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 2c11_1_B DATA FIRST_RESID 58 DATA SEQUENCE QLFADLSREE LTAVMRFLTQ RLGPGLVDAA QARPSDNCVF SVELQLPPKA DATA SEQUENCE AALAHLDRGS PPPAREALAI VFFGRQPQPN VSELVVGPLP HPSYMRDVTV DATA SEQUENCE ERHGGPLPYH RRPVLFQEYL DIDQMIFNRE LPQASGLLHH CCFYKHRGRN DATA SEQUENCE LVTMTTAPRG LQSGDRATWF GLYYNISGAG FFLHHVGLEL LVNHKALDPA DATA SEQUENCE RWTIQKVFYQ GRYYDSLAQL EAQFEAGLVN VVLIPDNGTG GSWSLKSPVP DATA SEQUENCE PGPAPPLQFY PQGPRFSVQG SRVASSLWTF SFGLGAFSGP RIFDVRFQGE DATA SEQUENCE RLVYEISLQE ALAIYGGNSP AAMTTRYVDG GFGMGKYTTP LTRGVDcPYL DATA SEQUENCE ATYVDWHFLL ESQAPKTIRD AFcVFEQNQG LPLRRHHSDL YSHYFGGLAE DATA SEQUENCE TVLVVRSMST LLNXDYVWDT VFHPSGAIEI RFYATGYISS AFLFGATGKY DATA SEQUENCE GNQVSEHTLG TVHTHSAHFK VDLDVAGLEN WVWAEDMVFV PMAVPWSPEH DATA SEQUENCE QLQRLQVTRK LLEMEEQAAF LVGSATPRYL YLASNHSNKW GHPRGYRIQM DATA SEQUENCE LSFAGEPLPQ NSSMARGFSW ERYQLAVTQR KEEEPSSSSV FNQNDPWAPT DATA SEQUENCE VDFSDFINNE TIAGKDLVAW VTAGFLHIPH AEDIPNTVTV GNGVGFFLRP DATA SEQUENCE YNFFDEDPSF YSADSIYFRG DQ 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 58 Q HA 0.000 nan 4.340 nan 0.000 0.214 58 Q C 0.000 175.873 176.000 -0.212 0.000 1.003 58 Q CA 0.000 55.735 55.803 -0.113 0.000 1.022 58 Q CB 0.000 28.686 28.738 -0.087 0.000 1.108 59 L N 1.339 122.327 121.223 -0.391 0.000 2.395 59 L HA 0.261 4.599 4.340 -0.003 0.000 0.218 59 L C 0.234 176.634 176.870 -0.783 0.000 1.130 59 L CA 1.524 55.975 54.840 -0.649 0.000 0.826 59 L CB 0.203 41.725 42.059 -0.895 0.000 0.941 59 L HN 0.689 nan 8.230 nan 0.000 0.451 60 F N -0.209 119.623 119.950 -0.197 0.000 2.928 60 F HA 0.507 5.032 4.527 -0.003 0.000 0.337 60 F C 0.581 176.273 175.800 -0.181 0.000 1.259 60 F CA -0.520 57.292 58.000 -0.313 0.000 1.267 60 F CB -0.195 38.458 39.000 -0.577 0.000 0.986 60 F HN -0.058 nan 8.300 nan 0.000 0.507 61 A N 0.157 122.964 122.820 -0.023 0.000 2.252 61 A HA 0.427 4.745 4.320 -0.003 0.000 0.309 61 A C -0.326 177.295 177.584 0.061 0.000 1.285 61 A CA -0.712 51.326 52.037 0.003 0.000 0.900 61 A CB -0.003 18.974 19.000 -0.037 0.000 1.157 61 A HN 0.295 nan 8.150 nan 0.000 0.536 62 D N 1.539 122.031 120.400 0.154 0.000 2.515 62 D HA 0.112 4.750 4.640 -0.003 0.000 0.232 62 D C 0.478 176.858 176.300 0.133 0.000 1.157 62 D CA 0.683 54.813 54.000 0.216 0.000 0.871 62 D CB 0.244 41.299 40.800 0.424 0.000 1.200 62 D HN 0.514 nan 8.370 nan 0.000 0.466 63 L N 1.527 122.804 121.223 0.089 0.000 2.628 63 L HA -0.079 4.259 4.340 -0.003 0.000 0.292 63 L C 1.110 177.991 176.870 0.019 0.000 1.250 63 L CA 0.163 55.018 54.840 0.025 0.000 0.892 63 L CB -0.201 41.859 42.059 0.002 0.000 1.138 63 L HN 0.511 nan 8.230 nan 0.000 0.502 64 S N 3.503 119.188 115.700 -0.025 0.000 2.632 64 S HA 0.196 4.664 4.470 -0.003 0.000 0.267 64 S C 1.063 175.558 174.600 -0.175 0.000 1.276 64 S CA -0.636 57.520 58.200 -0.072 0.000 0.998 64 S CB 1.499 64.643 63.200 -0.093 0.000 0.953 64 S HN 0.724 nan 8.310 nan 0.000 0.547 65 R N 0.568 120.837 120.500 -0.384 0.000 2.112 65 R HA -0.200 4.138 4.340 -0.003 0.000 0.242 65 R C 1.804 177.970 176.300 -0.224 0.000 1.137 65 R CA 2.307 58.162 56.100 -0.408 0.000 0.944 65 R CB -0.573 29.381 30.300 -0.577 0.000 0.857 65 R HN 0.824 nan 8.270 nan 0.000 0.435 66 E N 0.270 120.358 120.200 -0.185 0.000 2.028 66 E HA -0.151 4.197 4.350 -0.003 0.000 0.191 66 E C 1.884 178.419 176.600 -0.108 0.000 0.988 66 E CA 1.482 57.807 56.400 -0.126 0.000 0.799 66 E CB -0.108 29.526 29.700 -0.109 0.000 0.755 66 E HN 0.383 nan 8.360 nan 0.000 0.447 67 E N 0.109 120.241 120.200 -0.114 0.000 2.114 67 E HA -0.233 4.115 4.350 -0.003 0.000 0.199 67 E C 2.014 178.564 176.600 -0.083 0.000 1.008 67 E CA 1.161 57.499 56.400 -0.104 0.000 0.810 67 E CB -0.182 29.459 29.700 -0.098 0.000 0.739 67 E HN 0.187 nan 8.360 nan 0.000 0.456 68 L N 0.146 121.316 121.223 -0.088 0.000 2.042 68 L HA -0.211 4.128 4.340 -0.003 0.000 0.210 68 L C 2.575 179.408 176.870 -0.061 0.000 1.076 68 L CA 1.370 56.163 54.840 -0.077 0.000 0.749 68 L CB -0.607 41.385 42.059 -0.111 0.000 0.893 68 L HN 0.189 nan 8.230 nan 0.000 0.432 69 T N -0.115 114.396 114.554 -0.072 0.000 2.720 69 T HA -0.192 4.156 4.350 -0.003 0.000 0.268 69 T C 1.992 176.684 174.700 -0.012 0.000 1.037 69 T CA 1.415 63.485 62.100 -0.049 0.000 1.144 69 T CB -0.250 68.583 68.868 -0.058 0.000 0.864 69 T HN 0.465 nan 8.240 nan 0.000 0.444 70 A N 0.766 123.577 122.820 -0.014 0.000 1.969 70 A HA 0.013 4.331 4.320 -0.003 0.000 0.218 70 A C 2.556 180.173 177.584 0.056 0.000 1.169 70 A CA 1.042 53.092 52.037 0.021 0.000 0.635 70 A CB -0.792 18.202 19.000 -0.010 0.000 0.810 70 A HN 0.366 nan 8.150 nan 0.000 0.445 71 V N -0.617 119.310 119.914 0.020 0.000 2.358 71 V HA -0.242 3.876 4.120 -0.003 0.000 0.246 71 V C 2.533 178.705 176.094 0.130 0.000 1.047 71 V CA 2.178 64.511 62.300 0.056 0.000 1.035 71 V CB -0.608 31.224 31.823 0.015 0.000 0.658 71 V HN 0.645 nan 8.190 nan 0.000 0.452 72 M N 0.466 120.108 119.600 0.070 0.000 2.099 72 M HA -0.101 4.377 4.480 -0.003 0.000 0.262 72 M C 2.201 178.549 176.300 0.080 0.000 1.067 72 M CA 1.763 57.101 55.300 0.063 0.000 1.124 72 M CB -0.750 31.858 32.600 0.013 0.000 1.353 72 M HN 0.133 nan 8.290 nan 0.000 0.410 73 R N -1.465 119.081 120.500 0.078 0.000 2.120 73 R HA -0.156 4.183 4.340 -0.003 0.000 0.234 73 R C 2.172 178.534 176.300 0.102 0.000 1.123 73 R CA 1.682 57.825 56.100 0.071 0.000 0.975 73 R CB -0.793 29.545 30.300 0.064 0.000 0.866 73 R HN 0.426 nan 8.270 nan 0.000 0.446 74 F N 1.427 121.381 119.950 0.007 0.000 2.113 74 F HA -0.133 4.392 4.527 -0.003 0.000 0.297 74 F C 1.902 177.720 175.800 0.030 0.000 1.103 74 F CA 1.369 59.377 58.000 0.013 0.000 1.248 74 F CB -0.162 38.840 39.000 0.003 0.000 0.999 74 F HN -0.117 nan 8.300 nan 0.000 0.475 75 L N -0.132 121.173 121.223 0.137 0.000 2.017 75 L HA -0.226 4.112 4.340 -0.003 0.000 0.208 75 L C 2.694 179.567 176.870 0.004 0.000 1.073 75 L CA 1.879 56.761 54.840 0.070 0.000 0.745 75 L CB -1.383 40.764 42.059 0.147 0.000 0.894 75 L HN 0.326 nan 8.230 nan 0.000 0.432 76 T N -2.719 111.844 114.554 0.016 0.000 2.760 76 T HA -0.305 4.044 4.350 -0.003 0.000 0.269 76 T C 1.689 176.372 174.700 -0.030 0.000 1.047 76 T CA 1.673 63.777 62.100 0.007 0.000 1.139 76 T CB -0.342 68.530 68.868 0.008 0.000 0.855 76 T HN 0.436 nan 8.240 nan 0.000 0.471 77 Q N -0.169 119.578 119.800 -0.088 0.000 2.137 77 Q HA 0.110 4.449 4.340 -0.003 0.000 0.198 77 Q C 2.741 178.641 176.000 -0.168 0.000 0.960 77 Q CA 0.668 56.390 55.803 -0.136 0.000 0.847 77 Q CB 0.051 28.672 28.738 -0.196 0.000 0.915 77 Q HN 0.378 nan 8.270 nan 0.000 0.448 78 R N 0.321 120.685 120.500 -0.227 0.000 2.156 78 R HA 0.117 4.456 4.340 -0.003 0.000 0.207 78 R C 1.848 178.123 176.300 -0.041 0.000 1.040 78 R CA 0.527 56.522 56.100 -0.175 0.000 1.013 78 R CB -0.158 29.987 30.300 -0.258 0.000 0.931 78 R HN 0.253 nan 8.270 nan 0.000 0.465 79 L N 0.901 122.134 121.223 0.016 0.000 2.650 79 L HA 0.102 4.441 4.340 -0.003 0.000 0.235 79 L C 0.695 177.598 176.870 0.056 0.000 1.149 79 L CA 0.246 55.142 54.840 0.094 0.000 0.887 79 L CB -0.712 41.462 42.059 0.191 0.000 1.021 79 L HN 0.290 nan 8.230 nan 0.000 0.441 80 G N 0.512 109.318 108.800 0.011 0.000 2.828 80 G HA2 -0.215 3.743 3.960 -0.003 0.000 0.463 80 G HA3 -0.215 3.743 3.960 -0.003 0.000 0.463 80 G C -2.359 172.551 174.900 0.017 0.000 1.394 80 G CA -0.561 44.541 45.100 0.004 0.000 0.862 80 G HN 0.102 nan 8.290 nan 0.000 0.540 81 P HA 0.176 nan 4.420 nan 0.000 0.245 81 P C 1.789 179.109 177.300 0.034 0.000 1.203 81 P CA 1.178 64.290 63.100 0.019 0.000 0.792 81 P CB 0.232 31.938 31.700 0.009 0.000 0.997 82 G N 0.091 108.914 108.800 0.038 0.000 2.653 82 G HA2 -0.102 3.856 3.960 -0.003 0.000 0.212 82 G HA3 -0.102 3.856 3.960 -0.003 0.000 0.212 82 G C 0.374 175.323 174.900 0.082 0.000 1.138 82 G CA -0.020 45.111 45.100 0.051 0.000 0.782 82 G HN 0.228 nan 8.290 nan 0.000 0.535 83 L N 1.455 122.731 121.223 0.088 0.000 2.380 83 L HA 0.528 4.866 4.340 -0.003 0.000 0.273 83 L C 0.263 177.183 176.870 0.083 0.000 1.138 83 L CA -0.575 54.331 54.840 0.110 0.000 0.832 83 L CB 1.512 43.636 42.059 0.108 0.000 1.124 83 L HN 0.012 nan 8.230 nan 0.000 0.454 84 V N 1.724 121.694 119.914 0.093 0.000 2.960 84 V HA 0.532 4.650 4.120 -0.003 0.000 0.315 84 V C -0.388 175.743 176.094 0.060 0.000 1.087 84 V CA -0.996 61.348 62.300 0.073 0.000 0.982 84 V CB 1.759 33.633 31.823 0.085 0.000 1.039 84 V HN 0.799 nan 8.190 nan 0.000 0.437 85 D N 2.335 122.758 120.400 0.039 0.000 2.417 85 D HA 0.263 4.901 4.640 -0.003 0.000 0.250 85 D C 1.128 177.448 176.300 0.033 0.000 1.166 85 D CA 0.659 54.671 54.000 0.019 0.000 0.881 85 D CB 1.921 42.720 40.800 -0.002 0.000 1.164 85 D HN 0.959 nan 8.370 nan 0.000 0.467 86 A N 3.854 126.687 122.820 0.022 0.000 2.225 86 A HA -0.005 4.313 4.320 -0.003 0.000 0.215 86 A C 1.964 179.586 177.584 0.064 0.000 1.164 86 A CA 1.393 53.457 52.037 0.045 0.000 0.710 86 A CB -0.240 18.755 19.000 -0.009 0.000 0.780 86 A HN 0.641 nan 8.150 nan 0.000 0.473 87 A N -0.401 122.422 122.820 0.005 0.000 2.119 87 A HA 0.012 4.330 4.320 -0.003 0.000 0.217 87 A C 1.438 179.017 177.584 -0.008 0.000 1.153 87 A CA 1.250 53.250 52.037 -0.061 0.000 0.692 87 A CB -0.251 18.663 19.000 -0.144 0.000 0.799 87 A HN 0.776 nan 8.150 nan 0.000 0.458 88 Q N -1.697 118.136 119.800 0.055 0.000 2.155 88 Q HA 0.622 4.961 4.340 -0.003 0.000 0.278 88 Q C -0.224 175.845 176.000 0.115 0.000 0.851 88 Q CA 0.004 55.862 55.803 0.092 0.000 1.052 88 Q CB -0.161 28.608 28.738 0.053 0.000 1.307 88 Q HN 0.309 nan 8.270 nan 0.000 0.403 89 A N 1.038 123.946 122.820 0.146 0.000 2.282 89 A HA 0.842 5.161 4.320 -0.003 0.000 0.319 89 A C -0.536 177.171 177.584 0.204 0.000 1.121 89 A CA -0.539 51.597 52.037 0.166 0.000 0.836 89 A CB 0.983 20.093 19.000 0.184 0.000 1.146 89 A HN 0.280 nan 8.150 nan 0.000 0.494 90 R N 0.473 121.091 120.500 0.197 0.000 2.856 90 R HA 0.534 4.873 4.340 -0.003 0.000 0.258 90 R C -2.128 174.336 176.300 0.274 0.000 1.066 90 R CA -2.123 54.102 56.100 0.209 0.000 1.045 90 R CB 0.233 30.608 30.300 0.125 0.000 1.178 90 R HN 0.358 nan 8.270 nan 0.000 0.499 91 P HA -0.238 nan 4.420 nan 0.000 0.218 91 P C 0.396 177.922 177.300 0.376 0.000 1.150 91 P CA 1.800 65.143 63.100 0.405 0.000 0.841 91 P CB 0.195 32.134 31.700 0.398 0.000 0.784 92 S N -3.154 112.684 115.700 0.230 0.000 2.558 92 S HA 0.028 4.497 4.470 -0.003 0.000 0.217 92 S C 0.596 175.288 174.600 0.153 0.000 0.975 92 S CA -0.070 58.220 58.200 0.151 0.000 0.912 92 S CB -0.566 62.691 63.200 0.094 0.000 0.776 92 S HN 0.027 nan 8.310 nan 0.000 0.526 93 D N 2.441 122.964 120.400 0.205 0.000 2.294 93 D HA 0.347 4.985 4.640 -0.003 0.000 0.250 93 D C -0.639 175.818 176.300 0.262 0.000 1.058 93 D CA -0.393 53.725 54.000 0.196 0.000 0.950 93 D CB 0.438 41.344 40.800 0.177 0.000 1.158 93 D HN 0.056 nan 8.370 nan 0.000 0.453 94 N N 0.286 119.132 118.700 0.244 0.000 2.426 94 N HA 0.334 5.072 4.740 -0.003 0.000 0.257 94 N C -0.620 175.035 175.510 0.242 0.000 1.002 94 N CA -0.327 52.918 53.050 0.325 0.000 0.942 94 N CB 0.631 39.333 38.487 0.358 0.000 1.112 94 N HN 0.426 nan 8.380 nan 0.000 0.499 95 C N -0.289 119.137 119.300 0.210 0.000 3.086 95 C HA 0.594 5.052 4.460 -0.003 0.000 0.311 95 C C -0.287 174.705 174.990 0.004 0.000 1.260 95 C CA -0.972 58.108 59.018 0.103 0.000 1.426 95 C CB 0.520 28.316 27.740 0.094 0.000 1.826 95 C HN 0.331 nan 8.230 nan 0.000 0.474 96 V N 3.442 123.351 119.914 -0.009 0.000 2.372 96 V HA 0.185 4.303 4.120 -0.003 0.000 0.261 96 V C 0.801 176.844 176.094 -0.086 0.000 1.055 96 V CA 0.168 62.450 62.300 -0.031 0.000 0.930 96 V CB 0.223 32.055 31.823 0.015 0.000 1.031 96 V HN 0.908 nan 8.190 nan 0.000 0.479 97 F N 4.190 123.930 119.950 -0.349 0.000 2.113 97 F HA -0.009 4.517 4.527 -0.003 0.000 0.297 97 F C 1.297 177.053 175.800 -0.073 0.000 1.103 97 F CA 1.205 58.964 58.000 -0.401 0.000 1.248 97 F CB 0.368 38.930 39.000 -0.731 0.000 0.999 97 F HN 0.596 nan 8.300 nan 0.000 0.475 98 S N -1.258 114.411 115.700 -0.052 0.000 2.588 98 S HA 0.700 5.169 4.470 -0.003 0.000 0.269 98 S C -1.403 173.243 174.600 0.076 0.000 1.157 98 S CA -0.707 57.463 58.200 -0.050 0.000 0.824 98 S CB 2.025 65.261 63.200 0.061 0.000 1.126 98 S HN -0.007 nan 8.310 nan 0.000 0.464 99 V N 1.641 121.585 119.914 0.051 0.000 2.737 99 V HA 0.714 4.832 4.120 -0.003 0.000 0.298 99 V C -0.691 175.437 176.094 0.057 0.000 1.163 99 V CA -0.309 62.034 62.300 0.072 0.000 0.925 99 V CB 1.204 33.050 31.823 0.039 0.000 1.037 99 V HN 1.205 nan 8.190 nan 0.000 0.433 100 E N 4.322 124.583 120.200 0.102 0.000 2.435 100 E HA 0.683 5.031 4.350 -0.003 0.000 0.272 100 E C -1.271 175.404 176.600 0.124 0.000 1.031 100 E CA -1.180 55.283 56.400 0.104 0.000 0.872 100 E CB 1.817 31.607 29.700 0.150 0.000 1.588 100 E HN 0.428 nan 8.360 nan 0.000 0.460 101 L N 1.576 122.882 121.223 0.138 0.000 2.525 101 L HA 0.160 4.499 4.340 -0.003 0.000 0.278 101 L C -0.430 176.529 176.870 0.147 0.000 1.218 101 L CA 0.598 55.512 54.840 0.124 0.000 0.878 101 L CB 0.639 42.775 42.059 0.129 0.000 1.127 101 L HN 0.620 nan 8.230 nan 0.000 0.492 102 Q N 4.676 124.549 119.800 0.122 0.000 2.314 102 Q HA 0.434 4.772 4.340 -0.003 0.000 0.259 102 Q C -1.270 174.802 176.000 0.121 0.000 0.951 102 Q CA -0.213 55.673 55.803 0.138 0.000 0.909 102 Q CB 0.827 29.642 28.738 0.127 0.000 1.236 102 Q HN 0.717 nan 8.270 nan 0.000 0.444 103 L N 6.628 127.939 121.223 0.148 0.000 2.453 103 L HA 0.315 4.653 4.340 -0.003 0.000 0.272 103 L C -1.660 175.298 176.870 0.146 0.000 1.182 103 L CA -1.530 53.400 54.840 0.150 0.000 0.858 103 L CB 0.203 42.381 42.059 0.198 0.000 1.120 103 L HN 0.624 nan 8.230 nan 0.000 0.474 104 P HA 0.234 nan 4.420 nan 0.000 0.277 104 P C -2.578 174.831 177.300 0.182 0.000 1.240 104 P CA -1.610 61.560 63.100 0.118 0.000 0.798 104 P CB 0.212 31.935 31.700 0.039 0.000 0.979 105 P HA 0.030 nan 4.420 nan 0.000 0.267 105 P C 0.827 178.206 177.300 0.131 0.000 1.200 105 P CA -0.008 63.156 63.100 0.108 0.000 0.772 105 P CB 1.126 32.861 31.700 0.058 0.000 0.855 106 K N 2.204 122.641 120.400 0.060 0.000 2.097 106 K HA -0.146 4.172 4.320 -0.003 0.000 0.206 106 K C 1.942 178.527 176.600 -0.025 0.000 1.049 106 K CA 1.471 57.713 56.287 -0.075 0.000 0.933 106 K CB -0.469 31.763 32.500 -0.446 0.000 0.717 106 K HN 0.499 nan 8.250 nan 0.000 0.442 107 A N 1.256 124.067 122.820 -0.014 0.000 1.851 107 A HA -0.172 4.147 4.320 -0.003 0.000 0.216 107 A C 2.370 179.986 177.584 0.054 0.000 1.195 107 A CA 2.178 54.220 52.037 0.009 0.000 0.622 107 A CB -1.109 17.892 19.000 0.003 0.000 0.831 107 A HN 0.465 nan 8.150 nan 0.000 0.444 108 A N -0.419 122.437 122.820 0.060 0.000 1.933 108 A HA 0.153 4.471 4.320 -0.003 0.000 0.218 108 A C 2.519 180.171 177.584 0.114 0.000 1.175 108 A CA 2.255 54.334 52.037 0.071 0.000 0.628 108 A CB -1.100 17.928 19.000 0.046 0.000 0.814 108 A HN 1.159 nan 8.150 nan 0.000 0.444 109 A N -0.043 122.869 122.820 0.152 0.000 1.865 109 A HA -0.126 4.193 4.320 -0.003 0.000 0.217 109 A C 2.205 179.962 177.584 0.288 0.000 1.191 109 A CA 1.683 53.862 52.037 0.237 0.000 0.623 109 A CB -0.679 18.597 19.000 0.460 0.000 0.826 109 A HN 0.485 nan 8.150 nan 0.000 0.444 110 L N -1.035 120.344 121.223 0.260 0.000 2.027 110 L HA -0.180 4.158 4.340 -0.003 0.000 0.206 110 L C 3.167 180.125 176.870 0.146 0.000 1.074 110 L CA 1.087 56.059 54.840 0.220 0.000 0.745 110 L CB -0.817 41.330 42.059 0.147 0.000 0.898 110 L HN 0.460 nan 8.230 nan 0.000 0.433 111 A N -0.058 122.832 122.820 0.116 0.000 1.927 111 A HA -0.350 3.968 4.320 -0.003 0.000 0.220 111 A C 2.122 179.761 177.584 0.092 0.000 1.185 111 A CA 2.422 54.512 52.037 0.087 0.000 0.639 111 A CB -1.016 18.030 19.000 0.076 0.000 0.820 111 A HN 0.611 nan 8.150 nan 0.000 0.451 112 H N -0.226 118.866 119.070 0.037 0.000 2.353 112 H HA 0.020 4.575 4.556 -0.003 0.000 0.300 112 H C 1.629 176.973 175.328 0.026 0.000 1.090 112 H CA 1.945 58.003 56.048 0.017 0.000 1.327 112 H CB -0.262 29.495 29.762 -0.009 0.000 1.383 112 H HN 0.379 nan 8.280 nan 0.000 0.508 113 L N -0.314 120.849 121.223 -0.099 0.000 2.240 113 L HA -0.036 4.302 4.340 -0.003 0.000 0.211 113 L C 1.345 178.176 176.870 -0.064 0.000 1.106 113 L CA 0.903 55.672 54.840 -0.118 0.000 0.793 113 L CB -0.095 42.016 42.059 0.086 0.000 0.927 113 L HN 0.346 nan 8.230 nan 0.000 0.446 114 D N -0.590 119.801 120.400 -0.014 0.000 3.012 114 D HA 0.024 4.663 4.640 -0.003 0.000 0.284 114 D C 2.204 178.495 176.300 -0.014 0.000 1.259 114 D CA 0.443 54.445 54.000 0.003 0.000 1.036 114 D CB -0.092 40.733 40.800 0.042 0.000 1.167 114 D HN -0.006 nan 8.370 nan 0.000 0.429 115 R N 0.156 120.656 120.500 -0.000 0.000 2.081 115 R HA 0.042 4.380 4.340 -0.003 0.000 0.235 115 R C 1.359 177.646 176.300 -0.022 0.000 1.131 115 R CA 1.465 57.564 56.100 -0.002 0.000 0.960 115 R CB -0.062 30.247 30.300 0.014 0.000 0.856 115 R HN 0.359 nan 8.270 nan 0.000 0.436 116 G N -0.465 108.306 108.800 -0.048 0.000 2.211 116 G HA2 -0.230 3.729 3.960 -0.003 0.000 0.201 116 G HA3 -0.230 3.729 3.960 -0.003 0.000 0.201 116 G C 0.155 175.052 174.900 -0.004 0.000 0.997 116 G CA 0.001 45.051 45.100 -0.083 0.000 0.652 116 G HN 0.292 nan 8.290 nan 0.000 0.500 117 S N 2.576 118.297 115.700 0.034 0.000 2.525 117 S HA 0.313 4.781 4.470 -0.003 0.000 0.282 117 S C -1.656 173.031 174.600 0.146 0.000 1.324 117 S CA 0.552 58.796 58.200 0.073 0.000 1.025 117 S CB 0.497 63.736 63.200 0.066 0.000 0.820 117 S HN 0.476 nan 8.310 nan 0.000 0.514 118 P HA 0.151 nan 4.420 nan 0.000 0.265 118 P C -2.323 175.002 177.300 0.041 0.000 1.222 118 P CA -1.185 61.964 63.100 0.080 0.000 0.767 118 P CB -0.447 31.275 31.700 0.036 0.000 0.801 119 P HA 0.078 nan 4.420 nan 0.000 0.269 119 P C -1.997 175.221 177.300 -0.136 0.000 1.217 119 P CA -0.804 62.140 63.100 -0.260 0.000 0.783 119 P CB -0.727 30.518 31.700 -0.758 0.000 0.898 120 P HA 0.132 nan 4.420 nan 0.000 0.282 120 P C -0.557 176.707 177.300 -0.060 0.000 1.286 120 P CA -0.261 62.809 63.100 -0.051 0.000 0.777 120 P CB 0.251 31.937 31.700 -0.023 0.000 1.184 121 A N 0.655 123.469 122.820 -0.010 0.000 2.331 121 A HA 0.289 4.607 4.320 -0.003 0.000 0.283 121 A C 0.530 178.112 177.584 -0.003 0.000 1.142 121 A CA -0.573 51.470 52.037 0.010 0.000 0.812 121 A CB 0.022 19.085 19.000 0.106 0.000 1.074 121 A HN 0.300 nan 8.150 nan 0.000 0.497 122 R N 2.440 122.913 120.500 -0.045 0.000 2.357 122 R HA 0.134 4.473 4.340 -0.003 0.000 0.330 122 R C -0.329 175.954 176.300 -0.028 0.000 1.102 122 R CA 0.481 56.546 56.100 -0.059 0.000 0.974 122 R CB -0.204 30.037 30.300 -0.098 0.000 1.002 122 R HN 0.800 nan 8.270 nan 0.000 0.463 123 E N 0.590 120.802 120.200 0.021 0.000 2.264 123 E HA 0.696 5.045 4.350 -0.003 0.000 0.260 123 E C -0.821 175.810 176.600 0.051 0.000 0.961 123 E CA -0.937 55.498 56.400 0.058 0.000 0.834 123 E CB 1.894 31.675 29.700 0.134 0.000 1.230 123 E HN 0.549 nan 8.360 nan 0.000 0.412 124 A N 1.232 124.091 122.820 0.064 0.000 2.475 124 A HA 0.578 4.896 4.320 -0.003 0.000 0.301 124 A C -1.739 175.917 177.584 0.121 0.000 1.059 124 A CA -0.613 51.471 52.037 0.078 0.000 0.710 124 A CB 1.078 20.102 19.000 0.041 0.000 1.288 124 A HN 0.380 nan 8.150 nan 0.000 0.408 125 L N 1.864 123.177 121.223 0.150 0.000 2.296 125 L HA 0.798 5.137 4.340 -0.003 0.000 0.286 125 L C 0.104 177.091 176.870 0.195 0.000 1.023 125 L CA -0.089 54.862 54.840 0.186 0.000 0.812 125 L CB 1.185 43.375 42.059 0.218 0.000 1.223 125 L HN 0.971 nan 8.230 nan 0.000 0.421 126 A N 6.361 129.298 122.820 0.194 0.000 2.343 126 A HA 0.755 5.073 4.320 -0.003 0.000 0.316 126 A C -0.810 176.905 177.584 0.217 0.000 1.104 126 A CA -0.511 51.639 52.037 0.187 0.000 0.768 126 A CB 0.674 19.764 19.000 0.151 0.000 1.213 126 A HN 0.662 nan 8.150 nan 0.000 0.456 127 I N 2.614 123.343 120.570 0.265 0.000 2.359 127 I HA 0.455 4.624 4.170 -0.003 0.000 0.294 127 I C -0.709 175.531 176.117 0.204 0.000 0.987 127 I CA -0.773 60.717 61.300 0.317 0.000 1.225 127 I CB 1.781 40.088 38.000 0.512 0.000 1.366 127 I HN 0.333 nan 8.210 nan 0.000 0.466 128 V N 6.063 126.032 119.914 0.091 0.000 2.540 128 V HA 0.424 4.543 4.120 -0.003 0.000 0.302 128 V C -0.332 175.750 176.094 -0.020 0.000 1.035 128 V CA -0.711 61.520 62.300 -0.116 0.000 0.873 128 V CB 1.765 33.323 31.823 -0.442 0.000 0.992 128 V HN 0.445 nan 8.190 nan 0.000 0.428 129 F N 3.386 123.279 119.950 -0.095 0.000 2.411 129 F HA 0.491 5.016 4.527 -0.003 0.000 0.350 129 F C 0.026 175.885 175.800 0.098 0.000 1.114 129 F CA -0.500 57.575 58.000 0.124 0.000 1.135 129 F CB 1.065 40.222 39.000 0.261 0.000 1.120 129 F HN 0.426 nan 8.300 nan 0.000 0.495 130 F N 1.965 122.153 119.950 0.397 0.000 2.319 130 F HA 0.233 4.759 4.527 -0.003 0.000 0.356 130 F C 1.079 176.783 175.800 -0.160 0.000 1.100 130 F CA -0.514 57.557 58.000 0.119 0.000 1.220 130 F CB 1.039 40.083 39.000 0.073 0.000 1.506 130 F HN 0.664 nan 8.300 nan 0.000 0.512 131 G N 0.878 109.740 108.800 0.104 0.000 2.838 131 G HA2 -0.101 3.857 3.960 -0.003 0.000 0.210 131 G HA3 -0.101 3.857 3.960 -0.003 0.000 0.210 131 G C 1.066 175.960 174.900 -0.010 0.000 1.153 131 G CA -0.202 44.822 45.100 -0.126 0.000 0.778 131 G HN 0.284 nan 8.290 nan 0.000 0.539 132 R N 1.411 121.955 120.500 0.074 0.000 4.556 132 R HA 0.284 4.622 4.340 -0.003 0.000 0.197 132 R C 0.062 176.354 176.300 -0.013 0.000 1.791 132 R CA -0.165 55.962 56.100 0.044 0.000 1.526 132 R CB -1.016 29.328 30.300 0.073 0.000 1.410 132 R HN 0.565 nan 8.270 nan 0.000 0.826 133 Q N -0.670 119.107 119.800 -0.038 0.000 2.721 133 Q HA 0.270 4.608 4.340 -0.003 0.000 0.282 133 Q C -2.559 173.409 176.000 -0.054 0.000 0.932 133 Q CA -1.606 54.163 55.803 -0.057 0.000 0.816 133 Q CB 1.146 29.833 28.738 -0.085 0.000 1.506 133 Q HN -0.013 nan 8.270 nan 0.000 0.399 134 P HA -0.238 nan 4.420 nan 0.000 0.212 134 P C -0.227 177.051 177.300 -0.037 0.000 1.178 134 P CA 1.495 64.576 63.100 -0.032 0.000 0.915 134 P CB 0.180 31.864 31.700 -0.026 0.000 0.788 135 Q N 0.476 120.254 119.800 -0.037 0.000 2.655 135 Q HA 0.326 4.665 4.340 -0.003 0.000 0.228 135 Q C -2.311 173.660 176.000 -0.049 0.000 1.186 135 Q CA -2.090 53.696 55.803 -0.030 0.000 1.004 135 Q CB 0.491 29.223 28.738 -0.009 0.000 1.242 135 Q HN 0.283 nan 8.270 nan 0.000 0.558 136 P HA -0.077 nan 4.420 nan 0.000 0.266 136 P C -0.789 176.433 177.300 -0.131 0.000 1.195 136 P CA 0.240 63.180 63.100 -0.267 0.000 0.768 136 P CB 0.602 31.899 31.700 -0.671 0.000 0.838 137 N N 0.185 118.892 118.700 0.012 0.000 2.853 137 N HA 0.576 5.315 4.740 -0.003 0.000 0.258 137 N C -1.625 174.079 175.510 0.323 0.000 1.444 137 N CA -0.977 52.193 53.050 0.200 0.000 0.837 137 N CB 1.063 39.656 38.487 0.177 0.000 1.489 137 N HN 0.098 nan 8.380 nan 0.000 0.529 138 V N -2.267 117.779 119.914 0.220 0.000 2.604 138 V HA 0.965 5.083 4.120 -0.003 0.000 0.305 138 V C -0.509 175.641 176.094 0.094 0.000 1.043 138 V CA -0.644 61.755 62.300 0.164 0.000 0.888 138 V CB 0.821 32.678 31.823 0.057 0.000 0.995 138 V HN 1.034 nan 8.190 nan 0.000 0.429 139 S N 1.883 117.636 115.700 0.089 0.000 2.564 139 S HA 0.674 5.142 4.470 -0.003 0.000 0.274 139 S C -1.004 173.689 174.600 0.155 0.000 1.124 139 S CA -0.903 57.366 58.200 0.115 0.000 0.869 139 S CB 1.994 65.305 63.200 0.186 0.000 1.105 139 S HN 0.838 nan 8.310 nan 0.000 0.472 140 E N 1.333 121.641 120.200 0.180 0.000 2.115 140 E HA 0.501 4.849 4.350 -0.003 0.000 0.282 140 E C -1.096 175.619 176.600 0.193 