.000 2.353 266 H HA -0.137 4.344 4.556 -0.126 0.000 0.298 266 H C 2.507 177.766 175.328 -0.116 0.000 1.103 266 H CA 2.177 58.179 56.048 -0.076 0.000 1.293 266 H CB -0.310 29.394 29.762 -0.096 0.000 1.372 266 H HN 0.604 nan 8.280 nan 0.000 0.501 267 T N -0.159 114.381 114.554 -0.024 0.000 2.985 267 T HA -0.059 4.213 4.350 -0.129 0.000 0.266 267 T C 2.066 176.713 174.700 -0.089 0.000 1.076 267 T CA 0.317 62.352 62.100 -0.109 0.000 1.135 267 T CB -0.130 68.626 68.868 -0.187 0.000 0.890 267 T HN -0.011 nan 8.240 nan 0.000 0.480 268 L N 0.835 122.024 121.223 -0.057 0.000 2.093 268 L HA 0.222 4.484 4.340 -0.129 0.000 0.208 268 L C 2.467 179.272 176.870 -0.109 0.000 1.085 268 L CA 1.306 56.096 54.840 -0.084 0.000 0.755 268 L CB -0.830 41.198 42.059 -0.052 0.000 0.904 268 L HN 0.340 nan 8.230 nan 0.000 0.435 269 L N -1.626 119.555 121.223 -0.069 0.000 2.056 269 L HA -0.230 4.033 4.340 -0.129 0.000 0.207 269 L C 2.482 179.290 176.870 -0.104 0.000 1.078 269 L CA 0.873 55.664 54.840 -0.081 0.000 0.749 269 L CB -0.503 41.524 42.059 -0.053 0.000 0.901 269 L HN 0.252 nan 8.230 nan 0.000 0.433 270 L N -0.049 121.108 121.223 -0.111 0.000 2.012 270 L HA -0.233 4.030 4.340 -0.129 0.000 0.210 270 L C 2.800 179.628 176.870 -0.069 0.000 1.073 270 L CA 1.684 56.452 54.840 -0.120 0.000 0.748 270 L CB -0.353 41.625 42.059 -0.135 0.000 0.891 270 L HN 0.078 nan 8.230 nan 0.000 0.431 271 R N -0.671 119.772 120.500 -0.095 0.000 2.103 271 R HA -0.244 4.018 4.340 -0.129 0.000 0.242 271 R C 2.242 178.484 176.300 -0.097 0.000 1.142 271 R CA 1.624 57.668 56.100 -0.095 0.000 0.960 271 R CB -0.421 29.804 30.300 -0.126 0.000 0.858 271 R HN 0.386 nan 8.270 nan 0.000 0.439 272 E N 0.006 120.124 120.200 -0.138 0.000 2.153 272 E HA -0.221 4.051 4.350 -0.129 0.000 0.194 272 E C 1.642 178.169 176.600 -0.123 0.000 0.988 272 E CA 1.715 58.000 56.400 -0.191 0.000 0.811 272 E CB -0.148 29.370 29.700 -0.304 0.000 0.746 272 E HN 0.488 nan 8.360 nan 0.000 0.466 273 H N -0.248 118.744 119.070 -0.130 0.000 2.256 273 H HA -0.047 4.436 4.556 -0.122 0.000 0.299 273 H C 1.753 177.047 175.328 -0.057 0.000 1.071 273 H CA 2.200 58.208 56.048 -0.067 0.000 1.280 273 H CB -0.189 29.560 29.762 -0.021 0.000 1.370 273 H HN 0.115 nan 8.280 nan 0.000 0.490 274 N N 0.406 119.229 118.700 0.207 0.000 2.094 274 N HA -0.190 4.473 4.740 -0.129 0.000 0.191 274 N C 2.038 177.542 175.510 -0.011 0.000 1.023 274 N CA 1.350 54.482 53.050 0.137 0.000 0.857 274 N CB -0.436 38.111 38.487 0.100 0.000 1.013 274 N HN 0.411 nan 8.380 nan 0.000 0.426 275 R N 0.119 120.582 120.500 -0.062 0.000 2.073 275 R HA -0.063 4.199 4.340 -0.129 0.000 0.234 275 R C 1.690 177.907 176.300 -0.137 0.000 1.134 275 R CA 0.945 56.984 56.100 -0.101 0.000 0.952 275 R CB -0.264 29.956 30.300 -0.134 0.000 0.850 275 R HN 0.073 nan 8.270 nan 0.000 0.433 276 L N 0.751 121.859 121.223 -0.191 0.000 2.046 276 L HA -0.079 4.184 4.340 -0.129 0.000 0.208 276 L C 2.474 179.218 176.870 -0.210 0.000 1.077 276 L CA 1.998 56.693 54.840 -0.241 0.000 0.747 276 L CB -1.234 40.639 42.059 -0.309 0.000 0.896 276 L HN 0.286 nan 8.230 nan 0.000 0.432 277 A N -0.726 121.961 122.820 -0.220 0.000 1.865 277 A HA -0.243 4.000 4.320 -0.129 0.000 0.217 277 A C 2.480 180.035 177.584 -0.048 0.000 1.191 277 A CA 1.766 53.721 52.037 -0.137 0.000 0.623 277 A CB -0.464 18.486 19.000 -0.085 0.000 0.826 277 A HN 0.359 nan 8.150 nan 0.000 0.444 278 R N -0.789 119.686 120.500 -0.042 0.000 2.082 278 R HA -0.128 4.134 4.340 -0.129 0.000 0.234 278 R C 2.247 178.521 176.300 -0.043 0.000 1.136 278 R CA 1.443 57.527 56.100 -0.026 0.000 0.935 278 R CB -0.420 29.865 30.300 -0.025 0.000 0.842 278 R HN 0.482 nan 8.270 nan 0.000 0.430 279 E N 0.795 120.953 120.200 -0.071 0.000 2.086 279 E HA -0.239 4.033 4.350 -0.129 0.000 0.205 279 E C 2.021 178.576 176.600 -0.074 0.000 1.027 279 E CA 1.227 57.579 56.400 -0.081 0.000 0.830 279 E CB -0.413 29.219 29.700 -0.112 0.000 0.751 279 E HN 0.121 nan 8.360 nan 0.000 0.456 280 L N 1.206 122.387 121.223 -0.071 0.000 2.013 280 L HA -0.213 4.050 4.340 -0.129 0.000 0.212 280 L C 2.349 179.198 176.870 -0.036 0.000 1.073 280 L CA 1.734 56.556 54.840 -0.031 0.000 0.753 280 L CB -0.869 41.228 42.059 0.062 0.000 0.890 280 L HN 0.056 nan 8.230 nan 0.000 0.432 281 K N -0.188 120.214 120.400 0.004 0.000 2.103 281 K HA -0.185 4.058 4.320 -0.129 0.000 0.207 281 K C 2.052 178.626 176.600 -0.044 0.000 1.048 281 K CA 1.555 57.848 56.287 0.009 0.000 0.930 281 K CB -0.106 32.413 32.500 0.031 0.000 0.716 281 K HN 0.195 nan 8.250 nan 0.000 0.444 282 K N -0.233 120.136 120.400 -0.052 0.000 2.002 282 K HA -0.111 4.132 4.320 -0.129 0.000 0.209 282 K C 2.098 178.646 176.600 -0.087 0.000 1.048 282 K CA 1.594 57.846 56.287 -0.059 0.000 0.930 282 K CB -0.245 32.224 32.500 -0.051 0.000 0.714 282 K HN 0.079 nan 8.250 nan 0.000 0.438 283 L N 1.099 122.255 121.223 -0.111 0.000 2.093 283 L HA -0.125 4.137 4.340 -0.129 0.000 0.208 283 L C 0.421 177.152 176.870 -0.231 0.000 1.085 283 L CA 1.189 55.944 54.840 -0.141 0.000 0.755 283 L CB -0.012 41.974 42.059 -0.122 0.000 0.904 283 L HN 0.131 nan 8.230 nan 0.000 0.435 284 N N -0.926 117.576 118.700 -0.331 0.000 2.841 284 N HA 0.196 4.858 4.740 -0.129 0.000 0.257 284 N C -2.064 173.283 175.510 -0.271 0.000 1.396 284 N CA -0.999 51.749 53.050 -0.504 0.000 0.823 284 N CB 1.104 38.821 38.487 -1.283 0.000 1.162 284 N HN -0.041 nan 8.380 nan 0.000 0.503 285 P HA -0.156 nan 4.420 nan 0.000 0.220 285 P C 0.828 178.134 177.300 0.010 0.000 1.144 285 P CA 1.403 64.476 63.100 -0.046 0.000 0.800 285 P CB 0.401 32.078 31.700 -0.039 0.000 0.772 286 Q N -3.468 116.337 119.800 0.009 0.000 2.360 286 Q HA 0.047 4.310 4.340 -0.129 0.000 0.202 286 Q C 0.216 176.369 176.000 0.256 0.000 0.915 286 Q CA 0.018 55.882 55.803 0.102 0.000 0.943 286 Q CB -0.791 27.999 28.738 0.087 0.000 1.064 286 Q HN 0.182 nan 8.270 nan 0.000 0.511 287 W N 2.108 123.431 121.300 0.038 0.000 2.150 287 W HA 0.251 4.825 4.660 -0.143 0.000 0.341 287 W C 0.495 177.038 176.519 0.040 0.000 1.276 287 W CA -1.293 56.080 57.345 0.046 0.000 1.238 287 W CB 0.315 29.807 29.460 0.054 0.000 1.128 287 W HN 0.058 nan 8.180 nan 0.000 0.581 288 D N 0.338 120.865 120.400 0.211 0.000 2.357 288 D HA 0.068 4.631 4.640 -0.129 0.000 0.242 288 D C 1.185 177.541 176.300 0.093 0.000 1.153 288 D CA 0.436 54.497 54.000 0.102 0.000 0.918 288 D CB 1.245 42.061 40.800 0.027 0.000 1.181 288 D HN 0.540 nan 8.370 nan 0.000 0.435 289 G N 1.021 109.862 108.800 0.068 0.000 2.433 289 G HA2 -0.299 3.584 3.960 -0.129 0.000 0.216 289 G HA3 -0.299 3.584 3.960 -0.129 0.000 0.216 289 G C 1.370 176.308 174.900 0.063 0.000 1.186 289 G CA 0.955 46.094 45.100 0.066 0.000 0.779 289 G HN 0.513 nan 8.290 nan 0.000 0.543 290 E N 0.622 120.835 120.200 0.022 0.000 2.038 290 E HA -0.159 4.113 4.350 -0.129 0.000 0.195 290 E C 2.321 178.910 176.600 -0.017 0.000 1.000 290 E CA 1.716 58.123 56.400 0.011 0.000 0.803 290 E CB -0.252 29.438 29.700 -0.017 0.000 0.750 290 E HN 0.338 nan 8.360 nan 0.000 0.448 291 K N -0.228 120.132 120.400 -0.067 0.000 2.074 291 K HA -0.127 4.116 4.320 -0.129 0.000 0.209 291 K C 1.969 178.465 176.600 -0.174 0.000 1.048 291 K CA 1.350 57.514 56.287 -0.206 0.000 0.926 291 K CB -0.399 31.911 32.500 -0.316 0.000 0.713 291 K HN 0.162 nan 8.250 nan 0.000 0.444 292 L N 0.198 121.429 121.223 0.013 0.000 2.017 292 L HA -0.179 4.083 4.340 -0.129 0.000 0.208 292 L C 2.285 179.153 176.870 -0.004 0.000 1.073 292 L CA 1.835 56.722 54.840 0.078 0.000 0.745 292 L CB -1.397 40.745 42.059 0.138 0.000 0.894 292 L HN 0.312 nan 8.230 nan 0.000 0.432 293 Y N 1.084 121.343 120.300 -0.068 0.000 2.053 293 Y HA -0.311 4.168 4.550 -0.119 0.000 0.277 293 Y C 2.814 178.598 175.900 -0.193 0.000 1.159 293 Y CA 1.905 59.990 58.100 -0.024 0.000 1.125 293 Y CB -0.202 38.250 38.460 -0.012 0.000 0.969 293 Y HN 0.230 nan 8.280 nan 0.000 0.492 294 Q N 0.229 119.788 119.800 -0.403 0.000 2.084 294 Q HA -0.190 4.073 4.340 -0.129 0.000 0.202 294 Q C 2.125 177.685 176.000 -0.733 0.000 0.978 294 Q CA 1.711 57.019 55.803 -0.827 0.000 0.844 294 Q CB -0.412 27.491 28.738 -1.392 0.000 0.898 294 Q HN 0.611 nan 8.270 nan 0.000 0.426 295 E N 0.589 120.486 120.200 -0.506 0.000 2.077 295 E HA -0.116 4.157 4.350 -0.129 0.000 0.193 295 E C 1.912 178.414 176.600 -0.162 0.000 0.989 295 E CA 1.109 57.402 56.400 -0.179 0.000 0.800 295 E CB -0.132 29.558 29.700 -0.016 0.000 0.746 295 E HN 0.319 nan 8.360 nan 0.000 0.452 296 A N 1.484 124.141 122.820 -0.273 0.000 1.873 296 A HA -0.190 4.053 4.320 -0.129 0.000 0.215 296 A C 2.219 179.635 177.584 -0.279 0.000 1.186 296 A CA 1.693 53.526 52.037 -0.340 0.000 0.616 296 A CB -0.543 18.105 19.000 -0.586 0.000 0.823 296 A HN 0.169 nan 8.150 nan 0.000 0.442 297 R N -0.098 120.163 120.500 -0.399 0.000 2.127 297 R HA -0.187 4.076 4.340 -0.129 0.000 0.238 297 R C 2.161 178.300 176.300 -0.268 0.000 1.134 297 R CA 2.042 57.840 56.100 -0.504 0.000 0.975 297 R CB -0.240 29.355 30.300 -1.176 0.000 0.865 297 R HN 0.536 nan 8.270 nan 0.000 0.447 298 K N 0.199 120.492 120.400 -0.179 0.000 2.103 298 K HA -0.044 4.199 4.320 -0.129 0.000 0.204 298 K C 1.995 178.752 176.600 0.261 0.000 1.052 298 K CA 1.212 57.527 56.287 0.047 0.000 0.945 298 K CB 0.012 32.579 32.500 0.111 0.000 0.722 298 K HN 0.199 nan 8.250 nan 0.000 0.443 299 I N 1.002 121.660 120.570 0.147 0.000 2.315 299 I HA -0.253 3.839 4.170 -0.129 0.000 0.248 299 I C 2.182 178.317 176.117 0.030 0.000 1.117 299 I CA 0.498 61.827 61.300 0.049 0.000 1.404 299 I CB -0.103 37.748 38.000 -0.249 0.000 1.071 299 I HN 0.177 nan 8.210 nan 0.000 0.419 300 L N 0.951 122.200 121.223 0.043 0.000 2.005 300 L HA -0.065 4.197 4.340 -0.129 0.000 0.207 300 L C 2.430 179.449 176.870 0.249 0.000 1.072 300 L CA 2.185 57.105 54.840 0.134 0.000 0.744 300 L CB -1.166 41.007 42.059 0.190 0.000 0.895 300 L HN 0.197 nan 8.230 nan 0.000 0.433 301 G N -1.169 107.758 108.800 0.212 0.000 2.442 301 G HA2 -0.290 3.592 3.960 -0.129 0.000 0.219 301 G HA3 -0.290 3.592 3.960 -0.129 0.000 0.219 301 G C 1.587 176.599 174.900 0.186 0.000 1.141 301 G CA 0.824 46.056 45.100 0.220 0.000 0.763 301 G HN 0.625 nan 8.290 nan 0.000 0.554 302 A N 0.290 123.207 122.820 0.162 0.000 1.930 302 A HA 0.108 4.351 4.320 -0.129 0.000 0.217 302 A C 2.104 179.603 177.584 -0.141 0.000 1.175 302 A CA 1.501 53.534 52.037 -0.007 0.000 0.627 302 A CB -0.464 18.497 19.000 -0.065 0.000 0.815 302 A HN 0.435 nan 8.150 nan 0.000 0.443 303 F N 1.045 120.922 119.950 -0.122 0.000 2.051 303 F HA -0.157 4.256 4.527 -0.191 0.000 0.296 303 F C 2.158 177.988 175.800 0.049 0.000 1.122 303 F CA 2.183 60.123 58.000 -0.099 0.000 1.201 303 F CB -0.548 38.420 39.000 -0.055 0.000 0.978 303 F HN 0.006 nan 8.300 nan 0.000 0.472 304 V N 0.745 120.773 119.914 0.191 0.000 2.546 304 V HA -0.343 3.700 4.120 -0.129 0.000 0.254 304 V C 2.252 178.503 176.094 0.261 0.000 1.076 304 V CA 2.274 64.760 62.300 0.310 0.000 1.087 304 V CB -1.064 31.014 31.823 0.425 0.000 0.674 304 V HN 0.494 nan 8.190 nan 0.000 0.470 305 Q N -0.651 119.226 119.800 0.128 0.000 2.062 305 Q HA -0.029 4.233 4.340 -0.129 0.000 0.196 305 Q C 2.341 178.404 176.000 0.106 0.000 0.967 305 Q CA 1.424 57.325 55.803 0.164 0.000 0.832 305 Q CB -0.134 28.534 28.738 -0.117 0.000 0.899 305 Q HN 0.554 nan 8.270 nan 0.000 0.442 306 I N 0.871 121.311 120.570 -0.218 0.000 2.163 306 I HA -0.285 3.808 4.170 -0.129 0.000 0.243 306 I C 2.005 178.081 176.117 -0.069 0.000 1.085 306 I CA 0.878 62.039 61.300 -0.231 0.000 1.347 306 I CB -0.189 37.492 38.000 -0.530 0.000 1.044 306 I HN 0.243 nan 8.210 nan 0.000 0.408 307 I N 0.162 120.599 120.570 -0.223 0.000 2.252 307 I HA -0.211 3.881 4.170 -0.129 0.000 0.245 307 I C 2.565 178.730 176.117 0.081 0.000 1.102 307 I CA 1.594 62.780 61.300 -0.190 0.000 1.385 307 I CB -1.969 35.660 38.000 -0.619 0.000 1.064 307 I HN 0.245 nan 8.210 nan 0.000 0.414 308 T N 1.469 116.215 114.554 0.320 0.000 2.643 308 T HA -0.158 4.115 4.350 -0.129 0.000 0.264 308 T C 1.818 176.695 174.700 0.295 0.000 1.045 308 T CA 1.640 64.032 62.100 0.487 0.000 1.155 308 T CB -0.460 68.778 68.868 0.617 0.000 0.863 308 T HN 0.091 nan 8.240 nan 0.000 0.420 309 F N 0.815 120.911 119.950 0.242 0.000 2.325 309 F HA 0.179 4.626 4.527 -0.132 0.000 0.299 309 F C 2.580 178.486 175.800 0.177 0.000 1.090 309 F CA 0.602 58.739 58.000 0.229 0.000 1.392 309 F CB -0.146 39.129 39.000 0.458 0.000 1.053 309 F HN -0.033 nan 8.300 nan 0.000 0.521 310 R N -0.170 120.517 120.500 0.311 0.000 2.128 310 R HA -0.031 4.232 4.340 -0.129 0.000 0.211 310 R C 1.030 177.414 176.300 0.141 0.000 1.067 310 R CA 1.331 57.559 56.100 0.214 0.000 1.010 310 R CB 0.038 30.446 30.300 0.180 0.000 0.922 310 R HN 0.110 nan 8.270 nan 0.000 0.457 311 D N -1.075 119.406 120.400 0.134 0.000 2.431 311 D HA -0.054 4.508 4.640 -0.129 0.000 0.227 311 D C 1.129 177.454 176.300 0.042 0.000 1.030 311 D CA 0.535 54.629 54.000 0.156 0.000 0.897 311 D CB -0.005 40.977 40.800 0.303 0.000 1.058 311 D HN 0.172 nan 8.370 nan 0.000 0.500 312 Y N 1.463 121.640 120.300 -0.204 0.000 2.343 312 Y HA 0.184 4.656 4.550 -0.131 0.000 0.294 312 Y C 2.010 177.801 175.900 -0.183 0.000 1.122 312 Y CA 0.695 58.587 58.100 -0.346 0.000 1.173 312 Y CB -0.217 38.054 38.460 -0.314 0.000 1.077 312 Y HN -0.214 nan 8.280 nan 0.000 0.542 313 L N 0.539 121.546 121.223 -0.361 0.000 2.027 313 L HA -0.107 4.156 4.340 -0.129 0.000 0.206 313 L C -0.491 176.190 176.870 -0.314 0.000 1.074 313 L CA 1.144 55.675 54.840 -0.516 0.000 0.745 313 L CB -1.753 39.922 42.059 -0.641 0.000 0.898 313 L HN 0.129 nan 8.230 nan 0.000 0.433 314 P HA -0.194 nan 4.420 nan 0.000 0.219 314 P C 1.355 178.598 177.300 -0.094 0.000 1.144 314 P CA 1.569 64.617 63.100 -0.088 0.000 0.806 314 P CB -0.102 31.582 31.700 -0.026 0.000 0.771 315 I N -6.730 113.767 120.570 -0.122 0.000 4.018 315 I HA 0.106 4.198 4.170 -0.129 0.000 0.337 315 I C 1.272 177.356 176.117 -0.055 0.000 1.327 315 I CA 0.068 61.319 61.300 -0.082 0.000 1.100 315 I CB 0.008 37.974 38.000 -0.056 0.000 1.025 315 I HN -0.272 nan 8.210 nan 0.000 0.396 316 V N 0.717 120.532 119.914 -0.164 0.000 2.672 316 V HA 0.029 4.072 4.120 -0.129 0.000 0.242 316 V C 2.135 178.129 176.094 -0.167 0.000 1.059 316 V CA 0.937 63.145 62.300 -0.153 0.000 1.081 316 V CB 0.112 31.707 31.823 -0.379 0.000 0.752 316 V HN 0.280 nan 8.190 nan 0.000 0.472 317 L N 0.170 121.298 121.223 -0.158 0.000 2.209 317 L HA 0.419 4.681 4.340 -0.129 0.000 0.207 317 L C 1.706 178.554 176.870 -0.037 0.000 1.094 317 L CA 1.621 56.414 54.840 -0.078 0.000 0.790 317 L CB -1.338 40.700 42.059 -0.035 0.000 0.932 317 L HN 0.469 nan 8.230 nan 0.000 0.447 318 G N -0.146 108.623 108.800 -0.051 0.000 2.531 318 G HA2 -0.402 3.481 3.960 -0.129 0.000 0.274 318 G HA3 -0.402 3.481 3.960 -0.129 0.000 0.274 318 G C 1.104 175.994 174.900 -0.017 0.000 1.159 318 G CA 1.097 46.176 45.100 -0.036 0.000 0.969 318 G HN 0.426 nan 8.290 nan 0.000 0.554 319 S N 0.253 115.946 115.700 -0.012 0.000 2.447 319 S HA 0.028 4.420 4.470 -0.129 0.000 0.233 319 S C 1.535 176.131 174.600 -0.006 0.000 1.006 319 S CA 1.909 60.102 58.200 -0.012 0.000 0.957 319 S CB -0.066 63.124 63.200 -0.015 0.000 0.773 319 S HN 0.639 nan 8.310 nan 0.000 0.507 320 E N 0.498 120.712 120.200 0.023 0.000 2.512 320 E HA 0.076 4.349 4.350 -0.129 0.000 0.195 320 E C 1.347 178.009 176.600 0.104 0.000 1.083 320 E CA 0.134 56.569 56.400 0.060 0.000 0.873 320 E CB -0.233 29.572 29.700 0.174 0.000 0.897 320 E HN 0.607 nan 8.360 nan 0.000 0.514 321 M N 0.924 120.559 119.600 0.058 0.000 2.077 321 M HA -0.197 4.205 4.480 -0.129 0.000 0.261 321 M C 2.003 178.337 176.300 0.055 0.000 1.070 321 M CA 1.796 57.135 55.300 0.065 0.000 1.125 321 M CB -0.060 32.553 32.600 0.020 0.000 1.339 321 M HN -0.083 nan 8.290 nan 0.000 0.409 322 Q N -0.192 119.613 119.800 0.007 0.000 2.181 322 Q HA -0.262 4.000 4.340 -0.129 0.000 0.205 322 Q C 2.139 178.096 176.000 -0.072 0.000 0.980 322 Q CA 1.915 57.709 55.803 -0.015 0.000 0.862 322 Q CB -0.455 28.266 28.738 -0.029 0.000 0.905 322 Q HN 0.629 nan 8.270 nan 0.000 0.429 323 K N -0.179 120.116 120.400 -0.175 0.000 2.155 323 K HA -0.151 4.091 4.320 -0.129 0.000 0.203 323 K C 1.247 177.546 176.600 -0.501 0.000 1.052 323 K CA 1.089 57.135 56.287 -0.403 0.000 0.948 323 K CB 0.072 32.208 32.500 -0.605 0.000 0.728 323 K HN 0.227 nan 8.250 nan 0.000 0.448 324 W N 0.252 121.553 121.300 0.002 0.000 2.735 324 W HA 0.301 4.883 4.660 -0.131 0.000 0.264 324 W C 0.307 176.846 176.519 0.033 0.000 1.233 324 W CA -0.479 56.872 57.345 0.010 0.000 1.408 324 W CB 0.651 30.125 29.460 0.024 0.000 1.038 324 W HN -0.194 nan 8.180 nan 0.000 0.603 325 I N 3.078 123.800 120.570 0.253 0.000 2.557 325 I HA 0.198 4.290 4.170 -0.129 0.000 0.277 325 I C -2.011 174.193 176.117 0.146 0.000 1.106 325 I CA -1.894 59.533 61.300 0.212 0.000 1.180 325 I CB 0.361 38.505 38.000 0.240 0.000 1.392 325 I HN -0.426 nan 8.210 nan 0.000 0.506 326 P HA 0.277 nan 4.420 nan 0.000 0.272 326 P C -2.527 174.834 177.300 0.101 0.000 1.240 326 P CA -1.247 61.893 63.100 0.067 0.000 0.791 326 P CB -0.361 31.354 31.700 0.026 0.000 0.978 327 P HA -0.020 nan 4.420 nan 0.000 0.266 327 P C -0.349 177.033 177.300 0.137 0.000 1.193 327 P CA 0.168 63.348 63.100 0.133 0.000 0.770 327 P CB -0.066 31.695 31.700 0.101 0.000 0.836 328 Y N 2.052 122.375 120.300 0.038 0.000 2.717 328 Y HA -0.065 4.412 4.550 -0.122 0.000 0.330 328 Y C 1.306 177.199 175.900 -0.011 0.000 1.217 328 Y CA 0.951 59.044 58.100 -0.012 0.000 1.506 328 Y CB 0.252 38.719 38.460 0.013 0.000 1.268 328 Y HN 0.410 nan 8.280 nan 0.000 0.561 329 Q N 3.918 123.377 119.800 -0.568 0.000 2.139 329 Q HA 0.312 4.574 4.340 -0.129 0.000 0.219 329 Q C -0.002 175.668 176.000 -0.550 0.000 0.805 329 Q CA 0.283 55.832 55.803 -0.423 0.000 1.024 329 Q CB 0.647 29.244 28.738 -0.235 0.000 1.163 329 Q HN 1.046 nan 8.270 nan 0.000 0.485 330 G N 1.035 109.183 108.800 -1.087 0.000 2.587 330 G HA2 -0.255 3.627 3.960 -0.129 0.000 0.686 330 G HA3 -0.255 3.627 3.960 -0.129 0.000 0.686 330 G C -1.276 173.410 174.900 -0.357 0.000 1.236 330 G CA -0.935 43.804 45.100 -0.602 0.000 0.820 330 G HN 0.206 nan 8.290 nan 0.000 0.645 331 Y N 1.955 122.195 120.300 -0.099 0.000 2.526 331 Y HA 0.519 4.992 4.550 -0.128 0.000 0.330 331 Y C 0.317 176.189 175.900 -0.046 0.000 1.156 331 Y CA -0.123 57.987 58.100 0.016 0.000 1.419 331 Y CB 0.921 39.416 38.460 0.057 0.000 1.250 331 Y HN 0.681 nan 8.280 nan 0.000 0.540 332 N N 5.562 123.896 118.700 -0.611 0.000 2.479 332 N HA 0.077 4.740 4.740 -0.129 0.000 0.261 332 N C 0.262 175.277 175.510 -0.825 0.000 0.979 332 N CA -0.393 52.314 53.050 -0.572 0.000 0.930 332 N CB 0.385 38.704 38.487 -0.281 0.000 1.172 332 N HN 0.970 nan 8.380 nan 0.000 0.499 333 N N 1.522 119.728 118.700 -0.824 0.000 2.453 333 N HA -0.093 4.569 4.740 -0.129 0.000 0.183 333 N C 0.185 175.581 175.510 -0.190 0.000 1.041 333 N CA 0.464 53.219 53.050 -0.492 0.000 0.900 333 N CB 0.217 38.588 38.487 -0.192 0.000 0.961 333 N HN 0.184 nan 8.380 nan 0.000 0.443 334 S N 0.253 115.848 115.700 -0.175 0.000 2.528 334 S HA 0.113 4.506 4.470 -0.129 0.000 0.219 334 S C 0.630 175.192 174.600 -0.063 0.000 0.985 334 S CA -0.270 57.875 58.200 -0.091 0.000 0.914 334 S CB 0.324 63.474 63.200 -0.084 0.000 0.776 334 S HN 0.119 nan 8.310 nan 0.000 0.526 335 V N 3.709 123.574 119.914 -0.082 0.000 2.470 335 V HA 0.101 4.144 4.120 -0.129 0.000 0.276 335 V C 0.064 176.174 176.094 0.026 0.000 1.040 335 V CA -0.638 61.644 62.300 -0.031 0.000 1.008 335 V CB 0.871 32.669 31.823 -0.041 0.000 0.990 335 V HN 0.248 nan 8.190 nan 0.000 0.477 336 D N 8.735 129.163 120.400 0.047 0.000 2.344 336 D HA 0.145 4.708 4.640 -0.129 0.000 0.253 336 D C -0.998 175.359 176.300 0.096 0.000 1.255 336 D CA -1.926 52.122 54.000 0.081 0.000 0.894 336 D CB 1.460 42.315 40.800 0.091 0.000 1.067 336 D HN 0.296 nan 8.370 nan 0.000 0.492 337 P HA -0.060 nan 4.420 nan 0.000 0.237 337 P C 0.184 177.426 177.300 -0.096 0.000 1.178 337 P CA 0.094 63.225 63.100 0.052 0.000 0.766 337 P CB 0.287 32.102 31.700 0.192 0.000 0.876 338 R N 0.537 121.011 120.500 -0.043 0.000 2.585 338 R HA 0.133 4.396 4.340 -0.129 0.000 0.275 338 R C 0.577 176.832 176.300 -0.074 0.000 1.018 338 R CA -0.219 55.840 56.100 -0.068 0.000 1.072 338 R CB 0.239 30.544 30.300 0.009 0.000 0.953 338 R HN 0.072 nan 8.270 nan 0.000 0.419 339 I N 3.271 123.766 120.570 -0.125 0.000 2.396 339 I HA -0.019 4.073 4.170 -0.129 0.000 0.289 339 I C 0.996 177.014 176.117 -0.164 0.000 1.056 339 I CA 0.305 61.505 61.300 -0.166 0.000 1.365 339 I CB 0.712 38.656 38.000 -0.093 0.000 1.407 339 I HN 0.695 nan 8.210 nan 0.000 0.509 340 S N 5.367 120.854 115.700 -0.354 0.000 2.593 340 S HA 0.113 4.505 4.470 -0.129 0.000 0.269 340 S C 1.100 175.516 174.600 -0.306 0.000 1.334 340 S CA -0.540 57.330 58.200 -0.550 0.000 1.015 340 S CB 1.299 63.517 63.200 -1.638 0.000 0.912 340 S HN 0.622 nan 8.310 nan 0.000 0.541 341 N N 0.628 119.215 118.700 -0.188 0.000 2.120 341 N HA -0.121 4.541 4.740 -0.129 0.000 0.188 341 N C 1.650 177.187 175.510 0.045 0.000 1.024 341 N CA 1.334 54.407 53.050 0.038 0.000 0.852 341 N CB -0.722 37.863 38.487 0.165 0.000 1.003 341 N HN 0.542 nan 8.380 nan 0.000 0.424 342 V N 0.565 120.381 119.914 -0.164 0.000 2.515 342 V HA -0.162 3.881 4.120 -0.129 0.000 0.250 342 V C 2.022 178.012 176.094 -0.173 0.000 1.058 342 V CA 1.229 63.379 62.300 -0.250 0.000 1.064 342 V CB -0.715 30.569 31.823 -0.898 0.000 0.675 342 V HN 0.232 nan 8.190 nan 0.000 0.461 343 F N 2.043 121.751 119.950 -0.402 0.000 2.126 343 F HA -0.195 4.254 4.527 -0.131 0.000 0.299 343 F C 2.679 178.411 175.800 -0.114 0.000 1.096 343 F CA 2.344 60.179 58.000 -0.275 0.000 1.255 343 F CB -0.921 37.874 39.000 -0.340 0.000 0.997 343 F HN 0.373 nan 8.300 nan 0.000 0.479 344 T N -2.321 112.130 114.554 -0.173 0.000 3.077 344 T HA -0.194 4.078 4.350 -0.129 0.000 0.269 344 T C 1.551 175.903 174.700 -0.580 0.000 1.146 344 T CA 1.469 63.339 62.100 -0.382 0.000 1.091 344 T CB -1.005 67.621 68.868 -0.403 0.000 0.892 344 T HN 0.315 nan 8.240 nan 0.000 0.533 345 F N 0.272 120.121 119.950 -0.168 0.000 2.680 345 F HA 0.587 5.038 4.527 -0.128 0.000 0.290 345 F C 2.663 178.474 175.800 0.020 0.000 1.114 345 F CA -0.086 57.870 58.000 -0.073 0.000 1.333 345 F CB -0.319 38.644 39.000 -0.062 0.000 1.091 345 F HN 0.188 nan 8.300 nan 0.000 0.606 346 A N 0.047 122.905 122.820 0.062 0.000 1.898 346 A HA -0.192 4.050 4.320 -0.129 0.000 0.216 346 A C 1.863 179.541 177.584 0.156 0.000 1.181 346 A CA 1.158 53.230 52.037 0.057 0.000 0.620 346 A CB -1.049 17.925 19.000 -0.043 0.000 0.819 346 A HN 0.343 nan 8.150 nan 0.000 0.442 347 F N 0.937 120.701 119.950 -0.310 0.000 2.771 347 F HA 0.064 4.512 4.527 -0.132 0.000 0.299 347 F C 1.790 177.437 175.800 -0.255 0.000 1.177 347 F CA 0.203 58.043 58.000 -0.266 0.000 1.450 347 F CB -0.397 38.154 39.000 -0.749 0.000 1.114 347 F HN 0.211 nan 8.300 nan 0.000 0.587 348 R N -0.277 120.222 120.500 -0.001 0.000 2.319 348 R HA -0.080 4.182 4.340 -0.129 0.000 0.204 348 R C 1.960 