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 2vak_1_I DATA FIRST_RESID 4 DATA SEQUENCE ISEFGSTMAR AIYDFFSTPF GNRGLATNRT QLSSLLSSSN SPWQXXXXXX DATA SEQUENCE XXXXXXXIVS TPEAPYPGSL MYQESMLHSA TVPGVLGSRD AWRTFNVFGL DATA SEQUENCE SWTDEGLSGL VAAQDPPPAA PYQPASAQWS DLLNYPRWAN RRRELQSKYP DATA SEQUENCE LLLRSTLLSA MRAGPVLYVE TWPNMISGRL ADWFMSQYGN NFVDMCARLT DATA SEQUENCE QSCSNMPVEP DGNYDQQMRA LISLWLLSYI GVVNQTNTIS GFYFSSKTRG DATA SEQUENCE QALDSWTLFY TTNTNRVQIT QRHFAYVCAR SPDWNVDKSW IAAANLTAIV DATA SEQUENCE MACRQPPVFA NQGVINQAQN RPGFSMNGGT PVHELNLLTT AQECIRQWVM DATA SEQUENCE AGLVSAAKGQ ALTQEANDFS NLIQADLGQI KAQDDALYNQ QPGYARRIKP DATA SEQUENCE FVNGDWTPGM TAQALAVLAT FTA 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 4 I HA 0.000 nan 4.170 nan 0.000 0.288 4 I C 0.000 176.039 176.117 -0.129 0.000 1.063 4 I CA 0.000 61.223 61.300 -0.129 0.000 1.566 4 I CB 0.000 37.953 38.000 -0.079 0.000 1.214 5 S N 1.708 117.336 115.700 -0.120 0.000 2.562 5 S HA 0.099 4.569 4.470 0.000 0.000 0.281 5 S C 1.421 175.911 174.600 -0.183 0.000 1.333 5 S CA 0.536 58.669 58.200 -0.112 0.000 1.052 5 S CB 0.630 63.796 63.200 -0.057 0.000 0.884 5 S HN 0.437 nan 8.310 nan 0.000 0.506 6 E N 3.309 123.323 120.200 -0.310 0.000 2.333 6 E HA -0.136 4.214 4.350 0.000 0.000 0.198 6 E C 0.535 176.781 176.600 -0.589 0.000 1.007 6 E CA 1.398 57.491 56.400 -0.511 0.000 0.845 6 E CB -0.283 28.995 29.700 -0.703 0.000 0.766 6 E HN 0.755 nan 8.360 nan 0.000 0.507 7 F N 0.450 120.346 119.950 -0.090 0.000 2.717 7 F HA 0.384 4.912 4.527 0.000 0.000 0.295 7 F C 1.570 177.288 175.800 -0.137 0.000 1.117 7 F CA 0.507 58.443 58.000 -0.106 0.000 1.361 7 F CB 0.746 39.691 39.000 -0.093 0.000 1.112 7 F HN 0.252 nan 8.300 nan 0.000 0.594 8 G N 0.201 108.995 108.800 -0.011 0.000 2.512 8 G HA2 -0.214 3.746 3.960 0.000 0.000 0.240 8 G HA3 -0.214 3.746 3.960 0.000 0.000 0.240 8 G C -0.248 174.613 174.900 -0.065 0.000 1.246 8 G CA -0.292 44.764 45.100 -0.073 0.000 0.919 8 G HN 0.114 nan 8.290 nan 0.000 0.577 9 S N 0.844 116.501 115.700 -0.071 0.000 2.516 9 S HA 0.532 5.003 4.470 0.000 0.000 0.268 9 S C 1.164 175.725 174.600 -0.064 0.000 1.251 9 S CA 0.538 58.696 58.200 -0.070 0.000 1.153 9 S CB 1.094 64.257 63.200 -0.063 0.000 1.009 9 S HN 1.355 nan 8.310 nan 0.000 0.479 10 T N -0.440 114.075 114.554 -0.064 0.000 3.057 10 T HA 0.276 4.626 4.350 0.000 0.000 0.254 10 T C 0.676 175.329 174.700 -0.080 0.000 1.094 10 T CA 0.092 62.146 62.100 -0.077 0.000 1.088 10 T CB -0.166 68.650 68.868 -0.087 0.000 0.934 10 T HN 0.393 nan 8.240 nan 0.000 0.497 11 M N 2.446 122.001 119.600 -0.075 0.000 2.188 11 M HA 0.487 4.967 4.480 0.000 0.000 0.354 11 M C 0.590 176.848 176.300 -0.070 0.000 1.342 11 M CA -0.601 54.656 55.300 -0.073 0.000 1.117 11 M CB 0.680 33.238 32.600 -0.070 0.000 1.670 11 M HN 0.300 nan 8.290 nan 0.000 0.466 12 A N 3.581 126.361 122.820 -0.066 0.000 2.520 12 A HA 0.167 4.487 4.320 0.000 0.000 0.235 12 A C 0.210 177.745 177.584 -0.081 0.000 1.065 12 A CA -0.193 51.807 52.037 -0.061 0.000 0.764 12 A CB 0.163 19.135 19.000 -0.046 0.000 1.002 12 A HN 0.882 