0.000 0.987 140 E CA -0.442 56.089 56.400 0.218 0.000 0.797 140 E CB 1.104 30.955 29.700 0.252 0.000 1.086 140 E HN 0.482 nan 8.360 nan 0.000 0.397 141 L N 2.933 124.273 121.223 0.196 0.000 2.362 141 L HA 0.501 4.839 4.340 -0.003 0.000 0.275 141 L C -0.577 176.408 176.870 0.192 0.000 0.998 141 L CA -1.279 53.678 54.840 0.195 0.000 0.820 141 L CB 1.743 43.930 42.059 0.213 0.000 1.270 141 L HN 0.231 nan 8.230 nan 0.000 0.415 142 V N 3.642 123.668 119.914 0.186 0.000 2.383 142 V HA 0.429 4.547 4.120 -0.003 0.000 0.275 142 V C 0.193 176.432 176.094 0.241 0.000 1.036 142 V CA -0.572 61.842 62.300 0.189 0.000 0.889 142 V CB 1.671 33.589 31.823 0.158 0.000 0.985 142 V HN 0.458 nan 8.190 nan 0.000 0.459 143 V N 3.658 123.677 119.914 0.176 0.000 2.769 143 V HA 1.059 5.177 4.120 -0.003 0.000 0.312 143 V C 0.616 176.630 176.094 -0.133 0.000 1.058 143 V CA 0.371 62.697 62.300 0.043 0.000 0.952 143 V CB 1.488 33.303 31.823 -0.014 0.000 1.019 143 V HN 1.222 nan 8.190 nan 0.000 0.445 144 G N 3.515 111.944 108.800 -0.618 0.000 2.345 144 G HA2 0.314 4.273 3.960 -0.003 0.000 0.285 144 G HA3 0.314 4.273 3.960 -0.003 0.000 0.285 144 G C -3.489 170.543 174.900 -1.447 0.000 1.297 144 G CA -0.579 44.050 45.100 -0.785 0.000 0.875 144 G HN 0.554 nan 8.290 nan 0.000 0.506 145 P HA 0.508 nan 4.420 nan 0.000 0.292 145 P C 0.105 177.234 177.300 -0.286 0.000 1.287 145 P CA -0.364 62.508 63.100 -0.381 0.000 0.800 145 P CB 1.547 33.160 31.700 -0.144 0.000 0.945 146 L N 5.577 126.664 121.223 -0.228 0.000 2.482 146 L HA 0.101 4.440 4.340 -0.003 0.000 0.273 146 L C -0.325 176.409 176.870 -0.227 0.000 1.228 146 L CA -1.171 53.537 54.840 -0.220 0.000 0.827 146 L CB -0.027 41.928 42.059 -0.174 0.000 1.099 146 L HN 0.349 nan 8.230 nan 0.000 0.494 147 P HA -0.059 nan 4.420 nan 0.000 0.240 147 P C -0.077 176.957 177.300 -0.443 0.000 1.190 147 P CA 0.896 63.752 63.100 -0.408 0.000 0.781 147 P CB 0.334 31.732 31.700 -0.503 0.000 0.931 148 H N 1.000 119.998 119.070 -0.120 0.000 2.683 148 H HA 0.416 4.971 4.556 -0.003 0.000 0.270 148 H C -2.294 172.910 175.328 -0.208 0.000 1.201 148 H CA -2.817 53.160 56.048 -0.119 0.000 1.277 148 H CB 0.218 29.935 29.762 -0.075 0.000 1.400 148 H HN 0.149 nan 8.280 nan 0.000 0.504 149 P HA -0.019 nan 4.420 nan 0.000 0.271 149 P C 0.706 177.705 177.300 -0.502 0.000 1.233 149 P CA 0.352 63.100 63.100 -0.588 0.000 0.789 149 P CB 1.174 32.323 31.700 -0.919 0.000 0.951 150 S N -1.019 114.281 115.700 -0.667 0.000 3.718 150 S HA 0.080 4.548 4.470 -0.003 0.000 0.238 150 S C 0.315 174.903 174.600 -0.020 0.000 1.136 150 S CA -0.297 57.804 58.200 -0.166 0.000 0.950 150 S CB -0.579 62.576 63.200 -0.075 0.000 1.096 150 S HN 0.414 nan 8.310 nan 0.000 0.467 151 Y N 1.985 122.259 120.300 -0.044 0.000 2.378 151 Y HA 0.863 5.411 4.550 -0.003 0.000 0.351 151 Y C -0.017 175.932 175.900 0.082 0.000 1.351 151 Y CA -1.420 56.724 58.100 0.073 0.000 1.616 151 Y CB 0.282 38.764 38.460 0.037 0.000 1.622 151 Y HN 0.560 nan 8.280 nan 0.000 0.568 152 M N 1.188 121.118 119.600 0.550 0.000 2.624 152 M HA 0.422 4.900 4.480 -0.003 0.000 0.286 152 M C -2.283 174.202 176.300 0.308 0.000 1.095 152 M CA -0.567 54.993 55.300 0.434 0.000 0.865 152 M CB 1.996 34.903 32.600 0.511 0.000 1.762 152 M HN 1.036 nan 8.290 nan 0.000 0.527 153 R N 2.465 123.107 120.500 0.237 0.000 2.678 153 R HA 0.283 4.622 4.340 -0.003 0.000 0.267 153 R C -1.808 174.578 176.300 0.144 0.000 1.173 153 R CA -0.872 55.321 56.100 0.155 0.000 1.061 153 R CB 1.056 31.401 30.300 0.075 0.000 1.262 153 R HN 0.756 nan 8.270 nan 0.000 0.427 154 D N 2.987 123.475 120.400 0.146 0.000 2.472 154 D HA 0.044 4.682 4.640 -0.003 0.000 0.237 154 D C 0.679 177.043 176.300 0.106 0.000 1.141 154 D CA 0.315 54.402 54.000 0.146 0.000 0.875 154 D CB 1.620 42.511 40.800 0.152 0.000 1.192 154 D HN 0.494 nan 8.370 nan 0.000 0.450 155 V N -0.171 119.806 119.914 0.106 0.000 3.392 155 V HA 0.048 4.167 4.120 -0.003 0.000 0.285 155 V C 1.867 177.996 176.094 0.059 0.000 1.582 155 V CA 0.316 62.657 62.300 0.068 0.000 1.034 155 V CB -0.180 31.685 31.823 0.069 0.000 0.846 155 V HN 0.537 nan 8.190 nan 0.000 0.431 156 T N 3.395 118.015 114.554 0.110 0.000 2.536 156 T HA -0.280 4.068 4.350 -0.003 0.000 0.263 156 T C 2.010 176.775 174.700 0.109 0.000 1.115 156 T CA 3.244 65.437 62.100 0.155 0.000 1.180 156 T CB -0.715 68.236 68.868 0.137 0.000 0.864 156 T HN 0.876 nan 8.240 nan 0.000 0.419 157 V N 1.061 121.020 119.914 0.076 0.000 2.332 157 V HA -0.218 3.901 4.120 -0.003 0.000 0.248 157 V C 2.333 178.432 176.094 0.007 0.000 1.055 157 V CA 2.406 64.736 62.300 0.050 0.000 1.038 157 V CB -1.018 30.833 31.823 0.046 0.000 0.651 157 V HN 0.540 nan 8.190 nan 0.000 0.450 158 E N 0.500 120.697 120.200 -0.006 0.000 2.118 158 E HA -0.242 4.106 4.350 -0.003 0.000 0.195 158 E C 2.430 178.972 176.600 -0.096 0.000 0.992 158 E CA 1.704 58.084 56.400 -0.033 0.000 0.804 158 E CB -0.025 29.665 29.700 -0.017 0.000 0.741 158 E HN 0.655 nan 8.360 nan 0.000 0.458 159 R N -1.186 119.195 120.500 -0.198 0.000 2.140 159 R HA 0.050 4.389 4.340 -0.003 0.000 0.213 159 R C 1.083 176.996 176.300 -0.645 0.000 1.059 159 R CA 0.724 56.554 56.100 -0.449 0.000 1.000 159 R CB 0.214 30.125 30.300 -0.648 0.000 0.910 159 R HN 0.274 nan 8.270 nan 0.000 0.455 160 H N -1.178 117.897 119.070 0.008 0.000 2.512 160 H HA 0.295 4.849 4.556 -0.003 0.000 0.276 160 H C 1.121 176.448 175.328 -0.002 0.000 1.126 160 H CA 0.489 56.535 56.048 -0.003 0.000 1.060 160 H CB 1.252 30.985 29.762 -0.049 0.000 1.646 160 H HN 0.441 nan 8.280 nan 0.000 0.571 161 G N 0.541 109.361 108.800 0.033 0.000 2.609 161 G HA2 -0.319 3.640 3.960 -0.003 0.000 0.235 161 G HA3 -0.319 3.640 3.960 -0.003 0.000 0.235 161 G C 0.712 175.635 174.900 0.040 0.000 1.177 161 G CA 0.487 45.608 45.100 0.033 0.000 0.707 161 G HN 0.834 nan 8.290 nan 0.000 0.513 162 G N -0.320 108.515 108.800 0.058 0.000 2.947 162 G HA2 0.714 4.672 3.960 -0.003 0.000 0.293 162 G HA3 0.714 4.672 3.960 -0.003 0.000 0.293 162 G C -3.249 171.683 174.900 0.053 0.000 1.243 162 G CA -0.056 45.073 45.100 0.048 0.000 0.802 162 G HN 0.367 nan 8.290 nan 0.000 0.560 163 P HA 0.352 nan 4.420 nan 0.000 0.275 163 P C -0.458 176.842 177.300 0.000 0.000 1.227 163 P CA -0.233 62.891 63.100 0.040 0.000 0.781 163 P CB 0.884 32.614 31.700 0.049 0.000 0.906 164 L N 5.734 126.931 121.223 -0.043 0.000 2.283 164 L HA 0.274 4.613 4.340 -0.003 0.000 0.287 164 L C -2.013 174.818 176.870 -0.066 0.000 1.073 164 L CA -2.028 52.713 54.840 -0.166 0.000 0.822 164 L CB 0.608 42.434 42.059 -0.388 0.000 1.186 164 L HN 0.178 nan 8.230 nan 0.000 0.436 165 P HA -0.144 nan 4.420 nan 0.000 0.264 165 P C 0.091 177.444 177.300 0.087 0.000 1.183 165 P CA 0.219 63.380 63.100 0.103 0.000 0.763 165 P CB 0.373 32.194 31.700 0.202 0.000 0.807 166 Y N 3.512 123.834 120.300 0.037 0.000 2.333 166 Y HA -0.236 4.313 4.550 -0.003 0.000 0.290 166 Y C 2.324 178.190 175.900 -0.057 0.000 1.144 166 Y CA 1.713 59.789 58.100 -0.040 0.000 1.228 166 Y CB -0.529 37.938 38.460 0.012 0.000 0.985 166 Y HN 0.521 nan 8.280 nan 0.000 0.542 167 H N -1.404 117.632 119.070 -0.056 0.000 2.524 167 H HA 0.049 4.603 4.556 -0.003 0.000 0.282 167 H C 1.734 176.979 175.328 -0.138 0.000 1.016 167 H CA 1.014 56.992 56.048 -0.116 0.000 1.270 167 H CB -0.354 29.386 29.762 -0.038 0.000 1.394 167 H HN 0.306 nan 8.280 nan 0.000 0.568 168 R N 1.247 121.394 120.500 -0.587 0.000 2.153 168 R HA 0.020 4.358 4.340 -0.003 0.000 0.218 168 R C 0.838 176.981 176.300 -0.260 0.000 1.072 168 R CA 0.159 56.014 56.100 -0.409 0.000 0.990 168 R CB 0.053 30.146 30.300 -0.344 0.000 0.889 168 R HN 0.411 nan 8.270 nan 0.000 0.452 169 R N 3.185 123.441 120.500 -0.408 0.000 2.537 169 R HA 0.034 4.373 4.340 -0.003 0.000 0.281 169 R C -2.297 173.703 176.300 -0.501 0.000 0.988 169 R CA -1.117 54.609 56.100 -0.623 0.000 1.077 169 R CB -0.344 29.125 30.300 -1.385 0.000 0.932 169 R HN -0.086 nan 8.270 nan 0.000 0.409 170 P HA -0.084 nan 4.420 nan 0.000 0.270 170 P C -0.264 176.921 177.300 -0.192 0.000 1.227 170 P CA -0.309 62.618 63.100 -0.288 0.000 0.788 170 P CB 0.434 31.983 31.700 -0.252 0.000 0.926 171 V N 2.569 122.388 119.914 -0.158 0.000 2.470 171 V HA 0.046 4.165 4.120 -0.003 0.000 0.276 171 V C 1.087 177.169 176.094 -0.020 0.000 1.040 171 V CA -0.159 62.008 62.300 -0.222 0.000 1.008 171 V CB -0.231 31.242 31.823 -0.583 0.000 0.990 171 V HN 0.341 nan 8.190 nan 0.000 0.477 172 L N 4.191 125.483 121.223 0.114 0.000 2.467 172 L HA 0.130 4.468 4.340 -0.003 0.000 0.270 172 L C 1.372 178.462 176.870 0.367 0.000 1.205 172 L CA 0.133 55.177 54.840 0.341 0.000 0.828 172 L CB 0.175 42.451 42.059 0.361 0.000 1.101 172 L HN 0.718 nan 8.230 nan 0.000 0.479 173 F N 1.135 121.284 119.950 0.333 0.000 2.069 173 F HA -0.333 4.193 4.527 -0.003 0.000 0.298 173 F C 2.523 178.505 175.800 0.303 0.000 1.113 173 F CA 1.859 60.085 58.000 0.376 0.000 1.214 173 F CB 0.066 39.205 39.000 0.232 0.000 0.978 173 F HN 0.646 nan 8.300 nan 0.000 0.474 174 Q N 1.186 121.409 119.800 0.705 0.000 2.045 174 Q HA -0.321 4.018 4.340 -0.003 0.000 0.206 174 Q C 2.107 178.302 176.000 0.324 0.000 0.991 174 Q CA 2.468 58.569 55.803 0.497 0.000 0.851 174 Q CB -0.763 28.178 28.738 0.338 0.000 0.911 174 Q HN 0.665 nan 8.270 nan 0.000 0.418 175 E N -1.553 118.800 120.200 0.256 0.000 2.171 175 E HA -0.238 4.110 4.350 -0.003 0.000 0.197 175 E C 1.683 178.312 176.600 0.048 0.000 0.997 175 E CA 1.329 57.834 56.400 0.175 0.000 0.810 175 E CB -0.215 29.504 29.700 0.033 0.000 0.738 175 E HN 0.600 nan 8.360 nan 0.000 0.467 176 Y N 0.305 120.643 120.300 0.063 0.000 2.163 176 Y HA -0.194 4.355 4.550 -0.003 0.000 0.288 176 Y C 2.272 178.144 175.900 -0.047 0.000 1.136 176 Y CA 1.061 59.140 58.100 -0.034 0.000 1.147 176 Y CB -0.109 38.294 38.460 -0.095 0.000 0.987 176 Y HN 0.036 nan 8.280 nan 0.000 0.509 177 L N -0.214 121.081 121.223 0.121 0.000 1.997 177 L HA -0.316 4.023 4.340 -0.003 0.000 0.216 177 L C 1.948 178.878 176.870 0.101 0.000 1.074 177 L CA 1.545 56.425 54.840 0.068 0.000 0.763 177 L CB -0.773 41.356 42.059 0.117 0.000 0.890 177 L HN 0.282 nan 8.230 nan 0.000 0.434 178 D N 0.400 120.908 120.400 0.179 0.000 2.158 178 D HA -0.188 4.450 4.640 -0.003 0.000 0.197 178 D C 2.253 178.709 176.300 0.260 0.000 0.995 178 D CA 1.420 55.554 54.000 0.223 0.000 0.846 178 D CB -0.152 40.849 40.800 0.334 0.000 0.941 178 D HN 0.413 nan 8.370 nan 0.000 0.456 179 I N 1.267 121.957 120.570 0.199 0.000 2.315 179 I HA -0.214 3.954 4.170 -0.003 0.000 0.248 179 I C 1.768 177.874 176.117 -0.018 0.000 1.117 179 I CA 0.980 62.283 61.300 0.006 0.000 1.404 179 I CB -0.142 37.661 38.000 -0.328 0.000 1.071 179 I HN -0.119 nan 8.210 nan 0.000 0.419 180 D N 0.324 120.730 120.400 0.009 0.000 2.149 180 D HA -0.200 4.438 4.640 -0.003 0.000 0.201 180 D C 1.997 178.375 176.300 0.129 0.000 0.972 180 D CA 0.954 54.991 54.000 0.061 0.000 0.835 180 D CB -0.304 40.414 40.800 -0.138 0.000 0.966 180 D HN 0.313 nan 8.370 nan 0.000 0.476 181 Q N 0.996 120.840 119.800 0.072 0.000 2.014 181 Q HA -0.184 4.155 4.340 -0.003 0.000 0.207 181 Q C 2.129 178.198 176.000 0.114 0.000 0.993 181 Q CA 1.573 57.425 55.803 0.081 0.000 0.850 181 Q CB -0.487 28.291 28.738 0.067 0.000 0.916 181 Q HN 0.260 nan 8.270 nan 0.000 0.417 182 M N -0.873 118.794 119.600 0.113 0.000 2.213 182 M HA -0.117 4.361 4.480 -0.003 0.000 0.263 182 M C 1.588 177.940 176.300 0.087 0.000 1.062 182 M CA 1.433 56.795 55.300 0.103 0.000 1.105 182 M CB 0.003 32.694 32.600 0.151 0.000 1.385 182 M HN 0.403 nan 8.290 nan 0.000 0.417 183 I N -0.795 119.840 120.570 0.108 0.000 2.270 183 I HA -0.199 3.970 4.170 -0.003 0.000 0.239 183 I C 1.754 177.908 176.117 0.062 0.000 1.080 183 I CA 0.928 62.262 61.300 0.057 0.000 1.383 183 I CB -0.448 37.579 38.000 0.044 0.000 1.097 183 I HN 0.134 nan 8.210 nan 0.000 0.420 184 F N 1.351 121.288 119.950 -0.022 0.000 2.325 184 F HA -0.091 4.434 4.527 -0.003 0.000 0.299 184 F C 2.056 177.901 175.800 0.074 0.000 1.090 184 F CA 1.224 59.244 58.000 0.033 0.000 1.392 184 F CB -0.847 38.184 39.000 0.052 0.000 1.053 184 F HN 0.138 nan 8.300 nan 0.000 0.521 185 N N -0.396 118.435 118.700 0.220 0.000 2.324 185 N HA 0.029 4.767 4.740 -0.003 0.000 0.192 185 N C 1.797 177.360 175.510 0.087 0.000 1.046 185 N CA 0.296 53.429 53.050 0.138 0.000 0.898 185 N CB 0.019 38.569 38.487 0.105 0.000 1.079 185 N HN 0.058 nan 8.380 nan 0.000 0.456 186 R N 0.685 121.224 120.500 0.065 0.000 2.127 186 R HA 0.078 4.416 4.340 -0.003 0.000 0.217 186 R C 1.452 177.764 176.300 0.019 0.000 1.074 186 R CA 0.803 56.927 56.100 0.040 0.000 0.991 186 R CB 0.112 30.434 30.300 0.036 0.000 0.895 186 R HN 0.270 nan 8.270 nan 0.000 0.450 187 E N 1.047 121.248 120.200 0.002 0.000 2.035 187 E HA 0.006 4.354 4.350 -0.003 0.000 0.191 187 E C 2.187 178.724 176.600 -0.106 0.000 0.966 187 E CA 0.532 56.904 56.400 -0.046 0.000 0.823 187 E CB -0.441 29.224 29.700 -0.058 0.000 0.791 187 E HN 0.147 nan 8.360 nan 0.000 0.459 188 L N 1.294 122.403 121.223 -0.191 0.000 2.137 188 L HA -0.192 4.147 4.340 -0.003 0.000 0.213 188 L C -0.557 176.183 176.870 -0.216 0.000 1.085 188 L CA 1.414 56.041 54.840 -0.354 0.000 0.760 188 L CB -1.729 39.937 42.059 -0.655 0.000 0.893 188 L HN 0.132 nan 8.230 nan 0.000 0.434 189 P HA -0.193 nan 4.420 nan 0.000 0.216 189 P C 1.350 178.662 177.300 0.020 0.000 1.150 189 P CA 1.175 64.329 63.100 0.090 0.000 0.837 189 P CB -0.044 31.713 31.700 0.095 0.000 0.786 190 Q N -1.198 118.588 119.800 -0.023 0.000 2.515 190 Q HA -0.034 4.304 4.340 -0.003 0.000 0.215 190 Q C 1.005 176.968 176.000 -0.061 0.000 0.983 190 Q CA 1.081 56.866 55.803 -0.030 0.000 0.905 190 Q CB -0.309 28.408 28.738 -0.034 0.000 0.961 190 Q HN 0.196 nan 8.270 nan 0.000 0.503 191 A N -0.819 121.934 122.820 -0.112 0.000 2.568 191 A HA 0.246 4.564 4.320 -0.003 0.000 0.287 191 A C 1.223 178.696 177.584 -0.185 0.000 0.967 191 A CA -0.338 51.593 52.037 -0.177 0.000 1.004 191 A CB 0.501 19.330 19.000 -0.284 0.000 1.233 191 A HN 0.062 nan 8.150 nan 0.000 0.513 192 S N 0.125 115.795 115.700 -0.050 0.000 2.383 192 S HA -0.137 4.331 4.470 -0.003 0.000 0.229 192 S C 2.150 176.787 174.600 0.063 0.000 1.030 192 S CA 1.804 60.030 58.200 0.043 0.000 1.002 192 S CB -0.264 63.034 63.200 0.163 0.000 0.829 192 S HN 0.849 nan 8.310 nan 0.000 0.467 193 G N 2.302 111.160 108.800 0.096 0.000 2.514 193 G HA2 -0.244 3.714 3.960 -0.003 0.000 0.217 193 G HA3 -0.244 3.714 3.960 -0.003 0.000 0.217 193 G C 1.389 176.227 174.900 -0.103 0.000 1.198 193 G CA 1.311 46.509 45.100 0.163 0.000 0.780 193 G HN 0.454 nan 8.290 nan 0.000 0.565 194 L N 0.790 121.652 121.223 -0.601 0.000 1.989 194 L HA 0.031 4.369 4.340 -0.003 0.000 0.211 194 L C 2.754 179.232 176.870 -0.654 0.000 1.071 194 L CA 1.529 55.530 54.840 -1.398 0.000 0.749 194 L CB -0.878 40.471 42.059 -1.184 0.000 0.890 194 L HN 0.267 nan 8.230 nan 0.000 0.431 195 L N -0.984 119.985 121.223 -0.423 0.000 2.042 195 L HA -0.260 4.078 4.340 -0.003 0.000 0.210 195 L C 2.708 179.566 176.870 -0.021 0.000 1.076 195 L CA 1.373 56.054 54.840 -0.264 0.000 0.749 195 L CB -1.146 40.695 42.059 -0.365 0.000 0.893 195 L HN 0.421 nan 8.230 nan 0.000 0.432 196 H N -1.478 117.636 119.070 0.073 0.000 2.492 196 H HA -0.186 4.368 4.556 -0.003 0.000 0.296 196 H C 1.992 177.428 175.328 0.181 0.000 1.095 196 H CA 1.622 57.756 56.048 0.143 0.000 1.281 196 H CB -0.034 29.795 29.762 0.111 0.000 1.374 196 H HN 0.439 nan 8.280 nan 0.000 0.545 197 H N -0.227 118.914 119.070 0.119 0.000 2.312 197 H HA -0.061 4.493 4.556 -0.003 0.000 0.327 197 H C 2.772 178.212 175.328 0.186 0.000 1.111 197 H CA 2.080 58.212 56.048 0.140 0.000 1.578 197 H CB -0.776 29.036 29.762 0.083 0.000 1.494 197 H HN 0.325 nan 8.280 nan 0.000 0.583 198 C N 0.078 119.389 119.300 0.017 0.000 2.376 198 C HA -0.200 4.259 4.460 -0.003 0.000 0.275 198 C C 2.453 177.380 174.990 -0.105 0.000 1.200 198 C CA 0.974 59.973 59.018 -0.032 0.000 1.756 198 C CB -1.442 26.274 27.740 -0.041 0.000 2.050 198 C HN 0.656 nan 8.230 nan 0.000 0.460 199 C N -1.025 118.210 119.300 -0.107 0.000 3.000 199 C HA 0.500 4.958 4.460 -0.003 0.000 0.286 199 C C 0.958 175.953 174.990 0.009 0.000 1.343 199 C CA -0.491 58.404 59.018 -0.206 0.000 1.742 199 C CB -2.400 25.174 27.740 -0.278 0.000 2.200 199 C HN 0.731 nan 8.230 nan 0.000 0.621 200 F N -1.585 118.448 119.950 0.138 0.000 3.093 200 F HA -0.257 4.268 4.527 -0.003 0.000 0.287 200 F C 0.680 176.578 175.800 0.164 0.000 0.882 200 F CA -0.301 57.789 58.000 0.150 0.000 1.063 200 F CB -1.972 37.123 39.000 0.159 0.000 1.097 200 F HN 0.414 nan 8.300 nan 0.000 0.604 201 Y N 3.195 123.541 120.300 0.076 0.000 2.712 201 Y HA 0.269 4.818 4.550 -0.003 0.000 0.333 201 Y C 0.528 176.374 175.900 -0.091 0.000 1.225 201 Y CA -0.028 58.022 58.100 -0.083 0.000 1.499 201 Y CB 0.471 38.766 38.460 -0.276 0.000 1.288 201 Y HN 0.069 nan 8.280 nan 0.000 0.575 202 K N 3.693 123.928 120.400 -0.274 0.000 2.400 202 K HA 0.160 4.478 4.320 -0.003 0.000 0.246 202 K C 0.266 176.731 176.600 -0.225 0.000 0.995 202 K CA -0.901 55.321 56.287 -0.107 0.000 0.840 202 K CB 1.039 33.621 32.500 0.138 0.000 1.293 202 K HN 0.729 nan 8.250 nan 0.000 0.445 203 H N 1.383 120.364 119.070 -0.149 0.000 2.573 203 H HA 0.071 4.625 4.556 -0.003 0.000 0.279 203 H C 0.493 175.757 175.328 -0.108 0.000 1.066 203 H CA 0.618 56.594 56.048 -0.120 0.000 1.179 203 H CB -0.114 29.650 29.762 0.004 0.000 1.303 203 H HN 0.431 nan 8.280 nan 0.000 0.626 204 R N -0.193 120.223 120.500 -0.140 0.000 2.144 204 R HA 0.344 4.682 4.340 -0.003 0.000 0.195 204 R C 0.361 176.613 176.300 -0.081 0.000 1.077 204 R CA 0.480 56.488 56.100 -0.154 0.000 1.120 204 R CB 0.496 30.739 30.300 -0.095 0.000 1.060 204 R HN 0.416 nan 8.270 nan 0.000 0.520 205 G N 1.339 110.098 108.800 -0.068 0.000 2.629 205 G HA2 -0.133 3.826 3.960 -0.003 0.000 0.686 205 G HA3 -0.133 3.826 3.960 -0.003 0.000 0.686 205 G C -0.600 174.406 174.900 0.176 0.000 1.232 205 G CA -0.540 44.596 45.100 0.059 0.000 0.803 205 G HN 0.211 nan 8.290 nan 0.000 0.638 206 R N -0.550 120.191 120.500 0.402 0.000 3.770 206 R HA -0.209 4.130 4.340 -0.003 0.000 0.305 206 R C 1.268 177.720 176.300 0.254 0.000 1.184 206 R CA 1.354 57.649 56.100 0.326 0.000 0.823 206 R CB -2.389 27.888 30.300 -0.038 0.000 1.285 206 R HN 1.411 nan 8.270 nan 0.000 0.499 207 N N 0.539 119.417 118.700 0.295 0.000 2.449 207 N HA -0.026 4.713 4.740 -0.003 0.000 0.191 207 N C 0.327 175.989 175.510 0.253 0.000 1.161 207 N CA 0.318 53.512 53.050 0.240 0.000 0.863 207 N CB 0.375 39.017 38.487 0.259 0.000 0.980 207 N HN 0.373 nan 8.380 nan 0.000 0.458 208 L N 0.421 121.822 121.223 0.297 0.000 2.333 208 L HA 0.614 4.952 4.340 -0.003 0.000 0.263 208 L C -0.366 176.684 176.870 0.299 0.000 1.014 208 L CA -1.345 53.619 54.840 0.207 0.000 0.820 208 L CB 2.235 44.316 42.059 0.036 0.000 1.352 208 L HN -0.124 nan 8.230 nan 0.000 0.421 209 V N -2.407 117.564 119.914 0.095 0.000 3.130 209 V HA 0.854 4.973 4.120 -0.003 0.000 0.310 209 V C -0.374 175.734 176.094 0.023 0.000 1.158 209 V CA -0.544 61.733 62.300 -0.038 0.000 1.029 209 V CB 1.840 33.366 31.823 -0.495 0.000 1.057 209 V HN 0.876 nan 8.190 nan 0.000 0.436 210 T N -0.068 114.514 114.554 0.046 0.000 2.942 210 T HA 0.805 5.154 4.350 -0.003 0.000 0.289 210 T C -0.589 174.212 174.700 0.167 0.000 1.044 210 T CA -0.669 61.554 62.100 0.205 0.000 1.023 210 T CB 1.937 70.983 68.868 0.297 0.000 1.123 210 T HN 1.215 nan 8.240 nan 0.000 0.512 211 M N 2.277 122.091 119.600 0.357 0.000 2.224 211 M HA 0.378 4.856 4.480 -0.003 0.000 0.281 211 M C -0.202 176.238 176.300 0.234 0.000 1.025 211 M CA -0.483 54.982 55.300 0.274 0.000 0.954 211 M CB 2.200 34.928 32.600 0.214 0.000 1.639 211 M HN 0.988 nan 8.290 nan 0.000 0.461 212 T N 2.443 117.076 114.554 0.132 0.000 2.748 212 T HA 0.625 4.974 4.350 -0.003 0.000 0.304 212 T C -0.130 174.604 174.700 0.056 0.000 1.041 212 T CA 0.478 62.469 62.100 -0.183 0.000 1.033 212 T CB 0.512 69.505 68.868 0.209 0.000 0.995 212 T HN 0.873 nan 8.240 nan 0.000 0.536 213 T N -0.868 113.689 114.554 0.005 0.000 2.792 213 T HA 0.782 5.130 4.350 -0.003 0.000 0.303 213 T C -1.093 173.670 174.700 0.105 0.000 1.310 213 T CA -0.569 61.597 62.100 0.109 0.000 1.007 213 T CB 1.356 70.163 68.868 -0.102 0.000 1.335 213 T HN 1.022 nan 8.240 nan 0.000 0.504 214 A N 1.167 123.952 122.820 -0.060 0.000 2.587 214 A HA 0.970 5.288 4.320 -0.003 0.000 0.293 214 A C -3.092 174.460 177.584 -0.054 0.000 1.087 214 A CA -1.835 50.236 52.037 0.057 0.000 0.692 214 A CB 1.385 20.550 19.000 0.274 0.000 1.291 214 A HN 0.737 nan 8.150 nan 0.000 0.407 215 P HA 0.316 nan 4.420 nan 0.000 0.277 215 P C -1.093 176.309 177.300 0.171 0.000 1.271 215 P CA -0.382 62.740 63.100 0.037 0.000 0.795 215 P CB 0.552 32.123 31.700 -0.215 0.000 1.101 216 R N 0.767 121.397 120.500 0.216 0.000 2.296 216 R HA 0.578 4.917 4.340 -0.003 0.000 0.327 216 R C 0.961 177.444 176.300 0.304 0.000 1.137 216 R CA -0.129 56.098 56.100 0.212 0.000 1.020 216 R CB -0.686 29.675 30.300 0.101 0.000 1.110 216 R HN 0.936 nan 8.270 nan 0.000 0.499 217 G N 0.801 109.774 108.800 0.290 0.000 2.352 217 G HA2 -0.171 3.787 3.960 -0.003 0.000 0.324 217 G HA3 -0.171 3.787 3.960 -0.003 0.000 0.324 217 G C -0.161 174.859 174.900 0.200 0.000 1.249 217 G CA -0.725 44.475 45.100 0.166 0.000 1.053 217 G HN 0.436 nan 8.290 nan 0.000 0.492 218 L N 0.530 121.635 121.223 -0.197 0.000 3.076 218 L HA 0.376 4.714 4.340 -0.003 0.000 0.271 218 L C 0.891 177.273 176.870 -0.814 0.000 1.152 218 L CA 0.672 55.387 54.840 -0.208 0.000 0.996 218 L CB 0.540 42.548 42.059 -0.084 0.000 1.453 218 L HN 0.857 nan 8.230 nan 0.000 0.571 219 Q N -1.377 117.627 119.800 -1.327 0.000 2.565 219 Q HA 0.370 4.708 4.340 -0.003 0.000 0.294 219 Q C -0.840 174.365 176.000 -1.325 0.000 1.005 219 Q CA -0.642 54.325 55.803 -1.394 0.000 0.771 219 Q CB 1.919 30.296 28.738 -0.601 0.000 1.486 219 Q HN -0.136 nan 8.270 nan 0.000 0.422 220 S N -0.828 114.483 115.700 -0.647 0.000 2.549 220 S HA 0.425 4.893 4.470 -0.003 0.000 0.286 220 S C 0.953 175.486 174.600 -0.112 0.000 1.314 220 S CA 1.574 59.753 58.200 -0.035 0.000 1.062 220 S CB -0.345 62.960 63.200 0.174 0.000 0.865 220 S HN 1.192 nan 8.310 nan 0.000 0.498 221 G N 3.972 112.774 108.800 0.004 0.000 2.184 221 G HA2 -0.146 3.812 3.960 -0.003 0.000 0.206 221 G HA3 -0.146 3.812 3.960 -0.003 0.000 0.206 221 G C -0.306 174.414 174.900 -0.301 0.000 0.995 221 G CA -0.002 44.782 45.100 -0.527 0.000 0.651 221 G HN 0.652 nan 8.290 nan 0.000 0.511 222 D N -0.643 119.703 120.400 -0.089 0.000 2.432 222 D HA 0.763 5.402 4.640 -0.003 0.000 0.258 222 D C 0.872 177.179 176.300 0.011 0.000 1.146 222 D CA -0.278 53.672 54.000 -0.084 0.000 1.015 222 D CB 0.927 41.632 40.800 -0.159 0.000 1.107 222 D HN 0.176 nan 8.370 nan 0.000 0.529 223 R N -0.539 119.884 120.500 -0.129 0.000 2.485 223 R HA 0.434 4.772 4.340 -0.003 0.000 0.235 223 R C -1.616 174.363 176.300 -0.535 0.000 1.306 223 R CA -0.130 55.784 56.100 -0.310 0.000 1.397 223 R CB 0.433 30.482 30.300 -0.419 0.000 1.416 223 R HN 0.369 nan 8.270 nan 0.000 0.781 224 A N 0.895 123.585 122.820 -0.216 0.000 2.273 224 A HA 0.573 4.891 4.320 -0.003 0.000 0.320 224 A C -0.423 177.170 177.584 0.015 0.000 1.358 224 A CA -0.267 51.685 52.037 -0.141 0.000 0.910 224 A CB 0.693 19.622 19.000 -0.119 0.000 1.159 224 A HN 0.236 nan 8.150 nan 0.000 0.526 225 T N 1.824 116.501 