178.225 176.300 -0.059 0.000 0.954 348 R CA 0.452 56.390 56.100 -0.270 0.000 1.066 348 R CB -0.748 29.489 30.300 -0.106 0.000 0.991 348 R HN 0.407 nan 8.270 nan 0.000 0.486 349 F N -0.783 119.222 119.950 0.091 0.000 2.171 349 F HA 0.024 4.473 4.527 -0.131 0.000 0.300 349 F C 2.049 177.917 175.800 0.112 0.000 1.090 349 F CA 1.042 59.102 58.000 0.100 0.000 1.293 349 F CB -1.079 37.976 39.000 0.093 0.000 1.013 349 F HN -0.112 nan 8.300 nan 0.000 0.486 350 G N -0.073 108.024 108.800 -1.171 0.000 2.517 350 G HA2 -0.322 3.561 3.960 -0.129 0.000 0.222 350 G HA3 -0.322 3.561 3.960 -0.129 0.000 0.222 350 G C 1.278 176.099 174.900 -0.131 0.000 1.109 350 G CA 1.312 45.961 45.100 -0.751 0.000 0.746 350 G HN 0.664 nan 8.290 nan 0.000 0.576 351 H N -0.373 118.671 119.070 -0.044 0.000 2.457 351 H HA 0.034 4.513 4.556 -0.129 0.000 0.297 351 H C 2.350 177.780 175.328 0.169 0.000 1.092 351 H CA 0.878 56.985 56.048 0.099 0.000 1.309 351 H CB -0.005 29.893 29.762 0.228 0.000 1.382 351 H HN 0.363 nan 8.280 nan 0.000 0.535 352 M N 0.252 120.031 119.600 0.298 0.000 2.561 352 M HA -0.015 4.388 4.480 -0.129 0.000 0.238 352 M C 0.610 177.050 176.300 0.233 0.000 1.131 352 M CA 0.928 56.384 55.300 0.260 0.000 1.046 352 M CB 0.290 33.015 32.600 0.208 0.000 1.532 352 M HN 0.337 nan 8.290 nan 0.000 0.497 353 E N 0.262 120.594 120.200 0.219 0.000 2.498 353 E HA 0.129 4.402 4.350 -0.129 0.000 0.203 353 E C -0.020 176.699 176.600 0.198 0.000 1.013 353 E CA -0.096 56.439 56.400 0.225 0.000 0.927 353 E CB 0.880 30.737 29.700 0.262 0.000 1.012 353 E HN 0.175 nan 8.360 nan 0.000 0.482 354 V N 4.745 124.771 119.914 0.187 0.000 2.427 354 V HA 0.121 4.163 4.120 -0.129 0.000 0.268 354 V C -1.916 174.286 176.094 0.179 0.000 1.046 354 V CA -1.399 61.002 62.300 0.168 0.000 0.970 354 V CB 0.339 32.259 31.823 0.162 0.000 1.001 354 V HN 0.047 nan 8.190 nan 0.000 0.476 355 P HA 0.227 nan 4.420 nan 0.000 0.289 355 P C 0.637 178.018 177.300 0.135 0.000 1.299 355 P CA -0.465 62.728 63.100 0.155 0.000 0.766 355 P CB 0.642 32.423 31.700 0.134 0.000 1.226 356 S N -3.032 112.742 115.700 0.123 0.000 2.524 356 S HA 0.106 4.499 4.470 -0.129 0.000 0.216 356 S C 0.699 175.329 174.600 0.051 0.000 0.987 356 S CA 0.280 58.537 58.200 0.096 0.000 0.909 356 S CB -1.049 62.209 63.200 0.098 0.000 0.781 356 S HN 0.683 nan 8.310 nan 0.000 0.521 357 T N -0.987 113.594 114.554 0.044 0.000 2.901 357 T HA 0.764 5.037 4.350 -0.129 0.000 0.293 357 T C -0.978 173.726 174.700 0.006 0.000 1.084 357 T CA -0.800 61.307 62.100 0.011 0.000 1.008 357 T CB 1.883 70.765 68.868 0.022 0.000 1.170 357 T HN -0.001 nan 8.240 nan 0.000 0.509 358 V N 1.402 121.303 119.914 -0.022 0.000 2.577 358 V HA 0.635 4.678 4.120 -0.129 0.000 0.303 358 V C -0.117 175.966 176.094 -0.019 0.000 1.042 358 V CA -0.722 61.565 62.300 -0.022 0.000 0.872 358 V CB 1.989 33.778 31.823 -0.057 0.000 0.998 358 V HN 1.104 nan 8.190 nan 0.000 0.423 359 S N 3.360 119.060 115.700 -0.001 0.000 2.608 359 S HA 0.773 5.166 4.470 -0.129 0.000 0.291 359 S C -0.420 174.166 174.600 -0.024 0.000 1.146 359 S CA -0.702 57.502 58.200 0.006 0.000 1.043 359 S CB 1.402 64.621 63.200 0.032 0.000 1.037 359 S HN 0.665 nan 8.310 nan 0.000 0.520 360 R N 1.590 122.083 120.500 -0.011 0.000 2.534 360 R HA 0.644 4.907 4.340 -0.129 0.000 0.301 360 R C -1.194 175.097 176.300 -0.015 0.000 0.961 360 R CA -0.283 55.766 56.100 -0.086 0.000 0.871 360 R CB 0.994 31.221 30.300 -0.122 0.000 1.170 360 R HN 0.465 nan 8.270 nan 0.000 0.446 361 L N 2.122 123.264 121.223 -0.135 0.000 2.354 361 L HA 0.544 4.806 4.340 -0.129 0.000 0.269 361 L C -0.196 176.580 176.870 -0.156 0.000 1.005 361 L CA -1.312 53.461 54.840 -0.111 0.000 0.819 361 L CB 1.886 43.810 42.059 -0.225 0.000 1.311 361 L HN 0.660 nan 8.230 nan 0.000 0.423 362 D N -0.162 120.242 120.400 0.007 0.000 2.447 362 D HA 0.048 4.611 4.640 -0.129 0.000 0.265 362 D C 0.685 176.885 176.300 -0.167 0.000 1.250 362 D CA -0.455 53.586 54.000 0.068 0.000 1.046 362 D CB 0.563 41.471 40.800 0.180 0.000 1.095 362 D HN 0.543 nan 8.370 nan 0.000 0.555 363 E N -0.801 119.339 120.200 -0.100 0.000 2.219 363 E HA -0.207 4.065 4.350 -0.129 0.000 0.198 363 E C 0.679 177.193 176.600 -0.144 0.000 0.998 363 E CA 1.094 57.406 56.400 -0.147 0.000 0.818 363 E CB -0.468 29.201 29.700 -0.052 0.000 0.741 363 E HN 0.492 nan 8.360 nan 0.000 0.477 364 N N -0.506 118.140 118.700 -0.089 0.000 2.268 364 N HA 0.055 4.718 4.740 -0.129 0.000 0.204 364 N C -0.860 174.542 175.510 -0.179 0.000 1.124 364 N CA -0.165 52.866 53.050 -0.030 0.000 0.838 364 N CB 0.311 38.852 38.487 0.090 0.000 0.994 364 N HN 0.110 nan 8.380 nan 0.000 0.489 365 Y N 0.224 120.248 120.300 -0.461 0.000 3.568 365 Y HA -0.240 4.231 4.550 -0.132 0.000 0.220 365 Y C -0.304 175.481 175.900 -0.190 0.000 1.319 365 Y CA 0.123 57.955 58.100 -0.446 0.000 1.629 365 Y CB -1.778 36.158 38.460 -0.873 0.000 1.515 365 Y HN 0.236 nan 8.280 nan 0.000 0.613 366 Q N -0.264 119.527 119.800 -0.015 0.000 2.301 366 Q HA 0.463 4.725 4.340 -0.129 0.000 0.267 366 Q C -2.390 173.643 176.000 0.055 0.000 1.035 366 Q CA -2.437 53.388 55.803 0.037 0.000 0.856 366 Q CB 1.260 30.023 28.738 0.042 0.000 1.337 366 Q HN -0.093 nan 8.270 nan 0.000 0.450 367 P HA -0.124 nan 4.420 nan 0.000 0.256 367 P C -0.759 176.618 177.300 0.128 0.000 1.173 367 P CA 0.444 63.597 63.100 0.088 0.000 0.768 367 P CB 0.035 31.770 31.700 0.059 0.000 0.758 368 W N 6.278 127.551 121.300 -0.044 0.000 2.585 368 W HA 0.420 5.005 4.660 -0.126 0.000 0.337 368 W C 0.771 177.275 176.519 -0.026 0.000 1.226 368 W CA 1.525 58.845 57.345 -0.042 0.000 1.463 368 W CB -0.265 29.162 29.460 -0.055 0.000 1.458 368 W HN 0.790 nan 8.180 nan 0.000 0.458 369 G N 5.993 114.646 108.800 -0.245 0.000 2.725 369 G HA2 -0.260 3.623 3.960 -0.129 0.000 0.220 369 G HA3 -0.260 3.623 3.960 -0.129 0.000 0.220 369 G C -1.656 173.185 174.900 -0.099 0.000 1.357 369 G CA -0.368 44.567 45.100 -0.275 0.000 0.866 369 G HN 0.400 nan 8.290 nan 0.000 0.548 370 P HA 0.171 nan 4.420 nan 0.000 0.234 370 P C 0.504 177.799 177.300 -0.007 0.000 1.175 370 P CA 1.098 64.175 63.100 -0.038 0.000 0.801 370 P CB 0.315 31.988 31.700 -0.045 0.000 0.891 371 E N -0.328 119.875 120.200 0.006 0.000 3.659 371 E HA 0.414 4.686 4.350 -0.129 0.000 0.217 371 E C 0.893 177.532 176.600 0.066 0.000 1.141 371 E CA -0.388 56.030 56.400 0.030 0.000 1.340 371 E CB 0.625 30.345 29.700 0.033 0.000 1.295 371 E HN 0.044 nan 8.360 nan 0.000 0.434 372 A N 1.565 124.432 122.820 0.077 0.000 1.855 372 A HA -0.150 4.092 4.320 -0.129 0.000 0.215 372 A C 1.259 178.885 177.584 0.071 0.000 1.191 372 A CA 0.957 53.068 52.037 0.124 0.000 0.613 372 A CB -0.064 19.009 19.000 0.120 0.000 0.829 372 A HN 0.417 nan 8.150 nan 0.000 0.442 373 E N -0.120 120.105 120.200 0.042 0.000 2.259 373 E HA 0.526 4.798 4.350 -0.129 0.000 0.281 373 E C -1.186 175.411 176.600 -0.006 0.000 1.027 373 E CA -0.393 56.018 56.400 0.019 0.000 0.838 373 E CB 0.414 30.131 29.700 0.027 0.000 1.066 373 E HN 0.401 nan 8.360 nan 0.000 0.401 374 L N 4.913 126.115 121.223 -0.035 0.000 2.354 374 L HA 0.522 4.785 4.340 -0.129 0.000 0.264 374 L C -2.349 174.460 176.870 -0.103 0.000 1.008 374 L CA -2.826 51.968 54.840 -0.076 0.000 0.819 374 L CB 2.157 44.149 42.059 -0.112 0.000 1.339 374 L HN 0.529 nan 8.230 nan 0.000 0.420 375 P HA 0.059 nan 4.420 nan 0.000 0.271 375 P C 0.484 177.635 177.300 -0.249 0.000 1.220 375 P CA -0.327 62.680 63.100 -0.156 0.000 0.768 375 P CB 0.827 32.396 31.700 -0.218 0.000 0.848 376 L N 4.657 125.781 121.223 -0.165 0.000 2.189 376 L HA -0.227 4.036 4.340 -0.129 0.000 0.214 376 L C 2.120 178.614 176.870 -0.627 0.000 1.097 376 L CA 1.833 56.509 54.840 -0.274 0.000 0.764 376 L CB -1.124 40.875 42.059 -0.099 0.000 0.900 376 L HN 0.544 nan 8.230 nan 0.000 0.436 377 H N -2.231 116.584 119.070 -0.426 0.000 2.546 377 H HA -0.031 4.448 4.556 -0.129 0.000 0.277 377 H C 1.412 176.559 175.328 -0.301 0.000 1.004 377 H CA 1.252 57.026 56.048 -0.458 0.000 1.231 377 H CB -0.412 29.415 29.762 0.108 0.000 1.382 377 H HN 0.537 nan 8.280 nan 0.000 0.580 378 T N -1.282 112.913 114.554 -0.599 0.000 3.107 378 T HA 0.193 4.466 4.350 -0.129 0.000 0.249 378 T C 1.741 176.293 174.700 -0.246 0.000 1.096 378 T CA -0.254 61.636 62.100 -0.350 0.000 1.012 378 T CB -0.217 68.445 68.868 -0.342 0.000 0.977 378 T HN 0.305 nan 8.240 nan 0.000 0.527 379 L N -0.263 120.722 121.223 -0.397 0.000 2.585 379 L HA 0.424 4.687 4.340 -0.129 0.000 0.226 379 L C -0.128 176.645 176.870 -0.163 0.000 1.113 379 L CA -0.464 54.196 54.840 -0.301 0.000 0.876 379 L CB -0.210 41.664 42.059 -0.308 0.000 1.072 379 L HN 0.166 nan 8.230 nan 0.000 0.468 380 F N 0.196 120.200 119.950 0.090 0.000 2.538 380 F HA 0.111 4.560 4.527 -0.130 0.000 0.371 380 F C 0.855 176.730 175.800 0.125 0.000 1.087 380 F CA -0.692 57.368 58.000 0.099 0.000 1.250 380 F CB -0.487 38.694 39.000 0.301 0.000 1.110 380 F HN -0.071 nan 8.300 nan 0.000 0.570 381 F N 0.028 120.103 119.950 0.208 0.000 3.105 381 F HA -0.340 4.110 4.527 -0.128 0.000 0.280 381 F C 0.753 176.553 175.800 0.000 0.000 0.894 381 F CA 0.415 58.465 58.000 0.084 0.000 0.992 381 F CB -1.388 37.661 39.000 0.081 0.000 1.047 381 F HN 0.499 nan 8.300 nan 0.000 0.607 382 N N 0.782 119.518 118.700 0.060 0.000 2.420 382 N HA 0.202 4.864 4.740 -0.129 0.000 0.249 382 N C 1.028 176.479 175.510 -0.098 0.000 1.033 382 N CA 0.869 53.891 53.050 -0.047 0.000 0.944 382 N CB 1.057 39.434 38.487 -0.183 0.000 1.113 382 N HN 0.306 nan 8.380 nan 0.000 0.502 383 T N -0.031 114.474 114.554 -0.081 0.000 2.969 383 T HA 0.027 4.299 4.350 -0.129 0.000 0.250 383 T C 1.797 176.451 174.700 -0.077 0.000 1.021 383 T CA -0.455 61.577 62.100 -0.113 0.000 1.003 383 T CB -0.361 68.278 68.868 -0.381 0.000 1.040 383 T HN 0.646 nan 8.240 nan 0.000 0.492 384 W N 2.374 123.616 121.300 -0.098 0.000 2.392 384 W HA 0.063 4.647 4.660 -0.127 0.000 0.279 384 W C 1.458 177.961 176.519 -0.026 0.000 1.225 384 W CA 0.014 57.315 57.345 -0.073 0.000 1.233 384 W CB -0.694 28.717 29.460 -0.082 0.000 1.122 384 W HN 0.082 nan 8.180 nan 0.000 0.561 385 R N 1.049 121.092 120.500 -0.761 0.000 2.115 385 R HA -0.044 4.219 4.340 -0.129 0.000 0.230 385 R C 2.127 178.265 176.300 -0.270 0.000 1.111 385 R CA 1.327 56.989 56.100 -0.731 0.000 0.976 385 R CB -0.708 29.101 30.300 -0.820 0.000 0.870 385 R HN 0.393 nan 8.270 nan 0.000 0.445 386 I N 0.472 120.941 120.570 -0.168 0.000 2.188 386 I HA -0.222 3.870 4.170 -0.129 0.000 0.237 386 I C 2.173 178.260 176.117 -0.050 0.000 1.073 386 I CA 0.778 62.026 61.300 -0.088 0.000 1.359 386 I CB -0.321 37.653 38.000 -0.043 0.000 1.083 386 I HN -0.053 nan 8.210 nan 0.000 0.412 387 I N 1.074 121.604 120.570 -0.065 0.000 2.151 387 I HA -0.287 3.805 4.170 -0.129 0.000 0.243 387 I C 1.653 177.838 176.117 0.115 0.000 1.080 387 I CA 1.944 63.224 61.300 -0.035 0.000 1.339 387 I CB -1.094 36.938 38.000 0.053 0.000 1.039 387 I HN 0.305 nan 8.210 nan 0.000 0.409 388 K N -0.037 120.459 120.400 0.159 0.000 2.498 388 K HA 0.093 4.335 4.320 -0.129 0.000 0.207 388 K C -0.266 176.479 176.600 0.242 0.000 1.033 388 K CA 0.077 56.496 56.287 0.219 0.000 1.138 388 K CB 0.484 33.157 32.500 0.289 0.000 0.860 388 K HN 0.064 nan 8.250 nan 0.000 0.490 389 D N -0.524 119.990 120.400 0.190 0.000 3.279 389 D HA 0.150 4.713 4.640 -0.129 0.000 0.336 389 D C 0.442 176.862 176.300 0.200 0.000 1.512 389 D CA 0.527 54.689 54.000 0.270 0.000 0.754 389 D CB 0.514 41.405 40.800 0.153 0.000 1.278 389 D HN 0.233 nan 8.370 nan 0.000 0.553 390 G N -0.512 108.388 