nan 8.150 nan 0.000 0.502 13 R N 1.362 121.799 120.500 -0.106 0.000 2.570 13 R HA 0.324 4.664 4.340 0.000 0.000 0.277 13 R C 0.497 176.657 176.300 -0.234 0.000 1.039 13 R CA 1.306 57.276 56.100 -0.218 0.000 1.065 13 R CB 0.308 30.429 30.300 -0.298 0.000 0.964 13 R HN 0.872 nan 8.270 nan 0.000 0.428 14 A N 5.024 127.679 122.820 -0.275 0.000 2.425 14 A HA 0.322 4.642 4.320 0.000 0.000 0.201 14 A C 0.060 177.541 177.584 -0.172 0.000 1.431 14 A CA -0.312 51.644 52.037 -0.134 0.000 1.066 14 A CB 0.228 19.195 19.000 -0.056 0.000 1.318 14 A HN 0.575 nan 8.150 nan 0.000 0.534 15 I N 0.961 121.338 120.570 -0.321 0.000 2.355 15 I HA 0.309 4.479 4.170 0.000 0.000 0.288 15 I C -1.268 174.632 176.117 -0.362 0.000 0.999 15 I CA -0.550 60.634 61.300 -0.194 0.000 1.163 15 I CB 1.075 39.028 38.000 -0.078 0.000 1.316 15 I HN 0.226 nan 8.210 nan 0.000 0.454 16 Y N 4.086 124.326 120.300 -0.099 0.000 2.902 16 Y HA 0.294 4.844 4.550 0.000 0.000 0.353 16 Y C 0.045 176.023 175.900 0.129 0.000 1.116 16 Y CA -0.899 57.067 58.100 -0.224 0.000 1.222 16 Y CB 0.115 38.306 38.460 -0.447 0.000 1.302 16 Y HN 0.470 nan 8.280 nan 0.000 0.590 17 D N 1.409 122.036 120.400 0.379 0.000 2.312 17 D HA 0.251 4.891 4.640 0.000 0.000 0.248 17 D C -0.935 175.777 176.300 0.688 0.000 1.086 17 D CA -0.040 54.258 54.000 0.497 0.000 0.948 17 D CB 1.599 42.622 40.800 0.371 0.000 1.162 17 D HN 0.275 nan 8.370 nan 0.000 0.446 18 F N 1.661 121.905 119.950 0.489 0.000 2.569 18 F HA 0.491 5.018 4.527 0.000 0.000 0.312 18 F C -1.922 173.947 175.800 0.116 0.000 1.109 18 F CA -1.145 57.032 58.000 0.294 0.000 0.919 18 F CB 1.283 40.436 39.000 0.254 0.000 1.211 18 F HN 0.103 nan 8.300 nan 0.000 0.446 19 F N 5.134 124.310 119.950 -1.289 0.000 2.467 19 F HA 0.610 5.138 4.527 0.000 0.000 0.336 19 F C -0.403 174.600 175.800 -1.328 0.000 1.123 19 F CA -0.683 56.442 58.000 -1.459 0.000 0.964 19 F CB 1.511 39.401 39.000 -1.851 0.000 1.136 19 F HN 0.557 nan 8.300 nan 0.000 0.447 20 S N 3.075 117.971 115.700 -1.340 0.000 2.646 20 S HA 0.464 4.934 4.470 0.000 0.000 0.276 20 S C -0.232 173.913 174.600 -0.758 0.000 1.222 20 S CA -0.678 57.071 58.200 -0.753 0.000 1.014 20 S CB 0.971 64.076 63.200 -0.157 0.000 0.991 20 S HN 0.673 nan 8.310 nan 0.000 0.533 21 T N 4.316 118.686 114.554 -0.306 0.000 2.871 21 T HA 0.233 4.583 4.350 0.000 0.000 0.296 21 T C -2.404 172.198 174.700 -0.162 0.000 0.998 21 T CA -0.257 61.742 62.100 -0.168 0.000 1.162 21 T CB -0.234 68.609 68.868 -0.042 0.000 0.947 21 T HN 0.526 nan 8.240 nan 0.000 0.536 22 P HA 0.343 nan 4.420 nan 0.000 0.271 22 P C -0.645 176.668 177.300 0.021 0.000 1.216 22 P CA -0.275 62.724 63.100 -0.167 0.000 0.776 22 P CB 0.216 31.876 31.700 -0.068 0.000 0.881 23 F N -0.570 119.377 119.950 -0.005 0.000 2.685 23 F HA 0.832 5.359 4.527 0.000 0.000 0.315 23 F C 0.261 176.099 175.800 0.065 0.000 1.126 23 F CA -1.026 56.988 58.000 0.024 0.000 0.950 23 F CB 0.738 39.774 39.000 0.060 0.000 1.360 23 F HN 0.377 nan 8.300 nan 0.000 0.469 24 G N 0.417 109.519 108.800 0.502 0.000 2.882 24 G HA2 0.175 4.135 3.960 0.000 0.000 0.164 24 G