114.554 0.205 0.000 2.859 225 T HA 0.407 4.756 4.350 -0.003 0.000 0.281 225 T C -0.613 174.215 174.700 0.215 0.000 1.005 225 T CA -0.029 62.215 62.100 0.241 0.000 1.025 225 T CB 0.651 69.711 68.868 0.321 0.000 0.977 225 T HN 0.610 nan 8.240 nan 0.000 0.458 226 W N 2.452 123.769 121.300 0.028 0.000 2.338 226 W HA 0.555 5.213 4.660 -0.003 0.000 0.307 226 W C -0.890 175.602 176.519 -0.045 0.000 1.167 226 W CA -0.797 56.607 57.345 0.098 0.000 1.208 226 W CB 0.604 30.085 29.460 0.034 0.000 1.228 226 W HN 0.491 nan 8.180 nan 0.000 0.499 227 F N 2.844 123.022 119.950 0.379 0.000 2.460 227 F HA 0.498 5.023 4.527 -0.003 0.000 0.341 227 F C 0.902 176.839 175.800 0.230 0.000 1.130 227 F CA -1.196 56.970 58.000 0.276 0.000 0.962 227 F CB 0.790 39.904 39.000 0.190 0.000 1.171 227 F HN 0.324 nan 8.300 nan 0.000 0.436 228 G N 3.194 112.201 108.800 0.344 0.000 2.572 228 G HA2 0.546 4.505 3.960 -0.003 0.000 0.261 228 G HA3 0.546 4.505 3.960 -0.003 0.000 0.261 228 G C -0.888 173.968 174.900 -0.073 0.000 1.197 228 G CA -0.580 44.535 45.100 0.025 0.000 0.870 228 G HN 0.566 nan 8.290 nan 0.000 0.548 229 L N 0.469 121.366 121.223 -0.544 0.000 2.362 229 L HA 0.493 4.831 4.340 -0.003 0.000 0.275 229 L C -1.128 175.390 176.870 -0.587 0.000 0.998 229 L CA -0.812 53.836 54.840 -0.320 0.000 0.820 229 L CB 1.837 43.727 42.059 -0.282 0.000 1.270 229 L HN 0.466 nan 8.230 nan 0.000 0.415 230 Y N 0.435 120.569 120.300 -0.277 0.000 2.605 230 Y HA 0.447 4.996 4.550 -0.003 0.000 0.343 230 Y C -0.558 175.242 175.900 -0.166 0.000 1.036 230 Y CA -1.142 56.849 58.100 -0.182 0.000 1.065 230 Y CB 1.146 39.615 38.460 0.015 0.000 1.288 230 Y HN 0.232 nan 8.280 nan 0.000 0.481 231 Y N 0.818 121.246 120.300 0.214 0.000 2.402 231 Y HA 0.102 4.651 4.550 -0.002 0.000 0.333 231 Y C 0.931 176.904 175.900 0.122 0.000 1.076 231 Y CA -0.487 57.702 58.100 0.148 0.000 1.299 231 Y CB 0.310 38.880 38.460 0.184 0.000 1.197 231 Y HN 0.503 nan 8.280 nan 0.000 0.517 232 N N 4.327 123.162 118.700 0.225 0.000 3.059 232 N HA -0.011 4.728 4.740 -0.003 0.000 0.321 232 N C -0.584 175.023 175.510 0.161 0.000 1.224 232 N CA 0.035 53.144 53.050 0.099 0.000 1.197 232 N CB -0.559 37.965 38.487 0.061 0.000 1.453 232 N HN 0.384 nan 8.380 nan 0.000 0.544 233 I N 0.942 121.653 120.570 0.235 0.000 2.775 233 I HA -0.105 4.063 4.170 -0.003 0.000 0.290 233 I C 0.869 177.091 176.117 0.176 0.000 1.203 233 I CA 0.088 61.528 61.300 0.234 0.000 1.433 233 I CB -0.389 37.798 38.000 0.312 0.000 1.354 233 I HN 0.304 nan 8.210 nan 0.000 0.579 234 S N 3.483 119.276 115.700 0.154 0.000 2.513 234 S HA 0.518 4.986 4.470 -0.003 0.000 0.276 234 S C 0.896 175.580 174.600 0.139 0.000 1.254 234 S CA -0.135 58.141 58.200 0.126 0.000 1.053 234 S CB 1.305 64.565 63.200 0.099 0.000 0.958 234 S HN 1.249 nan 8.310 nan 0.000 0.491 235 G N 1.388 110.265 108.800 0.129 0.000 2.366 235 G HA2 0.272 4.230 3.960 -0.003 0.000 0.299 235 G HA3 0.272 4.230 3.960 -0.003 0.000 0.299 235 G C 0.232 175.236 174.900 0.172 0.000 1.020 235 G CA 0.191 45.373 45.100 0.136 0.000 1.026 235 G HN 1.985 nan 8.290 nan 0.000 0.512 236 A N -1.948 120.986 122.820 0.189 0.000 2.522 236 A HA 0.833 5.152 4.320 -0.003 0.000 0.294 236 A C 0.356 178.003 177.584 0.105 0.000 1.001 236 A CA 0.278 52.453 52.037 0.230 0.000 0.642 236 A CB -0.124 19.036 19.000 0.266 0.000 1.326 236 A HN 2.025 nan 8.150 nan 0.000 0.435 237 G N -0.132 108.574 108.800 -0.157 0.000 2.340 237 G HA2 0.447 4.405 3.960 -0.003 0.000 0.245 237 G HA3 0.447 4.405 3.960 -0.003 0.000 0.245 237 G C 0.449 175.108 174.900 -0.402 0.000 1.294 237 G CA 0.493 45.173 45.100 -0.700 0.000 0.896 237 G HN 1.634 nan 8.290 nan 0.000 0.522 238 F N 1.253 120.879 119.950 -0.541 0.000 2.569 238 F HA 0.227 4.752 4.527 -0.003 0.000 0.295 238 F C 1.709 177.303 175.800 -0.342 0.000 1.115 238 F CA -0.548 57.274 58.000 -0.296 0.000 1.450 238 F CB -0.549 38.234 39.000 -0.361 0.000 1.107 238 F HN 0.345 nan 8.300 nan 0.000 0.563 239 F N 1.617 120.983 119.950 -0.973 0.000 2.225 239 F HA -0.182 4.343 4.527 -0.003 0.000 0.302 239 F C 1.756 177.458 175.800 -0.163 0.000 1.068 239 F CA 1.216 58.807 58.000 -0.682 0.000 1.327 239 F CB -1.236 37.312 39.000 -0.753 0.000 1.043 239 F HN 0.066 nan 8.300 nan 0.000 0.506 240 L N -0.580 120.501 121.223 -0.237 0.000 2.591 240 L HA 0.031 4.369 4.340 -0.003 0.000 0.228 240 L C 0.086 176.593 176.870 -0.604 0.000 1.133 240 L CA 0.282 54.862 54.840 -0.434 0.000 0.880 240 L CB -0.424 41.234 42.059 -0.668 0.000 1.033 240 L HN 0.203 nan 8.230 nan 0.000 0.450 241 H N -1.363 117.862 119.070 0.259 0.000 2.348 241 H HA 0.240 4.794 4.556 -0.003 0.000 0.232 241 H C -0.876 174.654 175.328 0.337 0.000 1.419 241 H CA -0.549 55.682 56.048 0.305 0.000 1.416 241 H CB 0.012 29.964 29.762 0.317 0.000 1.510 241 H HN 0.161 nan 8.280 nan 0.000 0.507 242 H N 1.658 120.801 119.070 0.122 0.000 2.742 242 H HA 0.119 4.673 4.556 -0.003 0.000 0.302 242 H C 1.478 176.727 175.328 -0.130 0.000 1.069 242 H CA -0.455 55.411 56.048 -0.304 0.000 1.446 242 H CB 1.149 30.759 29.762 -0.253 0.000 1.462 242 H HN 0.295 nan 8.280 nan 0.000 0.499 243 V N 2.407 122.203 119.914 -0.197 0.000 2.913 243 V HA 0.080 4.198 4.120 -0.003 0.000 0.260 243 V C 1.503 177.474 176.094 -0.204 0.000 1.098 243 V CA 1.301 63.463 62.300 -0.230 0.000 1.121 243 V CB -0.622 30.914 31.823 -0.478 0.000 0.714 243 V HN 1.099 nan 8.190 nan 0.000 0.487 244 G N -0.256 108.589 108.800 0.074 0.000 2.184 244 G HA2 -0.182 3.777 3.960 -0.003 0.000 0.206 244 G HA3 -0.182 3.777 3.960 -0.003 0.000 0.206 244 G C -0.355 174.461 174.900 -0.142 0.000 0.995 244 G CA 0.068 44.979 45.100 -0.315 0.000 0.651 244 G HN 0.789 nan 8.290 nan 0.000 0.511 245 L N 1.669 122.936 121.223 0.073 0.000 2.313 245 L HA 0.808 5.146 4.340 -0.003 0.000 0.283 245 L C -0.333 176.666 176.870 0.215 0.000 1.013 245 L CA -0.752 54.190 54.840 0.171 0.000 0.816 245 L CB 1.189 43.302 42.059 0.090 0.000 1.236 245 L HN 0.222 nan 8.230 nan 0.000 0.419 246 E N 5.991 126.396 120.200 0.343 0.000 2.248 246 E HA 0.581 4.929 4.350 -0.003 0.000 0.267 246 E C -1.464 175.500 176.600 0.606 0.000 0.877 246 E CA -0.699 55.954 56.400 0.423 0.000 0.759 246 E CB 2.333 32.209 29.700 0.294 0.000 1.182 246 E HN 0.498 nan 8.360 nan 0.000 0.418 247 L N 2.543 124.090 121.223 0.540 0.000 2.365 247 L HA 0.455 4.793 4.340 -0.003 0.000 0.273 247 L C -0.820 176.102 176.870 0.086 0.000 1.000 247 L CA -1.205 53.811 54.840 0.294 0.000 0.819 247 L CB 1.379 43.514 42.059 0.125 0.000 1.284 247 L HN 0.332 nan 8.230 nan 0.000 0.418 248 L N 4.023 124.925 121.223 -0.534 0.000 2.288 248 L HA 0.375 4.714 4.340 -0.003 0.000 0.283 248 L C -0.390 176.313 176.870 -0.279 0.000 1.072 248 L CA -0.055 54.280 54.840 -0.842 0.000 0.862 248 L CB 1.044 42.216 42.059 -1.478 0.000 1.245 248 L HN 0.310 nan 8.230 nan 0.000 0.432 249 V N 5.007 124.917 119.914 -0.007 0.000 2.461 249 V HA 0.262 4.380 4.120 -0.003 0.000 0.275 249 V C 0.408 176.544 176.094 0.069 0.000 1.047 249 V CA -0.544 61.783 62.300 0.044 0.000 0.955 249 V CB 1.114 32.940 31.823 0.005 0.000 0.988 249 V HN 0.723 nan 8.190 nan 0.000 0.471 250 N N 3.823 122.513 118.700 -0.017 0.000 2.589 250 N HA 0.186 4.924 4.740 -0.003 0.000 0.232 250 N C 0.162 175.566 175.510 -0.176 0.000 1.015 250 N CA -0.430 52.559 53.050 -0.101 0.000 0.931 250 N CB 0.416 38.868 38.487 -0.057 0.000 1.150 250 N HN 0.870 nan 8.380 nan 0.000 0.512 251 H N 0.565 119.345 119.070 -0.483 0.000 2.524 251 H HA 0.299 4.853 4.556 -0.003 0.000 0.297 251 H C 1.134 176.070 175.328 -0.653 0.000 1.115 251 H CA -0.526 54.792 56.048 -1.216 0.000 1.027 251 H CB 0.621 29.392 29.762 -1.652 0.000 1.591 251 H HN 0.295 nan 8.280 nan 0.000 0.543 252 K N 1.062 121.290 120.400 -0.287 0.000 2.167 252 K HA 0.146 4.465 4.320 -0.003 0.000 0.203 252 K C 0.826 177.526 176.600 0.168 0.000 1.052 252 K CA 0.487 56.727 56.287 -0.080 0.000 0.956 252 K CB 0.015 32.465 32.500 -0.082 0.000 0.735 252 K HN 0.447 nan 8.250 nan 0.000 0.451 253 A N 1.342 124.367 122.820 0.342 0.000 2.498 253 A HA 0.043 4.361 4.320 -0.003 0.000 0.239 253 A C 1.005 178.847 177.584 0.430 0.000 1.068 253 A CA -0.065 52.188 52.037 0.360 0.000 0.766 253 A CB 0.144 19.336 19.000 0.320 0.000 1.003 253 A HN 0.373 nan 8.150 nan 0.000 0.497 254 L N 0.410 121.790 121.223 0.262 0.000 2.456 254 L HA -0.044 4.294 4.340 -0.003 0.000 0.224 254 L C 0.412 177.368 176.870 0.144 0.000 1.148 254 L CA 0.783 55.771 54.840 0.246 0.000 0.825 254 L CB -0.235 41.926 42.059 0.170 0.000 0.937 254 L HN 0.719 nan 8.230 nan 0.000 0.450 255 D N -0.400 120.034 120.400 0.056 0.000 2.441 255 D HA 0.201 4.840 4.640 -0.003 0.000 0.231 255 D C -1.821 174.214 176.300 -0.442 0.000 1.073 255 D CA -2.389 51.536 54.000 -0.124 0.000 0.850 255 D CB 1.735 42.492 40.800 -0.071 0.000 1.062 255 D HN -0.213 nan 8.370 nan 0.000 0.524 256 P HA -0.131 nan 4.420 nan 0.000 0.222 256 P C 0.882 177.682 177.300 -0.833 0.000 1.142 256 P CA 0.996 63.096 63.100 -1.666 0.000 0.788 256 P CB 0.290 31.272 31.700 -1.197 0.000 0.767 257 A N -0.148 122.411 122.820 -0.435 0.000 2.015 257 A HA -0.119 4.199 4.320 -0.003 0.000 0.219 257 A C 1.970 179.476 177.584 -0.129 0.000 1.163 257 A CA 1.050 52.960 52.037 -0.212 0.000 0.646 257 A CB -0.635 18.285 19.000 -0.133 0.000 0.806 257 A HN 0.141 nan 8.150 nan 0.000 0.448 258 R N -1.414 119.010 120.500 -0.127 0.000 2.388 258 R HA 0.048 4.386 4.340 -0.003 0.000 0.247 258 R C -0.775 175.650 176.300 0.209 0.000 0.931 258 R CA -0.484 55.636 56.100 0.033 0.000 1.082 258 R CB 0.120 30.454 30.300 0.057 0.000 1.135 258 R HN 0.494 nan 8.270 nan 0.000 0.525 259 W N 1.933 123.251 121.300 0.031 0.000 2.202 259 W HA 0.188 4.847 4.660 -0.003 0.000 0.332 259 W C 1.074 177.603 176.519 0.017 0.000 1.263 259 W CA -0.522 56.845 57.345 0.037 0.000 1.223 259 W CB 0.643 30.135 29.460 0.054 0.000 1.128 259 W HN -0.051 nan 8.180 nan 0.000 0.573 260 T N -0.658 114.038 114.554 0.238 0.000 2.778 260 T HA 0.646 4.994 4.350 -0.003 0.000 0.293 260 T C -0.985 173.747 174.700 0.054 0.000 1.144 260 T CA -0.973 61.197 62.100 0.117 0.000 1.010 260 T CB 1.662 70.576 68.868 0.077 0.000 1.325 260 T HN 0.110 nan 8.240 nan 0.000 0.515 261 I N 2.417 123.000 120.570 0.023 0.000 2.330 261 I HA 0.278 4.446 4.170 -0.003 0.000 0.286 261 I C 1.350 177.451 176.117 -0.027 0.000 1.025 261 I CA -0.287 61.003 61.300 -0.016 0.000 1.197 261 I CB 1.095 39.090 38.000 -0.009 0.000 1.358 261 I HN 0.832 nan 8.210 nan 0.000 0.467 262 Q N 3.604 123.359 119.800 -0.075 0.000 2.137 262 Q HA -0.021 4.317 4.340 -0.003 0.000 0.198 262 Q C 0.333 176.314 176.000 -0.032 0.000 0.960 262 Q CA 1.140 56.906 55.803 -0.063 0.000 0.847 262 Q CB 0.542 29.219 28.738 -0.102 0.000 0.915 262 Q HN 0.458 nan 8.270 nan 0.000 0.448 263 K N -0.932 119.420 120.400 -0.081 0.000 2.575 263 K HA 0.419 4.737 4.320 -0.003 0.000 0.279 263 K C -1.969 174.687 176.600 0.094 0.000 0.969 263 K CA -0.382 55.945 56.287 0.066 0.000 0.868 263 K CB 2.478 35.106 32.500 0.212 0.000 1.457 263 K HN -0.193 nan 8.250 nan 0.000 0.426 264 V N 2.751 122.836 119.914 0.284 0.000 2.735 264 V HA 0.590 4.709 4.120 -0.003 0.000 0.310 264 V C -1.408 174.955 176.094 0.448 0.000 1.061 264 V CA -0.737 61.770 62.300 0.344 0.000 0.913 264 V CB 1.701 33.645 31.823 0.202 0.000 1.005 264 V HN 0.704 nan 8.190 nan 0.000 0.428 265 F N 5.186 125.302 119.950 0.277 0.000 2.499 265 F HA 0.669 5.194 4.527 -0.003 0.000 0.333 265 F C -1.415 174.425 175.800 0.066 0.000 1.138 265 F CA -0.584 57.424 58.000 0.014 0.000 0.945 265 F CB 1.219 40.014 39.000 -0.341 0.000 1.181 265 F HN 0.527 nan 8.300 nan 0.000 0.435 266 Y N 5.497 125.484 120.300 -0.521 0.000 2.391 266 Y HA 0.277 4.825 4.550 -0.003 0.000 0.341 266 Y C 0.365 175.911 175.900 -0.590 0.000 0.965 266 Y CA -0.889 56.957 58.100 -0.422 0.000 1.067 266 Y CB 1.459 39.645 38.460 -0.457 0.000 1.199 266 Y HN 0.751 nan 8.280 nan 0.000 0.450 267 Q N 4.508 123.509 119.800 -1.333 0.000 2.329 267 Q HA -0.305 4.033 4.340 -0.003 0.000 0.325 267 Q C 0.987 176.514 176.000 -0.789 0.000 1.228 267 Q CA 1.506 56.675 55.803 -1.058 0.000 0.979 267 Q CB -1.292 26.648 28.738 -1.329 0.000 1.246 267 Q HN 1.221 nan 8.270 nan 0.000 0.470 268 G N -1.098 107.007 108.800 -1.159 0.000 2.352 268 G HA2 -0.207 3.752 3.960 -0.003 0.000 0.204 268 G HA3 -0.207 3.752 3.960 -0.003 0.000 0.204 268 G C 0.033 174.434 174.900 -0.832 0.000 1.004 268 G CA -0.082 44.328 45.100 -1.150 0.000 0.648 268 G HN 0.283 nan 8.290 nan 0.000 0.491 269 R N -0.640 119.326 120.500 -0.891 0.000 2.888 269 R HA 0.645 4.984 4.340 -0.003 0.000 0.266 269 R C -1.236 174.709 176.300 -0.592 0.000 1.020 269 R CA -0.873 54.928 56.100 -0.498 0.000 0.963 269 R CB 1.258 31.372 30.300 -0.311 0.000 1.197 269 R HN 0.093 nan 8.270 nan 0.000 0.481 270 Y N 0.742 120.762 120.300 -0.466 0.000 2.308 270 Y HA 0.332 4.881 4.550 -0.003 0.000 0.329 270 Y C -0.416 175.149 175.900 -0.558 0.000 1.111 270 Y CA -0.156 57.809 58.100 -0.225 0.000 1.179 270 Y CB 0.790 39.258 38.460 0.013 0.000 1.201 270 Y HN 0.353 nan 8.280 nan 0.000 0.483 271 Y N 0.689 121.081 120.300 0.153 0.000 2.512 271 Y HA 0.274 4.823 4.550 -0.003 0.000 0.348 271 Y C 0.652 176.618 175.900 0.110 0.000 0.990 271 Y CA -1.384 56.771 58.100 0.092 0.000 1.033 271 Y CB 1.396 39.871 38.460 0.024 0.000 1.259 271 Y HN 0.559 nan 8.280 nan 0.000 0.461 272 D N 0.487 121.004 120.400 0.195 0.000 2.277 272 D HA -0.014 4.624 4.640 -0.003 0.000 0.208 272 D C 0.151 176.518 176.300 0.111 0.000 0.962 272 D CA 1.119 55.198 54.000 0.132 0.000 0.865 272 D CB 0.356 41.208 40.800 0.087 0.000 0.939 272 D HN 0.446 nan 8.370 nan 0.000 0.510 273 S N -1.481 114.291 115.700 0.120 0.000 2.588 273 S HA 0.309 4.778 4.470 -0.003 0.000 0.269 273 S C 0.697 175.316 174.600 0.032 0.000 1.157 273 S CA -0.821 57.417 58.200 0.063 0.000 0.824 273 S CB 0.977 64.202 63.200 0.041 0.000 1.126 273 S HN -0.076 nan 8.310 nan 0.000 0.464 274 L N 1.153 122.362 121.223 -0.023 0.000 2.046 274 L HA -0.027 4.311 4.340 -0.003 0.000 0.208 274 L C 3.104 179.920 176.870 -0.089 0.000 1.077 274 L CA 1.878 56.661 54.840 -0.095 0.000 0.747 274 L CB -1.176 40.815 42.059 -0.113 0.000 0.896 274 L HN 0.942 nan 8.230 nan 0.000 0.432 275 A N -0.327 122.469 122.820 -0.041 0.000 1.859 275 A HA -0.324 3.994 4.320 -0.003 0.000 0.217 275 A C 2.314 179.894 177.584 -0.007 0.000 1.198 275 A CA 2.152 54.175 52.037 -0.022 0.000 0.629 275 A CB -0.818 18.181 19.000 -0.001 0.000 0.830 275 A HN 0.496 nan 8.150 nan 0.000 0.446 276 Q N -1.002 118.813 119.800 0.025 0.000 2.112 276 Q HA -0.227 4.111 4.340 -0.003 0.000 0.206 276 Q C 2.048 178.086 176.000 0.064 0.000 0.987 276 Q CA 1.960 57.801 55.803 0.064 0.000 0.858 276 Q CB -0.273 28.531 28.738 0.111 0.000 0.905 276 Q HN 0.576 nan 8.270 nan 0.000 0.420 277 L N 1.286 122.501 121.223 -0.012 0.000 1.961 277 L HA -0.196 4.143 4.340 -0.003 0.000 0.210 277 L C 2.281 179.049 176.870 -0.170 0.000 1.072 277 L CA 2.539 57.230 54.840 -0.248 0.000 0.749 277 L CB -1.094 40.630 42.059 -0.558 0.000 0.889 277 L HN 0.197 nan 8.230 nan 0.000 0.432 278 E N 0.200 120.310 120.200 -0.150 0.000 2.108 278 E HA -0.272 4.076 4.350 -0.003 0.000 0.203 278 E C 2.030 178.655 176.600 0.042 0.000 1.022 278 E CA 2.022 58.383 56.400 -0.065 0.000 0.823 278 E CB -0.763 28.900 29.700 -0.061 0.000 0.744 278 E HN 0.598 nan 8.360 nan 0.000 0.456 279 A N 0.703 123.533 122.820 0.018 0.000 1.849 279 A HA -0.314 4.005 4.320 -0.003 0.000 0.217 279 A C 2.191 179.792 177.584 0.028 0.000 1.202 279 A CA 2.379 54.432 52.037 0.027 0.000 0.629 279 A CB -0.943 18.073 19.000 0.027 0.000 0.834 279 A HN 0.483 nan 8.150 nan 0.000 0.447 280 Q N -1.857 117.969 119.800 0.043 0.000 2.297 280 Q HA -0.183 4.156 4.340 -0.003 0.000 0.208 280 Q C 1.875 177.890 176.000 0.024 0.000 0.981 280 Q CA 1.498 57.329 55.803 0.048 0.000 0.876 280 Q CB -0.353 28.458 28.738 0.122 0.000 0.921 280 Q HN 0.791 nan 8.270 nan 0.000 0.446 281 F N 2.684 122.569 119.950 -0.107 0.000 2.084 281 F HA -0.137 4.388 4.527 -0.003 0.000 0.296 281 F C 1.902 177.641 175.800 -0.101 0.000 1.111 281 F CA 1.693 59.614 58.000 -0.131 0.000 1.224 281 F CB -0.057 38.824 39.000 -0.197 0.000 0.991 281 F HN 0.023 nan 8.300 nan 0.000 0.471 282 E N 0.316 120.331 120.200 -0.307 0.000 2.482 282 E HA 0.060 4.408 4.350 -0.003 0.000 0.196 282 E C 1.996 178.445 176.600 -0.251 0.000 1.047 282 E CA 0.602 56.775 56.400 -0.378 0.000 0.869 282 E CB -0.383 29.263 29.700 -0.089 0.000 0.836 282 E HN 0.458 nan 8.360 nan 0.000 0.520 283 A N 1.549 124.266 122.820 -0.172 0.000 1.970 283 A HA 0.260 4.578 4.320 -0.003 0.000 0.216 283 A C 2.047 179.550 177.584 -0.135 0.000 1.170 283 A CA 1.006 52.978 52.037 -0.109 0.000 0.645 283 A CB -0.324 18.646 19.000 -0.050 0.000 0.816 283 A HN 0.452 nan 8.150 nan 0.000 0.447 284 G N -2.359 106.323 108.800 -0.196 0.000 2.154 284 G HA2 -0.144 3.814 3.960 -0.003 0.000 0.186 284 G HA3 -0.144 3.814 3.960 -0.003 0.000 0.186 284 G C 0.433 175.277 174.900 -0.094 0.000 1.000 284 G CA 0.328 45.318 45.100 -0.184 0.000 0.664 284 G HN 0.775 nan 8.290 nan 0.000 0.513 285 L N 0.805 121.998 121.223 -0.049 0.000 2.693 285 L HA 0.570 4.908 4.340 -0.003 0.000 0.235 285 L C 0.594 177.498 176.870 0.055 0.000 1.127 285 L CA 0.225 55.071 54.840 0.009 0.000 0.914 285 L CB 1.055 43.130 42.059 0.026 0.000 1.193 285 L HN 0.061 nan 8.230 nan 0.000 0.502 286 V N 1.243 121.194 119.914 0.062 0.000 2.293 286 V HA 0.291 4.409 4.120 -0.003 0.000 0.275 286 V C -0.129 176.058 176.094 0.155 0.000 1.021 286 V CA -0.760 61.621 62.300 0.134 0.000 0.815 286 V CB 0.857 32.767 31.823 0.144 0.000 1.025 286 V HN 0.270 nan 8.190 nan 0.000 0.448 287 N N 4.120 122.902 118.700 0.136 0.000 2.475 287 N HA 0.265 5.003 4.740 -0.003 0.000 0.267 287 N C -0.728 174.894 175.510 0.187 0.000 1.169 287 N CA 0.134 53.270 53.050 0.143 0.000 0.947 287 N CB 1.256 39.810 38.487 0.112 0.000 1.061 287 N HN 0.377 nan 8.380 nan 0.000 0.466 288 V N 3.984 124.032 119.914 0.224 0.000 2.459 288 V HA 0.316 4.434 4.120 -0.003 0.000 0.295 288 V C -0.241 175.949 176.094 0.159 0.000 1.029 288 V CA -0.903 61.533 62.300 0.227 0.000 0.874 288 V CB 1.726 33.737 31.823 0.314 0.000 0.985 288 V HN 0.409 nan 8.190 nan 0.000 0.438 289 V N 6.640 126.596 119.914 0.070 0.000 2.348 289 V HA 0.306 4.424 4.120 -0.003 0.000 0.270 289 V C 0.202 176.279 176.094 -0.029 0.000 1.037 289 V CA -0.394 61.926 62.300 0.033 0.000 0.872 289 V CB 1.060 32.927 31.823 0.074 0.000 1.002 289 V HN 0.618 nan 8.190 nan 0.000 0.464 290 L N 6.222 127.461 121.223 0.027 0.000 2.462 290 L HA 0.243 4.581 4.340 -0.003 0.000 0.272 290 L C -0.095 176.795 176.870 0.034 0.000 1.166 290 L CA 0.062 54.923 54.840 0.036 0.000 0.880 290 L CB 0.242 42.352 42.059 0.086 0.000 1.142 290 L HN 0.417 nan 8.230 nan 0.000 0.473 291 I N 5.798 126.394 120.570 0.042 0.000 2.304 291 I HA 0.274 4.443 4.170 -0.003 0.000 0.291 291 I C -1.770 174.420 176.117 0.122 0.000 1.018 291 I CA -2.417 58.987 61.300 0.173 0.000 1.260 291 I CB 0.818 38.980 38.000 0.269 0.000 1.390 291 I HN 0.351 nan 8.210 nan 0.000 0.475 292 P HA 0.052 nan 4.420 nan 0.000 0.266 292 P C 0.042 177.215 177.300 -0.212 0.000 1.195 292 P CA 0.044 63.170 63.100 0.043 0.000 0.768 292 P CB 1.101 32.870 31.700 0.115 0.000 0.838 293 D N 0.812 120.956 120.400 -0.428 0.000 2.349 293 D HA 0.043 4.681 4.640 -0.003 0.000 0.214 293 D C 0.083 176.057 176.300 -0.543 0.000 1.063 293 D CA 0.103 53.620 54.000 -0.806 0.000 0.847 293 D CB -0.043 40.379 40.800 -0.629 0.000 0.933 293 D HN 0.277 nan 8.370 nan 0.000 0.513 294 N N -1.286 116.949 118.700 -0.775 0.000 2.927 294 N HA 0.570 5.308 4.740 -0.003 0.000 0.248 294 N C -0.830 173.638 175.510 -1.736 0.000 1.443 294 N CA 0.019 52.378 53.050 -1.152 0.000 0.870 294 N CB 1.783 39.966 38.487 -0.506 0.000 1.444 294 N HN 0.089 nan 8.380 nan 0.000 0.519 295 G N -0.776 106.938 108.800 -1.810 0.000 2.364 295 G HA2 0.443 4.401 3.960 -0.003 0.000 0.286 295 G HA3 0.443 4.401 3.960 -0.003 0.000 0.286 295 G C -1.781 172.716 174.900 -0.672 0.000 1.241 295 G CA -0.375 43.862 45.100 -1.438 0.000 0.887 295 G HN 0.583 nan 8.290 nan 0.000 0.484 296 T N -0.752 113.706 114.554 -0.160 0.000 2.906 296 T HA 0.840 5.189 4.350 -0.003 0.000 0.295 296 T C 0.324 175.239 174.700 0.360 0.000 1.075 296 T CA 0.834 63.023 62.100 0.148 0.000 1.005 296 T CB 1.404 70.310 68.868 0.064 0.000 1.136 296 T HN 2.495 nan 8.240 nan 0.000 0.498 297 G N 0.552 109.515 108.800 0.272 0.000 2.610 297 G HA2 0.153 4.111 3.960 -0.003 0.000 0.304 297 G HA3 0.153 4.111 3.960 -0.003 0.000 0.304 297 G C 0.873 175.917 174.900 0.240 0.000 1.309 297 G CA 0.102 45.339 45.100 0.229 0.000 0.906 297 G HN 1.158 nan 8.290 nan 0.000 0.521 298 G N -0.212 108.685 108.800 0.162 0.000 2.422 298 G HA2 0.092 4.051 3.960 -0.003 0.000 0.218 298 G HA3 0.092 4.051 3.960 -0.003 0.000 0.218 298 G C 2.282 177.259 174.900 0.129 0.000 1.146 298 G CA 2.411 47.589 45.100 0.130 0.000 0.769 298 G HN 2.102 nan 8.290 nan 0.000 0.547 299 S N -0.966 114.768 115.700 0.057 0.000 2.465 299 S HA -0.123 4.345 4.470 -0.003 0.000 0.241 299 S C 1.779 176.180 174.600 -0.333 0.000 1.000 299 S CA 1.261 59.364 58.200 -0.162 0.000 0.964 299 S CB -0.410 62.644 63.200 -0.244 0.000 0.763 299 S HN 0.682 nan 8.310 nan 0.000 0.512 300 W N 1.552 123.009 121.300 0.262 0.000 2.968 300 W HA 0.405 5.063 4.660 -0.003 0.000 0.253 300 W C 0.852 177.485 176.519 0.189 0.000 1.150 300 W CA 0.115 57.591 57.345 0.219 0.000 1.463 300 W CB 0.211 29.733 29.460 0.104 0.000 0.906 300 W HN 0.364 nan 8.180 nan 0.000 0.650 301 S N -0.680 115.230 115.700 0.349 0.000 2.651 301 S HA 0.533 5.001 4.470 -0.003 0.000 0.279 301 S C -0.345 174.379 174.600 0.207 0.000 1.148 301 S CA -0.710 57.647 58.200 0.262 0.000 0.837 301 S CB 1.799 65.126 63.200 0.212 0.000 1.138 301 S HN 0.023 nan 8.310 nan 0.000 0.478 302 L N 0.001 121.329 121.223 0.174 0.000 2.638 302 L HA 0.406 4.744 4.340 -0.003 0.000 0.232 302 L C 0.932 177.850 176.870 0.080 0.000 1.099 302 L CA 0.055 54.965 54.840 0.117 0.000 0.883 302 L CB 0.137 42.267 42.059 0.120 0.000 1.136 302 L HN 0.679 nan 8.230 nan 0.000 0.492 303 K N 1.517 121.972 120.400 0.091 0.000 2.349 303 K HA 0.072 4.390 4.320 -0.003 0.000 0.289 303 K C 0.237 176.874 176.600 0.061 0.000 1.064 303 K CA -0.027 56.301 56.287 0.068 0.000 0.947 303 K CB 0.849 33.392 32.500 0.071 0.000 1.007 303 K HN -0.114 nan 8.250 nan 0.000 0.478 304 S N 5.293 121.019 115.700 0.043 0.000 2.516 304 S HA 0.117 4.586 4.470 -0.003 0.000 0.282 304 S C -0.960 173.662 174.600 0.038 0.000 1.286 304 S CA -1.377 56.846 58.200 0.037 0.000 1.066 304 S CB 0.741 63.956 63.200 0.024 0.000 0.884 304 S HN 0.627 nan 8.310 nan 0.000 0.491 305 P HA 0.005 nan 4.420 nan 0.000 0.223 305 P C 0.080 177.397 177.300 0.028 0.000 1.151 305 P CA 0.429 63.551 63.100 0.037 0.000 0.787 305 P CB -0.046 31.679 31.700 0.041 0.000 0.788 306 V N 4.092 124.021 119.914 0.024 0.000 2.583 306 V HA 0.213 4.331 4.120 -0.003 0.000 0.287 306 V C -1.635 174.468 176.094 0.016 0.000 1.051 306 V CA -1.439 60.872 62.300 0.018 0.000 1.010 306 V CB 0.648 32.480 31.823 0.015 0.000 0.988 306 V HN 0.153 nan 8.190 nan 0.000 0.478 307 P HA 0.407 nan 4.420 nan 0.000 0.282 307 P C -2.565 174.740 177.300 0.009 0.000 1.249 307 P CA -1.350 61.757 63.100 0.012 0.000 0.806 307 P CB 0.227 31.933 31.700 0.010 0.000 0.984 308 P HA 0.175 nan 4.420 nan 0.000 0.271 308 P C 0.488 177.790 177.300 0.003 0.000 1.228 308 P CA 0.205 63.308 63.100 0.006 0.000 