108.800 0.167 0.000 2.238 390 G HA2 0.123 4.006 3.960 -0.129 0.000 0.217 390 G HA3 0.123 4.006 3.960 -0.129 0.000 0.217 390 G C 1.108 175.956 174.900 -0.086 0.000 0.996 390 G CA 0.453 45.510 45.100 -0.072 0.000 0.632 390 G HN 1.288 nan 8.290 nan 0.000 0.503 391 G N -0.071 108.725 108.800 -0.005 0.000 2.525 391 G HA2 -0.085 3.798 3.960 -0.129 0.000 0.248 391 G HA3 -0.085 3.798 3.960 -0.129 0.000 0.248 391 G C 0.735 175.640 174.900 0.008 0.000 1.238 391 G CA 0.456 45.619 45.100 0.105 0.000 0.926 391 G HN 0.909 nan 8.290 nan 0.000 0.574 392 I N 1.345 121.944 120.570 0.048 0.000 2.494 392 I HA 0.092 4.185 4.170 -0.129 0.000 0.250 392 I C 2.457 178.532 176.117 -0.069 0.000 1.112 392 I CA 1.783 63.078 61.300 -0.008 0.000 1.438 392 I CB -1.460 36.553 38.000 0.021 0.000 1.111 392 I HN 0.502 nan 8.210 nan 0.000 0.431 393 D N 1.615 121.978 120.400 -0.060 0.000 2.106 393 D HA -0.165 4.398 4.640 -0.129 0.000 0.191 393 D C -0.595 175.578 176.300 -0.211 0.000 0.997 393 D CA 1.605 55.544 54.000 -0.102 0.000 0.834 393 D CB -1.850 38.917 40.800 -0.055 0.000 0.956 393 D HN 0.205 nan 8.370 nan 0.000 0.448 394 P HA -0.097 nan 4.420 nan 0.000 0.219 394 P C 1.381 178.491 177.300 -0.317 0.000 1.146 394 P CA 0.721 63.531 63.100 -0.484 0.000 0.808 394 P CB 0.122 31.276 31.700 -0.911 0.000 0.779 395 L N -1.803 119.281 121.223 -0.231 0.000 2.354 395 L HA 0.022 4.284 4.340 -0.129 0.000 0.212 395 L C 2.114 178.948 176.870 -0.061 0.000 1.091 395 L CA 1.192 55.950 54.840 -0.138 0.000 0.828 395 L CB -0.816 41.168 42.059 -0.125 0.000 0.973 395 L HN -0.201 nan 8.230 nan 0.000 0.461 396 V N -0.669 119.215 119.914 -0.049 0.000 2.407 396 V HA -0.167 3.876 4.120 -0.129 0.000 0.245 396 V C 2.551 178.676 176.094 0.052 0.000 1.041 396 V CA 1.218 63.535 62.300 0.027 0.000 1.040 396 V CB -0.452 31.390 31.823 0.031 0.000 0.671 396 V HN 0.373 nan 8.190 nan 0.000 0.455 397 R N 0.381 120.858 120.500 -0.038 0.000 2.105 397 R HA -0.143 4.119 4.340 -0.129 0.000 0.239 397 R C 2.441 178.799 176.300 0.097 0.000 1.135 397 R CA 1.554 57.633 56.100 -0.034 0.000 0.967 397 R CB -0.856 29.151 30.300 -0.488 0.000 0.861 397 R HN 0.587 nan 8.270 nan 0.000 0.442 398 G N 1.171 109.982 108.800 0.019 0.000 2.440 398 G HA2 -0.234 3.649 3.960 -0.129 0.000 0.218 398 G HA3 -0.234 3.649 3.960 -0.129 0.000 0.218 398 G C 1.425 176.393 174.900 0.113 0.000 1.154 398 G CA 0.486 45.622 45.100 0.060 0.000 0.767 398 G HN 0.151 nan 8.290 nan 0.000 0.552 399 L N -0.221 121.067 121.223 0.108 0.000 2.131 399 L HA 0.041 4.304 4.340 -0.129 0.000 0.210 399 L C 2.689 179.653 176.870 0.157 0.000 1.092 399 L CA 0.527 55.440 54.840 0.122 0.000 0.759 399 L CB -0.193 41.931 42.059 0.109 0.000 0.903 399 L HN 0.198 nan 8.230 nan 0.000 0.435 400 L N -1.283 120.074 121.223 0.224 0.000 2.375 400 L HA 0.044 4.307 4.340 -0.129 0.000 0.215 400 L C 2.307 179.402 176.870 0.375 0.000 1.108 400 L CA 0.550 55.560 54.840 0.283 0.000 0.830 400 L CB -0.289 42.016 42.059 0.411 0.000 0.959 400 L HN 0.169 nan 8.230 nan 0.000 0.457 401 A N -1.488 121.548 122.820 0.360 0.000 2.229 401 A HA 0.173 4.416 4.320 -0.129 0.000 0.211 401 A C 1.015 178.726 177.584 0.212 0.000 1.193 401 A CA 0.070 52.301 52.037 0.324 0.000 0.879 401 A CB 0.324 19.513 19.000 0.315 0.000 0.911 401 A HN -0.043 nan 8.150 nan 0.000 0.492 402 K N 0.517 121.022 120.400 0.176 0.000 2.240 402 K HA 0.585 4.827 4.320 -0.129 0.000 0.237 402 K C -0.662 176.020 176.600 0.138 0.000 1.027 402 K CA -0.205 56.165 56.287 0.139 0.000 0.937 402 K CB 0.626 33.195 32.500 0.116 0.000 1.171 402 K HN 0.177 nan 8.250 nan 0.000 0.479 403 K N 0.069 120.543 120.400 0.124 0.000 2.295 403 K HA 0.418 4.661 4.320 -0.129 0.000 0.239 403 K C -0.326 176.358 176.600 0.141 0.000 0.991 403 K CA -0.630 55.732 56.287 0.126 0.000 0.845 403 K CB 1.676 34.236 32.500 0.101 0.000 1.197 403 K HN 0.381 nan 8.250 nan 0.000 0.441 404 S N 0.620 116.418 115.700 0.164 0.000 2.669 404 S HA 0.196 4.589 4.470 -0.129 0.000 0.270 404 S C -0.372 174.325 174.600 0.162 0.000 1.225 404 S CA -0.747 57.568 58.200 0.193 0.000 0.991 404 S CB 0.844 64.216 63.200 0.287 0.000 0.987 404 S HN 0.431 nan 8.310 nan 0.000 0.552 405 K N 0.742 121.246 120.400 0.172 0.000 2.237 405 K HA 0.308 4.551 4.320 -0.129 0.000 0.270 405 K C -0.920 175.771 176.600 0.152 0.000 1.015 405 K CA -0.468 55.911 56.287 0.154 0.000 0.949 405 K CB 0.334 32.943 32.500 0.182 0.000 0.976 405 K HN 0.416 nan 8.250 nan 0.000 0.472 406 L N 4.449 125.736 121.223 0.105 0.000 2.309 406 L HA 0.289 4.551 4.340 -0.129 0.000 0.282 406 L C -0.179 176.738 176.870 0.078 0.000 1.036 406 L CA -0.445 54.450 54.840 0.091 0.000 0.806 406 L CB 1.397 43.484 42.059 0.047 0.000 1.220 406 L HN 0.726 nan 8.230 nan 0.000 0.429 407 M N 4.754 124.415 119.600 0.102 0.000 2.249 407 M HA 0.121 4.524 4.480 -0.129 0.000 0.340 407 M C -0.599 175.716 176.300 0.025 0.000 1.166 407 M CA 0.750 56.099 55.300 0.082 0.000 1.115 407 M CB -0.061 32.603 32.600 0.108 0.000 1.606 407 M HN 0.765 nan 8.290 nan 0.000 0.448 408 N N 2.711 121.406 118.700 -0.008 0.000 2.371 408 N HA 0.187 4.850 4.740 -0.129 0.000 0.280 408 N C -0.284 175.200 175.510 -0.044 0.000 1.084 408 N CA -0.252 52.772 53.050 -0.042 0.000 0.892 408 N CB 1.309 39.739 38.487 -0.095 0.000 1.653 408 N HN 0.625 nan 8.380 nan 0.000 0.480 409 Q N 0.402 120.182 119.800 -0.034 0.000 2.224 409 Q HA -0.003 4.260 4.340 -0.129 0.000 0.203 409 Q C 0.030 176.016 176.000 -0.023 0.000 0.970 409 Q CA 1.245 57.032 55.803 -0.027 0.000 0.865 409 Q CB 0.351 29.076 28.738 -0.022 0.000 0.922 409 Q HN 0.549 nan 8.270 nan 0.000 0.445 410 D N -0.056 120.319 120.400 -0.041 0.000 2.367 410 D HA 0.057 4.619 4.640 -0.129 0.000 0.207 410 D C -0.093 176.169 176.300 -0.062 0.000 1.034 410 D CA 0.537 54.519 54.000 -0.030 0.000 0.861 410 D CB 0.495 41.277 40.800 -0.030 0.000 0.943 410 D HN 0.078 nan 8.370 nan 0.000 0.515 411 K N 0.677 120.974 120.400 -0.171 0.000 2.616 411 K HA 0.387 4.630 4.320 -0.129 0.000 0.241 411 K C 0.484 176.987 176.600 -0.162 0.000 0.961 411 K CA -0.109 55.892 56.287 -0.476 0.000 0.942 411 K CB 2.238 34.100 32.500 -1.064 0.000 1.153 411 K HN -0.171 nan 8.250 nan 0.000 0.452 412 M N 0.580 120.281 119.600 0.169 0.000 2.738 412 M HA 0.151 4.554 4.480 -0.129 0.000 0.256 412 M C 0.205 176.696 176.300 0.317 0.000 1.253 412 M CA 0.615 56.028 55.300 0.188 0.000 1.223 412 M CB 0.812 33.490 32.600 0.129 0.000 1.263 412 M HN 0.123 nan 8.290 nan 0.000 0.521 413 V N 0.617 120.783 119.914 0.421 0.000 2.577 413 V HA 0.205 4.247 4.120 -0.129 0.000 0.303 413 V C -0.135 176.102 176.094 0.239 0.000 1.042 413 V CA -0.815 61.694 62.300 0.349 0.000 0.872 413 V CB 1.773 33.784 31.823 0.314 0.000 0.998 413 V HN 0.272 nan 8.190 nan 0.000 0.423 414 T N 2.771 117.446 114.554 0.201 0.000 2.946 414 T HA 0.007 4.280 4.350 -0.129 0.000 0.311 414 T C 1.449 176.108 174.700 -0.068 0.000 1.063 414 T CA 0.649 62.724 62.100 -0.042 0.000 1.139 414 T CB 0.846 69.780 68.868 0.110 0.000 0.994 414 T HN 0.784 nan 8.240 nan 0.000 0.547 415 S N 2.878 118.464 115.700 -0.190 0.000 2.465 415 S HA -0.088 4.305 4.470 -0.129 0.000 0.241 415 S C 1.902 176.527 174.600 0.042 0.000 1.000 415 S CA 0.750 58.902 58.200 -0.081 0.000 0.964 415 S CB -0.197 62.935 63.200 -0.112 0.000 0.763 415 S HN 0.690 nan 8.310 nan 0.000 0.512 416 E N 1.071 121.334 120.200 0.105 0.000 2.106 416 E HA -0.031 4.242 4.350 -0.129 0.000 0.192 416 E C 1.880 178.692 176.600 0.354 0.000 0.984 416 E CA 0.822 57.369 56.400 0.246 0.000 0.806 416 E CB -0.254 29.590 29.700 0.241 0.000 0.750 416 E HN 0.493 nan 8.360 nan 0.000 0.458 417 L N -0.273 121.099 121.223 0.249 0.000 2.354 417 L HA 0.105 4.368 4.340 -0.129 0.000 0.212 417 L C 2.559 179.486 176.870 0.095 0.000 1.091 417 L CA 0.256 55.197 54.840 0.168 0.000 0.828 417 L CB -0.048 42.075 42.059 0.107 0.000 0.973 417 L HN -0.036 nan 8.230 nan 0.000 0.461 418 R N -0.304 120.253 120.500 0.095 0.000 2.210 418 R HA 0.008 4.270 4.340 -0.129 0.000 0.203 418 R C 1.331 177.669 176.300 0.063 0.000 1.010 418 R CA 0.722 56.867 56.100 0.076 0.000 1.008 418 R CB 0.347 30.684 30.300 0.061 0.000 0.923 418 R HN 0.320 nan 8.270 nan 0.000 0.469 419 N N -0.881 117.855 118.700 0.060 0.000 2.272 419 N HA 0.059 4.721 4.740 -0.129 0.000 0.228 419 N C -0.008 175.540 175.510 0.063 0.000 1.206 419 N CA 0.336 53.406 53.050 0.033 0.000 0.855 419 N CB 0.800 39.277 38.487 -0.016 0.000 1.248 419 N HN -0.008 nan 8.380 nan 0.000 0.476 420 K N 0.974 121.442 120.400 0.114 0.000 2.576 420 K HA 0.217 4.459 4.320 -0.129 0.000 0.209 420 K C -0.134 176.706 176.600 0.400 0.000 1.049 420 K CA -0.363 56.029 56.287 0.176 0.000 1.140 420 K CB 0.714 33.203 32.500 -0.019 0.000 0.871 420 K HN -0.026 nan 8.250 nan 0.000 0.479 421 L N 1.090 122.480 121.223 0.278 0.000 2.416 421 L HA 0.200 4.463 4.340 -0.129 0.000 0.272 421 L C -0.473 176.532 176.870 0.225 0.000 1.161 421 L CA -0.106 54.792 54.840 0.098 0.000 0.845 421 L CB 0.192 42.198 42.059 -0.089 0.000 1.119 421 L HN 0.026 nan 8.230 nan 0.000 0.464 422 F N 4.968 124.899 119.950 -0.033 0.000 2.371 422 F HA 0.363 4.812 4.527 -0.129 0.000 0.363 422 F C -0.038 175.756 175.800 -0.010 0.000 1.122 422 F CA -0.385 57.612 58.000 -0.005 0.000 1.129 422 F CB 0.444 39.416 39.000 -0.046 0.000 1.173 422 F HN 0.456 nan 8.300 nan 0.000 0.489 423 Q N 8.391 127.852 119.800 -0.564 0.000 2.279 423 Q HA 0.186 4.448 4.340 -0.129 0.000 0.256 423 Q C -1.594 173.897 176.000 -0.848 0.000 0.937 423 Q CA -1.834 53.607 55.803 -0.604 0.000 0.933 423 Q CB 1.633 29.828 28.738 -0.906 0.000 1.189 423 Q HN 0.464 nan 8.270 nan 0.000 0.417 424 P HA -0.187 nan 4.420 nan 0.000 0.219 424 P C 0.736 177.660 177.300 -0.626 0.000 1.144 424 P CA 1.402 64.051 63.100 -0.752 0.000 0.806 424 P CB 0.509 31.838 31.700 -0.619 0.000 0.771 425 T N -1.176 112.971 114.554 -0.678 0.000 2.818 425 T HA 0.012 4.284 4.350 -0.129 0.000 0.246 425 T C 1.055 175.337 174.700 -0.698 0.000 1.036 425 T CA 0.515 62.187 62.100 -0.713 0.000 1.160 425 T CB -0.564 67.767 68.868 -0.895 0.000 0.869 425 T HN 0.245 nan 8.240 nan 0.000 0.419 426 H N 1.091 119.985 119.070 -0.293 0.000 2.581 426 H HA 0.322 4.801 4.556 -0.129 0.000 0.369 426 H C 0.988 176.144 175.328 -0.287 0.000 1.351 426 H CA 0.075 56.017 56.048 -0.176 0.000 1.434 426 H CB 0.786 30.596 29.762 0.080 0.000 1.558 426 H HN 0.095 nan 8.280 nan 0.000 0.608 427 K N -0.022 120.388 120.400 0.018 0.000 2.211 427 K HA 0.133 4.375 4.320 -0.129 0.000 0.201 427 K C 0.882 177.719 176.600 0.396 0.000 1.052 427 K CA 0.323 56.691 56.287 0.134 0.000 0.973 427 K CB 0.254 32.873 32.500 0.200 0.000 0.766 427 K HN 0.433 nan 8.250 nan 0.000 0.466 428 I N -1.163 119.562 120.570 0.259 0.000 3.110 428 I HA 0.178 4.270 4.170 -0.129 0.000 0.314 428 I C -0.300 176.034 176.117 0.362 0.000 1.020 428 I CA -0.716 60.782 61.300 0.330 0.000 1.169 428 I CB 0.595 38.691 38.000 0.160 0.000 1.437 428 I HN -0.037 nan 8.210 nan 0.000 0.595 429 H N 1.275 120.577 119.070 0.386 0.000 2.482 429 H HA 0.479 4.958 4.556 -0.129 0.000 0.231 429 H C 0.475 175.925 175.328 0.204 0.000 1.612 429 H CA -0.261 56.041 56.048 0.424 0.000 1.279 429 H CB 0.692 30.702 29.762 0.414 0.000 1.562 429 H HN 0.845 nan 8.280 nan 0.000 0.553 430 G N 0.801 109.721 108.800 0.199 0.000 4.530 430 G HA2 0.110 3.992 3.960 -0.129 0.000 0.284 430 G HA3 0.110 3.992 3.960 -0.129 0.000 0.284 430 G C -0.436 174.401 174.900 -0.105 0.000 1.008 430 G CA -0.154 44.956 45.100 0.017 0.000 0.770 430 G HN 0.212 nan 8.290 nan 0.000 0.424 431 F N 0.438 120.420 119.950 0.054 0.000 2.375 431 F HA 0.596 