HA3 0.175 4.135 3.960 0.000 0.000 0.164 24 G C -0.027 175.146 174.900 0.455 0.000 1.429 24 G CA -0.489 44.850 45.100 0.398 0.000 1.059 24 G HN 0.694 nan 8.290 nan 0.000 0.581 25 N N 0.186 119.091 118.700 0.342 0.000 2.494 25 N HA -0.017 4.723 4.740 0.000 0.000 0.182 25 N C 1.151 176.726 175.510 0.108 0.000 1.076 25 N CA 0.356 53.520 53.050 0.190 0.000 0.908 25 N CB 0.257 38.810 38.487 0.111 0.000 0.967 25 N HN 0.255 nan 8.380 nan 0.000 0.449 26 R N 0.681 121.224 120.500 0.071 0.000 2.586 26 R HA 0.318 4.658 4.340 0.000 0.000 0.336 26 R C 0.712 176.967 176.300 -0.076 0.000 1.060 26 R CA 0.091 56.097 56.100 -0.157 0.000 1.079 26 R CB 0.318 30.233 30.300 -0.641 0.000 1.317 26 R HN 0.186 nan 8.270 nan 0.000 0.568 27 G N 1.426 110.216 108.800 -0.017 0.000 2.760 27 G HA2 -0.285 3.675 3.960 0.000 0.000 0.246 27 G HA3 -0.285 3.675 3.960 0.000 0.000 0.246 27 G C -0.690 173.780 174.900 -0.716 0.000 1.359 27 G CA -0.677 44.145 45.100 -0.462 0.000 0.861 27 G HN 0.227 nan 8.290 nan 0.000 0.541 28 L N 0.905 121.492 121.223 -1.059 0.000 2.462 28 L HA 0.569 4.909 4.340 0.000 0.000 0.272 28 L C 1.609 178.435 176.870 -0.074 0.000 1.166 28 L CA 1.047 55.575 54.840 -0.519 0.000 0.880 28 L CB 0.634 42.556 42.059 -0.228 0.000 1.142 28 L HN 1.751 nan 8.230 nan 0.000 0.473 29 A N 3.971 126.809 122.820 0.031 0.000 2.958 29 A HA 0.348 4.668 4.320 0.000 0.000 0.247 29 A C 0.582 178.118 177.584 -0.080 0.000 1.679 29 A CA 0.420 52.520 52.037 0.105 0.000 1.345 29 A CB -0.931 18.099 19.000 0.049 0.000 1.013 29 A HN 0.798 nan 8.150 nan 0.000 0.641 30 T N -0.370 114.045 114.554 -0.231 0.000 2.831 30 T HA 0.644 4.994 4.350 0.000 0.000 0.287 30 T C -0.911 173.433 174.700 -0.593 0.000 1.070 30 T CA -0.262 61.585 62.100 -0.422 0.000 1.010 30 T CB 1.070 69.635 68.868 -0.504 0.000 1.264 30 T HN 0.745 nan 8.240 nan 0.000 0.532 31 N N -0.497 117.839 118.700 -0.607 0.000 3.020 31 N HA 0.343 5.083 4.740 0.000 0.000 0.248 31 N C 0.323 175.604 175.510 -0.383 0.000 1.480 31 N CA -0.969 51.770 53.050 -0.517 0.000 0.874 31 N CB 0.798 39.164 38.487 -0.201 0.000 1.433 31 N HN 0.504 nan 8.380 nan 0.000 0.530 32 R N -0.801 119.598 120.500 -0.169 0.000 2.127 32 R HA -0.084 4.256 4.340 0.000 0.000 0.238 32 R C 0.611 176.847 176.300 -0.107 0.000 1.134 32 R CA 2.315 58.363 56.100 -0.087 0.000 0.975 32 R CB -0.586 29.716 30.300 0.004 0.000 0.865 32 R HN 0.759 nan 8.270 nan 0.000 0.447 33 T N 0.393 114.884 114.554 -0.105 0.000 2.737 33 T HA -0.191 4.159 4.350 0.000 0.000 0.265 33 T C 1.692 176.323 174.700 -0.114 0.000 1.038 33 T CA 1.334 63.379 62.100 -0.092 0.000 1.144 33 T CB -0.193 68.629 68.868 -0.077 0.000 0.866 33 T HN 0.374 nan 8.240 nan 0.000 0.434 34 Q N 0.322 120.030 119.800 -0.154 0.000 2.050 34 Q HA -0.060 4.280 4.340 0.000 0.000 0.202 34 Q C 2.314 178.216 176.000 -0.164 0.000 0.980 34 Q CA 1.217 56.922 55.803 -0.163 0.000 0.840 34 Q CB -0.255 28.359 28.738 -0.207 0.000 0.898 34 Q HN 0.487 nan 8.270 nan 0.000 0.424 35 L N 0.008 121.113 121.223 -0.196 0.000 2.093 35 L HA -0.139 4.201 4.340 0.000 0.000 0.208 35 L C 2.486 179.269 176.870 -0.145 