0.797 308 P CB 0.061 31.764 31.700 0.005 0.000 0.914 309 G N -0.393 108.407 108.800 0.001 0.000 3.214 309 G HA2 0.564 4.522 3.960 -0.003 0.000 0.188 309 G HA3 0.564 4.522 3.960 -0.003 0.000 0.188 309 G C -2.575 172.323 174.900 -0.003 0.000 1.126 309 G CA -0.641 44.459 45.100 -0.001 0.000 0.796 309 G HN 0.378 nan 8.290 nan 0.000 0.631 310 P HA 0.508 nan 4.420 nan 0.000 0.271 310 P C -0.160 177.136 177.300 -0.006 0.000 1.216 310 P CA -0.062 63.035 63.100 -0.006 0.000 0.776 310 P CB 1.109 32.806 31.700 -0.005 0.000 0.881 311 A N 4.805 127.620 122.820 -0.010 0.000 2.511 311 A HA 0.311 4.629 4.320 -0.003 0.000 0.242 311 A C -1.537 176.045 177.584 -0.004 0.000 1.069 311 A CA -0.790 51.241 52.037 -0.010 0.000 0.763 311 A CB -1.019 17.968 19.000 -0.022 0.000 1.001 311 A HN 0.485 nan 8.150 nan 0.000 0.498 312 P HA 0.233 nan 4.420 nan 0.000 0.271 312 P C -2.445 174.861 177.300 0.009 0.000 1.216 312 P CA -0.893 62.210 63.100 0.004 0.000 0.776 312 P CB -0.247 31.456 31.700 0.005 0.000 0.881 313 P HA -0.061 nan 4.420 nan 0.000 0.263 313 P C -0.704 176.612 177.300 0.027 0.000 1.162 313 P CA 0.159 63.272 63.100 0.021 0.000 0.758 313 P CB 0.386 32.097 31.700 0.019 0.000 0.773 314 L N 2.665 123.914 121.223 0.044 0.000 2.346 314 L HA 0.333 4.671 4.340 -0.003 0.000 0.276 314 L C -0.074 176.849 176.870 0.089 0.000 1.006 314 L CA -0.480 54.393 54.840 0.055 0.000 0.817 314 L CB 1.780 43.864 42.059 0.042 0.000 1.272 314 L HN 0.288 nan 8.230 nan 0.000 0.421 315 Q N 3.926 123.759 119.800 0.055 0.000 2.235 315 Q HA 0.476 4.814 4.340 -0.003 0.000 0.250 315 Q C -1.364 174.669 176.000 0.055 0.000 0.909 315 Q CA -0.174 55.640 55.803 0.018 0.000 0.910 315 Q CB 2.086 30.799 28.738 -0.041 0.000 1.223 315 Q HN 0.591 nan 8.270 nan 0.000 0.432 316 F N 0.182 120.051 119.950 -0.134 0.000 2.665 316 F HA 0.422 4.948 4.527 -0.001 0.000 0.308 316 F C -2.066 173.665 175.800 -0.115 0.000 1.112 316 F CA -1.284 56.603 58.000 -0.189 0.000 0.972 316 F CB 0.718 39.673 39.000 -0.074 0.000 1.295 316 F HN 0.268 nan 8.300 nan 0.000 0.440 317 Y N 4.179 124.587 120.300 0.180 0.000 2.425 317 Y HA 0.371 4.919 4.550 -0.002 0.000 0.347 317 Y C -1.623 174.399 175.900 0.204 0.000 0.976 317 Y CA -2.482 55.654 58.100 0.061 0.000 1.190 317 Y CB 0.316 38.852 38.460 0.128 0.000 1.136 317 Y HN 0.456 nan 8.280 nan 0.000 0.517 318 P HA -0.178 nan 4.420 nan 0.000 0.218 318 P C 0.136 177.609 177.300 0.288 0.000 1.149 318 P CA 1.590 64.913 63.100 0.372 0.000 0.817 318 P CB 0.501 32.271 31.700 0.116 0.000 0.785 319 Q N -0.760 119.158 119.800 0.197 0.000 2.159 319 Q HA 0.423 4.761 4.340 -0.003 0.000 0.217 319 Q C 0.588 176.653 176.000 0.108 0.000 0.818 319 Q CA 0.106 55.988 55.803 0.132 0.000 1.008 319 Q CB 1.066 29.853 28.738 0.082 0.000 1.148 319 Q HN 0.232 nan 8.270 nan 0.000 0.491 320 G N 2.557 111.461 108.800 0.174 0.000 2.592 320 G HA2 -0.142 3.816 3.960 -0.003 0.000 0.684 320 G HA3 -0.142 3.816 3.960 -0.003 0.000 0.684 320 G C -2.987 171.831 174.900 -0.136 0.000 1.291 320 G CA -1.159 44.002 45.100 0.103 0.000 0.891 320 G HN -0.013 nan 8.290 nan 0.000 0.544 321 P HA 0.266 nan 4.420 nan 0.000 0.271 321 P C 0.107 177.070 177.300 -0.561 0.000 1.216 321 P CA -0.029 62.517 63.100 -0.923 0.000 0.776 321 P CB 0.695 31.826 31.700 -0.948 0.000 0.881 322 R N 1.733 121.978 120.500 -0.425 0.000 2.468 322 R HA 0.244 4.583 4.340 -0.003 0.000 0.280 322 R C 0.358 176.651 176.300 -0.012 0.000 0.963 322 R CA 0.023 56.040 56.100 -0.139 0.000 1.083 322 R CB -0.205 30.083 30.300 -0.021 0.000 1.200 322 R HN 0.532 nan 8.270 nan 0.000 0.541 323 F N -1.154 118.720 119.950 -0.127 0.000 2.679 323 F HA 0.700 5.225 4.527 -0.003 0.000 0.341 323 F C -0.429 175.329 175.800 -0.070 0.000 1.095 323 F CA -1.468 56.481 58.000 -0.085 0.000 1.004 323 F CB 1.265 40.220 39.000 -0.075 0.000 1.388 323 F HN -0.214 nan 8.300 nan 0.000 0.505 324 S N 0.283 116.068 115.700 0.142 0.000 2.680 324 S HA 0.515 4.983 4.470 -0.003 0.000 0.262 324 S C -1.512 173.164 174.600 0.126 0.000 1.138 324 S CA -0.740 57.480 58.200 0.032 0.000 1.072 324 S CB 0.452 63.634 63.200 -0.029 0.000 1.097 324 S HN 0.752 nan 8.310 nan 0.000 0.468 325 V N 4.075 124.113 119.914 0.207 0.000 2.397 325 V HA 0.327 4.445 4.120 -0.003 0.000 0.262 325 V C 0.347 176.512 176.094 0.118 0.000 1.047 325 V CA 0.042 62.470 62.300 0.213 0.000 1.003 325 V CB 0.573 32.593 31.823 0.328 0.000 1.037 325 V HN 0.909 nan 8.190 nan 0.000 0.480 326 Q N 3.922 123.752 119.800 0.050 0.000 2.730 326 Q HA 0.444 4.783 4.340 -0.003 0.000 0.244 326 Q C 0.771 176.766 176.000 -0.007 0.000 1.176 326 Q CA 0.734 56.550 55.803 0.020 0.000 1.024 326 Q CB 0.893 29.628 28.738 -0.005 0.000 1.215 326 Q HN 1.080 nan 8.270 nan 0.000 0.542 327 G N 1.359 110.171 108.800 0.020 0.000 2.650 327 G HA2 -0.300 3.658 3.960 -0.003 0.000 0.264 327 G HA3 -0.300 3.658 3.960 -0.003 0.000 0.264 327 G C 0.653 175.460 174.900 -0.156 0.000 1.263 327 G CA 0.236 45.325 45.100 -0.018 0.000 0.960 327 G HN 0.435 nan 8.290 nan 0.000 0.548 328 S N 1.143 116.654 115.700 -0.315 0.000 2.503 328 S HA 0.252 4.720 4.470 -0.003 0.000 0.215 328 S C 1.078 175.207 174.600 -0.785 0.000 1.003 328 S CA 0.274 57.995 58.200 -0.798 0.000 0.910 328 S CB 0.103 63.016 63.200 -0.477 0.000 0.790 328 S HN 0.509 nan 8.310 nan 0.000 0.514 329 R N 1.818 122.124 120.500 -0.324 0.000 2.229 329 R HA 0.439 4.777 4.340 -0.003 0.000 0.328 329 R C -1.079 175.127 176.300 -0.157 0.000 1.009 329 R CA -0.144 55.839 56.100 -0.195 0.000 0.864 329 R CB 1.311 31.548 30.300 -0.105 0.000 1.085 329 R HN 0.046 nan 8.270 nan 0.000 0.453 330 V N 2.309 122.056 119.914 -0.279 0.000 2.481 330 V HA 0.609 4.727 4.120 -0.003 0.000 0.286 330 V C 0.018 175.839 176.094 -0.456 0.000 1.042 330 V CA -0.590 61.513 62.300 -0.328 0.000 0.928 330 V CB 1.609 33.097 31.823 -0.558 0.000 0.986 330 V HN 0.893 nan 8.190 nan 0.000 0.462 331 A N 3.560 126.260 122.820 -0.199 0.000 2.408 331 A HA 0.868 5.186 4.320 -0.003 0.000 0.295 331 A C -0.252 177.317 177.584 -0.025 0.000 1.040 331 A CA -0.078 51.875 52.037 -0.141 0.000 0.707 331 A CB 1.935 20.885 19.000 -0.083 0.000 1.235 331 A HN 1.044 nan 8.150 nan 0.000 0.418 332 S N 0.681 116.382 115.700 0.001 0.000 2.851 332 S HA 0.634 5.103 4.470 -0.003 0.000 0.317 332 S C 1.101 175.730 174.600 0.048 0.000 1.144 332 S CA 0.319 58.565 58.200 0.077 0.000 0.862 332 S CB 0.737 64.029 63.200 0.153 0.000 1.259 332 S HN 1.127 nan 8.310 nan 0.000 0.564 333 S N 0.739 116.475 115.700 0.060 0.000 2.370 333 S HA -0.032 4.436 4.470 -0.003 0.000 0.226 333 S C 1.702 176.278 174.600 -0.041 0.000 1.033 333 S CA 1.476 59.684 58.200 0.013 0.000 1.011 333 S CB -0.899 62.321 63.200 0.033 0.000 0.852 333 S HN 0.595 nan 8.310 nan 0.000 0.457 334 L N -2.047 119.171 121.223 -0.008 0.000 2.362 334 L HA 0.324 4.663 4.340 -0.003 0.000 0.204 334 L C 0.495 177.222 176.870 -0.239 0.000 1.060 334 L CA 0.031 54.748 54.840 -0.206 0.000 0.827 334 L CB -0.077 41.955 42.059 -0.045 0.000 1.027 334 L HN 0.295 nan 8.230 nan 0.000 0.474 335 W N 0.196 121.596 121.300 0.165 0.000 2.655 335 W HA 0.542 5.201 4.660 -0.003 0.000 0.358 335 W C -0.270 176.195 176.519 -0.090 0.000 1.100 335 W CA -0.402 57.013 57.345 0.117 0.000 1.195 335 W CB 1.430 30.911 29.460 0.035 0.000 1.403 335 W HN -0.230 nan 8.180 nan 0.000 0.589 336 T N 0.272 114.927 114.554 0.169 0.000 3.097 336 T HA 0.733 5.081 4.350 -0.003 0.000 0.332 336 T C -1.204 173.515 174.700 0.030 0.000 1.269 336 T CA -0.864 61.187 62.100 -0.082 0.000 1.076 336 T CB 1.113 69.981 68.868 -0.001 0.000 1.209 336 T HN 0.667 nan 8.240 nan 0.000 0.474 337 F N -1.789 118.173 119.950 0.020 0.000 2.799 337 F HA 0.839 5.364 4.527 -0.003 0.000 0.316 337 F C -1.124 174.695 175.800 0.031 0.000 1.155 337 F CA -1.237 56.781 58.000 0.030 0.000 0.916 337 F CB 0.921 39.901 39.000 -0.032 0.000 1.294 337 F HN 0.717 nan 8.300 nan 0.000 0.447 338 S N 0.804 116.753 115.700 0.414 0.000 2.578 338 S HA 0.902 5.371 4.470 -0.003 0.000 0.301 338 S C -1.148 173.650 174.600 0.330 0.000 1.091 338 S CA -0.482 57.846 58.200 0.213 0.000 1.032 338 S CB 0.899 64.225 63.200 0.209 0.000 1.064 338 S HN 0.930 nan 8.310 nan 0.000 0.508 339 F N 0.558 120.632 119.950 0.207 0.000 2.640 339 F HA 1.020 5.546 4.527 -0.003 0.000 0.324 339 F C 0.187 175.985 175.800 -0.004 0.000 1.077 339 F CA -0.587 57.447 58.000 0.058 0.000 0.965 339 F CB 0.993 39.944 39.000 -0.082 0.000 1.351 339 F HN 0.810 nan 8.300 nan 0.000 0.487 340 G N 0.033 109.039 108.800 0.343 0.000 2.490 340 G HA2 0.571 4.529 3.960 -0.003 0.000 0.308 340 G HA3 0.571 4.529 3.960 -0.003 0.000 0.308 340 G C -2.822 172.323 174.900 0.409 0.000 1.286 340 G CA -0.841 44.469 45.100 0.349 0.000 0.825 340 G HN 0.904 nan 8.290 nan 0.000 0.479 341 L N 0.464 121.893 121.223 0.344 0.000 2.505 341 L HA 0.723 5.061 4.340 -0.003 0.000 0.266 341 L C 0.406 177.328 176.870 0.087 0.000 0.954 341 L CA -0.043 54.786 54.840 -0.019 0.000 0.852 341 L CB 1.780 43.385 42.059 -0.756 0.000 1.282 341 L HN 1.051 nan 8.230 nan 0.000 0.403 342 G N 2.556 111.366 108.800 0.016 0.000 2.370 342 G HA2 0.455 4.414 3.960 -0.003 0.000 0.272 342 G HA3 0.455 4.414 3.960 -0.003 0.000 0.272 342 G C 0.881 175.817 174.900 0.060 0.000 1.208 342 G CA 0.081 45.251 45.100 0.117 0.000 0.856 342 G HN 1.060 nan 8.290 nan 0.000 0.500 343 A N 2.381 125.297 122.820 0.161 0.000 1.948 343 A HA -0.053 4.265 4.320 -0.003 0.000 0.220 343 A C 1.707 179.046 177.584 -0.408 0.000 1.177 343 A CA 1.709 53.712 52.037 -0.056 0.000 0.636 343 A CB -0.292 18.513 19.000 -0.325 0.000 0.815 343 A HN 0.649 nan 8.150 nan 0.000 0.449 344 F N -1.022 118.991 119.950 0.104 0.000 2.537 344 F HA 0.045 4.571 4.527 -0.003 0.000 0.277 344 F C 2.797 178.551 175.800 -0.076 0.000 1.013 344 F CA 0.704 58.727 58.000 0.037 0.000 1.332 344 F CB -0.411 38.620 39.000 0.052 0.000 1.108 344 F HN 0.235 nan 8.300 nan 0.000 0.679 345 S N 0.050 115.816 115.700 0.109 0.000 2.368 345 S HA 0.318 4.786 4.470 -0.003 0.000 0.225 345 S C 1.344 175.764 174.600 -0.300 0.000 1.030 345 S CA 0.885 59.031 58.200 -0.089 0.000 0.999 345 S CB -0.746 62.429 63.200 -0.043 0.000 0.844 345 S HN 0.721 nan 8.310 nan 0.000 0.459 346 G N 0.529 109.157 108.800 -0.286 0.000 2.483 346 G HA2 0.059 4.017 3.960 -0.003 0.000 0.521 346 G HA3 0.059 4.017 3.960 -0.003 0.000 0.521 346 G C -3.264 171.392 174.900 -0.406 0.000 1.278 346 G CA -0.734 44.074 45.100 -0.487 0.000 0.965 346 G HN 0.374 nan 8.290 nan 0.000 0.504 347 P HA 0.262 nan 4.420 nan 0.000 0.264 347 P C -0.049 177.147 177.300 -0.174 0.000 1.173 347 P CA 0.830 63.803 63.100 -0.212 0.000 0.761 347 P CB 0.151 31.747 31.700 -0.174 0.000 0.794 348 R N 2.264 122.719 120.500 -0.075 0.000 2.604 348 R HA 0.734 5.072 4.340 -0.003 0.000 0.270 348 R C -1.581 174.587 176.300 -0.219 0.000 1.052 348 R CA -0.860 55.119 56.100 -0.202 0.000 0.902 348 R CB 1.272 31.476 30.300 -0.161 0.000 1.233 348 R HN 0.253 nan 8.270 nan 0.000 0.455 349 I N 2.683 122.967 120.570 -0.477 0.000 2.582 349 I HA 0.508 4.676 4.170 -0.003 0.000 0.292 349 I C -1.165 174.562 176.117 -0.651 0.000 1.066 349 I CA -0.974 60.118 61.300 -0.347 0.000 1.053 349 I CB 1.884 39.714 38.000 -0.283 0.000 1.241 349 I HN 0.487 nan 8.210 nan 0.000 0.421 350 F N 2.251 122.061 119.950 -0.233 0.000 2.579 350 F HA 0.375 4.900 4.527 -0.003 0.000 0.324 350 F C 0.292 175.948 175.800 -0.240 0.000 1.058 350 F CA -0.896 56.819 58.000 -0.475 0.000 0.944 350 F CB 0.879 39.187 39.000 -1.154 0.000 1.245 350 F HN 0.479 nan 8.300 nan 0.000 0.477 351 D N 1.369 121.724 120.400 -0.075 0.000 3.038 351 D HA -0.162 4.477 4.640 -0.003 0.000 0.229 351 D C -1.247 175.182 176.300 0.215 0.000 1.182 351 D CA 0.308 54.373 54.000 0.109 0.000 0.852 351 D CB -0.550 40.380 40.800 0.218 0.000 0.932 351 D HN 0.232 nan 8.370 nan 0.000 0.406 352 V N 4.254 124.301 119.914 0.221 0.000 2.353 352 V HA 0.354 4.472 4.120 -0.003 0.000 0.264 352 V C 1.057 177.385 176.094 0.390 0.000 1.049 352 V CA -0.249 62.266 62.300 0.359 0.000 0.896 352 V CB 0.998 33.028 31.823 0.344 0.000 1.025 352 V HN 0.220 nan 8.190 nan 0.000 0.475 353 R N 4.386 125.123 120.500 0.395 0.000 2.338 353 R HA 0.487 4.826 4.340 -0.003 0.000 0.317 353 R C -0.948 175.564 176.300 0.354 0.000 0.968 353 R CA -0.463 55.831 56.100 0.322 0.000 0.849 353 R CB 1.660 32.081 30.300 0.203 0.000 1.128 353 R HN 0.579 nan 8.270 nan 0.000 0.448 354 F N 3.683 123.678 119.950 0.076 0.000 2.361 354 F HA 0.153 4.678 4.527 -0.003 0.000 0.364 354 F C 0.111 175.856 175.800 -0.092 0.000 1.120 354 F CA -0.609 57.226 58.000 -0.276 0.000 1.102 354 F CB 0.559 39.278 39.000 -0.468 0.000 1.183 354 F HN 0.634 nan 8.300 nan 0.000 0.476 355 Q N 4.519 124.001 119.800 -0.531 0.000 2.468 355 Q HA -0.247 4.092 4.340 -0.003 0.000 0.289 355 Q C 1.083 176.992 176.000 -0.150 0.000 1.299 355 Q CA 0.857 56.406 55.803 -0.424 0.000 0.838 355 Q CB -1.861 26.513 28.738 -0.607 0.000 1.195 355 Q HN 1.338 nan 8.270 nan 0.000 0.456 356 G N 0.244 109.012 108.800 -0.053 0.000 2.383 356 G HA2 -0.372 3.586 3.960 -0.003 0.000 0.229 356 G HA3 -0.372 3.586 3.960 -0.003 0.000 0.229 356 G C -0.007 174.939 174.900 0.078 0.000 1.089 356 G CA 0.328 45.435 45.100 0.012 0.000 0.640 356 G HN 0.504 nan 8.290 nan 0.000 0.510 357 E N 1.293 121.565 120.200 0.120 0.000 2.223 357 E HA 0.503 4.852 4.350 -0.003 0.000 0.282 357 E C 0.577 177.326 176.600 0.248 0.000 1.046 357 E CA -0.739 55.777 56.400 0.192 0.000 0.857 357 E CB 0.347 30.197 29.700 0.250 0.000 1.055 357 E HN 0.436 nan 8.360 nan 0.000 0.409 358 R N 4.709 125.342 120.500 0.221 0.000 2.370 358 R HA 0.094 4.433 4.340 -0.003 0.000 0.309 358 R C 0.390 176.826 176.300 0.227 0.000 1.059 358 R CA 0.056 56.293 56.100 0.229 0.000 0.981 358 R CB 0.392 30.819 30.300 0.211 0.000 0.972 358 R HN 0.748 nan 8.270 nan 0.000 0.437 359 L N 3.807 125.141 121.223 0.184 0.000 2.269 359 L HA 0.221 4.559 4.340 -0.003 0.000 0.200 359 L C 0.001 176.891 176.870 0.033 0.000 1.069 359 L CA 0.175 55.038 54.840 0.038 0.000 0.804 359 L CB 0.321 42.276 42.059 -0.173 0.000 0.987 359 L HN 0.329 nan 8.230 nan 0.000 0.468 360 V N -1.466 118.494 119.914 0.076 0.000 2.604 360 V HA 0.128 4.246 4.120 -0.003 0.000 0.305 360 V C 0.116 176.281 176.094 0.118 0.000 1.043 360 V CA -0.622 61.715 62.300 0.062 0.000 0.888 360 V CB 1.945 33.764 31.823 -0.006 0.000 0.995 360 V HN 0.111 nan 8.190 nan 0.000 0.429 361 Y N 2.594 122.901 120.300 0.012 0.000 2.436 361 Y HA 0.335 4.884 4.550 -0.003 0.000 0.288 361 Y C 0.859 176.739 175.900 -0.033 0.000 1.112 361 Y CA 1.131 59.254 58.100 0.038 0.000 1.220 361 Y CB 0.638 39.131 38.460 0.055 0.000 1.073 361 Y HN 0.702 nan 8.280 nan 0.000 0.552 362 E N 0.282 120.441 120.200 -0.069 0.000 2.381 362 E HA 0.359 4.707 4.350 -0.003 0.000 0.286 362 E C -1.932 174.477 176.600 -0.317 0.000 0.960 362 E CA -0.555 55.626 56.400 -0.365 0.000 0.793 362 E CB 1.328 30.889 29.700 -0.232 0.000 1.225 362 E HN 0.182 nan 8.360 nan 0.000 0.420 363 I N 3.876 124.188 120.570 -0.429 0.000 2.542 363 I HA 0.224 4.393 4.170 -0.003 0.000 0.278 363 I C -0.805 175.125 176.117 -0.312 0.000 1.069 363 I CA -0.492 60.641 61.300 -0.279 0.000 1.100 363 I CB 1.499 39.369 38.000 -0.217 0.000 1.204 363 I HN 0.448 nan 8.210 nan 0.000 0.470 364 S N 5.318 120.862 115.700 -0.260 0.000 2.536 364 S HA 0.685 5.154 4.470 -0.003 0.000 0.298 364 S C -0.725 173.778 174.600 -0.163 0.000 1.083 364 S CA -0.850 57.207 58.200 -0.238 0.000 0.995 364 S CB 2.637 65.669 63.200 -0.280 0.000 1.058 364 S HN 0.401 nan 8.310 nan 0.000 0.488 365 L N 2.000 123.068 121.223 -0.258 0.000 2.426 365 L HA 0.378 4.716 4.340 -0.003 0.000 0.271 365 L C 0.937 177.507 176.870 -0.500 0.000 1.169 365 L CA 0.633 55.140 54.840 -0.556 0.000 0.836 365 L CB 0.413 41.976 42.059 -0.827 0.000 1.112 365 L HN 0.797 nan 8.230 nan 0.000 0.465 366 Q N 1.925 121.361 119.800 -0.607 0.000 2.548 366 Q HA 0.273 4.612 4.340 -0.003 0.000 0.230 366 Q C -0.116 175.591 176.000 -0.488 0.000 0.899 366 Q CA 0.408 55.950 55.803 -0.434 0.000 0.936 366 Q CB 0.695 29.197 28.738 -0.394 0.000 1.114 366 Q HN 0.730 nan 8.270 nan 0.000 0.606 367 E N -1.146 118.628 120.200 -0.710 0.000 2.437 367 E HA 0.683 5.031 4.350 -0.003 0.000 0.280 367 E C -2.035 174.174 176.600 -0.652 0.000 1.044 367 E CA -0.572 55.457 56.400 -0.619 0.000 0.826 367 E CB 1.834 31.150 29.700 -0.640 0.000 1.358 367 E HN 0.059 nan 8.360 nan 0.000 0.459 368 A N 1.505 124.117 122.820 -0.345 0.000 2.408 368 A HA 0.716 5.034 4.320 -0.003 0.000 0.295 368 A C -1.872 175.739 177.584 0.045 0.000 1.040 368 A CA -0.544 51.362 52.037 -0.218 0.000 0.707 368 A CB 0.847 19.610 19.000 -0.396 0.000 1.235 368 A HN 0.471 nan 8.150 nan 0.000 0.418 369 L N 1.515 122.848 121.223 0.183 0.000 2.279 369 L HA 1.020 5.358 4.340 -0.003 0.000 0.262 369 L C -0.250 176.649 176.870 0.048 0.000 1.019 369 L CA -0.081 54.796 54.840 0.062 0.000 0.823 369 L CB 2.113 44.115 42.059 -0.096 0.000 1.358 369 L HN 1.574 nan 8.230 nan 0.000 0.432 370 A N 3.737 126.529 122.820 -0.046 0.000 2.538 370 A HA 0.549 4.867 4.320 -0.003 0.000 0.293 370 A C -1.384 176.149 177.584 -0.085 0.000 1.065 370 A CA -0.243 51.761 52.037 -0.055 0.000 0.936 370 A CB -0.153 18.938 19.000 0.150 0.000 1.481 370 A HN 0.565 nan 8.150 nan 0.000 0.394 371 I N 2.737 123.175 120.570 -0.221 0.000 2.331 371 I HA 0.410 4.578 4.170 -0.003 0.000 0.292 371 I C -0.717 175.300 176.117 -0.167 0.000 0.998 371 I CA -0.522 60.686 61.300 -0.154 0.000 1.267 371 I CB 0.974 38.861 38.000 -0.188 0.000 1.386 371 I HN 0.614 nan 8.210 nan 0.000 0.476 372 Y N 3.789 124.018 120.300 -0.118 0.000 2.387 372 Y HA 0.653 5.201 4.550 -0.003 0.000 0.330 372 Y C 0.800 176.671 175.900 -0.047 0.000 1.133 372 Y CA -0.641 57.417 58.100 -0.070 0.000 1.152 372 Y CB 1.794 40.184 38.460 -0.116 0.000 1.215 372 Y HN 0.524 nan 8.280 nan 0.000 0.466 373 G N -0.257 108.624 108.800 0.136 0.000 2.432 373 G HA2 0.636 4.595 3.960 -0.003 0.000 0.331 373 G HA3 0.636 4.595 3.960 -0.003 0.000 0.331 373 G C -0.703 174.290 174.900 0.155 0.000 1.170 373 G CA -0.574 44.611 45.100 0.141 0.000 0.943 373 G HN 0.891 nan 8.290 nan 0.000 0.483 374 G N -0.605 108.242 108.800 0.078 0.000 2.682 374 G HA2 0.395 4.353 3.960 -0.003 0.000 0.290 374 G HA3 0.395 4.353 3.960 -0.003 0.000 0.290 374 G C 0.061 174.569 174.900 -0.653 0.000 1.425 374 G CA -0.324 44.680 45.100 -0.160 0.000 0.807 374 G HN 0.582 nan 8.290 nan 0.000 0.482 375 N N -1.166 117.205 118.700 -0.548 0.000 2.436 375 N HA 0.128 4.867 4.740 -0.003 0.000 0.178 375 N C 0.915 176.171 175.510 -0.423 0.000 1.026 375 N CA 0.916 53.561 53.050 -0.674 0.000 0.880 375 N CB 0.540 38.676 38.487 -0.584 0.000 1.061 375 N HN 0.437 nan 8.380 nan 0.000 0.434 376 S N 0.127 115.571 115.700 -0.427 0.000 2.718 376 S HA 0.425 4.894 4.470 -0.003 0.000 0.300 376 S C -1.995 172.165 174.600 -0.733 0.000 1.117 376 S CA -1.236 56.534 58.200 -0.717 0.000 1.002 376 S CB 1.746 64.501 63.200 -0.742 0.000 1.092 376 S HN -0.002 nan 8.310 nan 0.000 0.542 377 P HA -0.125 nan 4.420 nan 0.000 0.216 377 P C 1.225 177.977 177.300 -0.913 0.000 1.150 377 P CA 1.588 64.089 63.100 -0.999 0.000 0.843 377 P CB -0.049 30.633 31.700 -1.695 0.000 0.787 378 A N 0.217 122.564 122.820 -0.789 0.000 1.824 378 A HA -0.082 4.236 4.320 -0.003 0.000 0.215 378 A C 2.350 179.739 177.584 -0.325 0.000 1.209 378 A CA 2.266 54.050 52.037 -0.422 0.000 0.614 378 A CB -1.738 17.153 19.000 -0.182 0.000 0.852 378 A HN 0.160 nan 8.150 nan 0.000 0.447 379 A N -0.715 121.934 122.820 -0.286 0.000 1.882 379 A HA -0.350 3.969 4.320 -0.003 0.000 0.220 379 A C 2.307 179.794 177.584 -0.162 0.000 1.253 379 A CA 2.820 54.726 52.037 -0.218 0.000 0.664 379 A CB -0.933 17.979 19.000 -0.148 0.000 0.838 379 A HN 0.696 nan 8.150 nan 0.000 0.460 380 M N -1.116 118.360 119.600 -0.206 0.000 2.201 380 M HA -0.233 4.245 4.480 -0.003 0.000 0.251 380 M C 0.908 177.155 176.300 -0.090 0.000 1.090 380 M CA 2.380 57.586 55.300 -0.157 0.000 1.063 380 M CB -0.250 32.207 32.600 -0.238 0.000 1.360 380 M HN 0.505 nan 8.290 nan 0.000 0.401 381 T N -1.444 113.038 114.554 -0.119 0.000 3.043 381 T HA 0.126 4.475 4.350 -0.003 0.000 0.272 381 T C 0.241 174.896 174.700 -0.076 0.000 0.990 381 T CA -0.121 61.955 62.100 -0.040 0.000 0.897 381 T CB 0.246 69.135 68.868 0.035 0.000 1.111 381 T HN 0.217 nan 8.240 nan 0.000 0.529 382 T N 3.479 117.925 114.554 -0.181 0.000 2.799 382 T HA 0.336 4.684 4.350 -0.003 0.000 0.296 382 T C 0.283 174.842 174.700 -0.235 0.000 0.947 382 T CA -0.009 61.869 62.100 -0.370 0.000 1.141 382 T CB 0.391 68.821 68.868 -0.730 0.000 0.891 382 T HN 0.036 nan 8.240 nan 0.000 0.533 383 R N 2.665 123.010 120.500 -0.258 0.000 2.644 383 R HA 0.262 4.600 4.340 -0.003 0.000 0.271 383 R C -1.160 175.051 176.300 -0.148 0.000 1.687 383 R CA -0.538 55.464 56.100 -0.163 0.000 1.655 383 R CB -0.003 30.251 30.300 -0.076 0.000 1.285 383 R HN 0.530 nan 8.270 nan 0.000 0.643 384 Y N -0.030 120.260 120.300 -0.017 0.000 2.702 384 Y HA 0.046 4.595 4.550 -0.003 0.000 0.336 384 Y C 1.088 176.953 175.900 -0.058 0.000 1.235 384 Y CA -0.019 58.064 58.100 -0.028 0.000 1.492 384 Y CB 0.723 39.135 38.460 -0.081 0.000 1.308 384 Y HN 0.026 nan 8.280 nan 0.000 0.589 385 V N 4.235 124.273 119.914 0.206 0.000 2.405 385 V HA 0.067 4.185 4.120 -0.003 0.000 0.253 385 V C 0.211 176.399 176.094 0.157 0.000 0.963 385 V CA -0.767 61.620 62.300 0.145 0.000 1.003 385 V CB 0.504 32.437 31.823 0.183 0.000 1.251 385 V HN 0.801 nan 8.190 nan 0.000 0.520 386 D N 2.780 123.199 120.400 0.032 0.000 2.407 386 D HA -0.247 4.391 4.640 -0.003 0.000 0.197 386 D C 2.115 178.446 176.300 0.051 0.000 1.024 386 D CA 1.988 55.931 54.000 -0.095 0.000 0.924 386 D CB 0.015 40.709 40.800 -0.177 0.000 0.888 386 D HN 0.637 nan 8.370 nan 0.000 0.456 387 G N 0.158 108.989 108.800 0.053 0.000 2.509 387 G HA2 -0.058 3.901 3.960 -0.003 0.000 0.218 387 G HA3 -0.058 3.901 3.960 -0.003 0.000 0.218 387 G C 1.644 176.666 174.900 0.203 0.000 1.124 387 G CA 0.750 45.906 45.100 0.094 0.000 0.776 387 G HN 0.432 nan 8.290 nan 0.000 0.547 388 G N -0.069 108.869 108.800 0.231 0.000 2.534 388 G HA2 0.019 3.977 3.960 -0.003 0.000 0.217 388 G HA3 0.019 3.977 3.960 -0.003 0.000 0.217 388 G C 1.296 176.333 174.900 0.227 0.000 1.128 388 G CA 0.394 45.590 45.100 0.160 0.000 0.784 388 G HN 0.362 nan 8.290 nan 0.000 0.542 389 F N 0.245 120.249 119.950 0.090 0.000 2.453 389 F HA 0.404 4.930 4.527 -0.003 0.000 0.284 389 F C 1.529 177.470 175.800 0.235 0.000 1.065 389 F CA 0.322 58.360 58.000 0.063 0.000 1.411 389 F CB 0.031 38.753 39.000 -0.464 0.000 1.131 389 F HN 0.251 nan 8.300 nan 0.000 0.582 390 G N 0.600 109.627 108.800 0.379 0.000 3.445 390 G HA2 -0.134 3.824 3.960 -0.003 0.000 0.686 390 G HA3 -0.134 3.824 3.960 -0.003 0.000 0.686 390 G C 0.045 175.004 174.900 0.098 0.000 1.113 390 G CA -0.459 44.808 45.100 0.277 0.000 0.974 390 G HN -0.003 nan 8.290 nan 0.000 0.492 391 M N 2.328 121.902 119.600 -0.044 0.000 2.319 391 M HA 0.134 4.612 4.480 -0.003 0.000 0.265 391 M C 2.545 178.739 176.300 -0.178 0.000 1.068 391 M CA 2.578 57.799 55.300 -0.131 0.000 1.118 391 M CB -0.393 31.986 32.600 -0.369 0.000 1.395 391 M HN 0.848 nan 8.290 nan 0.000 0.435 392 G N -0.402 108.257 108.800 -0.236 0.000 2.434 392 G HA2 -0.221 3.737 3.960 -0.003 0.000 0.214 392 G HA3 -0.221 3.737 3.960 -0.003 0.000 0.214 392 G C 1.598 176.357 174.900 -0.234 0.000 1.202 392 G CA 0.843 45.658 45.100 -0.476 0.000 0.788 392 G HN 0.424 nan 8.290 nan 0.000 0.539 