5.046 4.527 -0.128 0.000 0.317 431 F C -0.010 175.805 175.800 0.026 0.000 1.124 431 F CA -0.646 57.372 58.000 0.030 0.000 1.050 431 F CB 1.628 40.621 39.000 -0.011 0.000 1.314 431 F HN -0.063 nan 8.300 nan 0.000 0.511 432 D N 1.373 121.937 120.400 0.272 0.000 2.473 432 D HA 0.155 4.717 4.640 -0.129 0.000 0.253 432 D C 0.365 176.715 176.300 0.083 0.000 1.233 432 D CA -0.401 53.683 54.000 0.140 0.000 0.908 432 D CB 1.413 42.283 40.800 0.117 0.000 1.170 432 D HN 0.383 nan 8.370 nan 0.000 0.558 433 L N 4.722 125.952 121.223 0.011 0.000 2.083 433 L HA 0.036 4.298 4.340 -0.129 0.000 0.209 433 L C 1.950 178.749 176.870 -0.118 0.000 1.083 433 L CA 2.429 57.215 54.840 -0.090 0.000 0.752 433 L CB -0.553 41.381 42.059 -0.208 0.000 0.899 433 L HN 0.498 nan 8.230 nan 0.000 0.433 434 A N -0.535 122.275 122.820 -0.018 0.000 1.898 434 A HA -0.045 4.198 4.320 -0.129 0.000 0.216 434 A C 2.441 179.977 177.584 -0.079 0.000 1.181 434 A CA 1.652 53.683 52.037 -0.009 0.000 0.620 434 A CB -1.092 18.106 19.000 0.330 0.000 0.819 434 A HN 0.562 nan 8.150 nan 0.000 0.442 435 A N -0.226 122.596 122.820 0.003 0.000 1.930 435 A HA -0.006 4.236 4.320 -0.129 0.000 0.217 435 A C 2.118 179.642 177.584 -0.101 0.000 1.175 435 A CA 1.359 53.386 52.037 -0.017 0.000 0.627 435 A CB -0.519 18.490 19.000 0.015 0.000 0.815 435 A HN 0.484 nan 8.150 nan 0.000 0.443 436 I N -0.052 120.481 120.570 -0.062 0.000 2.163 436 I HA -0.256 3.836 4.170 -0.129 0.000 0.240 436 I C 2.127 178.215 176.117 -0.047 0.000 1.081 436 I CA 1.190 62.494 61.300 0.007 0.000 1.353 436 I CB -0.471 37.611 38.000 0.137 0.000 1.054 436 I HN 0.286 nan 8.210 nan 0.000 0.407 437 N N 0.923 119.477 118.700 -0.244 0.000 2.137 437 N HA -0.184 4.479 4.740 -0.129 0.000 0.190 437 N C 1.886 177.208 175.510 -0.313 0.000 1.017 437 N CA 1.398 54.172 53.050 -0.460 0.000 0.859 437 N CB -0.401 37.255 38.487 -1.385 0.000 1.002 437 N HN 0.335 nan 8.380 nan 0.000 0.428 438 L N 0.275 121.352 121.223 -0.244 0.000 2.072 438 L HA -0.134 4.129 4.340 -0.129 0.000 0.205 438 L C 2.467 179.326 176.870 -0.018 0.000 1.079 438 L CA 0.892 55.727 54.840 -0.008 0.000 0.752 438 L CB -0.279 41.843 42.059 0.105 0.000 0.906 438 L HN 0.121 nan 8.230 nan 0.000 0.436 439 Q N 0.208 119.924 119.800 -0.140 0.000 2.124 439 Q HA -0.241 4.022 4.340 -0.129 0.000 0.202 439 Q C 2.176 178.175 176.000 -0.001 0.000 0.977 439 Q CA 1.490 57.131 55.803 -0.270 0.000 0.850 439 Q CB -0.047 28.145 28.738 -0.910 0.000 0.901 439 Q HN 0.098 nan 8.270 nan 0.000 0.429 440 R N -0.894 119.716 120.500 0.184 0.000 2.120 440 R HA -0.058 4.205 4.340 -0.129 0.000 0.234 440 R C 2.114 178.629 176.300 0.359 0.000 1.123 440 R CA 1.470 57.889 56.100 0.531 0.000 0.975 440 R CB -1.020 29.622 30.300 0.569 0.000 0.866 440 R HN 0.415 nan 8.270 nan 0.000 0.446 441 C N -0.066 119.213 119.300 -0.035 0.000 2.413 441 C HA -0.076 4.306 4.460 -0.129 0.000 0.277 441 C C 2.510 177.430 174.990 -0.117 0.000 1.228 441 C CA 1.231 59.919 59.018 -0.549 0.000 1.731 441 C CB -0.763 26.768 27.740 -0.349 0.000 2.042 441 C HN 0.531 nan 8.230 nan 0.000 0.468 442 R N 0.328 120.889 120.500 0.102 0.000 2.096 442 R HA -0.133 4.129 4.340 -0.129 0.000 0.235 442 R C 1.857 178.300 176.300 0.238 0.000 1.127 442 R CA 1.827 58.055 56.100 0.213 0.000 0.968 442 R CB -0.442 30.056 30.300 0.330 0.000 0.861 442 R HN 0.572 nan 8.270 nan 0.000 0.440 443 D N 0.048 120.669 120.400 0.368 0.000 2.097 443 D HA -0.165 4.398 4.640 -0.129 0.000 0.195 443 D C 1.454 177.965 176.300 0.352 0.000 0.989 443 D CA 1.326 55.557 54.000 0.386 0.000 0.827 443 D CB -0.078 41.086 40.800 0.607 0.000 0.966 443 D HN 0.360 nan 8.370 nan 0.000 0.456 444 H N -0.862 118.349 119.070 0.235 0.000 2.563 444 H HA 0.137 4.616 4.556 -0.129 0.000 0.272 444 H C 0.891 176.204 175.328 -0.024 0.000 1.005 444 H CA 0.539 56.711 56.048 0.208 0.000 1.171 444 H CB 0.063 30.056 29.762 0.384 0.000 1.351 444 H HN 0.306 nan 8.280 nan 0.000 0.602 445 G N 1.704 110.445 108.800 -0.098 0.000 2.333 445 G HA2 -0.260 3.623 3.960 -0.129 0.000 0.296 445 G HA3 -0.260 3.623 3.960 -0.129 0.000 0.296 445 G C 0.162 174.947 174.900 -0.192 0.000 1.059 445 G CA -0.088 44.718 45.100 -0.490 0.000 1.050 445 G HN 0.122 nan 8.290 nan 0.000 0.508 446 M N -0.176 119.401 119.600 -0.039 0.000 2.235 446 M HA 0.276 4.679 4.480 -0.129 0.000 0.351 446 M C -1.624 174.759 176.300 0.139 0.000 1.178 446 M CA -1.945 53.401 55.300 0.076 0.000 1.143 446 M CB 0.271 32.856 32.600 -0.025 0.000 1.530 446 M HN -0.003 nan 8.290 nan 0.000 0.461 447 P HA 0.162 nan 4.420 nan 0.000 0.273 447 P C 0.194 177.579 177.300 0.141 0.000 1.250 447 P CA -0.163 62.964 63.100 0.044 0.000 0.793 447 P CB 0.423 31.953 31.700 -0.284 0.000 1.011 448 G N -0.679 108.143 108.800 0.037 0.000 2.653 448 G HA2 -0.028 3.855 3.960 -0.129 0.000 0.265 448 G HA3 -0.028 3.855 3.960 -0.129 0.000 0.265 448 G C 0.293 175.327 174.900 0.224 0.000 1.237 448 G CA -0.075 45.081 45.100 0.092 0.000 0.946 448 G HN 0.449 nan 8.290 nan 0.000 0.522 449 Y N 0.379 120.722 120.300 0.071 0.000 2.070 449 Y HA -0.223 4.249 4.550 -0.129 0.000 0.280 449 Y C 2.739 178.713 175.900 0.123 0.000 1.148 449 Y CA 2.519 60.690 58.100 0.118 0.000 1.125 449 Y CB -0.228 38.236 38.460 0.006 0.000 0.975 449 Y HN 0.427 nan 8.280 nan 0.000 0.492 450 N N -0.194 118.535 118.700 0.048 0.000 2.205 450 N HA -0.176 4.486 4.740 -0.129 0.000 0.186 450 N C 2.031 177.492 175.510 -0.081 0.000 1.015 450 N CA 1.491 54.501 53.050 -0.066 0.000 0.862 450 N CB -0.549 37.944 38.487 0.010 0.000 0.986 450 N HN 0.336 nan 8.380 nan 0.000 0.429 451 S N -0.292 115.343 115.700 -0.110 0.000 2.383 451 S HA -0.110 4.283 4.470 -0.129 0.000 0.229 451 S C 1.633 176.051 174.600 -0.303 0.000 1.030 451 S CA 0.918 58.964 58.200 -0.256 0.000 1.002 451 S CB -0.256 62.691 63.200 -0.423 0.000 0.829 451 S HN 0.508 nan 8.310 nan 0.000 0.467 452 W N 1.517 122.818 121.300 0.003 0.000 2.453 452 W HA 0.111 4.694 4.660 -0.128 0.000 0.289 452 W C 2.530 179.079 176.519 0.050 0.000 1.215 452 W CA -0.197 57.183 57.345 0.058 0.000 1.297 452 W CB -0.076 29.398 29.460 0.024 0.000 1.113 452 W HN 0.056 nan 8.180 nan 0.000 0.551 453 R N 0.129 120.657 120.500 0.047 0.000 2.083 453 R HA -0.106 4.157 4.340 -0.129 0.000 0.237 453 R C 2.340 178.663 176.300 0.038 0.000 1.137 453 R CA 1.637 57.703 56.100 -0.057 0.000 0.951 453 R CB -1.619 28.517 30.300 -0.273 0.000 0.851 453 R HN 0.344 nan 8.270 nan 0.000 0.434 454 G N 0.336 109.150 108.800 0.023 0.000 2.442 454 G HA2 -0.293 3.589 3.960 -0.129 0.000 0.219 454 G HA3 -0.293 3.589 3.960 -0.129 0.000 0.219 454 G C 1.350 176.303 174.900 0.089 0.000 1.141 454 G CA 0.422 45.541 45.100 0.031 0.000 0.763 454 G HN 0.308 nan 8.290 nan 0.000 0.554 455 F N 0.995 120.939 119.950 -0.009 0.000 2.216 455 F HA -0.071 4.379 4.527 -0.130 0.000 0.300 455 F C 2.035 177.894 175.800 0.098 0.000 1.085 455 F CA 0.872 58.898 58.000 0.044 0.000 1.326 455 F CB -0.084 38.996 39.000 0.133 0.000 1.027 455 F HN 0.153 nan 8.300 nan 0.000 0.497 456 c N 0.647 119.321 118.600 0.123 0.000 2.754 456 c HA 0.455 4.948 4.570 -0.129 0.000 0.276 456 c C 1.650 175.790 174.090 0.083 0.000 1.264 456 c CA 0.390 56.755 56.329 0.061 0.000 1.700 456 c CB -1.187 41.420 42.510 0.161 0.000 1.885 456 c HN 0.828 nan 8.230 nan 0.000 0.607 457 G N 1.340 110.159 108.800 0.031 0.000 2.221 457 G HA2 -0.239 3.643 3.960 -0.129 0.000 0.265 457 G HA3 -0.239 3.643 3.960 -0.129 0.000 0.265 457 G C -0.256 174.665 174.900 0.035 0.000 1.041 457 G CA 0.132 45.245 45.100 0.022 0.000 0.807 457 G HN 0.547 nan 8.290 nan 0.000 0.502 458 L N 0.617 121.863 121.223 0.038 0.000 2.330 458 L HA 0.641 4.904 4.340 -0.129 0.000 0.271 458 L C 1.272 178.146 176.870 0.008 0.000 1.013 458 L CA -0.679 54.179 54.840 0.029 0.000 0.816 458 L CB 1.831 43.913 42.059 0.038 0.000 1.287 458 L HN 0.357 nan 8.230 nan 0.000 0.435 459 S N 1.115 116.822 115.700 0.012 0.000 2.554 459 S HA 0.010 4.403 4.470 -0.129 0.000 0.290 459 S C -0.340 174.262 174.600 0.002 0.000 1.309 459 S CA -0.364 57.843 58.200 0.012 0.000 1.047 459 S CB 0.108 63.322 63.200 0.023 0.000 0.828 459 S HN 0.608 nan 8.310 nan 0.000 0.509 460 Q N 2.271 122.076 119.800 0.008 0.000 2.456 460 Q HA 0.365 4.627 4.340 -0.129 0.000 0.252 460 Q C -2.483 173.543 176.000 0.044 0.000 1.042 460 Q CA -1.950 53.858 55.803 0.010 0.000 0.766 460 Q CB 1.284 30.021 28.738 -0.003 0.000 1.196 460 Q HN 0.568 nan 8.270 nan 0.000 0.504 461 P HA -0.002 nan 4.420 nan 0.000 0.268 461 P C -0.250 177.096 177.300 0.078 0.000 1.204 461 P CA -0.095 63.055 63.100 0.084 0.000 0.768 461 P CB 1.187 32.956 31.700 0.115 0.000 0.842 462 K N 0.366 120.801 120.400 0.059 0.000 2.440 462 K HA 0.156 4.398 4.320 -0.129 0.000 0.207 462 K C 0.704 177.333 176.600 0.049 0.000 1.112 462 K CA 0.463 56.783 56.287 0.055 0.000 1.036 462 K CB 0.732 33.261 32.500 0.048 0.000 0.935 462 K HN 0.632 nan 8.250 nan 0.000 0.564 463 T N -2.726 111.853 114.554 0.042 0.000 2.883 463 T HA 0.342 4.614 4.350 -0.129 0.000 0.296 463 T C 1.088 175.804 174.700 0.026 0.000 1.117 463 T CA -0.816 61.303 62.100 0.032 0.000 1.006 463 T CB 1.643 70.529 68.868 0.030 0.000 1.191 463 T HN -0.103 nan 8.240 nan 0.000 0.508 464 L N 0.685 121.918 121.223 0.017 0.000 2.010 464 L HA -0.230 4.033 4.340 -0.129 0.000 0.219 464 L C 2.700 179.579 176.870 0.016 0.000 1.077 464 L CA 2.023 56.870 54.840 0.011 0.000 0.773 464 L CB -0.379 41.684 42.059 0.007 0.000 0.892 464 L HN 0.877 nan 8.230 nan 0.000 0.436 465 K N -0.886 119.524 120.400 0.018 0.000 2.147 465 K HA -0.134 4.108 4.320 -0.129 0.000 0.205 465 K C 1.854 178.469 176.600 0.025 0.000 1.049 465 K CA 1.207 57.505 56.287 0.019 0.000 0.936 465 K CB -0.274 32.236 32.500 0.017 0.000 0.722 465 K HN 0.542 nan 8.250 nan 0.000 0.446 466 G N 0.817 109.635 108.800 0.030 0.000 2.402 466 G HA2 -0.224 3.659 3.960 -0.129 0.000 0.216 466 G HA3 -0.224 3.659 3.960 -0.129 0.000 0.216 466 G C 1.320 176.250 174.900 0.049 0.000 1.162 466 G CA 0.472 45.596 45.100 0.040 0.000 0.777 466 G HN 0.238 nan 8.290 nan 0.000 0.539 467 L N 0.340 121.590 121.223 0.046 0.000 2.141 467 L HA 0.043 4.306 4.340 -0.129 0.000 0.209 467 L C 2.832 179.720 176.870 0.029 0.000 1.094 467 L CA 1.632 56.499 54.840 0.045 0.000 0.763 467 L CB -0.400 41.672 42.059 0.020 0.000 0.908 467 L HN 0.277 nan 8.230 nan 0.000 0.437 468 Q N -1.395 118.419 119.800 0.022 0.000 2.124 468 Q HA -0.176 4.086 4.340 -0.129 0.000 0.202 468 Q C 1.879 177.893 176.000 0.022 0.000 0.977 468 Q CA 2.204 58.017 55.803 0.016 0.000 0.850 468 Q CB -0.109 28.637 28.738 0.014 0.000 0.901 468 Q HN 0.571 nan 8.270 nan 0.000 0.429 469 T N 0.011 114.583 114.554 0.029 0.000 2.809 469 T HA -0.069 4.204 4.350 -0.129 0.000 0.260 469 T C 2.033 176.757 174.700 0.040 0.000 1.039 469 T CA 1.015 63.133 62.100 0.031 0.000 1.141 469 T CB -0.265 68.621 68.868 0.030 0.000 0.869 469 T HN 0.022 nan 8.240 nan 0.000 0.437 470 V N 1.585 121.534 119.914 0.058 0.000 2.255 470 V HA -0.107 3.936 4.120 -0.129 0.000 0.247 470 V C 2.356 178.493 176.094 0.071 0.000 1.051 470 V CA 1.385 63.734 62.300 0.082 0.000 1.018 470 V CB -0.598 31.308 31.823 0.138 0.000 0.641 470 V HN 0.314 nan 8.190 nan 0.000 0.445 471 L N -0.686 120.568 121.223 0.051 0.000 2.478 471 L HA 0.094 4.357 4.340 -0.129 0.000 0.223 471 L C 1.456 178.337 176.870 0.017 0.000 1.140 471 L CA 0.945 55.800 54.840 0.025 0.000 0.842 471 L CB -1.301 40.755 42.059 -0.005 0.000 0.953 471 L HN 0.411 nan 8.230 nan 0.000 0.452 472 K N 0.186 120.598 120.400 0.020 0.000 3.020 472 K HA -0.240 4.003 4.320 -0.129 0.000 0.266 472 K C 