0.000 1.085 35 L CA 0.899 55.627 54.840 -0.186 0.000 0.755 35 L CB -0.289 41.645 42.059 -0.208 0.000 0.904 35 L HN 0.182 nan 8.230 nan 0.000 0.435 36 S N -0.078 115.550 115.700 -0.120 0.000 2.368 36 S HA -0.177 4.293 4.470 0.000 0.000 0.225 36 S C 2.109 176.659 174.600 -0.084 0.000 1.030 36 S CA 1.559 59.702 58.200 -0.095 0.000 0.999 36 S CB -0.319 62.837 63.200 -0.074 0.000 0.844 36 S HN 0.611 nan 8.310 nan 0.000 0.459 37 S N 1.448 117.098 115.700 -0.083 0.000 2.507 37 S HA 0.080 4.550 4.470 0.000 0.000 0.235 37 S C 1.389 175.948 174.600 -0.068 0.000 0.988 37 S CA 0.548 58.707 58.200 -0.068 0.000 0.944 37 S CB -0.551 62.609 63.200 -0.067 0.000 0.762 37 S HN 0.483 nan 8.310 nan 0.000 0.526 38 L N 0.399 121.569 121.223 -0.088 0.000 2.607 38 L HA 0.416 4.756 4.340 0.000 0.000 0.228 38 L C 0.310 177.130 176.870 -0.085 0.000 1.123 38 L CA -0.113 54.675 54.840 -0.088 0.000 0.890 38 L CB -0.167 41.821 42.059 -0.119 0.000 1.103 38 L HN 0.252 nan 8.230 nan 0.000 0.468 39 L N -0.275 120.899 121.223 -0.082 0.000 2.379 39 L HA 0.310 4.650 4.340 0.000 0.000 0.269 39 L C 0.977 177.821 176.870 -0.043 0.000 1.084 39 L CA -0.443 54.351 54.840 -0.077 0.000 0.802 39 L CB 1.489 43.496 42.059 -0.086 0.000 1.175 39 L HN 0.100 nan 8.230 nan 0.000 0.448 40 S N 0.115 115.799 115.700 -0.026 0.000 2.587 40 S HA -0.022 4.448 4.470 0.000 0.000 0.260 40 S C 1.138 175.738 174.600 -0.001 0.000 1.353 40 S CA -0.064 58.135 58.200 -0.003 0.000 0.995 40 S CB 0.969 64.181 63.200 0.019 0.000 0.912 40 S HN 0.743 nan 8.310 nan 0.000 0.568 41 S N -0.148 115.556 115.700 0.006 0.000 2.653 41 S HA 0.005 4.475 4.470 0.000 0.000 0.233 41 S C 1.076 175.684 174.600 0.014 0.000 0.970 41 S CA 0.404 58.608 58.200 0.007 0.000 0.947 41 S CB -0.973 62.232 63.200 0.008 0.000 0.771 41 S HN 1.192 nan 8.310 nan 0.000 0.538 42 S N 0.327 116.040 115.700 0.021 0.000 2.819 42 S HA 0.315 4.785 4.470 0.000 0.000 0.249 42 S C 0.163 174.785 174.600 0.036 0.000 1.030 42 S CA -0.342 57.877 58.200 0.031 0.000 1.052 42 S CB -0.315 62.910 63.200 0.042 0.000 1.017 42 S HN 0.363 nan 8.310 nan 0.000 0.576 43 N N 0.784 119.495 118.700 0.018 0.000 2.901 43 N HA -0.143 4.597 4.740 0.000 0.000 0.248 43 N C -0.293 175.221 175.510 0.006 0.000 1.044 43 N CA 1.191 54.243 53.050 0.005 0.000 0.847 43 N CB -1.944 36.553 38.487 0.016 0.000 1.127 43 N HN 0.639 nan 8.380 nan 0.000 0.562 44 S N 0.791 116.504 115.700 0.021 0.000 2.475 44 S HA 0.520 4.991 4.470 0.000 0.000 0.281 44 S C -1.501 173.036 174.600 -0.105 0.000 1.198 44 S CA -1.258 56.960 58.200 0.031 0.000 1.063 44 S CB 1.442 64.719 63.200 0.129 0.000 0.972 44 S HN -0.043 nan 8.310 nan 0.000 0.486 45 P HA 0.166 nan 4.420 nan 0.000 0.245 45 P C 0.230 177.257 177.300 -0.455 0.000 1.206 45 P CA 0.427 63.233 63.100 -0.491 0.000 0.781 45 P CB -0.063 31.205 31.700 -0.720 0.000 0.994 46 W N -0.691 120.693 121.300 0.140 0.000 2.640 46 W HA 0.210 4.870 4.660 0.000 0.000 0.271 46 W C 1.484 178.045 176.519 0.071 0.000 1.218 46 W CA -0.298 57.107 57.345 0.101 0.000 1.382 46 W CB -0.844 28.664 29.460 0.080 0.000 1.067 46 W HN -0.127 nan 