393 K N -0.538 119.873 120.400 0.018 0.000 2.059 393 K HA -0.176 4.143 4.320 -0.003 0.000 0.212 393 K C 1.590 178.155 176.600 -0.057 0.000 1.050 393 K CA 1.374 57.649 56.287 -0.021 0.000 0.927 393 K CB -0.311 32.199 32.500 0.017 0.000 0.714 393 K HN 0.387 nan 8.250 nan 0.000 0.447 394 Y N 0.927 121.190 120.300 -0.062 0.000 2.496 394 Y HA 0.102 4.651 4.550 -0.003 0.000 0.313 394 Y C 0.100 175.984 175.900 -0.026 0.000 1.184 394 Y CA 0.145 58.238 58.100 -0.012 0.000 1.275 394 Y CB -0.089 38.404 38.460 0.055 0.000 1.103 394 Y HN -0.152 nan 8.280 nan 0.000 0.513 395 T N 1.662 116.217 114.554 0.002 0.000 2.743 395 T HA 0.108 4.457 4.350 -0.003 0.000 0.290 395 T C 0.576 175.258 174.700 -0.031 0.000 0.908 395 T CA -0.279 61.783 62.100 -0.064 0.000 1.092 395 T CB -0.158 68.535 68.868 -0.292 0.000 0.882 395 T HN 0.360 nan 8.240 nan 0.000 0.531 396 T N 3.811 118.370 114.554 0.008 0.000 2.907 396 T HA 0.363 4.712 4.350 -0.003 0.000 0.298 396 T C -2.425 172.279 174.700 0.007 0.000 1.017 396 T CA -1.890 60.220 62.100 0.016 0.000 1.118 396 T CB 0.644 69.529 68.868 0.028 0.000 0.948 396 T HN 0.211 nan 8.240 nan 0.000 0.531 397 P HA 0.142 nan 4.420 nan 0.000 0.266 397 P C -0.352 176.969 177.300 0.034 0.000 1.195 397 P CA -0.334 62.790 63.100 0.039 0.000 0.768 397 P CB 0.517 32.247 31.700 0.050 0.000 0.838 398 L N 2.607 123.872 121.223 0.070 0.000 2.331 398 L HA 0.186 4.525 4.340 -0.003 0.000 0.278 398 L C 1.010 177.909 176.870 0.047 0.000 1.106 398 L CA -0.083 54.812 54.840 0.093 0.000 0.824 398 L CB 0.204 42.383 42.059 0.200 0.000 1.142 398 L HN 0.297 nan 8.230 nan 0.000 0.443 399 T N 3.851 118.399 114.554 -0.010 0.000 2.723 399 T HA 0.205 4.553 4.350 -0.003 0.000 0.297 399 T C 0.284 174.887 174.700 -0.163 0.000 0.925 399 T CA -0.553 61.491 62.100 -0.094 0.000 1.030 399 T CB -0.053 68.766 68.868 -0.082 0.000 0.905 399 T HN 0.424 nan 8.240 nan 0.000 0.502 400 R N 2.509 122.806 120.500 -0.339 0.000 2.446 400 R HA 0.352 4.690 4.340 -0.003 0.000 0.314 400 R C 1.446 177.249 176.300 -0.828 0.000 1.003 400 R CA 0.421 56.192 56.100 -0.548 0.000 1.018 400 R CB -0.180 29.687 30.300 -0.722 0.000 0.945 400 R HN 0.993 nan 8.270 nan 0.000 0.419 401 G N 1.186 109.576 108.800 -0.682 0.000 2.259 401 G HA2 -0.275 3.683 3.960 -0.003 0.000 0.217 401 G HA3 -0.275 3.683 3.960 -0.003 0.000 0.217 401 G C 0.502 175.272 174.900 -0.215 0.000 1.001 401 G CA 0.120 44.827 45.100 -0.654 0.000 0.627 401 G HN 0.433 nan 8.290 nan 0.000 0.501 402 V N 0.390 120.188 119.914 -0.193 0.000 2.950 402 V HA 0.194 4.312 4.120 -0.003 0.000 0.231 402 V C 2.083 178.102 176.094 -0.124 0.000 1.205 402 V CA 1.656 63.882 62.300 -0.123 0.000 1.239 402 V CB -0.056 31.707 31.823 -0.101 0.000 1.050 402 V HN 0.173 nan 8.190 nan 0.000 0.498 403 D N -0.301 120.036 120.400 -0.104 0.000 2.224 403 D HA 0.011 4.650 4.640 -0.003 0.000 0.205 403 D C 0.407 176.646 176.300 -0.102 0.000 0.965 403 D CA 0.970 54.919 54.000 -0.085 0.000 0.852 403 D CB 0.124 40.907 40.800 -0.028 0.000 0.947 403 D HN 0.400 nan 8.370 nan 0.000 0.494 404 c N -0.570 117.961 118.600 -0.115 0.000 3.170 404 c HA 0.325 4.893 4.570 -0.003 0.000 0.319 404 c C -2.510 171.400 174.090 -0.299 0.000 1.260 404 c CA -1.578 54.583 56.329 -0.280 0.000 1.374 404 c CB 1.915 44.264 42.510 -0.268 0.000 1.739 404 c HN -0.020 nan 8.230 nan 0.000 0.479 405 P HA -0.032 nan 4.420 nan 0.000 0.261 405 P C 0.267 177.528 177.300 -0.064 0.000 1.173 405 P CA 0.596 63.506 63.100 -0.316 0.000 0.760 405 P CB 0.145 31.554 31.700 -0.484 0.000 0.783 406 Y N 2.654 122.930 120.300 -0.041 0.000 2.425 406 Y HA -0.163 4.387 4.550 -0.001 0.000 0.285 406 Y C 1.209 177.161 175.900 0.086 0.000 1.170 406 Y CA 1.131 59.248 58.100 0.027 0.000 1.304 406 Y CB -0.034 38.422 38.460 -0.007 0.000 0.972 406 Y HN 0.291 nan 8.280 nan 0.000 0.558 407 L N -0.391 120.970 121.223 0.229 0.000 3.168 407 L HA 0.419 4.757 4.340 -0.003 0.000 0.277 407 L C 0.271 177.313 176.870 0.288 0.000 1.308 407 L CA -0.534 54.443 54.840 0.229 0.000 0.976 407 L CB 0.070 42.193 42.059 0.106 0.000 1.383 407 L HN -0.050 nan 8.230 nan 0.000 0.572 408 A N -0.480 122.536 122.820 0.326 0.000 2.269 408 A HA 0.764 5.083 4.320 -0.003 0.000 0.319 408 A C 0.191 177.990 177.584 0.359 0.000 1.110 408 A CA -0.247 51.975 52.037 0.309 0.000 0.847 408 A CB 0.709 19.658 19.000 -0.085 0.000 1.161 408 A HN 0.154 nan 8.150 nan 0.000 0.497 409 T N 0.934 115.698 114.554 0.351 0.000 2.889 409 T HA 0.515 4.863 4.350 -0.003 0.000 0.291 409 T C -1.299 173.468 174.700 0.112 0.000 0.995 409 T CA 0.702 63.013 62.100 0.352 0.000 1.092 409 T CB 0.024 69.158 68.868 0.444 0.000 0.954 409 T HN 0.344 nan 8.240 nan 0.000 0.506 410 Y N 0.985 121.417 120.300 0.220 0.000 2.391 410 Y HA 0.557 5.105 4.550 -0.003 0.000 0.341 410 Y C -0.111 175.922 175.900 0.221 0.000 0.965 410 Y CA -1.001 57.215 58.100 0.194 0.000 1.067 410 Y CB 1.382 39.924 38.460 0.137 0.000 1.199 410 Y HN 0.302 nan 8.280 nan 0.000 0.450 411 V N 3.235 123.380 119.914 0.384 0.000 2.769 411 V HA 0.404 4.522 4.120 -0.003 0.000 0.312 411 V C -0.352 176.003 176.094 0.435 0.000 1.058 411 V CA -0.979 61.571 62.300 0.416 0.000 0.952 411 V CB 1.898 34.010 31.823 0.482 0.000 1.019 411 V HN 0.668 nan 8.190 nan 0.000 0.445 412 D N 0.706 121.316 120.400 0.351 0.000 2.388 412 D HA 0.345 4.984 4.640 -0.003 0.000 0.254 412 D C -1.123 175.356 176.300 0.298 0.000 1.111 412 D CA -0.122 54.021 54.000 0.238 0.000 0.993 412 D CB 1.867 42.719 40.800 0.087 0.000 1.118 412 D HN 0.583 nan 8.370 nan 0.000 0.502 413 W N 1.763 123.016 121.300 -0.078 0.000 2.687 413 W HA 0.177 4.835 4.660 -0.003 0.000 0.328 413 W C -0.966 175.503 176.519 -0.083 0.000 1.012 413 W CA -0.473 56.860 57.345 -0.020 0.000 1.262 413 W CB 0.495 30.014 29.460 0.097 0.000 1.331 413 W HN 0.239 nan 8.180 nan 0.000 0.433 414 H N 6.446 125.400 119.070 -0.193 0.000 2.580 414 H HA 0.444 4.999 4.556 -0.003 0.000 0.322 414 H C -0.407 174.506 175.328 -0.690 0.000 1.082 414 H CA -0.123 55.710 56.048 -0.358 0.000 1.383 414 H CB 0.748 30.376 29.762 -0.223 0.000 1.450 414 H HN 0.394 nan 8.280 nan 0.000 0.505 415 F N 1.138 120.750 119.950 -0.563 0.000 2.613 415 F HA 0.515 5.040 4.527 -0.003 0.000 0.314 415 F C -1.558 174.040 175.800 -0.336 0.000 1.075 415 F CA -1.471 56.135 58.000 -0.656 0.000 0.945 415 F CB 1.352 39.797 39.000 -0.926 0.000 1.310 415 F HN 0.238 nan 8.300 nan 0.000 0.467 416 L N 3.942 125.103 121.223 -0.104 0.000 2.481 416 L HA 0.613 4.951 4.340 -0.003 0.000 0.255 416 L C -1.950 174.897 176.870 -0.037 0.000 1.192 416 L CA -0.454 54.319 54.840 -0.112 0.000 0.924 416 L CB 0.934 42.920 42.059 -0.122 0.000 1.179 416 L HN 0.705 nan 8.230 nan 0.000 0.491 417 L N 2.848 124.098 121.223 0.045 0.000 2.409 417 L HA 0.546 4.884 4.340 -0.003 0.000 0.272 417 L C -0.062 176.716 176.870 -0.153 0.000 0.980 417 L CA -0.861 53.885 54.840 -0.156 0.000 0.826 417 L CB 1.930 43.867 42.059 -0.204 0.000 1.268 417 L HN 0.379 nan 8.230 nan 0.000 0.407 418 E N 1.568 121.598 120.200 -0.284 0.000 2.273 418 E HA -0.202 4.147 4.350 -0.003 0.000 0.177 418 E C -0.323 176.235 176.600 -0.071 0.000 1.511 418 E CA 0.810 57.131 56.400 -0.132 0.000 0.675 418 E CB -0.577 29.108 29.700 -0.024 0.000 1.094 418 E HN 0.628 nan 8.360 nan 0.000 0.348 419 S N -0.663 114.991 115.700 -0.077 0.000 2.683 419 S HA 0.206 4.674 4.470 -0.003 0.000 0.264 419 S C -0.593 173.965 174.600 -0.070 0.000 1.066 419 S CA -0.462 57.693 58.200 -0.075 0.000 0.846 419 S CB 1.513 64.666 63.200 -0.079 0.000 1.114 419 S HN 0.298 nan 8.310 nan 0.000 0.476 420 Q N -0.293 119.466 119.800 -0.069 0.000 2.140 420 Q HA 0.480 4.818 4.340 -0.003 0.000 0.227 420 Q C -0.319 175.639 176.000 -0.069 0.000 0.798 420 Q CA 0.174 55.944 55.803 -0.054 0.000 0.987 420 Q CB 1.498 30.217 28.738 -0.032 0.000 1.161 420 Q HN 0.678 nan 8.270 nan 0.000 0.480 421 A N 2.254 125.015 122.820 -0.099 0.000 2.356 421 A HA 0.598 4.916 4.320 -0.003 0.000 0.310 421 A C -2.639 174.833 177.584 -0.186 0.000 1.075 421 A CA -1.580 50.387 52.037 -0.117 0.000 0.746 421 A CB 0.790 19.730 19.000 -0.100 0.000 1.221 421 A HN -0.099 nan 8.150 nan 0.000 0.443 422 P HA 0.184 nan 4.420 nan 0.000 0.267 422 P C -0.735 176.330 177.300 -0.391 0.000 1.205 422 P CA 0.405 63.314 63.100 -0.319 0.000 0.765 422 P CB 0.672 32.225 31.700 -0.245 0.000 0.828 423 K N 1.486 121.455 120.400 -0.719 0.000 2.306 423 K HA 0.661 4.979 4.320 -0.003 0.000 0.236 423 K C -0.111 176.085 176.600 -0.673 0.000 1.013 423 K CA -0.708 55.168 56.287 -0.685 0.000 0.857 423 K CB 1.605 33.636 32.500 -0.782 0.000 1.214 423 K HN 0.336 nan 8.250 nan 0.000 0.449 424 T N 0.838 115.258 114.554 -0.225 0.000 2.893 424 T HA 0.485 4.833 4.350 -0.003 0.000 0.291 424 T C -0.390 174.429 174.700 0.199 0.000 1.028 424 T CA -0.687 61.420 62.100 0.011 0.000 0.995 424 T CB 1.019 69.948 68.868 0.101 0.000 1.051 424 T HN 0.334 nan 8.240 nan 0.000 0.470 425 I N 2.655 123.397 120.570 0.286 0.000 2.328 425 I HA 0.362 4.531 4.170 -0.003 0.000 0.287 425 I C 0.503 176.730 176.117 0.184 0.000 1.012 425 I CA -0.747 60.716 61.300 0.272 0.000 1.195 425 I CB 1.098 39.295 38.000 0.329 0.000 1.350 425 I HN 0.329 nan 8.210 nan 0.000 0.464 426 R N 4.506 125.089 120.500 0.138 0.000 2.438 426 R HA 0.193 4.532 4.340 -0.003 0.000 0.287 426 R C -0.393 175.987 176.300 0.134 0.000 1.077 426 R CA -0.259 55.917 56.100 0.127 0.000 1.034 426 R CB 0.278 30.634 30.300 0.094 0.000 0.993 426 R HN 0.632 nan 8.270 nan 0.000 0.459 427 D N 1.076 121.588 120.400 0.187 0.000 2.746 427 D HA -0.233 4.405 4.640 -0.003 0.000 0.236 427 D C 0.673 177.068 176.300 0.159 0.000 1.129 427 D CA 0.892 55.044 54.000 0.254 0.000 0.691 427 D CB -0.924 40.011 40.800 0.224 0.000 1.077 427 D HN 0.708 nan 8.370 nan 0.000 0.432 428 A N -0.878 121.986 122.820 0.072 0.000 1.902 428 A HA 0.164 4.483 4.320 -0.003 0.000 0.217 428 A C 0.669 177.995 177.584 -0.431 0.000 1.181 428 A CA 1.011 52.904 52.037 -0.239 0.000 0.623 428 A CB -0.004 18.757 19.000 -0.399 0.000 0.818 428 A HN 0.317 nan 8.150 nan 0.000 0.443 429 F N -2.046 117.920 119.950 0.026 0.000 2.579 429 F HA 0.567 5.092 4.527 -0.003 0.000 0.324 429 F C 0.130 175.869 175.800 -0.101 0.000 1.058 429 F CA -1.207 56.736 58.000 -0.095 0.000 0.944 429 F CB 1.477 40.306 39.000 -0.284 0.000 1.245 429 F HN 0.240 nan 8.300 nan 0.000 0.477 430 c N 0.553 119.165 118.600 0.021 0.000 2.701 430 c HA 0.919 5.487 4.570 -0.003 0.000 0.336 430 c C -1.370 172.674 174.090 -0.077 0.000 1.123 430 c CA -0.827 55.393 56.329 -0.182 0.000 1.326 430 c CB 0.500 42.718 42.510 -0.487 0.000 1.833 430 c HN 0.688 nan 8.230 nan 0.000 0.473 431 V N 4.695 124.574 119.914 -0.058 0.000 2.555 431 V HA 0.928 5.046 4.120 -0.003 0.000 0.302 431 V C -0.176 175.866 176.094 -0.087 0.000 1.038 431 V CA -0.072 62.116 62.300 -0.185 0.000 0.887 431 V CB 1.394 33.088 31.823 -0.215 0.000 0.991 431 V HN 1.077 nan 8.190 nan 0.000 0.434 432 F N 1.077 120.802 119.950 -0.376 0.000 2.817 432 F HA 0.688 5.214 4.527 -0.002 0.000 0.317 432 F C -0.968 174.762 175.800 -0.116 0.000 1.168 432 F CA -1.148 56.775 58.000 -0.129 0.000 0.911 432 F CB 1.498 40.555 39.000 0.095 0.000 1.337 432 F HN 0.359 nan 8.300 nan 0.000 0.464 433 E N 1.002 121.476 120.200 0.456 0.000 2.158 433 E HA 0.381 4.730 4.350 -0.003 0.000 0.271 433 E C -1.583 175.293 176.600 0.460 0.000 0.911 433 E CA -0.943 55.659 56.400 0.336 0.000 0.767 433 E CB 2.030 32.014 29.700 0.474 0.000 1.120 433 E HN 0.519 nan 8.360 nan 0.000 0.405 434 Q N 3.006 122.970 119.800 0.274 0.000 2.341 434 Q HA 0.173 4.511 4.340 -0.003 0.000 0.268 434 Q C -1.112 174.980 176.000 0.154 0.000 1.013 434 Q CA -0.609 55.355 55.803 0.270 0.000 0.798 434 Q CB 0.941 29.887 28.738 0.347 0.000 1.253 434 Q HN 0.324 nan 8.270 nan 0.000 0.457 435 N N 3.544 122.320 118.700 0.127 0.000 2.402 435 N HA 0.004 4.742 4.740 -0.003 0.000 0.252 435 N C 0.255 175.813 175.510 0.080 0.000 1.118 435 N CA 0.172 53.278 53.050 0.094 0.000 0.945 435 N CB 0.918 39.443 38.487 0.064 0.000 1.147 435 N HN 0.664 nan 8.380 nan 0.000 0.495 436 Q N 2.888 122.739 119.800 0.085 0.000 2.234 436 Q HA -0.091 4.248 4.340 -0.003 0.000 0.206 436 Q C 1.205 177.242 176.000 0.062 0.000 0.980 436 Q CA 1.411 57.261 55.803 0.078 0.000 0.869 436 Q CB -0.065 28.729 28.738 0.093 0.000 0.912 436 Q HN 0.926 nan 8.270 nan 0.000 0.436 437 G N 0.284 109.120 108.800 0.059 0.000 2.268 437 G HA2 -0.272 3.686 3.960 -0.003 0.000 0.240 437 G HA3 -0.272 3.686 3.960 -0.003 0.000 0.240 437 G C -0.065 174.865 174.900 0.051 0.000 1.010 437 G CA 0.299 45.428 45.100 0.047 0.000 0.618 437 G HN 0.321 nan 8.290 nan 0.000 0.516 438 L N 3.319 124.577 121.223 0.059 0.000 2.343 438 L HA 0.784 5.122 4.340 -0.003 0.000 0.275 438 L C -1.874 175.040 176.870 0.074 0.000 1.056 438 L CA -2.276 52.600 54.840 0.060 0.000 0.804 438 L CB 1.166 43.258 42.059 0.055 0.000 1.203 438 L HN 0.049 nan 8.230 nan 0.000 0.440 439 P HA 0.096 nan 4.420 nan 0.000 0.282 439 P C 0.152 177.499 177.300 0.078 0.000 1.249 439 P CA -0.543 62.613 63.100 0.092 0.000 0.806 439 P CB 1.671 33.440 31.700 0.114 0.000 0.984 440 L N 3.020 124.291 121.223 0.081 0.000 2.007 440 L HA 0.021 4.359 4.340 -0.003 0.000 0.205 440 L C 1.071 177.965 176.870 0.041 0.000 1.073 440 L CA 1.902 56.782 54.840 0.066 0.000 0.744 440 L CB -0.639 41.468 42.059 0.080 0.000 0.898 440 L HN 0.521 nan 8.230 nan 0.000 0.435 441 R N -0.660 119.867 120.500 0.045 0.000 2.837 441 R HA 0.734 5.073 4.340 -0.003 0.000 0.271 441 R C -0.848 175.478 176.300 0.043 0.000 0.993 441 R CA -0.901 55.216 56.100 0.029 0.000 0.931 441 R CB 1.251 31.556 30.300 0.009 0.000 1.206 441 R HN 0.031 nan 8.270 nan 0.000 0.474 442 R N 1.582 122.112 120.500 0.049 0.000 2.736 442 R HA 0.208 4.546 4.340 -0.003 0.000 0.250 442 R C -2.193 174.195 176.300 0.146 0.000 1.098 442 R CA -0.704 55.443 56.100 0.079 0.000 0.978 442 R CB 1.633 32.049 30.300 0.193 0.000 1.263 442 R HN 0.974 nan 8.270 nan 0.000 0.460 443 H N 2.108 121.137 119.070 -0.069 0.000 3.149 443 H HA 0.320 4.874 4.556 -0.003 0.000 0.334 443 H C -1.798 173.557 175.328 0.046 0.000 1.000 443 H CA -0.322 55.728 56.048 0.003 0.000 1.415 443 H CB 0.712 30.464 29.762 -0.017 0.000 1.819 443 H HN 0.676 nan 8.280 nan 0.000 0.486 444 H N 3.067 121.941 119.070 -0.327 0.000 2.556 444 H HA 0.483 5.038 4.556 -0.003 0.000 0.310 444 H C -0.686 174.224 175.328 -0.697 0.000 1.057 444 H CA -0.052 55.847 56.048 -0.247 0.000 1.264 444 H CB 0.906 30.633 29.762 -0.058 0.000 1.404 444 H HN 0.444 nan 8.280 nan 0.000 0.462 445 S N 3.213 118.310 115.700 -1.005 0.000 2.437 445 S HA 0.206 4.675 4.470 -0.003 0.000 0.305 445 S C -0.145 174.000 174.600 -0.760 0.000 1.109 445 S CA -0.694 56.938 58.200 -0.946 0.000 1.099 445 S CB 0.564 62.869 63.200 -1.491 0.000 1.004 445 S HN 0.808 nan 8.310 nan 0.000 0.475 446 D N 2.867 122.904 120.400 -0.604 0.000 2.500 446 D HA 0.124 4.763 4.640 -0.003 0.000 0.218 446 D C -0.281 175.636 176.300 -0.638 0.000 1.140 446 D CA -0.087 53.370 54.000 -0.905 0.000 0.830 446 D CB 0.425 40.940 40.800 -0.474 0.000 1.055 446 D HN 0.388 nan 8.370 nan 0.000 0.512 447 L N 0.976 121.973 121.223 -0.376 0.000 2.260 447 L HA 0.181 4.519 4.340 -0.003 0.000 0.289 447 L C 0.377 177.179 176.870 -0.113 0.000 1.057 447 L CA 0.114 54.768 54.840 -0.310 0.000 0.811 447 L CB -0.131 41.700 42.059 -0.379 0.000 1.184 447 L HN 0.165 nan 8.230 nan 0.000 0.429 448 Y N 1.191 121.528 120.300 0.062 0.000 2.884 448 Y HA -0.378 4.170 4.550 -0.003 0.000 0.483 448 Y C 0.858 176.856 175.900 0.163 0.000 1.209 448 Y CA 1.136 59.299 58.100 0.104 0.000 2.681 448 Y CB -1.277 37.236 38.460 0.088 0.000 0.894 448 Y HN 0.690 nan 8.280 nan 0.000 0.529 449 S N 0.239 116.152 115.700 0.355 0.000 2.706 449 S HA 0.334 4.803 4.470 -0.003 0.000 0.270 449 S C -1.079 173.724 174.600 0.338 0.000 1.163 449 S CA -0.630 57.800 58.200 0.382 0.000 1.042 449 S CB 0.541 63.988 63.200 0.411 0.000 1.079 449 S HN 0.275 nan 8.310 nan 0.000 0.474 450 H N 4.531 123.669 119.070 0.113 0.000 2.819 450 H HA 0.411 4.965 4.556 -0.003 0.000 0.303 450 H C -0.544 174.822 175.328 0.064 0.000 1.058 450 H CA 0.297 56.330 56.048 -0.025 0.000 1.471 450 H CB 0.398 30.159 29.762 -0.002 0.000 1.480 450 H HN 0.719 nan 8.280 nan 0.000 0.517 451 Y N 1.702 121.978 120.300 -0.040 0.000 2.732 451 Y HA 0.425 4.973 4.550 -0.003 0.000 0.342 451 Y C -2.350 173.372 175.900 -0.298 0.000 1.203 451 Y CA -1.674 56.344 58.100 -0.136 0.000 1.092 451 Y CB 1.035 39.470 38.460 -0.042 0.000 1.345 451 Y HN 0.403 nan 8.280 nan 0.000 0.458 452 F N 1.146 120.800 119.950 -0.493 0.000 2.574 452 F HA 0.888 5.414 4.527 -0.003 0.000 0.313 452 F C -0.818 174.697 175.800 -0.474 0.000 1.130 452 F CA -0.695 56.921 58.000 -0.640 0.000 0.936 452 F CB 2.314 40.700 39.000 -1.024 0.000 1.219 452 F HN 1.008 nan 8.300 nan 0.000 0.445 453 G N 2.460 110.545 108.800 -1.192 0.000 2.719 453 G HA2 0.655 4.614 3.960 -0.003 0.000 0.298 453 G HA3 0.655 4.614 3.960 -0.003 0.000 0.298 453 G C -1.188 173.204 174.900 -0.846 0.000 1.433 453 G CA -0.380 44.336 45.100 -0.639 0.000 1.034 453 G HN 1.225 nan 8.290 nan 0.000 0.517 454 G N -0.736 107.768 108.800 -0.494 0.000 2.488 454 G HA2 0.688 4.646 3.960 -0.003 0.000 0.301 454 G HA3 0.688 4.646 3.960 -0.003 0.000 0.301 454 G C -2.313 172.588 174.900 0.002 0.000 1.339 454 G CA -0.637 44.339 45.100 -0.207 0.000 0.803 454 G HN 1.515 nan 8.290 nan 0.000 0.482 455 L N 0.059 121.320 121.223 0.064 0.000 2.580 455 L HA 0.799 5.137 4.340 -0.003 0.000 0.266 455 L C 0.065 176.998 176.870 0.105 0.000 0.955 455 L CA -0.452 54.439 54.840 0.084 0.000 0.886 455 L CB 1.322 43.414 42.059 0.056 0.000 1.263 455 L HN 1.386 nan 8.230 nan 0.000 0.406 456 A N 3.775 126.665 122.820 0.117 0.000 2.450 456 A HA 0.426 4.745 4.320 -0.003 0.000 0.255 456 A C 0.101 177.748 177.584 0.105 0.000 1.096 456 A CA -0.183 51.920 52.037 0.110 0.000 0.778 456 A CB 0.097 19.159 19.000 0.104 0.000 1.031 456 A HN 0.780 nan 8.150 nan 0.000 0.494 457 E N 2.099 122.363 120.200 0.107 0.000 2.259 457 E HA 0.336 4.684 4.350 -0.003 0.000 0.281 457 E C -0.848 175.823 176.600 0.119 0.000 1.037 457 E CA -0.091 56.382 56.400 0.122 0.000 0.854 457 E CB 0.548 30.332 29.700 0.139 0.000 1.051 457 E HN 0.518 nan 8.360 nan 0.000 0.409 458 T N 4.401 119.031 114.554 0.126 0.000 2.809 458 T HA 0.365 4.714 4.350 -0.003 0.000 0.284 458 T C -0.372 174.393 174.700 0.108 0.000 0.992 458 T CA -0.696 61.476 62.100 0.120 0.000 0.957 458 T CB 1.120 70.068 68.868 0.133 0.000 0.942 458 T HN 0.425 nan 8.240 nan 0.000 0.439 459 V N 1.768 121.710 119.914 0.048 0.000 3.193 459 V HA 0.856 4.974 4.120 -0.003 0.000 0.320 459 V C -0.706 175.333 176.094 -0.092 0.000 1.112 459 V CA -1.226 61.035 62.300 -0.065 0.000 1.026 459 V CB 1.566 33.235 31.823 -0.258 0.000 1.128 459 V HN 0.650 nan 8.190 nan 0.000 0.452 460 L N 1.766 122.891 121.223 -0.164 0.000 2.342 460 L HA 0.751 5.089 4.340 -0.003 0.000 0.276 460 L C -0.620 176.048 176.870 -0.337 0.000 0.997 460 L CA -0.034 54.665 54.840 -0.234 0.000 0.838 460 L CB 1.329 43.332 42.059 -0.093 0.000 1.224 460 L HN 0.641 nan 8.230 nan 0.000 0.416 461 V N 5.273 124.782 119.914 -0.674 0.000 2.630 461 V HA 0.623 4.741 4.120 -0.003 0.000 0.305 461 V C -0.553 175.170 176.094 -0.618 0.000 1.046 461 V CA -0.695 61.180 62.300 -0.709 0.000 0.934 461 V CB 2.109 33.318 31.823 -1.023 0.000 1.003 461 V HN 0.454 nan 8.190 nan 0.000 0.451 462 V N 4.867 124.576 119.914 -0.342 0.000 2.409 462 V HA 0.534 4.652 4.120 -0.003 0.000 0.290 462 V C -0.107 175.907 176.094 -0.133 0.000 1.017 462 V CA -0.580 61.577 62.300 -0.238 0.000 0.841 462 V CB 1.516 33.220 31.823 -0.200 0.000 1.003 462 V HN 0.880 nan 8.190 nan 0.000 0.426 463 R N 2.801 123.272 120.500 -0.048 0.000 2.832 463 R HA 0.866 5.204 4.340 -0.003 0.000 0.271 463 R C -0.754 175.588 176.300 0.071 0.000 0.996 463 R CA -0.257 55.865 56.100 0.037 0.000 0.977 463 R CB 2.031 32.378 30.300 0.077 0.000 1.168 463 R HN 0.704 nan 8.270 nan 0.000 0.482 464 S N 2.486 118.241 115.700 0.092 0.000 2.543 464 S HA 0.498 4.966 4.470 -0.003 0.000 0.274 464 S C -1.519 173.164 174.600 0.137 0.000 1.149 464 S CA -0.788 57.431 58.200 0.032 0.000 0.866 464 S CB 1.272 64.445 63.200 -0.045 0.000 1.111 464 S HN 0.562 nan 8.310 nan 0.000 0.457 465 M N 2.926 122.564 119.600 0.064 0.000 2.326 465 M HA 0.429 4.907 4.480 -0.003 0.000 0.306 465 M C -0.746 175.646 176.300 0.154 0.000 1.054 465 M CA -0.638 54.720 55.300 0.098 0.000 0.922 465 M CB 2.234 34.833 32.600 -0.002 0.000 1.632 465 M HN 0.585 nan 8.290 nan 0.000 0.436 466 S N 1.650 117.542 115.700 0.320 0.000 2.498 466 S HA 0.467 4.935 4.470 -0.003 0.000 0.324 466 S C -0.599 174.177 174.600 0.293 0.000 1.071 466 S CA -0.446 57.960 58.200 0.343 0.000 1.113 466 S CB 0.641 64.167 63.200 0.543 0.000 0.976 466 S HN 0.667 nan 8.310 nan 0.000 0.462 467 T N 6.995 121.667 114.554 0.196 0.000 3.145 467 T HA 0.332 4.680 4.350 -0.003 0.000 0.348 467 T C -0.188 174.627 174.700 0.191 0.000 1.299 467 T CA -0.284 61.892 62.100 0.128 0.000 1.037 467 T CB -0.347 68.565 68.868 0.074 0.000 1.122 467 T HN 0.565 nan 8.240 nan 0.000 0.600 468 L N 5.411 126.695 121.223 0.102 0.000 2.312 468 L HA 0.356 4.695 4.340 -0.003 0.000 0.287 468 L C 1.094 177.882 176.870 -0.137 0.000 1.091 468 L CA -0.172 54.632 54.840 -0.059 0.000 0.846 468 L CB -0.170 41.731 42.059 -0.264 0.000 1.219 468 L HN 0.635 nan 8.230 nan 0.000 0.439 469 L N 0.498 121.741 121.223 0.034 0.000 4.565 469 L HA -0.406 3.933 4.340 -0.003 0.000 0.053 469 L C 0.943 177.776 176.870 -0.062 0.000 3.654 469 L CA 1.699 56.569 54.840 0.050 0.000 1.224 469 L CB -0.988 41.016 42.059 -0.092 0.000 3.186 469 L HN 0.960 nan 8.230 nan 0.000 0.916 473 Y N 0.395 120.613 120.300 -0.135 0.000 2.310 473 Y HA 0.565 5.113 4.550 -0.003 0.000 0.326 473 Y C 0.263 175.795 175.900 -0.614 0.000 1.151 473 Y CA -0.770 57.100 58.100 -0.384 0.000 1.195 473 Y CB 1.433 39.652 38.460 -0.402 0.000 1.210 473 Y HN 0.149 nan 8.280 nan 0.000 0.483 474 V N 2.771 122.379 119.914 -0.511 0.000 2.304 474 V HA 0.140 4.259 4.120 -0.003 0.000 0.278 474 V C -1.290 174.582 176.094 -0.371 0.000 1.018 474 V CA -1.211 60.867 62.300 -0.371 0.000 0.814 474 V CB -0.009 31.677 31.823 -0.228 0.000 1.021 474 V HN 0.692 nan 8.190 nan 0.000 0.440 475 W N 2.730 124.117 121.300 0.145 0.000 2.318 475 W HA 0.511 5.169 4.660 -0.003 0.000 0.362 475 W C 0.002 176.532 176.519 0.018 0.000 0.978 475 W CA -0.500 56.907 57.345 0.104 0.000 1.509 475 W CB 0.360 29.839 29.460 0.031 0.000 1.437 475 W HN 0.426 nan 8.180 nan 0.000 0.361 476 D N 1.718 122.211 120.400 0.155 0.000 2.232 476 D HA 0.332 4.970 4.640 -0.003 0.000 0.242 476 D C -0.316 175.885 176.300 -0.165 0.000 1.093 476 D CA -0.037 53.962 54.000 -0.002 0.000 0.845 476 D CB 1.338 42.157 40.800 0.031 0.000 1.124 476 D HN 0.007 nan 8.370 nan 0.000 0.467 477 T N 2.148 116.552 114.554 -0.249 0.000 2.912 477 T HA 0.323 4.671 4.350 -0.003 0.000 0.326 477 T C -0.262 174.103 174.700 -0.558 0.000 1.080 477 T CA -0.614 61.213 62.100 -0.456 0.000 1.000 477 T CB 0.720 69.336 68.868 -0.419 0.000 1.008 477 T HN -0.010 nan 8.240 nan 0.000 0.473 478 V N 4.145 123.671 119.914 -0.648 0.000 2.432 478 V HA 0.461 4.579 4.120 -0.003 0.000 0.275 478 V C -0.491 175.033 176.094 -0.950 0.000 1.043 478 V CA -0.719 61.198 62.300 -0.638 0.000 0.925 478 V CB 0.344 31.893 31.823 -0.456 0.000 0.985 478 V HN 0.749 nan 8.190 nan 0.000 0.466 479 F N 3.998 123.531 119.950 -0.694 0.000 2.332 479 F HA 0.451 