0.208 176.812 176.600 0.007 0.000 1.067 472 K CA 0.655 56.951 56.287 0.014 0.000 0.780 472 K CB -1.240 31.269 32.500 0.014 0.000 1.220 472 K HN 0.336 nan 8.250 nan 0.000 0.483 473 N N 0.302 119.005 118.700 0.005 0.000 2.430 473 N HA 0.178 4.840 4.740 -0.129 0.000 0.290 473 N C 0.141 175.652 175.510 0.001 0.000 1.063 473 N CA -0.526 52.524 53.050 0.000 0.000 0.883 473 N CB 1.461 39.945 38.487 -0.005 0.000 1.465 473 N HN -0.045 nan 8.380 nan 0.000 0.493 474 K N 2.573 122.974 120.400 0.002 0.000 2.021 474 K HA 0.178 4.420 4.320 -0.129 0.000 0.205 474 K C 1.660 178.260 176.600 0.001 0.000 1.047 474 K CA 0.818 57.106 56.287 0.002 0.000 0.943 474 K CB 0.268 32.770 32.500 0.003 0.000 0.725 474 K HN 0.546 nan 8.250 nan 0.000 0.439 475 I N 1.113 121.683 120.570 0.001 0.000 2.202 475 I HA -0.264 3.829 4.170 -0.129 0.000 0.242 475 I C 2.376 178.493 176.117 -0.000 0.000 1.091 475 I CA 0.621 61.922 61.300 0.001 0.000 1.368 475 I CB -0.173 37.828 38.000 0.003 0.000 1.058 475 I HN 0.143 nan 8.210 nan 0.000 0.410 476 L N 1.568 122.790 121.223 -0.003 0.000 2.012 476 L HA -0.202 4.061 4.340 -0.129 0.000 0.210 476 L C 2.567 179.432 176.870 -0.008 0.000 1.073 476 L CA 2.297 57.134 54.840 -0.005 0.000 0.748 476 L CB -0.797 41.254 42.059 -0.014 0.000 0.891 476 L HN 0.190 nan 8.230 nan 0.000 0.431 477 A N -0.914 121.899 122.820 -0.011 0.000 2.024 477 A HA -0.275 3.967 4.320 -0.129 0.000 0.220 477 A C 2.443 180.024 177.584 -0.004 0.000 1.164 477 A CA 2.021 54.050 52.037 -0.012 0.000 0.643 477 A CB -0.630 18.366 19.000 -0.007 0.000 0.806 477 A HN 0.572 nan 8.150 nan 0.000 0.451 478 K N -0.222 120.176 120.400 -0.002 0.000 2.116 478 K HA -0.059 4.183 4.320 -0.129 0.000 0.203 478 K C 1.917 178.514 176.600 -0.005 0.000 1.052 478 K CA 1.277 57.562 56.287 -0.004 0.000 0.952 478 K CB -0.099 32.399 32.500 -0.003 0.000 0.729 478 K HN 0.454 nan 8.250 nan 0.000 0.446 479 K N 0.395 120.794 120.400 -0.001 0.000 2.001 479 K HA -0.118 4.125 4.320 -0.129 0.000 0.208 479 K C 1.999 178.603 176.600 0.007 0.000 1.048 479 K CA 0.986 57.271 56.287 -0.002 0.000 0.932 479 K CB -0.181 32.321 32.500 0.004 0.000 0.715 479 K HN -0.001 nan 8.250 nan 0.000 0.437 480 L N 0.956 122.201 121.223 0.037 0.000 2.013 480 L HA -0.197 4.066 4.340 -0.129 0.000 0.212 480 L C 2.449 179.401 176.870 0.137 0.000 1.073 480 L CA 1.714 56.626 54.840 0.120 0.000 0.753 480 L CB -0.557 41.541 42.059 0.065 0.000 0.890 480 L HN 0.223 nan 8.230 nan 0.000 0.432 481 M N -0.841 118.786 119.600 0.046 0.000 2.175 481 M HA -0.168 4.234 4.480 -0.129 0.000 0.264 481 M C 1.685 177.964 176.300 -0.036 0.000 1.063 481 M CA 1.535 56.841 55.300 0.010 0.000 1.119 481 M CB -0.507 32.086 32.600 -0.012 0.000 1.377 481 M HN 0.154 nan 8.290 nan 0.000 0.415 482 D N -0.462 119.913 120.400 -0.041 0.000 2.264 482 D HA -0.066 4.497 4.640 -0.129 0.000 0.208 482 D C 1.958 178.194 176.300 -0.106 0.000 0.966 482 D CA 1.052 55.011 54.000 -0.068 0.000 0.864 482 D CB -0.041 40.730 40.800 -0.048 0.000 0.933 482 D HN 0.384 nan 8.370 nan 0.000 0.499 483 L N -1.190 119.952 121.223 -0.136 0.000 2.298 483 L HA -0.032 4.230 4.340 -0.129 0.000 0.209 483 L C 1.542 178.188 176.870 -0.374 0.000 1.084 483 L CA 0.529 55.203 54.840 -0.277 0.000 0.816 483 L CB 0.068 41.890 42.059 -0.396 0.000 0.967 483 L HN 0.020 nan 8.230 nan 0.000 0.460 484 Y N -0.831 119.404 120.300 -0.109 0.000 2.507 484 Y HA 0.061 4.533 4.550 -0.129 0.000 0.263 484 Y C 1.302 177.021 175.900 -0.301 0.000 1.093 484 Y CA -0.423 57.597 58.100 -0.134 0.000 1.285 484 Y CB 0.439 38.847 38.460 -0.088 0.000 1.115 484 Y HN -0.080 nan 8.280 nan 0.000 0.533 485 K N -0.639 119.609 120.400 -0.253 0.000 3.495 485 K HA -0.228 4.015 4.320 -0.129 0.000 0.288 485 K C 0.389 176.710 176.600 -0.465 0.000 0.908 485 K CA 1.642 57.555 56.287 -0.623 0.000 1.231 485 K CB -1.818 29.705 32.500 -1.628 0.000 1.399 485 K HN 0.383 nan 8.250 nan 0.000 0.465 486 T N -0.622 113.802 114.554 -0.216 0.000 2.932 486 T HA 0.491 4.764 4.350 -0.129 0.000 0.318 486 T C -2.549 172.155 174.700 0.007 0.000 1.265 486 T CA -1.261 60.823 62.100 -0.026 0.000 1.036 486 T CB 2.274 71.224 68.868 0.137 0.000 1.209 486 T HN -0.235 nan 8.240 nan 0.000 0.484 487 P HA 0.049 nan 4.420 nan 0.000 0.219 487 P C 0.876 178.197 177.300 0.035 0.000 1.150 487 P CA 0.639 63.749 63.100 0.016 0.000 0.814 487 P CB 0.164 31.917 31.700 0.089 0.000 0.787 488 D N -0.807 119.625 120.400 0.053 0.000 2.271 488 D HA -0.146 4.416 4.640 -0.129 0.000 0.207 488 D C 1.258 177.556 176.300 -0.004 0.000 0.983 488 D CA 1.062 55.086 54.000 0.040 0.000 0.878 488 D CB -0.551 40.276 40.800 0.044 0.000 0.920 488 D HN 0.174 nan 8.370 nan 0.000 0.479 489 N N -0.238 118.441 118.700 -0.034 0.000 2.356 489 N HA 0.098 4.760 4.740 -0.129 0.000 0.178 489 N C 0.390 175.729 175.510 -0.285 0.000 1.075 489 N CA -0.114 52.888 53.050 -0.079 0.000 0.889 489 N CB 0.428 38.952 38.487 0.061 0.000 0.999 489 N HN 0.218 nan 8.380 nan 0.000 0.464 490 I N 2.334 122.599 120.570 -0.507 0.000 2.845 490 I HA -0.119 3.973 4.170 -0.129 0.000 0.290 490 I C 0.143 176.026 176.117 -0.390 0.000 1.202 490 I CA 0.368 61.115 61.300 -0.920 0.000 1.406 490 I CB 0.118 37.740 38.000 -0.630 0.000 1.383 490 I HN -0.064 nan 8.210 nan 0.000 0.549 491 D N 6.162 126.367 120.400 -0.326 0.000 2.488 491 D HA -0.070 4.493 4.640 -0.129 0.000 0.238 491 D C 1.167 177.506 176.300 0.065 0.000 1.138 491 D CA 0.057 54.056 54.000 -0.002 0.000 0.873 491 D CB 1.263 42.149 40.800 0.144 0.000 1.183 491 D HN 0.453 nan 8.370 nan 0.000 0.458 492 I N 3.251 123.892 120.570 0.119 0.000 2.248 492 I HA -0.243 3.849 4.170 -0.129 0.000 0.248 492 I C 1.825 178.041 176.117 0.165 0.000 1.107 492 I CA 1.412 62.803 61.300 0.153 0.000 1.373 492 I CB -0.187 37.827 38.000 0.022 0.000 1.055 492 I HN 0.615 nan 8.210 nan 0.000 0.418 493 W N 0.692 122.000 121.300 0.013 0.000 2.332 493 W HA -0.263 4.319 4.660 -0.130 0.000 0.321 493 W C 2.410 178.976 176.519 0.080 0.000 1.219 493 W CA 2.208 59.597 57.345 0.074 0.000 1.277 493 W CB -0.744 28.785 29.460 0.114 0.000 1.161 493 W HN 0.237 nan 8.180 nan 0.000 0.476 494 I N 1.018 121.610 120.570 0.037 0.000 2.394 494 I HA -0.016 4.077 4.170 -0.129 0.000 0.251 494 I C 2.379 178.369 176.117 -0.211 0.000 1.136 494 I CA 2.126 63.304 61.300 -0.203 0.000 1.425 494 I CB -1.065 36.975 38.000 0.068 0.000 1.079 494 I HN 0.095 nan 8.210 nan 0.000 0.425 495 G N -0.312 108.392 108.800 -0.161 0.000 2.414 495 G HA2 -0.158 3.724 3.960 -0.129 0.000 0.215 495 G HA3 -0.158 3.724 3.960 -0.129 0.000 0.215 495 G C 1.709 176.557 174.900 -0.086 0.000 1.188 495 G CA 0.517 45.421 45.100 -0.327 0.000 0.783 495 G HN 0.508 nan 8.290 nan 0.000 0.537 496 G N 0.511 109.364 108.800 0.090 0.000 2.432 496 G HA2 -0.175 3.707 3.960 -0.129 0.000 0.219 496 G HA3 -0.175 3.707 3.960 -0.129 0.000 0.219 496 G C 1.612 176.511 174.900 -0.001 0.000 1.135 496 G CA 0.998 46.169 45.100 0.119 0.000 0.767 496 G HN 0.533 nan 8.290 nan 0.000 0.550 497 N N 0.234 118.855 118.700 -0.131 0.000 2.446 497 N HA 0.209 4.871 4.740 -0.129 0.000 0.179 497 N C 2.182 177.614 175.510 -0.130 0.000 1.054 497 N CA 0.500 53.452 53.050 -0.163 0.000 0.905 497 N CB 0.090 38.356 38.487 -0.369 0.000 0.973 497 N HN 0.314 nan 8.380 nan 0.000 0.448 498 A N 0.722 123.461 122.820 -0.136 0.000 2.072 498 A HA 0.014 4.257 4.320 -0.129 0.000 0.216 498 A C 0.735 178.289 177.584 -0.050 0.000 1.156 498 A CA 0.387 52.361 52.037 -0.106 0.000 0.701 498 A CB 0.008 18.922 19.000 -0.143 0.000 0.816 498 A HN 0.240 nan 8.150 nan 0.000 0.458 499 E N 1.197 121.390 120.200 -0.011 0.000 2.418 499 E HA 0.162 4.435 4.350 -0.129 0.000 0.261 499 E C -2.243 174.367 176.600 0.016 0.000 1.070 499 E CA -1.568 54.853 56.400 0.034 0.000 0.931 499 E CB 0.318 30.072 29.700 0.090 0.000 0.954 499 E HN 0.331 nan 8.360 nan 0.000 0.439 500 P HA 0.002 nan 4.420 nan 0.000 0.274 500 P C -0.692 176.614 177.300 0.011 0.000 1.231 500 P CA 0.049 63.156 63.100 0.012 0.000 0.790 500 P CB 0.627 32.336 31.700 0.014 0.000 0.951 501 M N 1.683 121.285 119.600 0.004 0.000 2.217 501 M HA 0.110 4.513 4.480 -0.129 0.000 0.354 501 M C 0.788 177.088 176.300 -0.001 0.000 1.225 501 M CA -0.525 54.774 55.300 -0.003 0.000 1.137 501 M CB 0.649 33.245 32.600 -0.005 0.000 1.576 501 M HN 0.178 nan 8.290 nan 0.000 0.461 502 V N 0.442 120.355 119.914 -0.002 0.000 3.287 502 V HA 0.120 4.162 4.120 -0.129 0.000 0.306 502 V C 0.319 176.409 176.094 -0.008 0.000 1.103 502 V CA -0.724 61.578 62.300 0.003 0.000 1.159 502 V CB 0.236 32.067 31.823 0.013 0.000 1.036 502 V HN 0.873 nan 8.190 nan 0.000 0.487 503 E N 1.675 121.871 120.200 -0.007 0.000 2.465 503 E HA 0.093 4.366 4.350 -0.129 0.000 0.260 503 E C 0.680 177.267 176.600 -0.022 0.000 0.980 503 E CA 0.296 56.687 56.400 -0.014 0.000 0.927 503 E CB 0.119 29.812 29.700 -0.012 0.000 0.934 503 E HN 0.694 nan 8.360 nan 0.000 0.459 504 R N 0.770 121.252 120.500 -0.030 0.000 4.024 504 R HA -0.227 4.036 4.340 -0.129 0.000 0.391 504 R C 0.461 176.730 176.300 -0.052 0.000 1.157 504 R CA 0.922 56.997 56.100 -0.042 0.000 1.215 504 R CB -2.098 28.179 30.300 -0.038 0.000 1.738 504 R HN 0.648 nan 8.270 nan 0.000 0.566 505 G N -0.581 108.193 108.800 -0.044 0.000 2.671 505 G HA2 0.536 4.419 3.960 -0.129 0.000 0.275 505 G HA3 0.536 4.419 3.960 -0.129 0.000 0.275 505 G C 0.472 175.345 174.900 -0.046 0.000 1.368 505 G CA -0.480 44.589 45.100 -0.052 0.000 1.044 505 G HN 0.043 nan 8.290 nan 0.000 0.543 506 R N -0.769 119.705 120.500 -0.042 0.000 2.563 506 R HA 0.268 4.530 4.340 -0.129 0.000 0.443 506 R C -0.484 175.775 176.300 -0.068 0.000 0.956 506 R CA -0.006 56.098 56.100 0.006 0.000 1.141 506 R CB 0.427 30.823 30.300 0.160 0.000 1.553 506 R HN 0.573 nan 8.270 nan 0.000 0.577 507 V N -4.304 115.529 119.914 -0.135 0.000 3.178 507 V HA 0.875 4.918 4.120 -0.129 0.000 0.302 507 V C 0.303 176.349 176.094 -0.079 0.000 1.262 507 V CA -0.995 61.204 62.300 -0.169 0.000 1.030 507 V CB 1.663 33.266 31.823 -0.367 0.000 1.074 507 V HN 0.057 nan 8.190 nan 0.000 0.438 508 G N 0.527 109.302 108.800 -0.041 0.000 2.553 508 G HA2 0.540 4.422 3.960 -0.129 0.000 0.278 508 G HA3 0.540 4.422 3.960 -0.129 0.000 0.278 508 G C -1.749 173.169 174.900 0.031 0.000 1.349 508 G CA -0.687 44.417 45.100 0.008 0.000 1.037 508 G HN 0.658 nan 8.290 nan 0.000 0.508 509 P HA -0.103 nan 4.420 nan 0.000 0.214 509 P C 2.134 179.495 177.300 0.101 0.000 1.163 509 P CA 0.469 63.632 63.100 0.105 0.000 0.883 509 P CB 0.064 31.826 31.700 0.103 0.000 0.788 510 L N -1.277 119.996 121.223 0.084 0.000 2.046 510 L HA -0.127 4.136 4.340 -0.129 0.000 0.208 510 L C 2.076 178.964 176.870 0.031 0.000 1.077 510 L CA 1.925 56.810 54.840 0.074 0.000 0.747 510 L CB -1.529 40.583 42.059 0.087 0.000 0.896 510 L HN -0.137 nan 8.230 nan 0.000 0.432 511 L N -0.385 120.843 121.223 0.009 0.000 2.156 511 L HA 0.008 4.271 4.340 -0.129 0.000 0.208 511 L C 2.607 179.422 176.870 -0.092 0.000 1.095 511 L CA 1.744 56.557 54.840 -0.044 0.000 0.770 511 L CB -1.483 40.529 42.059 -0.077 0.000 0.914 511 L HN 0.345 nan 8.230 nan 0.000 0.439 512 A N -1.664 121.115 122.820 -0.069 0.000 1.930 512 A HA -0.263 3.980 4.320 -0.129 0.000 0.217 512 A C 2.584 179.995 177.584 -0.289 0.000 1.175 512 A CA 1.611 53.609 52.037 -0.065 0.000 0.627 512 A CB -1.291 17.765 19.000 0.094 0.000 0.815 512 A HN 0.575 nan 8.150 nan 0.000 0.443 513 c N -0.422 117.966 118.600 -0.354 0.000 2.462 513 c HA 0.004 4.496 4.570 -0.129 0.000 0.278 513 c C 2.583 176.268 174.090 -0.675 0.000 1.253 513 c CA 1.210 56.944 56.329 -0.991 0.000 1.713 513 c CB -1.530 40.715 42.510 -0.441 0.000 2.049 513 c HN 0.563 nan 8.230 nan 0.000 0.477 514 L N 0.553 121.670 121.223 -0.176 0.000 2.056 514 L HA -0.095 4.168 4.340 -0.129 0.000 0.207 514 L C 2.680 179.632 176.870 0.136 0.000 1.078 514 L CA 1.370 56.275 54.840 0.109 0.000 0.749 514 L CB -0.593 41.518 42.059 0.087 0.000 0.901 514 L HN 0.407 nan 8.230 nan 0.000 0.433 515 L N -0.658 120.596 121.223 0.051 0.000 2.023 515 L HA -0.057 4.206 4.340 -0.129 0.000 0.205 515 L C 2.752 179.692 176.870 0.117 0.000 1.073 515 L CA 1.316 56.261 54.840 0.175 0.000 0.745 515 L CB -1.251 40.886 42.059 0.129 0.000 0.900 515 L HN 0.284 nan 8.230 nan 0.000 0.435 516 G N -0.256 108.500 108.800 -0.073 0.000 2.469 516 G HA2 -0.282 3.600 3.960 -0.129 0.000 0.219 516 G HA3 -0.282 3.600 3.960 -0.129 0.000 0.219 516 G C 1.768 176.662 174.900 -0.010 0.000 1.150 516 G CA 0.702 45.768 45.100 -0.056 0.000 0.763 516 G HN 0.233 nan 8.290 nan 0.000 0.561 517 R N -0.581 119.801 120.500 -0.197 0.000 2.070 517 R HA -0.083 4.180 4.340 -0.129 0.000 0.232 517 R C 2.729 179.059 176.300 0.049 0.000 1.138 517 R CA 1.627 57.676 56.100 -0.086 0.000 0.936 517 R CB -0.435 29.739 30.300 -0.211 0.000 0.839 517 R HN 0.360 nan 8.270 nan 0.000 0.429 518 Q N 0.114 119.964 119.800 0.083 0.000 2.077 518 Q HA -0.181 4.082 4.340 -0.129 0.000 0.206 518 Q C 1.723 177.556 176.000 -0.278 0.000 0.989 518 Q CA 1.923 57.611 55.803 -0.190 0.000 0.853 518 Q CB -0.285 27.903 28.738 -0.916 0.000 0.907 518 Q HN 0.217 nan 8.270 nan 0.000 0.418 519 F N 0.362 120.280 119.950 -0.054 0.000 2.146 519 F HA -0.128 4.322 4.527 -0.128 0.000 0.298 519 F C 2.488 178.446 175.800 0.263 0.000 1.096 519 F CA 1.517 59.578 58.000 0.102 0.000 1.275 519 F CB -0.626 38.331 39.000 -0.072 0.000 1.008 519 F HN 0.255 nan 8.300 nan 0.000 0.480 520 Q N 0.820 120.824 119.800 0.339 0.000 2.084 520 Q HA -0.239 4.023 4.340 -0.129 0.000 0.202 520 Q C 2.013 178.094 176.000 0.136 0.000 0.978 520 Q CA 1.767 57.718 55.803 0.246 0.000 0.844 520 Q CB -0.414 28.445 28.738 0.201 0.000 0.898 520 Q HN 0.499 nan 8.270 nan 0.000 0.426 521 Q N 0.297 120.159 119.800 0.104 0.000 2.050 521 Q HA -0.109 4.154 4.340 -0.129 0.000 0.202 521 Q C 2.208 178.254 176.000 0.077 0.000 0.980 521 Q CA 1.759 57.604 55.803 0.070 0.000 0.840 521 Q CB -0.213 28.569 28.738 0.073 0.000 0.898 521 Q HN 0.669 nan 8.270 nan 0.000 0.424 522 I N -1.982 118.634 120.570 0.077 0.000 3.444 522 I HA -0.025 4.068 4.170 -0.129 0.000 0.287 522 I C 2.098 178.297 176.117 0.136 0.000 1.302 522 I CA 0.593 61.964 61.300 0.119 0.000 1.368 522 I CB -0.111 37.936 38.000 0.079 0.000 1.048 522 I HN 0.045 nan 8.210 nan 0.000 0.487 523 R N 1.581 122.056 120.500 -0.041 0.000 2.121 523 R HA -0.021 4.242 4.340 -0.129 0.000 0.206 523 R C 1.246 177.363 176.300 -0.305 0.000 1.094 523 R CA 1.033 56.792 56.100 -0.569 0.000 1.055 523 R CB -0.145 29.463 30.300 -1.153 0.000 0.964 523 R HN 0.238 nan 8.270 nan 0.000 0.473 524 D N 0.177 120.532 120.400 -0.075 0.000 2.310 524 D HA -0.040 4.522 4.640 -0.129 0.000 0.212 524 D C 1.317 177.686 176.300 0.114 0.000 0.965 524 D CA 1.249 55.282 54.000 0.055 0.000 0.879 524 D CB -0.107 40.697 40.800 0.007 0.000 0.921 524 D HN 0.519 nan 8.370 nan 0.000 0.510 525 G N -0.502 108.400 108.800 0.169 0.000 3.126 525 G HA2 -0.051 3.832 3.960 -0.129 0.000 0.224 525 G HA3 -0.051 3.832 3.960 -0.129 0.000 0.224 525 G C 0.071 175.284 174.900 0.521 0.000 1.142 525 G CA -0.262 44.999 45.100 0.268 0.000 0.759 525 G HN 0.002 nan 8.290 nan 0.000 0.550 526 D N 0.303 120.995 120.400 0.487 0.000 2.359 526 D HA 0.212 4.775 4.640 -0.129 0.000 0.230 526 D C 1.493 177.884 176.300 0.153 0.000 1.118 526 D CA -0.628 53.613 54.000 0.401 0.000 0.844 526 D CB 1.111 42.202 40.800 0.485 0.000 1.059 526 D HN 0.069 nan 8.370 nan 0.000 0.493 527 R N 2.779 123.056 120.500 -0.371 0.000 2.159 527 R HA -0.089 4.173 4.340 -0.129 0.000 0.237 527 R C 0.822 176.705 176.300 -0.694 0.000 1.131 527 R CA 1.234 56.692 56.100 -1.070 0.000 0.982 527 R CB -0.033 29.503 30.300 -1.273 0.000 0.868 527 R HN 0.421 nan 8.270 nan 0.000 0.453 528 F N -0.620 119.249 119.950 -0.135 0.000 2.639 528 F HA 0.136 4.584 4.527 -0.132 0.000 0.300 528 F C 0.468 176.326 175.800 0.097 0.000 1.109 528 F CA -0.867 57.097 58.000 -0.060 0.000 1.335 528 F CB 0.072 39.010 39.000 -0.105 0.000 1.014 528 F HN 0.107 nan 8.300 nan 0.000 0.537 529 W N 3.188 124.547 121.300 0.097 0.000 2.257 529 W HA -0.139 4.461 4.660 -0.100 0.000 0.337 529 W C 1.309 177.895 176.519 0.112 0.000 1.321 529 W CA -0.626 56.759 57.345 0.067 0.000 1.267 529 W CB 0.431 29.809 29.460 -0.136 0.000 1.187 529 W HN 0.507 nan 8.180 nan 0.000 0.565 530 W N 4.981 125.948 121.300 -0.556 0.000 2.331 530 W HA -0.208 4.418 4.660 -0.057 0.000 0.291 530 W C 0.873 177.382 176.519 -0.018 0.000 1.214 530 W CA 1.592 58.859 57.345 -0.129 0.000 1.228 530 W CB -0.670 28.666 29.460 -0.206 0.000 1.135 530 W HN 0.465 nan 8.180 nan 0.000 0.537 531 E N 0.758 120.296 120.200 -1.103 0.000 2.371 531 E HA -0.123 4.150 4.350 -0.129 0.000 0.194 531 E C 0.316 176.928 176.600 0.020 0.000 1.012 531 E CA 0.006 55.975 56.400 -0.719 0.000 0.860 531 E CB -0.432 28.829 29.700 -0.731 0.000 0.811 531 E HN 0.082 nan 8.360 nan 0.000 0.502 532 N N 2.772 121.597 118.700 0.208 0.000 2.417 532 N HA -0.023 4.639 4.740 -0.129 0.000 0.272 532 N C -2.642 172.946 175.510 0.129 0.000 1.304 532 N CA -1.126 52.110 53.050 0.310 0.000 0.906 532 N CB 0.463 39.097 38.487 0.246 0.000 1.135 532 N HN -0.221 nan 8.380 nan 0.000 0.483 533 P HA 0.105 nan 4.420 nan 0.000 0.262 533 P C 0.690 177.999 177.300 0.015 0.000 1.182 533 P CA 0.615 63.744 63.100 0.049 0.000 0.761 533 P CB 0.489 32.210 31.700 0.035 0.000 0.795 534 G N 1.220 110.025 108.800 0.008 0.000 2.195 534 G HA2 -0.254 3.629 3.960 -0.129 0.000 0.224 534 G HA3 -0.254 3.629 3.960 -0.129 0.000 0.224 534 G C 0.778 175.645 174.900 -0.055 0.000 0.990 534 G CA 0.145 45.229 45.100 -0.027 0.000 0.639 534 G HN 0.407 nan 8.290 nan 0.000 0.514 535 V N -0.513 119.372 119.914 -0.048 0.000 2.492 535 V HA 0.457 4.500 4.120 -0.129 0.000 0.241 535 V C 0.949 176.856 176.094 -0.312 0.000 1.041 535 V CA 1.445 63.657 62.300 -0.146 0.000 1.057 535 V CB -0.155 31.616 31.823 -0.086 0.000 0.711 535 V HN 0.250 nan 8.190 nan 0.000 0.468 536 F N 0.028 120.027 119.950 0.081 0.000 2.563 536 F HA 0.492 4.987 4.527 -0.053 0.000 0.316 536 F C 0.737 176.534 175.800 -0.006 0.000 1.076 536 F CA -0.826 57.207 58.000 0.055 0.000 0.921 536 F CB 1.648 40.736 39.000 0.147 0.000 1.209 536 F HN -0.056 nan 8.300 nan 0.000 0.462 537 T N -1.676 112.946 114.554 0.114 0.000 2.802 537 T HA 0.136 4.409 4.350 -0.129 0.000 0.305 537 T C 0.962 175.690 174.700 0.047 0.000 1.053 537 T CA -0.376 61.741 62.100 0.027 0.000 1.058 537 T CB 0.897 69.732 68.868 -0.054 0.000 0.988 537 T HN 0.735 nan 8.240 nan 0.000 0.539 538 E N 0.450 120.669 120.200 0.031 0.000 2.085 538 E HA -0.140 4.132 4.350 -0.129 0.000 0.194 538 E C 2.240 178.858 176.600 0.030 0.000 0.994 538 E CA 1.448 57.873 56.400 0.043 0.000 0.801 538 E CB -0.090 29.628 29.700 0.030 0.000 0.743 538 E HN 0.652 nan 8.360 nan 0.000 0.453 539 K N 0.285 120.675 120.400 -0.015 0.000 2.148 539 K HA -0.132 4.111 4.320 -0.129 0.000 0.204 539 K C 2.217 178.770 176.600 -0.079 0.000 1.050 539 K CA 0.998 57.265 56.287 -0.034 0.000 0.942 539 K CB 0.032 32.501 32.500 -0.051 0.000 0.724 539 K HN 0.144 nan 8.250 nan 0.000 0.446 540 Q N 0.097 119.784 119.800 -0.189 0.000 2.079 540 Q HA -0.081 4.182 4.340 -0.129 0.000 0.200 540 Q C 2.071 178.038 176.000 -0.056 0.000 0.974 540 Q CA 1.099 56.667 55.803 -0.392 0.000 0.840 540 Q CB 0.051 28.420 28.738 -0.615 0.000 0.898 540 Q HN 0.215 nan 8.270 nan 0.000 0.430 541 R N 0.676 121.221 120.500 0.074 0.000 2.081 541 R HA -0.135 4.128 4.340 -0.129 0.000 0.235 541 R C 1.722 178.142 176.300 0.201 0.000 1.131 541 R CA 1.320 57.569 56.100 0.248 0.000 0.960 541 R CB -0.164 30.339 30.300 0.337 0.000 0.856 541 R HN 0.352 nan 8.270 nan 0.000 0.436 542 D N -0.125 120.352 120.400 0.128 0.000 2.178 542 D HA -0.108 4.454 4.640 -0.129 0.000 0.201 542 D C 1.797 178.144 176.300 0.078 0.000 0.980 542 D CA 1.105 55.166 54.000 0.101 0.000 0.842 542 D CB 0.091 40.934 40.800 0.071 0.000 0.948 542 D HN 0.072 nan 8.370 nan 0.000 0.472 543 S N 0.014 115.769 115.700 0.090 0.000 2.368 543 S HA -0.037 4.355 4.470 -0.129 0.000 0.224 543 S C 2.144 176.777 174.600 0.055 0.000 1.029 543 S CA 0.429 58.701 58.200 0.120 0.000 0.988 543 S CB 0.009 63.384 63.200 0.292 0.000 0.838 543 S HN 0.172 nan 8.310 nan 0.000 0.462 544 L N 0.946 122.171 121.223 0.004 0.000 2.217 544 L HA 0.002 4.265 4.340 -0.129 0.000 0.211 544 L C 2.437 179.160 176.870 -0.245 0.000 1.107 544 L CA 0.845 55.578 54.840 -0.179 0.000 0.783 544 L CB -0.356 41.466 42.059 -0.394 0.000 0.919 544 L HN 0.307 nan 8.230 nan 0.000 0.442 545 Q N -0.082 119.633 119.800 -0.141 0.000 2.500 545 Q HA -0.150 4.113 4.340 -0.129 0.000 0.213 545 Q C 1.674 177.648 176.000 -0.044 0.000 0.974 545 Q CA 0.870 56.623 55.803 -0.084 0.000 0.918 545 Q CB 0.155 28.931 28.738 0.063 0.000 0.980 545 Q HN 0.416 nan 8.270 nan 0.000 0.505 546 K N -0.580 119.796 120.400 -0.040 0.000 2.379 546 K HA 0.134 4.377 4.320 -0.129 0.000 0.194 546 K C 0.256 176.836 176.600 -0.033 0.000 1.031 546 K CA -0.105 56.168 56.287 -0.023 0.000 1.037 546 K CB 0.360 32.853 32.500 -0.012 0.000 0.824 546 K HN 0.153 nan 8.250 nan 0.000 0.516 547 M N 1.502 121.075 119.600 -0.045 0.000 2.250 547 M HA -0.050 4.352 4.480 -0.129 0.000 0.337 547 M C -0.230 176.078 176.300 0.013 0.000 1.161 547 M CA 0.642 55.945 55.300 0.005 0.000 1.088 547 M CB 0.654 33.295 32.600 0.068 0.000 1.639 547 M HN 0.018 nan 8.290 nan 0.000 0.447 548 S N 1.832 117.563 115.700 0.052 0.000 2.541 548 S HA 0.387 4.780 4.470 -0.129 0.000 0.271 548 S C -0.079 174.569 174.600 0.079 0.000 1.133 548 S CA -1.017 57.200 58.200 0.028 0.000 0.876 548 S CB 0.954 64.136 63.200 -0.030 0.000 1.105 548 S HN 0.714 nan 8.310 nan 0.000 0.470 549 F N 2.201 122.088 119.950 -0.105 0.000 2.293 549 F HA -0.034 4.420 4.527 -0.122 0.000 0.300 549 F C 2.270 177.994 175.800 -0.125 0.000 1.086 549 F CA 1.714 59.646 58.000 -0.112 0.000 1.375 549 F CB -0.291 38.472 39.000 -0.395 0.000 1.045 549 F HN 0.652 nan 8.300 nan 0.000 0.516 550 S N 0.316 115.999 115.700 -0.029 0.000 2.348 550 S HA -0.256 4.136 4.470 -0.129 0.000 0.221 550 S C 1.972 176.491 174.600 -0.135 0.000 1.033 550 S CA 1.505 59.662 58.200 -0.072 0.000 1.010 550 S CB -0.451 62.696 63.200 -0.089 0.000 0.891 550 S HN 0.306 nan 8.310 nan 0.000 0.442 551 R N 1.363 121.785 120.500 -0.130 0.000 2.091 551 R HA -0.048 4.215 4.340 -0.129 0.000 0.238 551 R C 2.172 178.337 176.300 -0.225 0.000 1.136 551 R CA 1.214 57.227 56.100 -0.145 0.000 0.959 551 R CB -1.025 29.203 30.300 -0.119 0.000 0.856 551 R HN 0.392 nan 8.270 nan 0.000 0.437 552 L N 0.146 121.174 121.223 -0.324 0.000 2.051 552 L HA -0.182 4.081 4.340 -0.129 0.000 0.214 552 L C 2.034 178.654 176.870 -0.418 0.000 1.076 552 L CA 1.870 56.423 54.840 -0.478 0.000 0.758 552 L CB -0.264 41.346 42.059 -0.748 0.000 0.890 552 L HN 0.334 nan 8.230 nan 0.000 0.433 553 I N -1.968 118.370 120.570 -0.387 0.000 2.286 553 I HA -0.315 3.777 4.170 -0.129 0.000 0.245 553 I C 2.485 178.504 176.117 -0.164 0.000 1.104 553 I CA 1.017 62.172 61.300 -0.243 0.000 1.397 553 I CB -0.432 37.490 38.000 -0.130 0.000 1.072 553 I HN 0.390 nan 8.210 nan 0.000 0.417 554 c N 0.909 119.424 118.600 -0.141 0.000 2.413 554 c HA -0.196 4.297 4.570 -0.129 0.000 0.278 554 c C 2.374 176.381 