8.180 nan 0.000 0.590 62 V N 5.035 124.952 119.914 0.006 0.000 3.021 62 V HA 0.307 4.427 4.120 0.000 0.000 0.385 62 V C 1.245 177.321 176.094 -0.029 0.000 1.303 62 V CA -0.031 62.265 62.300 -0.008 0.000 1.471 62 V CB -0.383 31.441 31.823 0.002 0.000 1.419 62 V HN 0.781 nan 8.190 nan 0.000 0.551 63 S N 1.155 116.820 115.700 -0.059 0.000 2.537 63 S HA 0.166 4.637 4.470 0.000 0.000 0.280 63 S C 0.372 174.930 174.600 -0.071 0.000 1.335 63 S CA 0.839 58.977 58.200 -0.103 0.000 1.025 63 S CB 0.468 63.578 63.200 -0.150 0.000 0.836 63 S HN 0.729 nan 8.310 nan 0.000 0.523 64 T N 3.900 118.409 114.554 -0.076 0.000 2.982 64 T HA 0.428 4.778 4.350 0.000 0.000 0.321 64 T C -2.063 172.607 174.700 -0.050 0.000 1.229 64 T CA -0.911 61.158 62.100 -0.050 0.000 1.044 64 T CB 1.812 70.658 68.868 -0.036 0.000 1.184 64 T HN 0.416 nan 8.240 nan 0.000 0.477 65 P HA -0.091 nan 4.420 nan 0.000 0.218 65 P C 0.769 178.060 177.300 -0.015 0.000 1.148 65 P CA 1.327 64.413 63.100 -0.022 0.000 0.822 65 P CB 0.452 32.145 31.700 -0.011 0.000 0.784 66 E N 0.115 120.300 120.200 -0.024 0.000 2.112 66 E HA 0.083 4.433 4.350 0.000 0.000 0.190 66 E C 1.133 177.719 176.600 -0.023 0.000 0.979 66 E CA 0.983 57.364 56.400 -0.032 0.000 0.814 66 E CB -0.383 29.291 29.700 -0.044 0.000 0.762 66 E HN 0.165 nan 8.360 nan 0.000 0.460 67 A N 1.106 123.914 122.820 -0.020 0.000 2.938 67 A HA 0.297 4.617 4.320 0.000 0.000 0.344 67 A C -1.996 175.574 177.584 -0.023 0.000 1.142 67 A CA -1.241 50.795 52.037 -0.001 0.000 0.841 67 A CB 0.335 19.335 19.000 0.000 0.000 1.083 67 A HN -0.059 nan 8.150 nan 0.000 0.479 68 P HA -0.103 nan 4.420 nan 0.000 0.220 68 P C -0.239 176.780 177.300 -0.469 0.000 1.148 68 P CA 1.465 64.446 63.100 -0.199 0.000 0.803 68 P CB 0.028 31.661 31.700 -0.112 0.000 0.782 69 Y N -2.476 117.810 120.300 -0.024 0.000 2.602 69 Y HA 0.353 4.903 4.550 0.000 0.000 0.342 69 Y C -1.434 174.454 175.900 -0.020 0.000 1.029 69 Y CA -2.557 55.522 58.100 -0.035 0.000 1.080 69 Y CB 0.180 38.579 38.460 -0.102 0.000 1.284 69 Y HN -0.348 nan 8.280 nan 0.000 0.485 70 P HA -0.174 nan 4.420 nan 0.000 0.215 70 P C 1.471 178.850 177.300 0.133 0.000 1.157 70 P CA 2.475 65.655 63.100 0.133 0.000 0.874 70 P CB 0.006 31.797 31.700 0.152 0.000 0.790 71 G N -1.111 107.718 108.800 0.047 0.000 2.527 71 G HA2 -0.218 3.742 3.960 0.000 0.000 0.219 71 G HA3 -0.218 3.742 3.960 0.000 0.000 0.219 71 G C 1.591 176.512 174.900 0.035 0.000 1.117 71 G CA 0.709 45.762 45.100 -0.078 0.000 0.759 71 G HN 0.215 nan 8.290 nan 0.000 0.556 72 S N 0.072 115.818 115.700 0.076 0.000 2.368 72 S HA 0.023 4.494 4.470 0.000 0.000 0.224 72 S C 2.257 176.945 174.600 0.147 0.000 1.029 72 S CA 0.569 58.846 58.200 0.128 0.000 0.988 72 S CB -0.141 63.126 63.200 0.111 0.000 0.838 72 S HN 0.371 nan 8.310 nan 0.000 0.462 73 L N 0.743 122.036 121.223 0.116 0.000 2.093 73 L HA -0.051 4.289 4.340 0.000 0.000 0.208 73 L C 2.523 179.452 176.870 0.099 0.000 1.085 73 L CA 0.902 55.790 54.840 0.079 0.000 0.755 73 L CB -0.490 41.604 42.059 0.059 0.000 0.904 73 L HN 0.330 nan 8.230 nan 0.000 0.435 74 M N -1.313 