4.976 4.527 -0.003 0.000 0.368 479 F C 0.845 176.324 175.800 -0.535 0.000 1.110 479 F CA -0.431 57.023 58.000 -0.909 0.000 1.087 479 F CB 0.524 38.740 39.000 -1.306 0.000 1.235 479 F HN 0.503 nan 8.300 nan 0.000 0.470 480 H N 4.791 123.861 119.070 -0.000 0.000 2.562 480 H HA 0.119 4.673 4.556 -0.003 0.000 0.352 480 H C -1.528 174.071 175.328 0.452 0.000 1.125 480 H CA -1.438 54.738 56.048 0.213 0.000 1.379 480 H CB 1.331 31.164 29.762 0.117 0.000 1.464 480 H HN 0.333 nan 8.280 nan 0.000 0.563 481 P HA -0.142 nan 4.420 nan 0.000 0.222 481 P C 1.187 178.638 177.300 0.253 0.000 1.147 481 P CA 1.191 64.515 63.100 0.373 0.000 0.790 481 P CB 0.185 32.041 31.700 0.260 0.000 0.780 482 S N -1.442 114.366 115.700 0.180 0.000 2.607 482 S HA 0.222 4.691 4.470 -0.003 0.000 0.224 482 S C 1.663 176.165 174.600 -0.162 0.000 0.969 482 S CA 0.581 58.794 58.200 0.023 0.000 0.927 482 S CB -1.405 61.802 63.200 0.011 0.000 0.772 482 S HN 0.322 nan 8.310 nan 0.000 0.533 483 G N 0.288 108.886 108.800 -0.337 0.000 2.179 483 G HA2 -0.120 3.838 3.960 -0.003 0.000 0.260 483 G HA3 -0.120 3.838 3.960 -0.003 0.000 0.260 483 G C 0.202 175.209 174.900 0.177 0.000 0.977 483 G CA -0.034 44.568 45.100 -0.830 0.000 0.641 483 G HN 1.332 nan 8.290 nan 0.000 0.533 484 A N -0.138 122.832 122.820 0.251 0.000 2.310 484 A HA 0.805 5.123 4.320 -0.003 0.000 0.299 484 A C 0.184 177.915 177.584 0.246 0.000 1.147 484 A CA -0.317 51.882 52.037 0.270 0.000 0.818 484 A CB 0.636 19.690 19.000 0.089 0.000 1.096 484 A HN 0.724 nan 8.150 nan 0.000 0.495 485 I N 1.331 121.970 120.570 0.115 0.000 2.433 485 I HA 0.353 4.521 4.170 -0.003 0.000 0.292 485 I C 0.056 176.025 176.117 -0.248 0.000 1.001 485 I CA -0.232 60.901 61.300 -0.278 0.000 1.119 485 I CB 1.813 39.549 38.000 -0.440 0.000 1.289 485 I HN 0.837 nan 8.210 nan 0.000 0.438 486 E N 6.875 126.809 120.200 -0.443 0.000 2.183 486 E HA 0.538 4.886 4.350 -0.003 0.000 0.271 486 E C -1.503 174.595 176.600 -0.837 0.000 0.919 486 E CA -0.681 55.291 56.400 -0.713 0.000 0.781 486 E CB 1.775 31.163 29.700 -0.520 0.000 1.140 486 E HN 0.367 nan 8.360 nan 0.000 0.402 487 I N 4.568 124.491 120.570 -1.078 0.000 2.447 487 I HA 0.458 4.627 4.170 -0.003 0.000 0.287 487 I C -0.301 175.269 176.117 -0.912 0.000 1.023 487 I CA -0.689 59.965 61.300 -1.076 0.000 1.083 487 I CB 1.114 38.077 38.000 -1.727 0.000 1.245 487 I HN 0.570 nan 8.210 nan 0.000 0.434 488 R N 5.669 125.855 120.500 -0.524 0.000 2.808 488 R HA 0.673 5.011 4.340 -0.003 0.000 0.272 488 R C -1.308 174.938 176.300 -0.090 0.000 0.995 488 R CA -0.777 55.083 56.100 -0.400 0.000 0.917 488 R CB 3.239 33.303 30.300 -0.393 0.000 1.217 488 R HN 0.529 nan 8.270 nan 0.000 0.471 489 F N 0.237 119.985 119.950 -0.338 0.000 2.608 489 F HA 0.631 5.156 4.527 -0.003 0.000 0.309 489 F C -2.021 173.553 175.800 -0.376 0.000 1.103 489 F CA -1.050 56.817 58.000 -0.221 0.000 0.954 489 F CB 1.267 40.242 39.000 -0.042 0.000 1.267 489 F HN 0.348 nan 8.300 nan 0.000 0.444 490 Y N 2.665 122.663 120.300 -0.504 0.000 2.485 490 Y HA 0.791 5.340 4.550 -0.002 0.000 0.345 490 Y C -0.241 175.425 175.900 -0.390 0.000 0.998 490 Y CA -1.636 56.127 58.100 -0.562 0.000 1.059 490 Y CB 2.114 40.340 38.460 -0.390 0.000 1.234 490 Y HN 0.967 nan 8.280 nan 0.000 0.461 491 A N 1.830 124.499 122.820 -0.252 0.000 2.256 491 A HA 0.689 5.007 4.320 -0.003 0.000 0.317 491 A C -0.131 177.294 177.584 -0.265 0.000 1.318 491 A CA -0.352 51.501 52.037 -0.307 0.000 0.894 491 A CB 0.754 19.488 19.000 -0.442 0.000 1.165 491 A HN 0.717 nan 8.150 nan 0.000 0.525 492 T N 1.094 115.478 114.554 -0.283 0.000 2.804 492 T HA 0.817 5.165 4.350 -0.003 0.000 0.290 492 T C 0.496 175.034 174.700 -0.270 0.000 1.099 492 T CA 1.048 63.005 62.100 -0.240 0.000 1.011 492 T CB 1.153 69.887 68.868 -0.222 0.000 1.291 492 T HN 2.549 nan 8.240 nan 0.000 0.523 493 G N 0.509 109.138 108.800 -0.286 0.000 2.513 493 G HA2 -0.126 3.833 3.960 -0.003 0.000 0.227 493 G HA3 -0.126 3.833 3.960 -0.003 0.000 0.227 493 G C -1.253 173.379 174.900 -0.448 0.000 1.176 493 G CA -0.179 44.702 45.100 -0.366 0.000 0.967 493 G HN 0.853 nan 8.290 nan 0.000 0.587 494 Y N 1.297 121.369 120.300 -0.380 0.000 2.323 494 Y HA 0.588 5.136 4.550 -0.003 0.000 0.331 494 Y C 1.447 177.107 175.900 -0.400 0.000 1.092 494 Y CA -0.238 57.599 58.100 -0.439 0.000 1.150 494 Y CB 1.009 39.007 38.460 -0.770 0.000 1.200 494 Y HN 0.658 nan 8.280 nan 0.000 0.472 495 I N -0.824 119.720 120.570 -0.043 0.000 2.797 495 I HA 0.515 4.683 4.170 -0.003 0.000 0.310 495 I C -0.253 175.837 176.117 -0.045 0.000 0.990 495 I CA -0.725 60.554 61.300 -0.036 0.000 1.228 495 I CB 1.217 39.224 38.000 0.013 0.000 1.406 495 I HN 0.328 nan 8.210 nan 0.000 0.534 496 S N 2.472 118.164 115.700 -0.013 0.000 2.452 496 S HA 0.413 4.881 4.470 -0.003 0.000 0.284 496 S C -0.027 174.629 174.600 0.094 0.000 1.171 496 S CA -0.705 57.519 58.200 0.040 0.000 1.064 496 S CB 0.686 63.863 63.200 -0.039 0.000 0.967 496 S HN 0.803 nan 8.310 nan 0.000 0.484 497 S N 2.206 117.992 115.700 0.143 0.000 2.607 497 S HA 0.936 5.404 4.470 -0.003 0.000 0.303 497 S C -0.322 174.368 174.600 0.150 0.000 1.086 497 S CA -0.856 57.413 58.200 0.116 0.000 0.995 497 S CB 1.809 65.058 63.200 0.082 0.000 1.084 497 S HN 0.822 nan 8.310 nan 0.000 0.507 498 A N 1.102 123.930 122.820 0.014 0.000 2.437 498 A HA 0.801 5.119 4.320 -0.003 0.000 0.288 498 A C -0.936 176.554 177.584 -0.157 0.000 1.201 498 A CA -0.849 51.084 52.037 -0.174 0.000 0.795 498 A CB 0.562 19.419 19.000 -0.238 0.000 1.359 498 A HN 0.965 nan 8.150 nan 0.000 0.435 499 F N 0.424 120.107 119.950 -0.446 0.000 2.484 499 F HA 0.467 4.992 4.527 -0.003 0.000 0.360 499 F C -0.089 175.731 175.800 0.034 0.000 1.101 499 F CA -0.788 57.138 58.000 -0.123 0.000 1.251 499 F CB 0.713 39.652 39.000 -0.102 0.000 1.132 499 F HN 0.350 nan 8.300 nan 0.000 0.570 500 L N 9.334 130.017 121.223 -0.899 0.000 2.278 500 L HA 0.429 4.767 4.340 -0.003 0.000 0.287 500 L C -1.255 175.112 176.870 -0.839 0.000 1.072 500 L CA -0.427 53.988 54.840 -0.707 0.000 0.819 500 L CB -0.361 41.462 42.059 -0.394 0.000 1.176 500 L HN 0.504 nan 8.230 nan 0.000 0.435 501 F N 3.220 122.904 119.950 -0.444 0.000 2.615 501 F HA 0.864 5.389 4.527 -0.003 0.000 0.312 501 F C 0.107 175.876 175.800 -0.052 0.000 1.119 501 F CA -0.240 57.652 58.000 -0.180 0.000 0.979 501 F CB 0.857 39.889 39.000 0.053 0.000 1.266 501 F HN 0.917 nan 8.300 nan 0.000 0.444 502 G N 0.957 109.788 108.800 0.050 0.000 2.728 502 G HA2 0.392 4.350 3.960 -0.003 0.000 0.294 502 G HA3 0.392 4.350 3.960 -0.003 0.000 0.294 502 G C -0.558 174.308 174.900 -0.058 0.000 1.342 502 G CA -0.432 44.672 45.100 0.006 0.000 0.866 502 G HN 2.047 nan 8.290 nan 0.000 0.534 503 A N -0.073 122.735 122.820 -0.019 0.000 2.476 503 A HA 0.574 4.892 4.320 -0.003 0.000 0.275 503 A C 1.005 178.567 177.584 -0.037 0.000 1.133 503 A CA 1.217 53.244 52.037 -0.017 0.000 0.797 503 A CB -0.133 18.872 19.000 0.007 0.000 1.081 503 A HN 1.571 nan 8.150 nan 0.000 0.510 504 T N 3.710 118.233 114.554 -0.052 0.000 3.474 504 T HA 0.362 4.711 4.350 -0.003 0.000 0.270 504 T C 1.357 176.028 174.700 -0.049 0.000 1.079 504 T CA 0.759 62.826 62.100 -0.055 0.000 1.110 504 T CB 0.105 68.934 68.868 -0.065 0.000 1.087 504 T HN 0.852 nan 8.240 nan 0.000 0.784 505 G N 2.512 111.280 108.800 -0.054 0.000 2.478 505 G HA2 0.105 4.063 3.960 -0.003 0.000 0.211 505 G HA3 0.105 4.063 3.960 -0.003 0.000 0.211 505 G C 0.722 175.504 174.900 -0.197 0.000 1.726 505 G CA -0.623 44.416 45.100 -0.101 0.000 0.725 505 G HN 0.563 nan 8.290 nan 0.000 0.654 506 K N 0.306 120.474 120.400 -0.387 0.000 2.708 506 K HA 0.352 4.670 4.320 -0.003 0.000 0.219 506 K C -0.312 175.628 176.600 -1.100 0.000 1.068 506 K CA -0.051 55.822 56.287 -0.690 0.000 1.212 506 K CB 0.037 32.095 32.500 -0.736 0.000 0.978 506 K HN 0.483 nan 8.250 nan 0.000 0.475 507 Y N -0.374 119.874 120.300 -0.087 0.000 2.648 507 Y HA 0.264 4.812 4.550 -0.003 0.000 0.270 507 Y C 0.878 176.727 175.900 -0.086 0.000 1.043 507 Y CA -0.322 57.724 58.100 -0.091 0.000 1.238 507 Y CB 1.925 40.314 38.460 -0.119 0.000 1.385 507 Y HN 0.340 nan 8.280 nan 0.000 0.569 508 G N 0.065 108.859 108.800 -0.011 0.000 2.350 508 G HA2 0.099 4.057 3.960 -0.003 0.000 0.276 508 G HA3 0.099 4.057 3.960 -0.003 0.000 0.276 508 G C -1.842 173.041 174.900 -0.029 0.000 1.313 508 G CA -1.062 44.026 45.100 -0.021 0.000 0.903 508 G HN -0.073 nan 8.290 nan 0.000 0.490 509 N N 0.014 118.702 118.700 -0.020 0.000 2.328 509 N HA 0.431 5.169 4.740 -0.003 0.000 0.299 509 N C -0.815 174.681 175.510 -0.024 0.000 1.179 509 N CA -0.635 52.406 53.050 -0.016 0.000 0.793 509 N CB 2.299 40.795 38.487 0.015 0.000 1.366 509 N HN 0.744 nan 8.380 nan 0.000 0.493 510 Q N 0.976 120.758 119.800 -0.030 0.000 2.295 510 Q HA 0.249 4.587 4.340 -0.003 0.000 0.259 510 Q C 0.604 176.595 176.000 -0.014 0.000 0.976 510 Q CA -0.420 55.359 55.803 -0.039 0.000 0.923 510 Q CB 0.842 29.548 28.738 -0.052 0.000 1.185 510 Q HN 0.597 nan 8.270 nan 0.000 0.410 511 V N 0.438 120.344 119.914 -0.013 0.000 3.565 511 V HA 0.305 4.423 4.120 -0.003 0.000 0.260 511 V C 0.066 176.162 176.094 0.003 0.000 1.231 511 V CA 0.696 62.998 62.300 0.003 0.000 1.100 511 V CB 0.146 31.967 31.823 -0.003 0.000 0.807 511 V HN 0.658 nan 8.190 nan 0.000 0.454 512 S N -0.348 115.348 115.700 -0.007 0.000 2.578 512 S HA 0.480 4.948 4.470 -0.003 0.000 0.272 512 S C -1.194 173.395 174.600 -0.018 0.000 1.145 512 S CA -0.768 57.436 58.200 0.006 0.000 0.835 512 S CB 1.263 64.469 63.200 0.010 0.000 1.104 512 S HN 0.369 nan 8.310 nan 0.000 0.458 513 E N 2.265 122.445 120.200 -0.033 0.000 2.765 513 E HA 0.131 4.480 4.350 -0.003 0.000 0.256 513 E C 0.411 176.920 176.600 -0.153 0.000 0.935 513 E CA 0.727 56.996 56.400 -0.219 0.000 0.954 513 E CB -0.652 28.892 29.700 -0.260 0.000 0.908 513 E HN 0.742 nan 8.360 nan 0.000 0.500 514 H N -0.717 118.370 119.070 0.028 0.000 3.580 514 H HA -0.171 4.383 4.556 -0.003 0.000 0.224 514 H C -0.478 174.800 175.328 -0.083 0.000 1.047 514 H CA 1.505 57.516 56.048 -0.062 0.000 1.204 514 H CB -2.245 27.641 29.762 0.206 0.000 1.193 514 H HN 0.561 nan 8.280 nan 0.000 0.319 515 T N 1.053 115.625 114.554 0.030 0.000 2.807 515 T HA 0.572 4.920 4.350 -0.003 0.000 0.279 515 T C 0.425 175.098 174.700 -0.045 0.000 0.993 515 T CA -0.818 61.293 62.100 0.017 0.000 0.970 515 T CB 2.591 71.480 68.868 0.036 0.000 0.950 515 T HN 0.207 nan 8.240 nan 0.000 0.441 516 L N 2.517 123.702 121.223 -0.063 0.000 2.313 516 L HA 0.775 5.113 4.340 -0.003 0.000 0.283 516 L C 0.361 177.213 176.870 -0.030 0.000 1.013 516 L CA -0.191 54.606 54.840 -0.071 0.000 0.816 516 L CB 1.123 43.105 42.059 -0.129 0.000 1.236 516 L HN 0.780 nan 8.230 nan 0.000 0.419 517 G N 2.908 111.694 108.800 -0.022 0.000 2.372 517 G HA2 0.379 4.337 3.960 -0.003 0.000 0.286 517 G HA3 0.379 4.337 3.960 -0.003 0.000 0.286 517 G C 0.026 174.931 174.900 0.008 0.000 1.153 517 G CA 0.115 45.207 45.100 -0.012 0.000 0.985 517 G HN 0.789 nan 8.290 nan 0.000 0.429 518 T N 0.211 114.806 114.554 0.068 0.000 2.832 518 T HA 0.367 4.716 4.350 -0.003 0.000 0.296 518 T C 0.608 175.398 174.700 0.149 0.000 0.968 518 T CA -0.745 61.433 62.100 0.130 0.000 1.107 518 T CB 1.802 70.807 68.868 0.227 0.000 0.916 518 T HN 0.622 nan 8.240 nan 0.000 0.517 519 V N 5.459 125.397 119.914 0.040 0.000 2.843 519 V HA 0.435 4.554 4.120 -0.003 0.000 0.305 519 V C -0.211 175.778 176.094 -0.175 0.000 1.065 519 V CA 0.146 62.371 62.300 -0.125 0.000 1.116 519 V CB -0.179 31.582 31.823 -0.104 0.000 0.968 519 V HN 1.254 nan 8.190 nan 0.000 0.487 520 H N 2.298 121.116 119.070 -0.419 0.000 2.969 520 H HA 0.417 4.971 4.556 -0.003 0.000 0.304 520 H C -1.128 173.866 175.328 -0.556 0.000 1.400 520 H CA -0.257 55.383 56.048 -0.680 0.000 1.182 520 H CB 1.117 29.981 29.762 -1.498 0.000 1.865 520 H HN 0.760 nan 8.280 nan 0.000 0.512 521 T N -0.442 113.846 114.554 -0.442 0.000 2.888 521 T HA 0.436 4.785 4.350 -0.003 0.000 0.284 521 T C -0.588 173.873 174.700 -0.399 0.000 1.017 521 T CA -0.777 61.093 62.100 -0.384 0.000 1.022 521 T CB 1.967 70.698 68.868 -0.229 0.000 1.013 521 T HN 0.639 nan 8.240 nan 0.000 0.465 522 H N 0.918 119.823 119.070 -0.275 0.000 2.529 522 H HA 0.715 5.270 4.556 -0.003 0.000 0.348 522 H C -0.617 174.730 175.328 0.032 0.000 1.152 522 H CA -0.825 55.172 56.048 -0.085 0.000 1.202 522 H CB 2.084 31.768 29.762 -0.130 0.000 1.562 522 H HN 0.747 nan 8.280 nan 0.000 0.515 523 S N 0.879 116.757 115.700 0.296 0.000 2.563 523 S HA 0.567 5.036 4.470 -0.003 0.000 0.279 523 S C -0.873 173.919 174.600 0.319 0.000 1.155 523 S CA -0.796 57.610 58.200 0.343 0.000 0.928 523 S CB 2.032 65.385 63.200 0.255 0.000 1.107 523 S HN 0.848 nan 8.310 nan 0.000 0.462 524 A N 1.957 124.880 122.820 0.172 0.000 2.380 524 A HA 0.841 5.159 4.320 -0.003 0.000 0.315 524 A C -1.107 176.302 177.584 -0.292 0.000 1.101 524 A CA -0.568 51.285 52.037 -0.306 0.000 0.771 524 A CB 1.208 19.807 19.000 -0.668 0.000 1.287 524 A HN 0.909 nan 8.150 nan 0.000 0.436 525 H N 0.379 118.852 119.070 -0.995 0.000 2.538 525 H HA 0.671 5.225 4.556 -0.003 0.000 0.353 525 H C -1.806 173.052 175.328 -0.784 0.000 1.109 525 H CA -0.587 54.997 56.048 -0.774 0.000 1.192 525 H CB 1.067 30.041 29.762 -1.313 0.000 1.555 525 H HN 0.512 nan 8.280 nan 0.000 0.518 526 F N 2.298 122.076 119.950 -0.286 0.000 2.551 526 F HA 0.288 4.813 4.527 -0.003 0.000 0.316 526 F C -0.139 175.423 175.800 -0.396 0.000 1.089 526 F CA -0.941 56.901 58.000 -0.263 0.000 0.915 526 F CB 1.853 40.870 39.000 0.029 0.000 1.186 526 F HN 0.323 nan 8.300 nan 0.000 0.456 527 K N 2.177 122.448 120.400 -0.215 0.000 2.234 527 K HA 0.676 4.994 4.320 -0.003 0.000 0.277 527 K C -1.554 174.820 176.600 -0.377 0.000 1.038 527 K CA -0.441 55.527 56.287 -0.532 0.000 0.888 527 K CB 1.069 33.301 32.500 -0.447 0.000 1.091 527 K HN 0.545 nan 8.250 nan 0.000 0.467 528 V N 3.543 123.184 119.914 -0.455 0.000 2.276 528 V HA 0.092 4.211 4.120 -0.003 0.000 0.268 528 V C -0.481 175.449 176.094 -0.273 0.000 1.032 528 V CA -0.913 61.219 62.300 -0.279 0.000 0.810 528 V CB 0.677 32.351 31.823 -0.249 0.000 1.060 528 V HN 0.793 nan 8.190 nan 0.000 0.446 529 D N 3.872 124.144 120.400 -0.214 0.000 2.688 529 D HA 0.211 4.850 4.640 -0.003 0.000 0.228 529 D C 0.275 176.560 176.300 -0.025 0.000 1.116 529 D CA 0.083 54.011 54.000 -0.120 0.000 1.023 529 D CB -0.032 40.758 40.800 -0.017 0.000 1.100 529 D HN 0.475 nan 8.370 nan 0.000 0.487 530 L N 1.479 122.677 121.223 -0.042 0.000 2.456 530 L HA 0.146 4.484 4.340 -0.003 0.000 0.272 530 L C 0.303 177.206 176.870 0.055 0.000 1.189 530 L CA 0.391 55.236 54.840 0.008 0.000 0.846 530 L CB 0.631 42.700 42.059 0.017 0.000 1.111 530 L HN 0.160 nan 8.230 nan 0.000 0.475 531 D N 2.120 122.577 120.400 0.095 0.000 2.513 531 D HA 0.165 4.804 4.640 -0.003 0.000 0.295 531 D C -0.657 175.752 176.300 0.182 0.000 1.202 531 D CA -0.223 53.855 54.000 0.130 0.000 0.849 531 D CB 1.131 42.018 40.800 0.145 0.000 1.116 531 D HN 0.017 nan 8.370 nan 0.000 0.502 532 V N 1.095 121.141 119.914 0.220 0.000 2.434 532 V HA 0.226 4.344 4.120 -0.003 0.000 0.281 532 V C 1.462 177.783 176.094 0.377 0.000 1.005 532 V CA -0.072 62.440 62.300 0.354 0.000 1.089 532 V CB 0.022 32.106 31.823 0.435 0.000 0.978 532 V HN 0.669 nan 8.190 nan 0.000 0.474 533 A N 3.362 126.434 122.820 0.420 0.000 2.799 533 A HA 0.090 4.408 4.320 -0.003 0.000 0.287 533 A C 1.262 178.987 177.584 0.236 0.000 1.484 533 A CA 1.406 53.595 52.037 0.253 0.000 0.813 533 A CB -1.467 17.620 19.000 0.146 0.000 1.009 533 A HN 2.796 nan 8.150 nan 0.000 0.545 534 G N -3.251 105.682 108.800 0.221 0.000 2.331 534 G HA2 0.235 4.193 3.960 -0.003 0.000 0.402 534 G HA3 0.235 4.193 3.960 -0.003 0.000 0.402 534 G C 0.260 175.251 174.900 0.151 0.000 1.275 534 G CA -0.228 44.982 45.100 0.183 0.000 1.003 534 G HN 0.898 nan 8.290 nan 0.000 0.500 535 L N 0.091 121.379 121.223 0.110 0.000 2.127 535 L HA 0.209 4.547 4.340 -0.003 0.000 0.203 535 L C 1.174 178.055 176.870 0.018 0.000 1.080 535 L CA 0.993 55.864 54.840 0.053 0.000 0.768 535 L CB -0.205 41.866 42.059 0.020 0.000 0.924 535 L HN 0.563 nan 8.230 nan 0.000 0.444 536 E N 1.141 121.355 120.200 0.024 0.000 2.129 536 E HA 0.172 4.520 4.350 -0.003 0.000 0.283 536 E C -0.989 175.593 176.600 -0.029 0.000 1.080 536 E CA 0.085 56.427 56.400 -0.096 0.000 0.867 536 E CB 0.472 30.106 29.700 -0.111 0.000 1.056 536 E HN 0.250 nan 8.360 nan 0.000 0.404 537 N N 1.820 120.436 118.700 -0.141 0.000 2.312 537 N HA 0.481 5.219 4.740 -0.003 0.000 0.296 537 N C -1.127 174.348 175.510 -0.058 0.000 1.193 537 N CA -0.884 52.243 53.050 0.128 0.000 0.773 537 N CB 1.607 40.196 38.487 0.170 0.000 1.435 537 N HN 0.304 nan 8.380 nan 0.000 0.484 538 W N 0.392 121.687 121.300 -0.008 0.000 2.781 538 W HA 0.573 5.232 4.660 -0.003 0.000 0.345 538 W C -0.983 175.384 176.519 -0.253 0.000 1.085 538 W CA -0.755 56.474 57.345 -0.193 0.000 1.198 538 W CB 1.644 30.883 29.460 -0.369 0.000 1.423 538 W HN 0.057 nan 8.180 nan 0.000 0.532 539 V N 1.636 121.469 119.914 -0.135 0.000 2.394 539 V HA 0.296 4.415 4.120 -0.003 0.000 0.282 539 V C -0.868 174.997 176.094 -0.382 0.000 1.031 539 V CA -0.389 61.811 62.300 -0.167 0.000 0.881 539 V CB 0.674 32.459 31.823 -0.063 0.000 0.982 539 V HN 0.427 nan 8.190 nan 0.000 0.451 540 W N 2.440 123.535 121.300 -0.342 0.000 2.689 540 W HA 0.764 5.423 4.660 -0.003 0.000 0.340 540 W C -0.120 176.129 176.519 -0.450 0.000 1.060 540 W CA -0.766 56.309 57.345 -0.449 0.000 1.218 540 W CB 2.044 31.053 29.460 -0.752 0.000 1.410 540 W HN 0.585 nan 8.180 nan 0.000 0.528 541 A N 2.423 125.316 122.820 0.122 0.000 2.466 541 A HA 0.554 4.873 4.320 -0.003 0.000 0.291 541 A C -0.865 176.815 177.584 0.159 0.000 1.234 541 A CA -0.659 51.442 52.037 0.107 0.000 0.752 541 A CB 0.408 19.493 19.000 0.141 0.000 1.153 541 A HN 0.660 nan 8.150 nan 0.000 0.458 542 E N 1.497 121.805 120.200 0.179 0.000 2.202 542 E HA 0.539 4.888 4.350 -0.003 0.000 0.272 542 E C -0.861 175.821 176.600 0.137 0.000 0.951 542 E CA -0.726 55.763 56.400 0.148 0.000 0.813 542 E CB 2.078 31.852 29.700 0.123 0.000 1.151 542 E HN 0.679 nan 8.360 nan 0.000 0.398 543 D N 0.545 120.991 120.400 0.078 0.000 3.703 543 D HA 0.369 5.007 4.640 -0.003 0.000 0.315 543 D C -1.149 175.152 176.300 0.003 0.000 1.464 543 D CA -0.334 53.708 54.000 0.070 0.000 0.982 543 D CB 1.360 42.201 40.800 0.069 0.000 1.391 543 D HN 0.472 nan 8.370 nan 0.000 0.625 544 M N -0.061 119.525 119.600 -0.023 0.000 2.744 544 M HA 0.770 5.248 4.480 -0.003 0.000 0.283 544 M C -1.524 174.702 176.300 -0.124 0.000 1.275 544 M CA -0.794 54.442 55.300 -0.107 0.000 0.796 544 M CB 2.909 35.415 32.600 -0.156 0.000 1.739 544 M HN 0.146 nan 8.290 nan 0.000 0.454 545 V N 0.476 120.244 119.914 -0.243 0.000 3.002 545 V HA 0.474 4.592 4.120 -0.003 0.000 0.259 545 V C -2.416 173.503 176.094 -0.291 0.000 1.748 545 V CA -0.627 61.563 62.300 -0.183 0.000 0.954 545 V CB 2.473 34.264 31.823 -0.053 0.000 1.323 545 V HN 0.874 nan 8.190 nan 0.000 0.458 546 F N 4.809 124.771 119.950 0.020 0.000 2.361 546 F HA 0.630 5.155 4.527 -0.003 0.000 0.364 546 F C 0.211 176.018 175.800 0.011 0.000 1.117 546 F CA -0.819 57.190 58.000 0.014 0.000 1.071 546 F CB 1.978 40.985 39.000 0.013 0.000 1.188 546 F HN 0.330 nan 8.300 nan 0.000 0.464 547 V N 5.862 125.888 119.914 0.187 0.000 2.348 547 V HA 0.266 4.384 4.120 -0.003 0.000 0.270 547 V C -2.240 173.910 176.094 0.093 0.000 1.037 547 V CA -2.077 60.287 62.300 0.107 0.000 0.872 547 V CB 0.881 32.742 31.823 0.064 0.000 1.002 547 V HN 0.472 nan 8.190 nan 0.000 0.464 548 P HA 0.425 nan 4.420 nan 0.000 0.276 548 P C -0.500 176.809 177.300 0.015 0.000 1.235 548 P CA -0.048 63.071 63.100 0.032 0.000 0.772 548 P CB 0.543 32.254 31.700 0.017 0.000 0.871 549 M N 0.853 120.452 119.600 -0.002 0.000 2.643 549 M HA 0.744 5.222 4.480 -0.003 0.000 0.276 549 M C -1.207 175.064 176.300 -0.049 0.000 1.200 549 M CA -1.302 53.987 55.300 -0.019 0.000 0.863 549 M CB 1.758 34.352 32.600 -0.009 0.000 1.711 549 M HN 0.127 nan 8.290 nan 0.000 0.492 550 A N 1.315 124.099 122.820 -0.059 0.000 2.425 550 A HA 0.562 4.881 4.320 -0.003 0.000 0.242 550 A C 0.013 177.499 177.584 -0.163 0.000 1.077 550 A CA -0.539 51.443 52.037 -0.092 0.000 0.781 550 A CB 0.217 19.173 19.000 -0.073 0.000 1.020 550 A HN 0.713 nan 8.150 nan 0.000 0.494 551 V N 4.261 124.024 119.914 -0.251 0.000 2.446 551 V HA 0.070 4.188 4.120 -0.003 0.000 0.276 551 V C -1.381 174.421 176.094 -0.486 0.000 1.030 551 V CA -0.450 61.532 62.300 -0.529 0.000 1.033 551 V CB 0.703 32.091 31.823 -0.724 0.000 0.993 551 V HN 0.821 nan 8.190 nan 0.000 0.477 552 P HA -0.160 nan 4.420 nan 0.000 0.218 552 P C 0.730 178.054 177.300 0.041 0.000 1.150 552 P CA 1.679 64.730 63.100 -0.082 0.000 0.841 552 P CB 0.040 31.803 31.700 0.105 0.000 0.784 553 W N -2.360 118.950 121.300 0.017 0.000 2.937 553 W HA 0.696 5.354 4.660 -0.003 0.000 0.435 553 W C -0.200 176.333 176.519 0.023 0.000 0.912 553 W CA -0.568 56.785 57.345 0.014 0.000 2.209 553 W CB -0.320 29.142 29.460 0.004 0.000 1.144 553 W HN -0.217 nan 8.180 nan 0.000 0.762 554 S N 0.154 115.784 115.700 -0.116 0.000 3.255 554 S HA 0.098 4.566 4.470 -0.003 0.000 0.125 554 S C -2.232 172.338 174.600 -0.049 0.000 0.855 554 S CA -0.459 57.718 58.200 -0.038 0.000 0.833 554 S CB -0.455 62.708 63.200 -0.061 0.000 1.449 554 S HN -0.099 nan 8.310 nan 0.000 0.640 555 P HA -0.100 nan 4.420 nan 0.000 0.231 555 P C 1.017 178.293 177.300 -0.040 0.000 1.154 555 P CA 1.108 64.179 63.100 -0.047 0.000 0.762 555 P CB -0.127 31.557 31.700 -0.028 0.000 0.790 556 E N -2.386 117.804 120.200 -0.016 0.000 2.230 556 E HA -0.089 4.260 4.350 -0.003 0.000 0.192 556 E C 0.323 176.788 176.600 -0.225 0.000 0.987 556 E CA 0.621 56.969 56.400 -0.088 0.000 0.841 556 E CB -0.439 29.229 29.700 -0.053 0.000 0.783 556 E HN 0.356 nan 8.360 nan 0.000 0.481 557 H N -0.366 118.650 119.070 -0.091 0.000 2.595 557 H HA 0.421 4.975 4.556 -0.003 0.000 0.346 557 H C -0.881 174.375 175.328 -0.119 0.000 1.181 557 H CA -0.831 55.157 56.048 -0.099 0.000 1.242 557 H CB 1.439 31.135 29.762 -0.110 0.000 1.652 557 H HN -0.049 nan 8.280 nan 0.000 0.548 558 Q N 1.141 120.956 119.800 0.024 0.000 2.301 558 Q HA 0.567 4.905 4.340 -0.003 0.000 0.267 558 Q C -1.885 174.091 176.000 -0.040 0.000 1.035 558 Q CA -1.054 54.731 55.803 -0.029 0.000 0.856 558 Q CB 1.326 30.045 28.738 -0.033 0.000 1.337 558 Q HN 0.519 nan 8.270 nan 0.000 0.450 559 L N -0.072 121.117 121.223 -0.057 0.000 2.434 559 L HA 0.607 4.945 4.340 -0.003 0.000 0.260 559 L C -1.355 175.503 176.870 -0.020 0.000 0.983 559 L CA -0.731 54.078 54.840 -0.052 0.000 0.820 559 L CB 2.152 44.160 42.059 -0.084 0.000 1.361 559 L HN 0.473 nan 8.230 nan 0.000 0.410 560 Q N 2.157 121.950 119.800 -0.013 0.000 2.456 560 Q HA 0.349 4.687 4.340 -0.003 0.000 0.234 560 Q C -0.657 175.460 176.000 0.196 0.000 1.061 560 Q CA -0.357 55.469 55.803 0.038 0.000 0.896 560 Q CB 1.240 29.877 28.738 -0.168 0.000 1.233 560 Q HN 0.600 nan 8.270 nan 0.000 0.506 561 R N 2.386 122.990 120.500 0.173 0.000 2.296 561 R HA 0.142 4.480 4.340 -0.003 0.000 0.323 561 R C -0.767 175.654 176.300 0.202 0.000 1.067 561 R CA -0.377 55.821 56.100 0.162 0.000 0.946 561 R CB -0.196 30.152 30.300 0.079 0.000 0.991 561 R HN 0.378 nan 8.270 nan 0.000 0.448 562 L N 4.314 125.646 121.223 0.181 0.000 2.360 562 L HA 0.262 4.600 4.340 -0.003 0.000 