174.090 -0.139 0.000 1.224 554 c CA 1.020 57.285 56.329 -0.106 0.000 1.732 554 c CB -0.976 41.483 42.510 -0.084 0.000 2.050 554 c HN 0.512 nan 8.230 nan 0.000 0.463 555 D N 0.376 120.676 120.400 -0.166 0.000 2.310 555 D HA -0.054 4.509 4.640 -0.129 0.000 0.212 555 D C 1.298 177.481 176.300 -0.195 0.000 0.965 555 D CA 0.965 54.861 54.000 -0.174 0.000 0.879 555 D CB -0.494 40.193 40.800 -0.188 0.000 0.921 555 D HN 0.598 nan 8.370 nan 0.000 0.510 556 N N -0.334 118.238 118.700 -0.213 0.000 2.170 556 N HA 0.033 4.695 4.740 -0.129 0.000 0.222 556 N C 0.092 175.476 175.510 -0.211 0.000 1.218 556 N CA 0.200 53.123 53.050 -0.212 0.000 0.889 556 N CB 1.680 40.035 38.487 -0.219 0.000 1.083 556 N HN 0.207 nan 8.380 nan 0.000 0.520 557 T N -3.394 111.024 114.554 -0.227 0.000 2.681 557 T HA 0.325 4.598 4.350 -0.129 0.000 0.296 557 T C -0.110 174.416 174.700 -0.290 0.000 1.157 557 T CA -0.469 61.502 62.100 -0.215 0.000 1.025 557 T CB 1.453 70.259 68.868 -0.104 0.000 1.441 557 T HN -0.029 nan 8.240 nan 0.000 0.504 558 H N -0.391 118.645 119.070 -0.057 0.000 2.519 558 H HA 0.424 4.906 4.556 -0.124 0.000 0.289 558 H C 0.255 175.547 175.328 -0.061 0.000 1.040 558 H CA -0.455 55.551 56.048 -0.069 0.000 1.165 558 H CB -0.003 29.693 29.762 -0.109 0.000 1.462 558 H HN 0.321 nan 8.280 nan 0.000 0.555 559 I N 1.751 122.333 120.570 0.020 0.000 2.556 559 I HA -0.027 4.066 4.170 -0.129 0.000 0.284 559 I C 1.330 177.481 176.117 0.056 0.000 1.114 559 I CA 0.520 61.837 61.300 0.028 0.000 1.418 559 I CB 0.977 38.999 38.000 0.037 0.000 1.394 559 I HN 0.284 nan 8.210 nan 0.000 0.552 560 T N 2.033 116.641 114.554 0.089 0.000 3.040 560 T HA 0.254 4.527 4.350 -0.129 0.000 0.266 560 T C 0.510 175.296 174.700 0.142 0.000 1.005 560 T CA -0.260 61.895 62.100 0.092 0.000 0.906 560 T CB 0.240 69.153 68.868 0.075 0.000 1.082 560 T HN 0.505 nan 8.240 nan 0.000 0.531 561 K N 1.731 122.270 120.400 0.232 0.000 2.397 561 K HA 0.707 4.950 4.320 -0.129 0.000 0.253 561 K C -1.157 175.736 176.600 0.489 0.000 0.932 561 K CA -0.916 55.574 56.287 0.339 0.000 0.795 561 K CB 3.031 35.788 32.500 0.428 0.000 1.159 561 K HN 0.192 nan 8.250 nan 0.000 0.424 562 V N -0.939 119.215 119.914 0.400 0.000 3.178 562 V HA 0.619 4.662 4.120 -0.129 0.000 0.302 562 V C -2.922 173.070 176.094 -0.171 0.000 1.262 562 V CA -2.420 60.040 62.300 0.267 0.000 1.030 562 V CB 1.892 33.784 31.823 0.115 0.000 1.074 562 V HN 0.568 nan 8.190 nan 0.000 0.438 563 P HA 0.348 nan 4.420 nan 0.000 0.276 563 P C 0.078 177.177 177.300 -0.335 0.000 1.252 563 P CA -0.250 62.501 63.100 -0.583 0.000 0.802 563 P CB 1.607 32.914 31.700 -0.655 0.000 1.035 564 L N 0.529 121.529 121.223 -0.372 0.000 2.145 564 L HA 0.072 4.334 4.340 -0.129 0.000 0.201 564 L C 1.231 177.808 176.870 -0.488 0.000 1.075 564 L CA 1.592 56.164 54.840 -0.447 0.000 0.773 564 L CB -1.395 40.302 42.059 -0.602 0.000 0.936 564 L HN 0.402 nan 8.230 nan 0.000 0.451 565 H N -0.898 118.098 119.070 -0.123 0.000 2.597 565 H HA 0.432 4.911 4.556 -0.128 0.000 0.303 565 H C 0.585 175.829 175.328 -0.140 0.000 1.057 565 H CA 0.258 56.255 56.048 -0.085 0.000 1.261 565 H CB 1.211 30.945 29.762 -0.047 0.000 1.397 565 H HN 0.085 nan 8.280 nan 0.000 0.461 566 A N 2.978 125.717 122.820 -0.136 0.000 2.195 566 A HA 0.055 4.298 4.320 -0.129 0.000 0.210 566 A C 1.078 178.497 177.584 -0.276 0.000 1.165 566 A CA 0.121 52.000 52.037 -0.264 0.000 0.806 566 A CB -0.143 18.653 19.000 -0.341 0.000 0.847 566 A HN 0.416 nan 8.150 nan 0.000 0.482 567 F N 0.763 120.734 119.950 0.036 0.000 2.473 567 F HA 0.086 4.533 4.527 -0.133 0.000 0.294 567 F C 1.594 177.425 175.800 0.052 0.000 1.103 567 F CA 0.357 58.410 58.000 0.089 0.000 1.442 567 F CB -0.269 38.839 39.000 0.179 0.000 1.097 567 F HN 0.389 nan 8.300 nan 0.000 0.547 568 Q N 1.130 121.033 119.800 0.172 0.000 2.382 568 Q HA 0.537 4.799 4.340 -0.129 0.000 0.229 568 Q C -0.081 175.944 176.000 0.042 0.000 1.006 568 Q CA -0.597 55.244 55.803 0.063 0.000 0.916 568 Q CB 0.864 29.616 28.738 0.025 0.000 1.235 568 Q HN 0.126 nan 8.270 nan 0.000 0.512 569 A N 2.190 125.024 122.820 0.022 0.000 2.488 569 A HA 0.233 4.476 4.320 -0.129 0.000 0.249 569 A C -0.819 176.778 177.584 0.022 0.000 1.083 569 A CA -0.300 51.760 52.037 0.038 0.000 0.768 569 A CB -0.468 18.554 19.000 0.036 0.000 1.017 569 A HN 0.815 nan 8.150 nan 0.000 0.496 570 N N 2.177 120.900 118.700 0.038 0.000 2.352 570 N HA 0.254 4.916 4.740 -0.129 0.000 0.291 570 N C -1.296 174.327 175.510 0.189 0.000 1.040 570 N CA -0.660 52.393 53.050 0.005 0.000 0.864 570 N CB 1.516 39.863 38.487 -0.233 0.000 1.440 570 N HN 0.673 nan 8.380 nan 0.000 0.483 571 N N 1.529 120.332 118.700 0.173 0.000 2.455 571 N HA 0.101 4.764 4.740 -0.129 0.000 0.280 571 N C -1.232 174.473 175.510 0.325 0.000 1.055 571 N CA -0.105 53.082 53.050 0.228 0.000 0.961 571 N CB 1.344 39.920 38.487 0.148 0.000 1.121 571 N HN 0.499 nan 8.380 nan 0.000 0.476 572 Y N 4.089 124.437 120.300 0.081 0.000 2.308 572 Y HA 0.367 4.838 4.550 -0.131 0.000 0.329 572 Y C -1.682 174.175 175.900 -0.071 0.000 1.111 572 Y CA -0.036 57.939 58.100 -0.209 0.000 1.179 572 Y CB 0.895 38.819 38.460 -0.893 0.000 1.201 572 Y HN 0.676 nan 8.280 nan 0.000 0.483 573 P HA -0.227 nan 4.420 nan 0.000 0.535 573 P C 0.502 177.607 177.300 -0.324 0.000 0.854 573 P CA 1.514 64.020 63.100 -0.991 0.000 2.509 573 P CB -0.920 30.480 31.700 -0.499 0.000 1.141 574 H N 0.979 119.936 119.070 -0.188 0.000 2.266 574 H HA -0.182 4.298 4.556 -0.127 0.000 0.286 574 H C 1.151 176.471 175.328 -0.014 0.000 1.102 574 H CA 2.812 58.820 56.048 -0.066 0.000 1.182 574 H CB -0.763 28.977 29.762 -0.037 0.000 1.345 574 H HN 0.235 nan 8.280 nan 0.000 0.485 575 D N -0.700 119.594 120.400 -0.175 0.000 2.363 575 D HA -0.031 4.532 4.640 -0.129 0.000 0.220 575 D C -0.216 175.927 176.300 -0.261 0.000 0.994 575 D CA 0.256 54.076 54.000 -0.300 0.000 0.890 575 D CB -0.210 40.440 40.800 -0.249 0.000 0.906 575 D HN 0.190 nan 8.370 nan 0.000 0.530 576 F N 1.144 120.993 119.950 -0.167 0.000 2.405 576 F HA 0.196 4.646 4.527 -0.128 0.000 0.355 576 F C 0.708 176.464 175.800 -0.073 0.000 1.121 576 F CA -1.093 56.850 58.000 -0.095 0.000 1.112 576 F CB 1.149 40.133 39.000 -0.026 0.000 1.126 576 F HN -0.319 nan 8.300 nan 0.000 0.481 577 V N -0.230 119.716 119.914 0.054 0.000 2.975 577 V HA 0.536 4.578 4.120 -0.129 0.000 0.318 577 V C -0.439 175.700 176.094 0.074 0.000 1.077 577 V CA -1.062 61.260 62.300 0.036 0.000 1.000 577 V CB 1.754 33.560 31.823 -0.028 0.000 1.066 577 V HN 0.628 nan 8.190 nan 0.000 0.452 578 D N 0.898 121.332 120.400 0.057 0.000 2.382 578 D HA 0.176 4.739 4.640 -0.129 0.000 0.245 578 D C 1.012 177.332 176.300 0.033 0.000 1.120 578 D CA 0.196 54.232 54.000 0.060 0.000 0.890 578 D CB 1.347 42.174 40.800 0.045 0.000 1.201 578 D HN 0.699 nan 8.370 nan 0.000 0.433 579 c N 1.693 120.313 118.600 0.035 0.000 2.398 579 c HA -0.163 4.329 4.570 -0.129 0.000 0.279 579 c C 2.705 176.789 174.090 -0.011 0.000 1.250 579 c CA 1.010 57.343 56.329 0.006 0.000 1.786 579 c CB -1.086 41.424 42.510 0.001 0.000 2.018 579 c HN 0.706 nan 8.230 nan 0.000 0.494 580 S N 0.405 116.103 115.700 -0.004 0.000 2.419 580 S HA -0.115 4.278 4.470 -0.129 0.000 0.235 580 S C 1.943 176.534 174.600 -0.016 0.000 1.019 580 S CA 1.220 59.414 58.200 -0.011 0.000 0.982 580 S CB -0.254 62.944 63.200 -0.004 0.000 0.789 580 S HN 0.779 nan 8.310 nan 0.000 0.490 581 A N 0.693 123.503 122.820 -0.017 0.000 2.169 581 A HA 0.249 4.491 4.320 -0.129 0.000 0.212 581 A C 0.768 178.329 177.584 -0.039 0.000 1.153 581 A CA 0.141 52.164 52.037 -0.024 0.000 0.756 581 A CB -0.003 18.983 19.000 -0.024 0.000 0.813 581 A HN 0.263 nan 8.150 nan 0.000 0.471 582 V N 1.814 121.701 119.914 -0.044 0.000 2.406 582 V HA 0.143 4.185 4.120 -0.129 0.000 0.272 582 V C -0.543 175.520 176.094 -0.051 0.000 1.043 582 V CA -0.992 61.273 62.300 -0.058 0.000 0.915 582 V CB 0.775 32.557 31.823 -0.069 0.000 0.988 582 V HN 0.321 nan 8.190 nan 0.000 0.466 583 D N 4.080 124.452 120.400 -0.047 0.000 2.583 583 D HA 0.060 4.623 4.640 -0.129 0.000 0.232 583 D C 0.276 176.548 176.300 -0.047 0.000 1.128 583 D CA 0.926 54.903 54.000 -0.038 0.000 0.859 583 D CB 0.434 41.216 40.800 -0.030 0.000 1.169 583 D HN 0.484 nan 8.370 nan 0.000 0.481 584 K N 1.358 121.732 120.400 -0.043 0.000 2.123 584 K HA 0.419 4.661 4.320 -0.129 0.000 0.248 584 K C -0.477 176.092 176.600 -0.051 0.000 0.969 584 K CA -1.190 55.063 56.287 -0.056 0.000 0.882 584 K CB 1.523 33.991 32.500 -0.053 0.000 1.080 584 K HN 0.264 nan 8.250 nan 0.000 0.441 585 L N 2.039 123.217 121.223 -0.075 0.000 2.313 585 L HA 0.122 4.385 4.340 -0.129 0.000 0.282 585 L C -0.511 176.330 176.870 -0.049 0.000 1.092 585 L CA 0.096 54.892 54.840 -0.072 0.000 0.831 585 L CB 0.394 42.372 42.059 -0.135 0.000 1.159 585 L HN 0.434 nan 8.230 nan 0.000 0.442 586 D N 4.614 125.020 120.400 0.010 0.000 2.422 586 D HA 0.107 4.669 4.640 -0.129 0.000 0.227 586 D C 0.759 177.131 176.300 0.119 0.000 1.190 586 D CA 0.150 54.177 54.000 0.045 0.000 0.905 586 D CB 0.391 41.227 40.800 0.060 0.000 1.034 586 D HN 0.686 nan 8.370 nan 0.000 0.507 587 L N 2.695 123.949 121.223 0.050 0.000 2.675 587 L HA -0.046 4.217 4.340 -0.129 0.000 0.239 587 L C 2.123 179.158 176.870 0.274 0.000 1.151 587 L CA 0.160 55.062 54.840 0.103 0.000 0.905 587 L CB -0.323 41.669 42.059 -0.111 0.000 1.057 587 L HN 0.393 nan 8.230 nan 0.000 0.435 588 S N -0.198 115.620 115.700 0.196 0.000 2.423 588 S HA -0.037 4.356 4.470 -0.129 0.000 0.231 588 S C -0.529 174.164 174.600 0.155 0.000 1.014 588 S CA 0.393 58.676 58.200 0.139 0.000 0.965 588 S CB -1.146 62.095 63.200 0.069 0.000 0.785 588 S HN 0.254 nan 8.310 nan 0.000 0.495 589 P HA 0.047 nan 4.420 nan 0.000 0.237 589 P C 0.425 177.684 177.300 -0.067 0.000 1.178 589 P CA 0.560 63.654 63.100 -0.010 0.000 0.766 589 P CB -0.216 31.381 31.700 -0.172 0.000 0.876 590 W N 0.033 121.366 121.300 0.056 0.000 3.400 590 W HA 0.427 5.018 4.660 -0.115 0.000 0.347 590 W C 0.371 176.879 176.519 -0.018 0.000 1.218 590 W CA -0.600 56.808 57.345 0.106 0.000 1.837 590 W CB -0.128 29.418 29.460 0.142 0.000 1.067 590 W HN -0.106 nan 8.180 nan 0.000 0.701 591 A N 0.690 123.558 122.820 0.080 0.000 2.371 591 A HA 0.379 4.622 4.320 -0.129 0.000 0.257 591 A C 0.156 177.716 177.584 -0.039 0.000 1.089 591 A CA 0.106 52.114 52.037 -0.049 0.000 0.794 591 A CB 0.861 19.843 19.000 -0.030 0.000 1.029 591 A HN -0.019 nan 8.150 nan 0.000 0.488 592 S N 1.011 116.646 115.700 -0.109 0.000 2.539 592 S HA 0.331 4.723 4.470 -0.129 0.000 0.235 592 S C -0.414 174.180 174.600 -0.009 0.000 1.326 592 S CA -0.618 57.578 58.200 -0.007 0.000 1.183 592 S CB -0.122 63.119 63.200 0.067 0.000 1.073 592 S HN 0.640 nan 8.310 nan 0.000 0.480 593 R N 3.023 123.528 120.500 0.008 0.000 2.291 593 R HA 0.157 4.420 4.340 -0.129 0.000 0.333 593 R C 0.694 177.009 176.300 0.025 0.000 1.082 593 R CA -0.226 55.878 56.100 0.007 0.000 0.948 593 R CB 0.421 30.723 30.300 0.004 0.000 1.009 593 R HN 0.546 nan 8.270 nan 0.000 0.460 594 E N 1.876 122.091 120.200 0.025 0.000 2.005 594 E HA -0.194 4.079 4.350 -0.129 0.000 0.198 594 E C 0.159 176.776 176.600 0.028 0.000 1.010 594 E CA 1.413 57.835 56.400 0.037 0.000 0.825 594 E CB -0.057 29.663 29.700 0.034 0.000 0.769 594 E HN 0.474 nan 8.360 nan 0.000 0.456 595 N N 0.000 118.711 118.700 0.019 0.000 1.763 595 N HA 0.000 4.663 4.740 -0.129 0.000 0.220 595 N CA 0.000 53.059 53.050 0.015 0.000 0.885 595 N CB 0.000 38.494 38.487 0.011 0.000 1.341 595 N HN 0.000 nan 8.380 nan 0.000 0.667