118.399 119.600 0.187 0.000 2.080 74 M HA -0.279 4.201 4.480 0.000 0.000 0.260 74 M C 2.473 178.895 176.300 0.204 0.000 1.068 74 M CA 2.076 57.507 55.300 0.217 0.000 1.109 74 M CB -0.525 32.287 32.600 0.354 0.000 1.342 74 M HN 0.204 nan 8.290 nan 0.000 0.405 75 Y N 1.074 121.464 120.300 0.151 0.000 2.200 75 Y HA -0.225 4.325 4.550 0.000 0.000 0.290 75 Y C 2.309 178.221 175.900 0.020 0.000 1.137 75 Y CA 1.745 59.911 58.100 0.109 0.000 1.163 75 Y CB -0.401 38.142 38.460 0.138 0.000 0.988 75 Y HN 0.265 nan 8.280 nan 0.000 0.518 76 Q N -0.145 119.609 119.800 -0.077 0.000 2.119 76 Q HA -0.182 4.159 4.340 0.000 0.000 0.201 76 Q C 2.017 177.863 176.000 -0.256 0.000 0.972 76 Q CA 1.772 57.453 55.803 -0.203 0.000 0.847 76 Q CB -0.119 28.565 28.738 -0.089 0.000 0.903 76 Q HN 0.611 nan 8.270 nan 0.000 0.433 77 E N 0.272 120.341 120.200 -0.219 0.000 2.204 77 E HA -0.138 4.212 4.350 0.000 0.000 0.194 77 E C 2.109 178.353 176.600 -0.593 0.000 0.989 77 E CA 1.122 57.295 56.400 -0.378 0.000 0.824 77 E CB 0.018 29.553 29.700 -0.274 0.000 0.756 77 E HN 0.280 nan 8.360 nan 0.000 0.477 78 S N 0.623 116.133 115.700 -0.317 0.000 2.406 78 S HA -0.117 4.353 4.470 0.000 0.000 0.228 78 S C 2.043 176.563 174.600 -0.133 0.000 1.020 78 S CA 0.669 58.773 58.200 -0.160 0.000 0.965 78 S CB -0.133 63.033 63.200 -0.056 0.000 0.798 78 S HN 0.149 nan 8.310 nan 0.000 0.488 79 M N 0.405 119.837 119.600 -0.280 0.000 2.229 79 M HA 0.092 4.573 4.480 0.000 0.000 0.264 79 M C 2.230 178.474 176.300 -0.093 0.000 1.063 79 M CA 1.112 56.291 55.300 -0.202 0.000 1.114 79 M CB -0.438 31.960 32.600 -0.336 0.000 1.387 79 M HN 0.445 nan 8.290 nan 0.000 0.420 80 L N -0.473 120.646 121.223 -0.172 0.000 2.109 80 L HA -0.123 4.217 4.340 0.000 0.000 0.207 80 L C 2.096 179.004 176.870 0.063 0.000 1.086 80 L CA 1.867 56.640 54.840 -0.113 0.000 0.760 80 L CB -0.505 41.424 42.059 -0.216 0.000 0.910 80 L HN 0.269 nan 8.230 nan 0.000 0.437 81 H N -1.360 117.749 119.070 0.064 0.000 2.353 81 H HA -0.089 4.467 4.556 0.000 0.000 0.300 81 H C 2.159 177.571 175.328 0.140 0.000 1.090 81 H CA 1.071 57.172 56.048 0.088 0.000 1.327 81 H CB 0.005 29.870 29.762 0.172 0.000 1.383 81 H HN 0.363 nan 8.280 nan 0.000 0.508 82 S N 0.148 116.104 115.700 0.427 0.000 2.447 82 S HA -0.068 4.402 4.470 0.000 0.000 0.233 82 S C 2.230 177.081 174.600 0.418 0.000 1.006 82 S CA 0.675 59.149 58.200 0.457 0.000 0.957 82 S CB 0.045 63.443 63.200 0.331 0.000 0.773 82 S HN 0.513 nan 8.310 nan 0.000 0.507 83 A N 1.206 124.244 122.820 0.363 0.000 1.997 83 A HA 0.053 4.373 4.320 0.000 0.000 0.212 83 A C 2.247 180.116 177.584 0.474 0.000 1.178 83 A CA 1.377 53.691 52.037 0.461 0.000 0.698 83 A CB -0.521 18.727 19.000 0.413 0.000 0.842 83 A HN 0.561 nan 8.150 nan 0.000 0.458 84 T N -4.607 110.158 114.554 0.352 0.000 2.990 84 T HA 0.210 4.560 4.350 0.000 0.000 0.249 84 T C 1.425 176.338 174.700 0.355 0.000 1.039 84 T CA 0.967 63.312 62.100 0.409 0.000 1.036 84 T CB 0.253 69.236 68.868 0.192 0.000 0.994 84 T HN -0.017 nan 8.240 nan 0.000 0.489 85 V N 1.961 121.965 119.914 0.150 0.000 2.599 85 V HA 