0.276 562 L C -0.596 176.217 176.870 -0.096 0.000 1.121 562 L CA 0.854 55.634 54.840 -0.099 0.000 0.845 562 L CB 0.747 42.743 42.059 -0.105 0.000 1.143 562 L HN 0.742 nan 8.230 nan 0.000 0.452 563 Q N 3.061 122.769 119.800 -0.153 0.000 2.495 563 Q HA 0.596 4.935 4.340 -0.003 0.000 0.287 563 Q C -1.395 174.541 176.000 -0.107 0.000 1.078 563 Q CA -1.162 54.588 55.803 -0.088 0.000 0.793 563 Q CB 2.386 31.098 28.738 -0.043 0.000 1.459 563 Q HN 0.422 nan 8.270 nan 0.000 0.422 564 V N 1.098 120.971 119.914 -0.070 0.000 2.617 564 V HA 0.441 4.559 4.120 -0.003 0.000 0.298 564 V C -0.046 176.032 176.094 -0.027 0.000 1.048 564 V CA -0.400 61.863 62.300 -0.061 0.000 0.964 564 V CB 1.553 33.340 31.823 -0.060 0.000 1.004 564 V HN 0.933 nan 8.190 nan 0.000 0.466 565 T N 2.403 116.953 114.554 -0.007 0.000 2.809 565 T HA 0.585 4.933 4.350 -0.003 0.000 0.296 565 T C -0.563 174.172 174.700 0.058 0.000 1.015 565 T CA -0.775 61.340 62.100 0.026 0.000 0.954 565 T CB 0.897 69.783 68.868 0.031 0.000 0.950 565 T HN 0.702 nan 8.240 nan 0.000 0.450 566 R N 2.521 123.066 120.500 0.074 0.000 2.445 566 R HA 0.665 5.003 4.340 -0.003 0.000 0.308 566 R C -1.019 175.391 176.300 0.184 0.000 0.961 566 R CA -0.818 55.355 56.100 0.123 0.000 0.862 566 R CB 1.275 31.618 30.300 0.071 0.000 1.144 566 R HN 0.771 nan 8.270 nan 0.000 0.447 567 K N 4.088 124.640 120.400 0.254 0.000 2.469 567 K HA 0.323 4.641 4.320 -0.003 0.000 0.254 567 K C -1.778 175.004 176.600 0.303 0.000 0.939 567 K CA -0.881 55.554 56.287 0.247 0.000 0.812 567 K CB 1.579 34.174 32.500 0.158 0.000 1.301 567 K HN 0.408 nan 8.250 nan 0.000 0.433 568 L N 4.907 126.242 121.223 0.186 0.000 2.289 568 L HA 0.440 4.779 4.340 -0.003 0.000 0.285 568 L C -1.407 175.411 176.870 -0.086 0.000 1.049 568 L CA -0.231 54.536 54.840 -0.122 0.000 0.804 568 L CB 0.987 42.883 42.059 -0.272 0.000 1.195 568 L HN 0.588 nan 8.230 nan 0.000 0.428 569 L N 5.908 127.049 121.223 -0.137 0.000 2.262 569 L HA 0.397 4.735 4.340 -0.003 0.000 0.288 569 L C 0.606 177.426 176.870 -0.083 0.000 1.035 569 L CA -0.161 54.645 54.840 -0.058 0.000 0.820 569 L CB 1.032 43.089 42.059 -0.004 0.000 1.204 569 L HN 0.754 nan 8.230 nan 0.000 0.424 570 E N 2.302 122.469 120.200 -0.055 0.000 2.290 570 E HA 0.171 4.519 4.350 -0.003 0.000 0.197 570 E C -0.069 176.499 176.600 -0.054 0.000 0.948 570 E CA 0.259 56.627 56.400 -0.055 0.000 0.895 570 E CB 0.515 30.197 29.700 -0.029 0.000 0.865 570 E HN 0.467 nan 8.360 nan 0.000 0.486 571 M N 1.025 120.600 119.600 -0.042 0.000 2.238 571 M HA 0.211 4.689 4.480 -0.003 0.000 0.350 571 M C 0.754 177.029 176.300 -0.041 0.000 1.138 571 M CA -0.113 55.162 55.300 -0.041 0.000 1.040 571 M CB 1.167 33.746 32.600 -0.036 0.000 1.639 571 M HN -0.032 nan 8.290 nan 0.000 0.451 572 E N 1.205 121.382 120.200 -0.037 0.000 2.169 572 E HA -0.275 4.073 4.350 -0.003 0.000 0.202 572 E C 0.992 177.568 176.600 -0.040 0.000 1.016 572 E CA 2.004 58.388 56.400 -0.026 0.000 0.817 572 E CB 0.232 29.917 29.700 -0.025 0.000 0.736 572 E HN 0.650 nan 8.360 nan 0.000 0.462 573 E N 0.448 120.617 120.200 -0.052 0.000 2.051 573 E HA -0.202 4.146 4.350 -0.003 0.000 0.192 573 E C 1.900 178.423 176.600 -0.128 0.000 0.991 573 E CA 1.446 57.806 56.400 -0.068 0.000 0.799 573 E CB -0.103 29.566 29.700 -0.052 0.000 0.748 573 E HN 0.406 nan 8.360 nan 0.000 0.449 574 Q N -0.553 119.176 119.800 -0.119 0.000 2.515 574 Q HA 0.149 4.487 4.340 -0.003 0.000 0.212 574 Q C 1.005 176.864 176.000 -0.236 0.000 0.970 574 Q CA 0.940 56.641 55.803 -0.170 0.000 0.941 574 Q CB 0.356 29.047 28.738 -0.078 0.000 0.998 574 Q HN 0.160 nan 8.270 nan 0.000 0.518 575 A N 0.299 123.023 122.820 -0.159 0.000 2.538 575 A HA 0.635 4.953 4.320 -0.003 0.000 0.269 575 A C 0.426 178.048 177.584 0.063 0.000 1.231 575 A CA -0.023 52.036 52.037 0.037 0.000 0.948 575 A CB 0.605 19.669 19.000 0.107 0.000 1.110 575 A HN 0.324 nan 8.150 nan 0.000 0.529 576 A N 0.213 122.922 122.820 -0.186 0.000 2.287 576 A HA 0.733 5.051 4.320 -0.003 0.000 0.317 576 A C -1.167 176.365 177.584 -0.087 0.000 1.220 576 A CA -0.303 51.751 52.037 0.029 0.000 0.835 576 A CB 0.075 19.091 19.000 0.026 0.000 1.180 576 A HN 0.244 nan 8.150 nan 0.000 0.500 577 F N 2.856 122.981 119.950 0.292 0.000 2.403 577 F HA 0.421 4.947 4.527 -0.003 0.000 0.355 577 F C 0.266 176.225 175.800 0.266 0.000 1.119 577 F CA -0.606 57.534 58.000 0.234 0.000 1.007 577 F CB 1.286 40.381 39.000 0.159 0.000 1.194 577 F HN 0.411 nan 8.300 nan 0.000 0.443 578 L N 2.943 124.307 121.223 0.235 0.000 2.482 578 L HA 0.175 4.513 4.340 -0.003 0.000 0.273 578 L C 0.145 177.068 176.870 0.088 0.000 1.228 578 L CA -0.512 54.338 54.840 0.016 0.000 0.827 578 L CB 0.413 42.402 42.059 -0.116 0.000 1.099 578 L HN 0.266 nan 8.230 nan 0.000 0.494 579 V N 2.349 122.277 119.914 0.023 0.000 2.585 579 V HA 0.278 4.397 4.120 -0.003 0.000 0.296 579 V C 1.036 177.156 176.094 0.043 0.000 1.035 579 V CA 1.484 63.820 62.300 0.060 0.000 1.084 579 V CB 0.349 32.191 31.823 0.032 0.000 0.953 579 V HN 1.112 nan 8.190 nan 0.000 0.483 580 G N 4.068 112.910 108.800 0.070 0.000 2.604 580 G HA2 -0.221 3.737 3.960 -0.003 0.000 0.205 580 G HA3 -0.221 3.737 3.960 -0.003 0.000 0.205 580 G C 0.427 175.370 174.900 0.072 0.000 1.186 580 G CA 0.036 45.170 45.100 0.057 0.000 0.753 580 G HN 1.187 nan 8.290 nan 0.000 0.526 581 S N 1.436 117.189 115.700 0.088 0.000 2.585 581 S HA 0.722 5.190 4.470 -0.003 0.000 0.273 581 S C 0.668 175.354 174.600 0.143 0.000 1.339 581 S CA 0.596 58.861 58.200 0.108 0.000 1.028 581 S CB 1.677 64.945 63.200 0.114 0.000 0.906 581 S HN 1.997 nan 8.310 nan 0.000 0.528 582 A N 2.121 125.019 122.820 0.130 0.000 2.425 582 A HA 0.558 4.876 4.320 -0.003 0.000 0.242 582 A C 0.838 178.517 177.584 0.159 0.000 1.077 582 A CA -0.113 51.995 52.037 0.118 0.000 0.781 582 A CB -0.381 18.676 19.000 0.095 0.000 1.020 582 A HN 1.213 nan 8.150 nan 0.000 0.494 583 T N -0.072 114.514 114.554 0.053 0.000 2.924 583 T HA 0.754 5.102 4.350 -0.003 0.000 0.291 583 T C -2.838 171.815 174.700 -0.078 0.000 1.045 583 T CA -1.731 60.306 62.100 -0.105 0.000 1.015 583 T CB 1.384 70.055 68.868 -0.328 0.000 1.103 583 T HN 0.569 nan 8.240 nan 0.000 0.496 584 P HA 0.219 nan 4.420 nan 0.000 0.268 584 P C 0.585 177.870 177.300 -0.025 0.000 1.204 584 P CA -0.430 62.663 63.100 -0.012 0.000 0.768 584 P CB 1.034 32.746 31.700 0.020 0.000 0.842 585 R N 1.485 122.007 120.500 0.037 0.000 2.127 585 R HA -0.102 4.236 4.340 -0.003 0.000 0.238 585 R C 0.154 176.425 176.300 -0.048 0.000 1.134 585 R CA 1.436 57.549 56.100 0.022 0.000 0.975 585 R CB -0.255 30.110 30.300 0.107 0.000 0.865 585 R HN 0.553 nan 8.270 nan 0.000 0.447 586 Y N 0.030 120.309 120.300 -0.035 0.000 2.332 586 Y HA 0.325 4.874 4.550 -0.003 0.000 0.326 586 Y C -0.792 175.124 175.900 0.027 0.000 0.978 586 Y CA -0.954 57.122 58.100 -0.040 0.000 1.205 586 Y CB 1.658 40.057 38.460 -0.101 0.000 1.131 586 Y HN -0.123 nan 8.280 nan 0.000 0.462 587 L N 6.768 128.055 121.223 0.107 0.000 2.410 587 L HA 0.701 5.039 4.340 -0.003 0.000 0.270 587 L C -1.671 175.319 176.870 0.199 0.000 0.983 587 L CA -1.057 53.821 54.840 0.062 0.000 0.822 587 L CB 1.180 43.191 42.059 -0.080 0.000 1.285 587 L HN 0.513 nan 8.230 nan 0.000 0.409 588 Y N 2.716 123.089 120.300 0.122 0.000 2.641 588 Y HA 0.673 5.222 4.550 -0.003 0.000 0.333 588 Y C -2.061 173.995 175.900 0.260 0.000 1.174 588 Y CA -1.633 56.569 58.100 0.170 0.000 1.057 588 Y CB 0.837 39.398 38.460 0.167 0.000 1.322 588 Y HN 0.438 nan 8.280 nan 0.000 0.457 589 L N 2.757 124.243 121.223 0.438 0.000 2.322 589 L HA 0.983 5.322 4.340 -0.003 0.000 0.279 589 L C -0.018 177.214 176.870 0.603 0.000 1.036 589 L CA -0.960 54.105 54.840 0.375 0.000 0.807 589 L CB 1.484 43.694 42.059 0.250 0.000 1.226 589 L HN 0.962 nan 8.230 nan 0.000 0.433 590 A N 1.844 125.041 122.820 0.629 0.000 2.569 590 A HA 0.686 5.004 4.320 -0.003 0.000 0.290 590 A C -0.603 177.332 177.584 0.584 0.000 1.136 590 A CA -0.444 52.000 52.037 0.678 0.000 0.710 590 A CB 1.960 21.492 19.000 0.886 0.000 1.303 590 A HN 0.575 nan 8.150 nan 0.000 0.413 591 S N -0.945 115.035 115.700 0.467 0.000 2.661 591 S HA 0.177 4.645 4.470 -0.003 0.000 0.265 591 S C 1.172 175.908 174.600 0.226 0.000 1.225 591 S CA 0.224 58.651 58.200 0.378 0.000 0.986 591 S CB 0.603 63.970 63.200 0.278 0.000 1.008 591 S HN 0.837 nan 8.310 nan 0.000 0.565 592 N N 0.355 119.060 118.700 0.009 0.000 2.333 592 N HA -0.011 4.728 4.740 -0.003 0.000 0.178 592 N C -0.018 175.296 175.510 -0.328 0.000 1.018 592 N CA 0.846 53.650 53.050 -0.411 0.000 0.882 592 N CB -0.234 38.056 38.487 -0.328 0.000 0.984 592 N HN 0.596 nan 8.380 nan 0.000 0.434 593 H N -0.245 118.847 119.070 0.037 0.000 2.562 593 H HA 0.296 4.850 4.556 -0.003 0.000 0.352 593 H C -0.098 175.216 175.328 -0.022 0.000 1.125 593 H CA -0.180 55.864 56.048 -0.005 0.000 1.379 593 H CB 0.985 30.742 29.762 -0.008 0.000 1.464 593 H HN -0.010 nan 8.280 nan 0.000 0.563 594 S N 1.977 117.718 115.700 0.070 0.000 2.617 594 S HA 0.111 4.580 4.470 -0.003 0.000 0.283 594 S C 0.606 175.173 174.600 -0.053 0.000 1.189 594 S CA -1.030 57.170 58.200 -0.001 0.000 1.036 594 S CB 0.820 63.992 63.200 -0.045 0.000 1.014 594 S HN 0.720 nan 8.310 nan 0.000 0.522 595 N N 1.631 120.295 118.700 -0.060 0.000 2.498 595 N HA 0.154 4.892 4.740 -0.003 0.000 0.287 595 N C 0.761 176.143 175.510 -0.213 0.000 1.097 595 N CA -0.511 52.461 53.050 -0.129 0.000 0.973 595 N CB 0.786 39.228 38.487 -0.074 0.000 1.153 595 N HN 0.699 nan 8.380 nan 0.000 0.472 596 K N 1.730 121.901 120.400 -0.381 0.000 2.527 596 K HA -0.222 4.096 4.320 -0.003 0.000 0.207 596 K C 0.181 176.332 176.600 -0.748 0.000 0.978 596 K CA 2.412 58.296 56.287 -0.673 0.000 0.892 596 K CB -0.251 31.631 32.500 -1.029 0.000 1.104 596 K HN 0.776 nan 8.250 nan 0.000 0.508 597 W N 0.190 121.478 121.300 -0.021 0.000 3.400 597 W HA 0.289 4.947 4.660 -0.003 0.000 0.347 597 W C 0.983 177.446 176.519 -0.094 0.000 1.218 597 W CA -0.020 57.313 57.345 -0.019 0.000 1.837 597 W CB 0.233 29.718 29.460 0.042 0.000 1.067 597 W HN 0.371 nan 8.180 nan 0.000 0.701 598 G N 1.246 110.011 108.800 -0.058 0.000 2.225 598 G HA2 -0.259 3.699 3.960 -0.003 0.000 0.264 598 G HA3 -0.259 3.699 3.960 -0.003 0.000 0.264 598 G C -0.263 174.451 174.900 -0.309 0.000 1.060 598 G CA -0.373 44.627 45.100 -0.167 0.000 0.833 598 G HN 0.446 nan 8.290 nan 0.000 0.498 599 H N -0.152 118.898 119.070 -0.033 0.000 2.572 599 H HA 0.384 4.938 4.556 -0.003 0.000 0.359 599 H C -2.391 172.909 175.328 -0.046 0.000 1.134 599 H CA -1.648 54.364 56.048 -0.060 0.000 1.187 599 H CB 2.499 32.214 29.762 -0.078 0.000 1.597 599 H HN 0.118 nan 8.280 nan 0.000 0.524 600 P HA 0.046 nan 4.420 nan 0.000 0.267 600 P C -0.379 177.023 177.300 0.170 0.000 1.209 600 P CA -0.066 63.101 63.100 0.112 0.000 0.763 600 P CB 0.727 32.508 31.700 0.136 0.000 0.816 601 R N 2.491 123.080 120.500 0.148 0.000 2.345 601 R HA 0.443 4.782 4.340 -0.003 0.000 0.331 601 R C 1.070 177.594 176.300 0.373 0.000 1.067 601 R CA 0.074 56.266 56.100 0.153 0.000 0.962 601 R CB 0.110 30.365 30.300 -0.075 0.000 0.987 601 R HN 0.572 nan 8.270 nan 0.000 0.451 602 G N 1.539 110.583 108.800 0.407 0.000 2.816 602 G HA2 0.481 4.439 3.960 -0.003 0.000 0.288 602 G HA3 0.481 4.439 3.960 -0.003 0.000 0.288 602 G C -1.781 173.399 174.900 0.466 0.000 1.334 602 G CA -0.456 44.963 45.100 0.531 0.000 0.978 602 G HN 0.408 nan 8.290 nan 0.000 0.493 603 Y N 0.049 120.561 120.300 0.354 0.000 2.346 603 Y HA 0.480 5.028 4.550 -0.003 0.000 0.332 603 Y C 0.565 176.619 175.900 0.257 0.000 0.985 603 Y CA -0.786 57.453 58.100 0.233 0.000 1.112 603 Y CB 1.873 40.423 38.460 0.149 0.000 1.170 603 Y HN 0.536 nan 8.280 nan 0.000 0.447 604 R N 4.518 125.145 120.500 0.212 0.000 2.490 604 R HA 0.524 4.863 4.340 -0.003 0.000 0.278 604 R C -1.206 175.194 176.300 0.166 0.000 1.069 604 R CA -0.205 56.004 56.100 0.181 0.000 1.080 604 R CB 0.514 30.807 30.300 -0.012 0.000 1.030 604 R HN 0.766 nan 8.270 nan 0.000 0.491 605 I N 4.035 124.673 120.570 0.112 0.000 2.390 605 I HA 0.166 4.334 4.170 -0.003 0.000 0.283 605 I C -0.324 175.803 176.117 0.017 0.000 1.016 605 I CA -0.352 60.987 61.300 0.065 0.000 1.151 605 I CB 1.686 39.681 38.000 -0.009 0.000 1.293 605 I HN 0.544 nan 8.210 nan 0.000 0.458 606 Q N 7.354 127.203 119.800 0.082 0.000 2.307 606 Q HA 0.620 4.958 4.340 -0.003 0.000 0.262 606 Q C -1.172 174.917 176.000 0.148 0.000 0.961 606 Q CA -0.673 55.165 55.803 0.059 0.000 0.882 606 Q CB 1.746 30.505 28.738 0.036 0.000 1.264 606 Q HN 0.598 nan 8.270 nan 0.000 0.446 607 M N 3.338 122.982 119.600 0.074 0.000 2.573 607 M HA 0.436 4.914 4.480 -0.003 0.000 0.309 607 M C -0.666 175.659 176.300 0.041 0.000 1.202 607 M CA -0.642 54.710 55.300 0.086 0.000 0.975 607 M CB 1.503 34.128 32.600 0.042 0.000 1.600 607 M HN 0.545 nan 8.290 nan 0.000 0.479 608 L N 0.729 121.933 121.223 -0.031 0.000 2.625 608 L HA 0.411 4.750 4.340 -0.003 0.000 0.255 608 L C -0.429 176.177 176.870 -0.441 0.000 1.493 608 L CA -0.297 54.440 54.840 -0.173 0.000 0.796 608 L CB 0.656 42.605 42.059 -0.184 0.000 1.064 608 L HN 0.625 nan 8.230 nan 0.000 0.516 609 S N 0.224 115.736 115.700 -0.314 0.000 2.532 609 S HA 0.737 5.206 4.470 -0.003 0.000 0.301 609 S C -0.125 174.347 174.600 -0.213 0.000 1.083 609 S CA -0.347 57.650 58.200 -0.339 0.000 1.025 609 S CB 1.029 64.222 63.200 -0.011 0.000 1.056 609 S HN 0.390 nan 8.310 nan 0.000 0.494 610 F N 1.908 121.943 119.950 0.141 0.000 2.775 610 F HA 0.428 4.954 4.527 -0.003 0.000 0.313 610 F C 1.127 177.023 175.800 0.159 0.000 1.121 610 F CA -0.842 57.232 58.000 0.124 0.000 1.206 610 F CB 0.044 39.111 39.000 0.113 0.000 1.052 610 F HN 0.682 nan 8.300 nan 0.000 0.524 611 A N 1.708 124.680 122.820 0.252 0.000 2.615 611 A HA 0.260 4.578 4.320 -0.003 0.000 0.240 611 A C 1.130 178.795 177.584 0.134 0.000 1.003 611 A CA 0.892 53.042 52.037 0.189 0.000 0.778 611 A CB -0.461 18.633 19.000 0.156 0.000 0.907 611 A HN 0.508 nan 8.150 nan 0.000 0.507 612 G N 1.681 110.527 108.800 0.077 0.000 2.611 612 G HA2 0.433 4.392 3.960 -0.003 0.000 0.273 612 G HA3 0.433 4.392 3.960 -0.003 0.000 0.273 612 G C -0.140 174.762 174.900 0.003 0.000 1.305 612 G CA -0.536 44.579 45.100 0.025 0.000 1.010 612 G HN 0.859 nan 8.290 nan 0.000 0.509 613 E N 1.232 121.421 120.200 -0.019 0.000 2.289 613 E HA 0.228 4.576 4.350 -0.003 0.000 0.278 613 E C -1.895 174.672 176.600 -0.054 0.000 1.032 613 E CA -1.281 55.101 56.400 -0.030 0.000 0.854 613 E CB 1.133 30.816 29.700 -0.029 0.000 1.046 613 E HN 0.278 nan 8.360 nan 0.000 0.409 614 P HA -0.023 nan 4.420 nan 0.000 0.271 614 P C -0.083 177.184 177.300 -0.055 0.000 1.218 614 P CA -0.166 62.882 63.100 -0.087 0.000 0.780 614 P CB 0.731 32.359 31.700 -0.121 0.000 0.901 615 L N 3.479 124.693 121.223 -0.015 0.000 2.593 615 L HA -0.042 4.296 4.340 -0.003 0.000 0.287 615 L C -1.595 175.262 176.870 -0.023 0.000 1.243 615 L CA -0.894 53.953 54.840 0.013 0.000 0.890 615 L CB -0.628 41.492 42.059 0.101 0.000 1.134 615 L HN 0.315 nan 8.230 nan 0.000 0.502 616 P HA -0.050 nan 4.420 nan 0.000 0.269 616 P C 0.076 177.347 177.300 -0.048 0.000 1.211 616 P CA -0.027 63.051 63.100 -0.036 0.000 0.781 616 P CB 0.444 32.131 31.700 -0.022 0.000 0.877 617 Q N 0.772 120.537 119.800 -0.058 0.000 2.224 617 Q HA -0.158 4.180 4.340 -0.003 0.000 0.203 617 Q C 1.149 177.119 176.000 -0.049 0.000 0.970 617 Q CA 1.268 57.032 55.803 -0.067 0.000 0.865 617 Q CB -0.379 28.319 28.738 -0.067 0.000 0.922 617 Q HN 0.471 nan 8.270 nan 0.000 0.445 618 N N 0.303 118.984 118.700 -0.031 0.000 2.585 618 N HA -0.077 4.662 4.740 -0.003 0.000 0.188 618 N C 0.048 175.555 175.510 -0.005 0.000 1.102 618 N CA 0.299 53.339 53.050 -0.016 0.000 0.920 618 N CB 0.128 38.609 38.487 -0.009 0.000 0.963 618 N HN -0.060 nan 8.380 nan 0.000 0.447 619 S N -0.466 115.225 115.700 -0.014 0.000 2.499 619 S HA 0.145 4.613 4.470 -0.003 0.000 0.275 619 S C 1.274 175.866 174.600 -0.012 0.000 1.257 619 S CA -0.659 57.542 58.200 0.003 0.000 1.050 619 S CB 0.493 63.691 63.200 -0.003 0.000 0.937 619 S HN 0.367 nan 8.310 nan 0.000 0.490 620 S N 5.081 120.818 115.700 0.062 0.000 2.474 620 S HA -0.173 4.295 4.470 -0.003 0.000 0.235 620 S C 1.611 176.239 174.600 0.046 0.000 0.997 620 S CA 1.202 59.465 58.200 0.105 0.000 0.949 620 S CB -0.580 62.756 63.200 0.226 0.000 0.766 620 S HN 0.922 nan 8.310 nan 0.000 0.517 621 M N -0.089 119.453 119.600 -0.097 0.000 2.509 621 M HA 0.569 5.048 4.480 -0.003 0.000 0.250 621 M C 2.025 177.893 176.300 -0.721 0.000 1.132 621 M CA 0.617 55.641 55.300 -0.460 0.000 1.080 621 M CB -0.322 31.937 32.600 -0.569 0.000 1.408 621 M HN 0.177 nan 8.290 nan 0.000 0.484 622 A N 1.603 124.124 122.820 -0.499 0.000 2.139 622 A HA -0.112 4.206 4.320 -0.003 0.000 0.221 622 A C 2.202 179.404 177.584 -0.636 0.000 1.159 622 A CA 1.368 53.059 52.037 -0.576 0.000 0.662 622 A CB -0.570 18.285 19.000 -0.241 0.000 0.796 622 A HN 0.519 nan 8.150 nan 0.000 0.463 623 R N -0.953 119.258 120.500 -0.481 0.000 2.200 623 R HA -0.022 4.316 4.340 -0.003 0.000 0.208 623 R C 2.200 178.276 176.300 -0.373 0.000 1.033 623 R CA 0.914 56.818 56.100 -0.326 0.000 1.000 623 R CB -0.979 29.215 30.300 -0.177 0.000 0.906 623 R HN 0.512 nan 8.270 nan 0.000 0.462 624 G N 0.839 109.278 108.800 -0.602 0.000 2.498 624 G HA2 -0.176 3.783 3.960 -0.003 0.000 0.219 624 G HA3 -0.176 3.783 3.960 -0.003 0.000 0.219 624 G C 0.419 175.202 174.900 -0.194 0.000 1.119 624 G CA 0.399 45.254 45.100 -0.408 0.000 0.766 624 G HN 0.369 nan 8.290 nan 0.000 0.552 625 F N -0.800 119.051 119.950 -0.165 0.000 2.577 625 F HA 0.362 4.887 4.527 -0.003 0.000 0.359 625 F C 1.154 176.579 175.800 -0.626 0.000 1.535 625 F CA -0.829 56.953 58.000 -0.363 0.000 1.093 625 F CB -0.330 38.410 39.000 -0.433 0.000 1.613 625 F HN -0.028 nan 8.300 nan 0.000 0.558 626 S N 0.092 115.660 115.700 -0.221 0.000 2.419 626 S HA -0.196 4.273 4.470 -0.003 0.000 0.233 626 S C 1.688 176.316 174.600 0.047 0.000 1.016 626 S CA 1.030 59.172 58.200 -0.096 0.000 0.974 626 S CB -0.823 62.387 63.200 0.017 0.000 0.786 626 S HN 0.800 nan 8.310 nan 0.000 0.492 627 W N 2.151 123.514 121.300 0.105 0.000 2.374 627 W HA -0.005 4.653 4.660 -0.003 0.000 0.288 627 W C 1.703 178.169 176.519 -0.088 0.000 1.218 627 W CA 0.959 58.207 57.345 -0.161 0.000 1.245 627 W CB -0.934 27.756 29.460 -1.284 0.000 1.126 627 W HN 0.477 nan 8.180 nan 0.000 0.545 628 E N 1.492 121.154 120.200 -0.897 0.000 2.209 628 E HA -0.205 4.144 4.350 -0.003 0.000 0.196 628 E C 2.030 178.511 176.600 -0.199 0.000 0.993 628 E CA 1.074 57.073 56.400 -0.668 0.000 0.819 628 E CB -0.248 28.908 29.700 -0.907 0.000 0.745 628 E HN 0.299 nan 8.360 nan 0.000 0.477 629 R N -0.667 119.735 120.500 -0.164 0.000 2.316 629 R HA -0.019 4.320 4.340 -0.003 0.000 0.202 629 R C -0.129 175.989 176.300 -0.303 0.000 1.029 629 R CA 0.414 56.368 56.100 -0.244 0.000 1.018 629 R CB 0.116 30.193 30.300 -0.372 0.000 0.888 629 R HN 0.138 nan 8.270 nan 0.000 0.471 630 Y N -1.088 119.260 120.300 0.079 0.000 2.549 630 Y HA 0.206 4.755 4.550 -0.003 0.000 0.339 630 Y C 1.194 177.209 175.900 0.192 0.000 1.053 630 Y CA -0.911 57.287 58.100 0.164 0.000 1.105 630 Y CB 1.401 40.011 38.460 0.250 0.000 1.258 630 Y HN -0.243 nan 8.280 nan 0.000 0.478 631 Q N 0.672 120.707 119.800 0.392 0.000 2.349 631 Q HA 0.255 4.593 4.340 -0.003 0.000 0.209 631 Q C -0.850 175.338 176.000 0.313 0.000 0.920 631 Q CA 0.371 56.348 55.803 0.291 0.000 0.901 631 Q CB 1.004 29.871 28.738 0.214 0.000 1.021 631 Q HN 0.521 nan 8.270 nan 0.000 0.519 632 L N -1.428 120.035 121.223 0.400 0.000 2.672 632 L HA 0.716 5.055 4.340 -0.003 0.000 0.256 632 L C -2.345 174.790 176.870 0.441 0.000 0.946 632 L CA -0.547 54.511 54.840 0.363 0.000 0.889 632 L CB 1.932 44.107 42.059 0.194 0.000 1.441 632 L HN -0.095 nan 8.230 nan 0.000 0.418 633 A N 2.852 125.914 122.820 0.404 0.000 2.574 633 A HA 0.861 5.180 4.320 -0.003 0.000 0.297 633 A C -1.902 175.930 177.584 0.413 0.000 1.062 633 A CA -0.458 51.780 52.037 0.336 0.000 0.686 633 A CB 1.989 21.057 19.000 0.115 0.000 1.285 633 A HN 0.898 nan 8.150 nan 0.000 0.403 634 V N 1.613 121.705 119.914 0.296 0.000 2.540 634 V HA 0.832 4.951 4.120 -0.003 0.000 0.302 634 V C 0.318 176.546 176.094 0.223 0.000 1.035 634 V CA 0.160 62.605 62.300 0.242 0.000 0.873 634 V CB 1.631 33.535 31.823 0.135 0.000 0.992 634 V HN 1.371 nan 8.190 nan 0.000 0.428 635 T N 1.124 115.844 114.554 0.275 0.000 2.804 635 T HA 0.513 4.861 4.350 -0.003 0.000 0.290 635 T C -0.787 173.984 174.700 0.119 0.000 1.099 635 T CA -0.927 61.301 62.100 0.213 0.000 1.011 635 T CB 1.936 71.009 68.868 0.341 0.000 1.291 635 T HN 0.508 nan 8.240 nan 0.000 0.523 636 Q N 1.394 121.227 119.800 0.055 0.000 2.324 636 Q HA 0.248 4.586 4.340 -0.003 0.000 0.257 636 Q C -0.019 175.995 176.000 0.022 0.000 1.080 636 Q CA -0.527 55.273 55.803 -0.005 0.000 0.907 636 Q CB 0.695 29.408 28.738 -0.042 0.000 1.274 636 Q HN 0.554 nan 8.270 nan 0.000 0.434 637 R N 3.135 123.643 120.500 0.013 0.000 2.457 637 R HA -0.001 4.337 4.340 -0.003 0.000 0.335 637 R C -0.980 175.311 176.300 -0.014 0.000 1.003 637 R CA 0.639 56.752 56.100 0.023 0.000 1.003 637 R CB 0.037 30.317 30.300 -0.034 0.000 0.950 637 R HN 0.263 nan 8.270 nan 0.000 0.428 638 K N 3.011 123.398 120.400 -0.022 0.000 2.123 638 K HA 0.127 4.445 4.320 -0.003 0.000 0.248 638 K C 0.276 176.855 176.600 -0.034 0.000 0.969 638 K CA -0.853 55.399 56.287 -0.057 0.000 0.882 638 K CB 1.475 33.908 32.500 -0.112 0.000 1.080 638 K HN 0.451 nan 8.250 nan 0.000 0.441 639 E N 1.411 121.593 120.200 -0.029 0.000 2.150 639 E HA -0.142 4.206 4.350 -0.003 0.000 0.193 639 E C 0.128 176.727 176.600 -0.002 0.000 0.985 639 E CA 1.403 57.803 56.400 0.000 0.000 0.814 639 E CB 0.202 29.901 29.700 -0.001 0.000 0.752 639 E HN 0.474 nan 8.360 nan 0.000 0.466 640 E N 0.354 120.526 120.200 -0.045 0.000 2.359 640 E HA 0.098 4.446 4.350 -0.003 0.000 0.187 640 E C -0.475 176.057 176.600 -0.113 0.000 1.081 640 E CA 0.174 56.538 56.400 -0.059 0.000 0.929 640 E CB 0.236 29.891 29.700 -0.074 0.000 1.086 640 E HN 0.221 nan 8.360 nan 0.000 0.462 641 E N 0.551 120.679 120.200 -0.120 0.000 4.090 641 E HA 0.064 4.412 4.350 -0.003 0.000 0.235 641 E C -2.021 174.656 176.600 0.128 0.000 1.187 641 E CA -0.844 55.405 56.400 -0.253 0.000 1.308 641 E CB 0.855 30.050 29.700 -0.842 0.000 1.222 641 E HN 0.107 nan 8.360 nan 0.000 0.414 642 P HA 0.007 nan 4.420 nan 0.000 0.227 642 P C 0.233 177.758 177.300 0.374 0.000 1.161 642 P CA 0.524 63.787 63.100 0.273 0.000 0.788 642 P CB 0.583 32.411 31.700 0.212 0.000 0.822 643 S N -0.762 115.183 115.700 0.409 0.000 2.570 643 S HA 0.328 4.797 4.470 -0.003 0.000 0.286 643 S C 0.770 175.602 174.600 0.386 0.000 1.099 643 S CA -0.326 58.094 58.200 0.366 0.000 0.913 643 S CB 1.862 65.212 63.200 0.251 0.000 1.085 643 S HN 0.076 nan 8.310 nan 0.000 0.480 644 S N -0.035 115.733 115.700 0.114 0.000 2.517 644 S HA 0.344 4.812 4.470 -0.003 0.000 0.214 644 S C 0.616 175.171 174.600 -0.075 0.000 0.991 644 S CA -0.085 57.998 58.200 -0.195 0.000 0.906 644 S CB 0.166 62.985 63.200 -0.635 0.000 0.789 644 S HN 0.434 nan 8.310 nan 0.000 0.513 645 S N -0.205 115.497 115.700 0.002 0.000 2.685 645 S HA 0.750 5.218 4.470 -0.003 0.000 0.282 645 S C -1.383 173.276 174.600 0.099 0.000 1.159 645 S CA -0.506 57.737 58.200 0.072 0.000 0.833 645 S CB 2.068 65.293 63.200 0.042 0.000 1.151 645 S HN 0.314 nan 