0.183 4.303 4.120 0.000 0.000 0.237 85 V C -0.770 175.188 176.094 -0.226 0.000 1.081 85 V CA 0.234 62.488 62.300 -0.077 0.000 1.107 85 V CB -0.653 31.109 31.823 -0.100 0.000 0.808 85 V HN 0.231 nan 8.190 nan 0.000 0.486 86 P HA -0.138 nan 4.420 nan 0.000 0.217 86 P C 1.454 178.657 177.300 -0.162 0.000 1.148 86 P CA 1.915 65.009 63.100 -0.009 0.000 0.828 86 P CB -0.231 31.611 31.700 0.237 0.000 0.783 87 G N -0.706 107.787 108.800 -0.513 0.000 2.920 87 G HA2 -0.025 3.935 3.960 0.000 0.000 0.208 87 G HA3 -0.025 3.935 3.960 0.000 0.000 0.208 87 G C 1.175 175.709 174.900 -0.610 0.000 1.159 87 G CA 0.422 45.098 45.100 -0.706 0.000 0.784 87 G HN 0.351 nan 8.290 nan 0.000 0.535 88 V N -2.053 117.401 119.914 -0.766 0.000 3.650 88 V HA 0.320 4.441 4.120 0.000 0.000 0.271 88 V C 2.129 178.042 176.094 -0.303 0.000 1.281 88 V CA 0.205 62.132 62.300 -0.623 0.000 1.120 88 V CB -0.232 31.103 31.823 -0.814 0.000 0.856 88 V HN 0.243 nan 8.190 nan 0.000 0.443 89 L N 1.427 122.505 121.223 -0.242 0.000 2.478 89 L HA 0.193 4.534 4.340 0.000 0.000 0.223 89 L C 2.534 179.466 176.870 0.102 0.000 1.140 89 L CA 1.063 55.875 54.840 -0.047 0.000 0.842 89 L CB -0.721 41.318 42.059 -0.034 0.000 0.953 89 L HN 0.487 nan 8.230 nan 0.000 0.452 90 G N -0.457 108.372 108.800 0.049 0.000 2.509 90 G HA2 0.173 4.134 3.960 0.000 0.000 0.218 90 G HA3 0.173 4.134 3.960 0.000 0.000 0.218 90 G C 0.596 175.517 174.900 0.035 0.000 1.124 90 G CA 0.885 46.016 45.100 0.052 0.000 0.776 90 G HN 0.505 nan 8.290 nan 0.000 0.547 91 S N -1.819 113.903 115.700 0.036 0.000 2.645 91 S HA 0.520 4.990 4.470 0.000 0.000 0.268 91 S C 0.695 175.259 174.600 -0.061 0.000 1.110 91 S CA -0.480 57.704 58.200 -0.026 0.000 0.823 91 S CB 0.169 nan 63.200 nan 0.000 1.091 91 S HN -0.035 nan 8.310 nan 0.000 0.466 92 R N 0.008 120.438 120.500 -0.116 0.000 2.293 92 R HA -0.027 4.313 4.340 0.000 0.000 0.219 92 R C -0.287 176.054 176.300 0.069 0.000 1.091 92 R CA 1.276 57.310 56.100 -0.110 0.000 1.004 92 R CB 0.019 30.255 30.300 -0.106 0.000 0.865 92 R HN 0.666 nan 8.270 nan 0.000 0.469 93 D N -1.089 119.317 120.400 0.011 0.000 2.474 93 D HA 0.150 4.790 4.640 0.000 0.000 0.213 93 D C 1.360 177.562 176.300 -0.164 0.000 1.120 93 D CA 0.173 54.108 54.000 -0.107 0.000 0.836 93 D CB 0.508 41.237 40.800 -0.119 0.000 1.019 93 D HN 0.035 nan 8.370 nan 0.000 0.507 94 A N 1.820 124.637 122.820 -0.006 0.000 1.986 94 A HA -0.183 4.137 4.320 0.000 0.000 0.220 94 A C 2.047 179.704 177.584 0.121 0.000 1.171 94 A CA 1.339 53.405 52.037 0.048 0.000 0.640 94 A CB -1.283 17.748 19.000 0.052 0.000 0.811 94 A HN 0.574 nan 8.150 nan 0.000 0.451 95 W N 0.301 121.653 121.300 0.086 0.000 2.421 95 W HA -0.143 4.518 4.660 0.000 0.000 0.270 95 W C 1.669 178.322 176.519 0.223 0.000 1.233 95 W CA 0.853 58.303 57.345 0.176 0.000 1.226 95 W CB -0.674 28.835 29.460 0.082 0.000 1.121 95 W HN 0.298 nan 8.180 nan 0.000 0.579 96 R N 0.893 120.905 120.500 -0.813 0.000 2.070 96 R HA -0.127 4.213 4.340 0.000 0.000 0.233 96 R C 2.520 178.655 176.300 -0.276 0.000 1.137 96 R CA 3.080 58.609 56.100 -0.953 0.000 0.945 