8.310 nan 0.000 0.485 646 S N 0.212 115.975 115.700 0.105 0.000 2.568 646 S HA 0.469 4.937 4.470 -0.003 0.000 0.293 646 S C 0.769 175.339 174.600 -0.051 0.000 1.089 646 S CA -0.327 57.930 58.200 0.094 0.000 0.945 646 S CB 1.516 64.847 63.200 0.219 0.000 1.077 646 S HN 0.786 nan 8.310 nan 0.000 0.485 647 V N 4.549 124.273 119.914 -0.318 0.000 2.720 647 V HA -0.023 4.096 4.120 -0.003 0.000 0.256 647 V C 1.175 176.931 176.094 -0.564 0.000 1.082 647 V CA 2.000 63.948 62.300 -0.587 0.000 1.101 647 V CB -0.899 30.141 31.823 -1.305 0.000 0.693 647 V HN 0.854 nan 8.190 nan 0.000 0.479 648 F N 0.348 120.177 119.950 -0.201 0.000 2.367 648 F HA 0.078 4.604 4.527 -0.003 0.000 0.298 648 F C 2.142 177.856 175.800 -0.144 0.000 1.094 648 F CA 1.181 59.057 58.000 -0.207 0.000 1.409 648 F CB -0.861 37.990 39.000 -0.247 0.000 1.064 648 F HN 0.195 nan 8.300 nan 0.000 0.528 649 N N 0.519 119.265 118.700 0.076 0.000 2.258 649 N HA -0.231 4.507 4.740 -0.003 0.000 0.187 649 N C 1.810 177.333 175.510 0.023 0.000 1.012 649 N CA 1.136 54.216 53.050 0.049 0.000 0.870 649 N CB -0.379 38.164 38.487 0.093 0.000 0.977 649 N HN 0.280 nan 8.380 nan 0.000 0.434 650 Q N 1.044 120.862 119.800 0.029 0.000 1.975 650 Q HA -0.041 4.298 4.340 -0.003 0.000 0.205 650 Q C 1.186 177.185 176.000 -0.002 0.000 0.990 650 Q CA 1.688 57.526 55.803 0.057 0.000 0.845 650 Q CB -0.556 28.240 28.738 0.096 0.000 0.913 650 Q HN 0.289 nan 8.270 nan 0.000 0.420 651 N N 0.373 119.055 118.700 -0.030 0.000 2.550 651 N HA -0.055 4.683 4.740 -0.003 0.000 0.186 651 N C -0.600 174.920 175.510 0.015 0.000 1.110 651 N CA 0.925 53.963 53.050 -0.019 0.000 0.912 651 N CB 0.158 38.607 38.487 -0.064 0.000 0.968 651 N HN 0.286 nan 8.380 nan 0.000 0.448 652 D N -0.859 119.517 120.400 -0.040 0.000 2.527 652 D HA 0.151 4.789 4.640 -0.003 0.000 0.242 652 D C -2.190 174.051 176.300 -0.098 0.000 1.285 652 D CA -1.360 52.665 54.000 0.042 0.000 0.886 652 D CB 1.357 42.199 40.800 0.070 0.000 1.402 652 D HN -0.011 nan 8.370 nan 0.000 0.528 653 P HA 0.040 nan 4.420 nan 0.000 0.240 653 P C 1.447 178.526 177.300 -0.369 0.000 1.190 653 P CA 0.114 62.962 63.100 -0.420 0.000 0.781 653 P CB 0.242 31.604 31.700 -0.563 0.000 0.931 654 W N 1.370 122.649 121.300 -0.036 0.000 2.381 654 W HA 0.140 4.798 4.660 -0.003 0.000 0.301 654 W C 1.013 177.512 176.519 -0.032 0.000 1.205 654 W CA 0.804 58.126 57.345 -0.039 0.000 1.285 654 W CB -0.836 28.621 29.460 -0.005 0.000 1.133 654 W HN -0.037 nan 8.180 nan 0.000 0.521 655 A N 0.957 123.906 122.820 0.215 0.000 2.938 655 A HA 0.494 4.813 4.320 -0.003 0.000 0.344 655 A C -2.520 175.096 177.584 0.054 0.000 1.142 655 A CA -1.259 50.851 52.037 0.122 0.000 0.841 655 A CB -0.290 18.799 19.000 0.147 0.000 1.083 655 A HN -0.265 nan 8.150 nan 0.000 0.479 656 P HA 0.039 nan 4.420 nan 0.000 0.261 656 P C 0.989 178.305 177.300 0.026 0.000 1.173 656 P CA 0.584 63.687 63.100 0.006 0.000 0.760 656 P CB 0.724 32.419 31.700 -0.009 0.000 0.783 657 T N 0.747 115.315 114.554 0.023 0.000 2.985 657 T HA 0.051 4.399 4.350 -0.003 0.000 0.266 657 T C 0.650 175.410 174.700 0.100 0.000 1.076 657 T CA 0.888 62.979 62.100 -0.014 0.000 1.135 657 T CB 0.117 68.934 68.868 -0.085 0.000 0.890 657 T HN 0.185 nan 8.240 nan 0.000 0.480 658 V N 2.041 122.027 119.914 0.121 0.000 2.532 658 V HA 0.353 4.472 4.120 -0.003 0.000 0.294 658 V C -1.563 174.597 176.094 0.109 0.000 1.036 658 V CA -1.279 61.124 62.300 0.171 0.000 0.876 658 V CB 1.906 33.860 31.823 0.219 0.000 1.012 658 V HN 0.164 nan 8.190 nan 0.000 0.432 659 D N 3.066 123.516 120.400 0.084 0.000 2.392 659 D HA 0.289 4.928 4.640 -0.003 0.000 0.228 659 D C 0.629 176.866 176.300 -0.105 0.000 1.074 659 D CA -0.527 53.481 54.000 0.013 0.000 0.838 659 D CB 1.104 41.905 40.800 0.003 0.000 1.067 659 D HN 0.316 nan 8.370 nan 0.000 0.511 660 F N 3.040 122.767 119.950 -0.372 0.000 2.202 660 F HA -0.167 4.359 4.527 -0.003 0.000 0.301 660 F C 1.942 177.364 175.800 -0.629 0.000 1.082 660 F CA 1.300 58.796 58.000 -0.839 0.000 1.313 660 F CB -0.177 38.511 39.000 -0.521 0.000 1.024 660 F HN 0.339 nan 8.300 nan 0.000 0.495 661 S N -0.192 115.261 115.700 -0.412 0.000 2.469 661 S HA -0.156 4.312 4.470 -0.003 0.000 0.238 661 S C 1.066 175.516 174.600 -0.249 0.000 0.998 661 S CA 1.153 59.154 58.200 -0.333 0.000 0.957 661 S CB -0.434 62.722 63.200 -0.072 0.000 0.764 661 S HN 0.413 nan 8.310 nan 0.000 0.514 662 D N 0.333 120.643 120.400 -0.149 0.000 2.336 662 D HA 0.105 4.743 4.640 -0.003 0.000 0.229 662 D C 0.502 176.917 176.300 0.192 0.000 1.061 662 D CA 0.297 54.319 54.000 0.036 0.000 0.875 662 D CB -0.100 40.763 40.800 0.106 0.000 0.904 662 D HN 0.317 nan 8.370 nan 0.000 0.525 663 F N 0.044 119.781 119.950 -0.355 0.000 2.714 663 F HA 0.297 4.822 4.527 -0.003 0.000 0.294 663 F C 0.912 176.539 175.800 -0.288 0.000 1.120 663 F CA -0.590 57.210 58.000 -0.333 0.000 1.398 663 F CB 0.066 38.734 39.000 -0.553 0.000 1.120 663 F HN -0.136 nan 8.300 nan 0.000 0.589 664 I N 2.402 122.889 120.570 -0.138 0.000 2.307 664 I HA 0.219 4.387 4.170 -0.003 0.000 0.287 664 I C -0.927 175.148 176.117 -0.070 0.000 1.054 664 I CA -0.424 60.799 61.300 -0.129 0.000 1.218 664 I CB 0.151 38.030 38.000 -0.201 0.000 1.398 664 I HN 0.019 nan 8.210 nan 0.000 0.475 665 N N 3.979 122.651 118.700 -0.047 0.000 2.525 665 N HA 0.296 5.035 4.740 -0.003 0.000 0.270 665 N C -0.861 174.629 175.510 -0.034 0.000 1.321 665 N CA -1.048 51.980 53.050 -0.036 0.000 0.797 665 N CB 0.348 38.817 38.487 -0.030 0.000 1.529 665 N HN 0.136 nan 8.380 nan 0.000 0.491 666 N N 0.935 119.617 118.700 -0.030 0.000 2.411 666 N HA 0.038 4.776 4.740 -0.003 0.000 0.282 666 N C -0.889 174.602 175.510 -0.033 0.000 1.322 666 N CA 0.685 53.717 53.050 -0.030 0.000 0.943 666 N CB -0.316 38.156 38.487 -0.025 0.000 1.266 666 N HN 0.518 nan 8.380 nan 0.000 0.486 667 E N -0.205 119.972 120.200 -0.038 0.000 2.366 667 E HA 0.148 4.497 4.350 -0.003 0.000 0.278 667 E C -0.783 175.784 176.600 -0.054 0.000 0.923 667 E CA -0.733 55.641 56.400 -0.044 0.000 0.761 667 E CB 1.856 31.529 29.700 -0.045 0.000 1.231 667 E HN 0.173 nan 8.360 nan 0.000 0.443 668 T N 1.650 116.164 114.554 -0.067 0.000 2.794 668 T HA 0.346 4.695 4.350 -0.003 0.000 0.296 668 T C 0.466 175.090 174.700 -0.127 0.000 0.949 668 T CA -0.389 61.658 62.100 -0.088 0.000 1.101 668 T CB -0.041 68.774 68.868 -0.089 0.000 0.905 668 T HN 0.467 nan 8.240 nan 0.000 0.516 669 I N 2.879 123.366 120.570 -0.138 0.000 3.266 669 I HA 0.669 4.838 4.170 -0.003 0.000 0.346 669 I C 0.085 176.030 176.117 -0.287 0.000 1.458 669 I CA -0.997 60.200 61.300 -0.173 0.000 0.997 669 I CB 0.093 38.038 38.000 -0.092 0.000 1.733 669 I HN 0.543 nan 8.210 nan 0.000 0.507 670 A N 1.866 124.443 122.820 -0.405 0.000 2.646 670 A HA 0.699 5.017 4.320 -0.003 0.000 0.312 670 A C 0.841 177.712 177.584 -1.189 0.000 1.245 670 A CA 0.045 51.663 52.037 -0.697 0.000 0.755 670 A CB 0.258 19.164 19.000 -0.157 0.000 1.132 670 A HN 1.085 nan 8.150 nan 0.000 0.458 671 G N 1.119 108.628 108.800 -2.153 0.000 2.131 671 G HA2 -0.172 3.786 3.960 -0.003 0.000 0.223 671 G HA3 -0.172 3.786 3.960 -0.003 0.000 0.223 671 G C 0.130 174.542 174.900 -0.813 0.000 0.990 671 G CA 0.253 44.166 45.100 -1.979 0.000 0.671 671 G HN 0.612 nan 8.290 nan 0.000 0.521 672 K N 0.085 120.122 120.400 -0.604 0.000 2.288 672 K HA 0.483 4.801 4.320 -0.003 0.000 0.234 672 K C -0.594 175.865 176.600 -0.234 0.000 1.037 672 K CA -0.899 55.197 56.287 -0.319 0.000 0.914 672 K CB 0.726 33.083 32.500 -0.239 0.000 1.197 672 K HN 0.104 nan 8.250 nan 0.000 0.471 673 D N 1.912 122.224 120.400 -0.147 0.000 2.352 673 D HA 0.193 4.831 4.640 -0.003 0.000 0.245 673 D C -0.456 175.789 176.300 -0.092 0.000 1.224 673 D CA -0.073 53.866 54.000 -0.103 0.000 0.879 673 D CB -0.014 40.733 40.800 -0.089 0.000 1.057 673 D HN 0.266 nan 8.370 nan 0.000 0.491 674 L N 2.591 123.766 121.223 -0.081 0.000 2.358 674 L HA 0.646 4.985 4.340 -0.003 0.000 0.268 674 L C 0.014 176.839 176.870 -0.075 0.000 1.032 674 L CA -1.238 53.564 54.840 -0.064 0.000 0.805 674 L CB 1.871 43.896 42.059 -0.058 0.000 1.253 674 L HN 0.120 nan 8.230 nan 0.000 0.452 675 V N 0.549 120.403 119.914 -0.101 0.000 2.777 675 V HA 0.795 4.914 4.120 -0.003 0.000 0.306 675 V C -0.726 175.156 176.094 -0.353 0.000 1.112 675 V CA -0.270 61.870 62.300 -0.267 0.000 0.917 675 V CB 1.804 33.406 31.823 -0.369 0.000 1.018 675 V HN 0.878 nan 8.190 nan 0.000 0.426 676 A N 5.710 128.303 122.820 -0.378 0.000 2.295 676 A HA 0.863 5.181 4.320 -0.003 0.000 0.318 676 A C -1.374 175.930 177.584 -0.467 0.000 1.134 676 A CA -0.510 51.367 52.037 -0.266 0.000 0.827 676 A CB 0.804 19.705 19.000 -0.165 0.000 1.136 676 A HN 0.986 nan 8.150 nan 0.000 0.493 677 W N 1.757 123.078 121.300 0.034 0.000 2.393 677 W HA 0.522 5.181 4.660 -0.003 0.000 0.315 677 W C -0.862 175.698 176.519 0.068 0.000 1.009 677 W CA -0.509 56.840 57.345 0.006 0.000 1.313 677 W CB 1.746 31.364 29.460 0.264 0.000 1.269 677 W HN 0.432 nan 8.180 nan 0.000 0.420 678 V N 3.053 123.034 119.914 0.113 0.000 2.483 678 V HA 0.594 4.713 4.120 -0.003 0.000 0.295 678 V C 0.005 176.381 176.094 0.470 0.000 1.035 678 V CA -0.689 61.688 62.300 0.128 0.000 0.896 678 V CB 1.618 33.184 31.823 -0.428 0.000 0.986 678 V HN 0.449 nan 8.190 nan 0.000 0.447 679 T N 3.914 118.735 114.554 0.445 0.000 2.786 679 T HA 0.751 5.100 4.350 -0.003 0.000 0.283 679 T C -0.101 174.842 174.700 0.405 0.000 0.992 679 T CA -0.300 62.095 62.100 0.491 0.000 0.954 679 T CB 1.514 70.653 68.868 0.453 0.000 0.934 679 T HN 0.965 nan 8.240 nan 0.000 0.440 680 A N 2.383 125.491 122.820 0.480 0.000 2.380 680 A HA 1.070 5.388 4.320 -0.003 0.000 0.315 680 A C 0.237 178.102 177.584 0.467 0.000 1.101 680 A CA -0.529 51.753 52.037 0.408 0.000 0.771 680 A CB 1.682 20.957 19.000 0.459 0.000 1.287 680 A HN 1.224 nan 8.150 nan 0.000 0.436 681 G N -0.666 108.359 108.800 0.376 0.000 2.342 681 G HA2 0.708 4.667 3.960 -0.003 0.000 0.297 681 G HA3 0.708 4.667 3.960 -0.003 0.000 0.297 681 G C -1.192 173.979 174.900 0.451 0.000 1.313 681 G CA 0.134 45.496 45.100 0.436 0.000 0.830 681 G HN 2.105 nan 8.290 nan 0.000 0.506 682 F N -2.072 117.993 119.950 0.191 0.000 2.769 682 F HA 0.692 5.218 4.527 -0.003 0.000 0.313 682 F C -1.486 174.412 175.800 0.163 0.000 1.146 682 F CA -1.401 56.716 58.000 0.195 0.000 0.934 682 F CB 1.131 40.278 39.000 0.245 0.000 1.283 682 F HN 0.719 nan 8.300 nan 0.000 0.443 683 L N 2.682 124.004 121.223 0.166 0.000 2.349 683 L HA 0.442 4.781 4.340 -0.003 0.000 0.275 683 L C -0.762 176.169 176.870 0.101 0.000 1.115 683 L CA 0.173 55.013 54.840 -0.001 0.000 0.820 683 L CB 0.660 42.732 42.059 0.022 0.000 1.135 683 L HN 0.845 nan 8.230 nan 0.000 0.445 684 H N 5.806 124.703 119.070 -0.289 0.000 2.792 684 H HA 0.412 4.966 4.556 -0.003 0.000 0.298 684 H C -0.998 174.117 175.328 -0.356 0.000 1.042 684 H CA -0.903 55.000 56.048 -0.241 0.000 1.300 684 H CB 0.779 30.345 29.762 -0.327 0.000 1.431 684 H HN 0.629 nan 8.280 nan 0.000 0.496 685 I N 7.916 128.542 120.570 0.093 0.000 2.291 685 I HA 0.192 4.360 4.170 -0.003 0.000 0.290 685 I C -2.143 174.016 176.117 0.069 0.000 1.050 685 I CA -2.012 59.278 61.300 -0.016 0.000 1.245 685 I CB 1.129 39.149 38.000 0.033 0.000 1.405 685 I HN 0.468 nan 8.210 nan 0.000 0.478 686 P HA 0.032 nan 4.420 nan 0.000 0.269 686 P C -1.225 176.081 177.300 0.011 0.000 1.211 686 P CA 0.456 63.460 63.100 -0.160 0.000 0.781 686 P CB 0.354 31.949 31.700 -0.175 0.000 0.877 687 H N -1.740 117.364 119.070 0.057 0.000 3.014 687 H HA 0.639 5.193 4.556 -0.003 0.000 0.337 687 H C 0.810 176.156 175.328 0.030 0.000 1.320 687 H CA -0.608 55.459 56.048 0.031 0.000 1.128 687 H CB 0.067 29.846 29.762 0.029 0.000 1.862 687 H HN 0.256 nan 8.280 nan 0.000 0.536 688 A N 1.034 123.964 122.820 0.184 0.000 1.906 688 A HA -0.332 3.986 4.320 -0.003 0.000 0.222 688 A C 1.653 179.302 177.584 0.109 0.000 1.282 688 A CA 2.268 54.372 52.037 0.112 0.000 0.675 688 A CB -1.039 18.016 19.000 0.091 0.000 0.838 688 A HN 0.852 nan 8.150 nan 0.000 0.469 689 E N 0.029 120.359 120.200 0.217 0.000 2.428 689 E HA -0.072 4.276 4.350 -0.003 0.000 0.199 689 E C -0.419 176.199 176.600 0.031 0.000 1.172 689 E CA 0.801 57.287 56.400 0.142 0.000 0.941 689 E CB -0.395 29.414 29.700 0.182 0.000 1.001 689 E HN 0.570 nan 8.360 nan 0.000 0.501 690 D N 0.404 120.769 120.400 -0.059 0.000 2.395 690 D HA 0.165 4.804 4.640 -0.003 0.000 0.213 690 D C -0.030 176.230 176.300 -0.067 0.000 1.110 690 D CA -0.111 53.824 54.000 -0.108 0.000 0.835 690 D CB 0.609 41.316 40.800 -0.156 0.000 0.965 690 D HN 0.150 nan 8.370 nan 0.000 0.505 691 I N 2.285 122.834 120.570 -0.035 0.000 2.406 691 I HA 0.190 4.358 4.170 -0.003 0.000 0.290 691 I C -1.248 174.856 176.117 -0.021 0.000 0.999 691 I CA -1.984 59.305 61.300 -0.018 0.000 1.124 691 I CB 1.642 39.648 38.000 0.010 0.000 1.289 691 I HN -0.265 nan 8.210 nan 0.000 0.441 692 P HA -0.030 nan 4.420 nan 0.000 0.215 692 P C 0.202 177.334 177.300 -0.279 0.000 1.157 692 P CA 0.996 64.054 63.100 -0.069 0.000 0.856 692 P CB 0.680 32.354 31.700 -0.044 0.000 0.786 693 N N -0.725 117.776 118.700 -0.331 0.000 2.477 693 N HA 0.248 4.987 4.740 -0.003 0.000 0.284 693 N C -0.474 174.911 175.510 -0.209 0.000 1.182 693 N CA -0.456 52.366 53.050 -0.381 0.000 0.949 693 N CB 1.072 39.320 38.487 -0.398 0.000 1.204 693 N HN -0.127 nan 8.380 nan 0.000 0.526 694 T N 0.911 115.354 114.554 -0.185 0.000 2.856 694 T HA 0.226 4.574 4.350 -0.003 0.000 0.292 694 T C 0.616 175.229 174.700 -0.145 0.000 0.980 694 T CA -0.738 61.288 62.100 -0.123 0.000 1.091 694 T CB 0.853 69.683 68.868 -0.063 0.000 0.936 694 T HN 0.279 nan 8.240 nan 0.000 0.503 695 V N 1.662 121.504 119.914 -0.119 0.000 3.336 695 V HA 0.443 4.561 4.120 -0.003 0.000 0.304 695 V C 1.390 177.409 176.094 -0.126 0.000 1.073 695 V CA -0.064 62.166 62.300 -0.116 0.000 1.074 695 V CB 0.437 32.212 31.823 -0.080 0.000 1.161 695 V HN 1.000 nan 8.190 nan 0.000 0.460 696 T N -1.794 112.692 114.554 -0.113 0.000 3.037 696 T HA 0.103 4.451 4.350 -0.003 0.000 0.251 696 T C 0.733 175.424 174.700 -0.015 0.000 1.079 696 T CA 0.608 62.675 62.100 -0.056 0.000 1.067 696 T CB -0.290 68.495 68.868 -0.139 0.000 0.948 696 T HN 1.439 nan 8.240 nan 0.000 0.496 697 V N 0.968 120.848 119.914 -0.056 0.000 2.506 697 V HA 0.503 4.622 4.120 -0.003 0.000 0.296 697 V C 1.539 177.580 176.094 -0.089 0.000 1.004 697 V CA 0.233 62.501 62.300 -0.052 0.000 1.150 697 V CB -0.672 31.119 31.823 -0.053 0.000 0.911 697 V HN 0.845 nan 8.190 nan 0.000 0.476 698 G N 4.393 113.140 108.800 -0.087 0.000 2.328 698 G HA2 -0.330 3.628 3.960 -0.003 0.000 0.256 698 G HA3 -0.330 3.628 3.960 -0.003 0.000 0.256 698 G C 0.619 175.387 174.900 -0.221 0.000 1.014 698 G CA 0.534 45.563 45.100 -0.119 0.000 0.620 698 G HN 0.808 nan 8.290 nan 0.000 0.530 699 N N 1.622 120.130 118.700 -0.319 0.000 2.383 699 N HA 0.199 4.937 4.740 -0.003 0.000 0.192 699 N C 1.092 176.150 175.510 -0.754 0.000 1.141 699 N CA 0.927 53.603 53.050 -0.622 0.000 0.851 699 N CB 0.311 38.495 38.487 -0.504 0.000 0.976 699 N HN 0.645 nan 8.380 nan 0.000 0.465 700 G N 1.217 109.605 108.800 -0.687 0.000 2.475 700 G HA2 0.429 4.388 3.960 -0.003 0.000 0.322 700 G HA3 0.429 4.388 3.960 -0.003 0.000 0.322 700 G C 0.439 174.782 174.900 -0.928 0.000 1.044 700 G CA -0.357 43.978 45.100 -1.275 0.000 1.047 700 G HN 0.019 nan 8.290 nan 0.000 0.436 701 V N 1.356 120.733 119.914 -0.895 0.000 3.211 701 V HA 1.070 5.189 4.120 -0.003 0.000 0.319 701 V C 0.782 176.626 176.094 -0.416 0.000 1.096 701 V CA 0.079 62.020 62.300 -0.597 0.000 1.029 701 V CB 1.280 32.807 31.823 -0.494 0.000 1.137 701 V HN 1.272 nan 8.190 nan 0.000 0.453 702 G N 0.316 108.949 108.800 -0.278 0.000 2.591 702 G HA2 0.489 4.448 3.960 -0.003 0.000 0.104 702 G HA3 0.489 4.448 3.960 -0.003 0.000 0.104 702 G C -1.089 173.711 174.900 -0.167 0.000 1.097 702 G CA 0.147 45.064 45.100 -0.305 0.000 1.076 702 G HN 2.043 nan 8.290 nan 0.000 0.485 703 F N -2.290 117.386 119.950 -0.456 0.000 2.978 703 F HA 0.835 5.361 4.527 -0.002 0.000 0.324 703 F C -2.142 173.336 175.800 -0.535 0.000 1.157 703 F CA -1.967 55.822 58.000 -0.352 0.000 0.879 703 F CB 0.754 39.617 39.000 -0.227 0.000 1.364 703 F HN 0.544 nan 8.300 nan 0.000 0.465 704 F N 1.297 121.343 119.950 0.159 0.000 2.577 704 F HA 0.763 5.288 4.527 -0.003 0.000 0.318 704 F C -0.820 175.065 175.800 0.140 0.000 1.065 704 F CA -0.951 57.072 58.000 0.037 0.000 0.929 704 F CB 2.349 41.315 39.000 -0.056 0.000 1.237 704 F HN 0.437 nan 8.300 nan 0.000 0.468 705 L N 4.145 125.572 121.223 0.340 0.000 2.353 705 L HA 0.569 4.907 4.340 -0.003 0.000 0.270 705 L C -0.885 176.230 176.870 0.408 0.000 1.003 705 L CA -0.609 54.445 54.840 0.357 0.000 0.862 705 L CB 1.165 43.377 42.059 0.255 0.000 1.221 705 L HN 0.583 nan 8.230 nan 0.000 0.430 706 R N 3.478 124.123 120.500 0.240 0.000 2.562 706 R HA 0.550 4.888 4.340 -0.003 0.000 0.298 706 R C -2.762 173.282 176.300 -0.426 0.000 0.961 706 R CA -2.048 54.043 56.100 -0.014 0.000 0.881 706 R CB 1.826 32.089 30.300 -0.061 0.000 1.159 706 R HN 0.209 nan 8.270 nan 0.000 0.450 707 P HA -0.049 nan 4.420 nan 0.000 0.271 707 P C -1.349 175.840 177.300 -0.186 0.000 1.216 707 P CA 0.103 62.663 63.100 -0.901 0.000 0.776 707 P CB 0.521 32.037 31.700 -0.307 0.000 0.881 708 Y N 3.506 123.664 120.300 -0.237 0.000 2.445 708 Y HA 0.207 4.756 4.550 -0.003 0.000 0.332 708 Y C 0.353 176.185 175.900 -0.113 0.000 1.037 708 Y CA -0.357 57.633 58.100 -0.184 0.000 1.296 708 Y CB 0.348 38.605 38.460 -0.339 0.000 1.099 708 Y HN 0.393 nan 8.280 nan 0.000 0.496 709 N N 3.364 121.909 118.700 -0.259 0.000 2.741 709 N HA -0.315 4.423 4.740 -0.003 0.000 0.251 709 N C 0.393 175.940 175.510 0.063 0.000 1.112 709 N CA 1.589 54.557 53.050 -0.136 0.000 0.750 709 N CB -1.655 36.676 38.487 -0.260 0.000 1.119 709 N HN 0.755 nan 8.380 nan 0.000 0.561 710 F N 0.198 120.127 119.950 -0.036 0.000 2.219 710 F HA 0.258 4.783 4.527 -0.003 0.000 0.294 710 F C 0.638 176.311 175.800 -0.212 0.000 1.086 710 F CA 0.630 58.579 58.000 -0.085 0.000 1.330 710 F CB 0.156 39.102 39.000 -0.089 0.000 1.047 710 F HN -0.059 nan 8.300 nan 0.000 0.495 711 F N 1.102 121.285 119.950 0.388 0.000 2.399 711 F HA 0.244 4.769 4.527 -0.003 0.000 0.328 711 F C 1.221 177.120 175.800 0.165 0.000 1.084 711 F CA -0.826 57.341 58.000 0.279 0.000 1.053 711 F CB 0.554 39.757 39.000 0.339 0.000 1.209 711 F HN -0.192 nan 8.300 nan 0.000 0.502 712 D N 0.778 121.364 120.400 0.309 0.000 2.363 712 D HA -0.010 4.628 4.640 -0.003 0.000 0.226 712 D C 0.123 176.666 176.300 0.406 0.000 1.020 712 D CA 0.752 54.929 54.000 0.294 0.000 0.892 712 D CB -0.052 40.801 40.800 0.089 0.000 0.900 712 D HN 0.724 nan 8.370 nan 0.000 0.531 713 E N -0.584 119.797 120.200 0.301 0.000 2.381 713 E HA -0.004 4.344 4.350 -0.003 0.000 0.281 713 E C -1.642 175.017 176.600 0.099 0.000 1.151 713 E CA -0.770 55.714 56.400 0.140 0.000 0.904 713 E CB 0.348 30.068 29.700 0.034 0.000 1.234 713 E HN -0.248 nan 8.360 nan 0.000 0.427 714 D N 3.457 123.858 120.400 0.002 0.000 2.376 714 D HA 0.030 4.668 4.640 -0.003 0.000 0.278 714 D C -0.969 175.315 176.300 -0.027 0.000 1.384 714 D CA -1.611 52.372 54.000 -0.029 0.000 1.033 714 D CB 0.884 41.663 40.800 -0.035 0.000 1.102 714 D HN 0.246 nan 8.370 nan 0.000 0.530 715 P HA -0.240 nan 4.420 nan 0.000 0.218 715 P C 1.182 178.527 177.300 0.075 0.000 1.146 715 P CA 1.059 64.189 63.100 0.051 0.000 0.813 715 P CB -0.099 31.593 31.700 -0.014 0.000 0.778 716 S N -1.206 114.523 115.700 0.048 0.000 2.493 716 S HA -0.190 4.278 4.470 -0.003 0.000 0.243 716 S C 1.771 176.381 174.600 0.015 0.000 0.991 716 S CA 0.417 58.653 58.200 0.059 0.000 0.957 716 S CB -1.746 61.487 63.200 0.055 0.000 0.756 716 S HN 0.055 nan 8.310 nan 0.000 0.521 717 F N 2.187 122.014 119.950 -0.206 0.000 2.161 717 F HA -0.017 4.509 4.527 -0.003 0.000 0.300 717 F C 1.273 176.903 175.800 -0.284 0.000 1.089 717 F CA 0.898 58.704 58.000 -0.324 0.000 1.282 717 F CB -0.523 38.140 39.000 -0.562 0.000 1.010 717 F HN 0.260 nan 8.300 nan 0.000 0.485 718 Y N 0.308 120.610 120.300 0.004 0.000 2.627 718 Y HA 0.179 4.728 4.550 -0.003 0.000 0.339 718 Y C 0.952 176.801 175.900 -0.084 0.000 1.137 718 Y CA -0.495 57.551 58.100 -0.090 0.000 1.361 718 Y CB -0.488 37.989 38.460 0.029 0.000 1.180 718 Y HN -0.096 nan 8.280 nan 0.000 0.512 719 S N 0.246 115.951 115.700 0.009 0.000 2.513 719 S HA 0.448 4.916 4.470 -0.003 0.000 0.276 719 S C 1.275 175.878 174.600 0.005 0.000 1.254 719 S CA -0.022 58.196 58.200 0.030 0.000 1.053 719 S CB 1.060 64.280 63.200 0.033 0.000 0.958 719 S HN 0.545 nan 8.310 nan 0.000 0.491 720 A N 4.213 127.048 122.820 0.025 0.000 1.858 720 A HA -0.082 4.236 4.320 -0.003 0.000 0.216 720 A C 1.640 179.239 177.584 0.025 0.000 1.190 720 A CA 1.803 53.851 52.037 0.018 0.000 0.617 720 A CB -0.766 18.249 19.000 0.025 0.000 0.827 720 A HN 0.870 nan 8.150 nan 0.000 0.443 721 D N 0.476 120.901 120.400 0.042 0.000 2.309 721 D HA -0.031 4.608 4.640 -0.003 0.000 0.212 721 D C 1.171 177.505 176.300 0.057 0.000 0.968 721 D CA 0.950 54.984 54.000 0.056 0.000 0.882 721 D CB -0.578 40.264 40.800 0.070 0.000 0.918 721 D HN 0.381 nan 8.370 nan 0.000 0.503 722 S N 0.098 115.815 115.700 0.030 0.000 2.558 722 S HA 0.070 4.538 4.470 -0.003 0.000 0.287 722 S C 0.127 174.753 174.600 0.044 0.000 1.321 722 S CA -0.185 58.024 58.200 0.014 0.000 1.048 722 S CB 0.312 63.473 63.200 -0.065 0.000 0.844 722 S HN 0.059 nan 8.310 nan 0.000 0.512 723 I N 3.445 124.061 120.570 0.077 0.000 2.646 723 I HA 0.551 4.720 4.170 -0.003 0.000 0.299 723 I C -1.069 175.138 176.117 0.150 0.000 1.036 723 I CA -0.858 60.531 61.300 0.149 0.000 1.074 723 I CB 2.003 40.145 38.000 0.236 0.000 1.258 723 I HN 0.828 nan 8.210 nan 0.000 0.430 724 Y N 6.690 127.010 120.300 0.035 0.000 2.558 724 Y HA 0.612 5.160 4.550 -0.003 0.000 0.333 724 Y C -1.514 174.465 175.900 0.131 0.000 1.125 724 Y CA -0.988 57.079 58.100 -0.055 0.000 1.039 724 Y CB 1.586 40.005 38.460 -0.069 0.000 1.331 724 Y HN 0.482 nan 8.280 nan 0.000 0.456 725 F N 0.960 120.476 119.950 -0.723 0.000 3.250 725 F HA 0.746 5.272 4.527 -0.003 0.000 0.326 725 F C -2.219 173.281 175.800 -0.500 0.000 1.154 725 F CA -1.777 55.953 58.000 -0.449 0.000 0.870 725 F CB 1.167 40.111 39.000 -0.095 0.000 1.476 725 F HN 0.365 nan 8.300 nan 0.000 0.491 726 R N 0.623 121.333 120.500 0.349 0.000 2.502 726 R HA 0.580 4.918 4.340 -0.003 0.000 0.300 726 R C 0.212 176.691 176.300 0.299 0.000 0.984 726 R CA -0.296 55.949 56.100 0.241 0.000 0.882 726 R CB 1.448 31.836 30.300 0.146 0.000 1.180 726 R HN 1.452 nan 8.270 nan 0.000 0.444 727 G N 2.718 111.681 108.800 0.272 0.000 4.315 727 G HA2 -0.316 3.642 3.960 -0.003 0.000 0.280 727 G HA3 -0.316 3.642 3.960 -0.003 0.000 0.280 727 G C -0.524 174.524 174.900 0.246 0.000 1.649 727 G CA 0.480 45.715 45.100 0.224 0.000 1.108 727 G HN 0.592 nan 8.290 nan 0.000 0.667 728 D N 0.345 120.803 120.400 0.098 0.000 2.419 728 D HA 0.830 5.468 4.640 -0.003 0.000 0.234 728 D C 0.167 176.218 176.300 -0.415 0.000 1.014 728 D CA 1.716 55.705 54.000 -0.018 0.000 0.919 728 D CB 1.556 42.340 40.800 -0.027 0.000 1.366 728 D HN 1.508 nan 8.370 nan 0.000 0.490 729 Q N 0.000 119.520 119.800 -0.467 0.000 2.315 729 Q HA 0.000 4.338 4.340 -0.003 0.000 0.214 729 Q CA 0.000 nan 55.803 nan 0.000 1.022 729 Q CB 0.000 nan 28.738 nan 0.000 1.108 729 Q HN 0.000 nan 8.270 nan 0.000 0.481