96 R CB -0.843 28.916 30.300 -0.903 0.000 0.845 96 R HN 0.311 nan 8.270 nan 0.000 0.430 97 T N -2.916 111.566 114.554 -0.119 0.000 2.985 97 T HA 0.090 4.440 4.350 0.000 0.000 0.254 97 T C 0.504 175.245 174.700 0.067 0.000 1.021 97 T CA -0.543 61.544 62.100 -0.022 0.000 0.957 97 T CB -0.123 68.719 68.868 -0.042 0.000 1.047 97 T HN 0.078 nan 8.240 nan 0.000 0.511 98 F N 4.612 124.579 119.950 0.027 0.000 2.604 98 F HA 0.251 4.778 4.527 0.000 0.000 0.390 98 F C 0.219 176.065 175.800 0.076 0.000 1.053 98 F CA -0.183 57.864 58.000 0.079 0.000 1.256 98 F CB -0.015 39.075 39.000 0.152 0.000 0.996 98 F HN 0.576 nan 8.300 nan 0.000 0.564 99 N N 4.233 122.445 118.700 -0.813 0.000 2.367 99 N HA 0.604 5.344 4.740 0.000 0.000 0.278 99 N C -2.295 172.760 175.510 -0.758 0.000 1.117 99 N CA -1.026 51.624 53.050 -0.666 0.000 0.867 99 N CB 2.195 40.517 38.487 -0.276 0.000 1.649 99 N HN 0.545 nan 8.380 nan 0.000 0.479 100 V N 2.680 122.286 119.914 -0.513 0.000 2.777 100 V HA 0.505 4.626 4.120 0.000 0.000 0.306 100 V C -0.950 175.078 176.094 -0.111 0.000 1.112 100 V CA -0.563 61.547 62.300 -0.315 0.000 0.917 100 V CB 0.442 32.218 31.823 -0.078 0.000 1.018 100 V HN 0.820 nan 8.190 nan 0.000 0.426 101 F N 4.711 124.594 119.950 -0.111 0.000 3.079 101 F HA -0.171 4.356 4.527 0.000 0.000 0.274 101 F C 1.629 177.364 175.800 -0.108 0.000 0.940 101 F CA 1.693 59.633 58.000 -0.100 0.000 0.932 101 F CB -1.451 37.495 39.000 -0.091 0.000 0.891 101 F HN 1.338 nan 8.300 nan 0.000 0.722 102 G N -0.280 108.503 108.800 -0.030 0.000 2.179 102 G HA2 -0.277 3.684 3.960 0.000 0.000 0.257 102 G HA3 -0.277 3.684 3.960 0.000 0.000 0.257 102 G C -0.041 174.829 174.900 -0.051 0.000 1.010 102 G CA 0.311 45.386 45.100 -0.043 0.000 0.736 102 G HN 0.574 nan 8.290 nan 0.000 0.513 103 L N -0.065 121.112 121.223 -0.078 0.000 2.342 103 L HA 0.819 5.160 4.340 0.000 0.000 0.271 103 L C 0.250 177.027 176.870 -0.155 0.000 1.008 103 L CA -0.843 53.927 54.840 -0.117 0.000 0.818 103 L CB 2.339 44.310 42.059 -0.148 0.000 1.296 103 L HN 0.109 nan 8.230 nan 0.000 0.427 104 S N -0.389 115.243 115.700 -0.114 0.000 2.595 104 S HA 0.553 5.023 4.470 0.000 0.000 0.281 104 S C -1.474 173.132 174.600 0.009 0.000 1.117 104 S CA -0.673 57.525 58.200 -0.004 0.000 0.873 104 S CB 1.406 64.668 63.200 0.103 0.000 1.108 104 S HN 0.369 nan 8.310 nan 0.000 0.477 105 W N 1.128 122.606 121.300 0.298 0.000 2.303 105 W HA 0.284 4.944 4.660 0.000 0.000 0.334 105 W C 1.784 178.448 176.519 0.241 0.000 1.197 105 W CA -0.384 57.102 57.345 0.235 0.000 1.262 105 W CB 0.589 30.188 29.460 0.231 0.000 1.153 105 W HN 0.848 nan 8.180 nan 0.000 0.596 106 T N -2.323 112.454 114.554 0.373 0.000 3.067 106 T HA 0.033 4.383 4.350 0.000 0.000 0.261 106 T C -0.278 174.361 174.700 -0.101 0.000 1.110 106 T CA 0.930 63.146 62.100 0.192 0.000 1.113 106 T CB -0.344 68.601 68.868 0.127 0.000 0.917 106 T HN 0.494 nan 8.240 nan 0.000 0.499 107 D N -1.598 118.508 120.400 -0.490 0.000 2.755 107 D HA 0.138 4.779 4.640 0.000 0.000 0.277 107 D C 0.365 175.792 176.300 -1.454 0.000 1.261 107 D CA -0.797 52.347 54.000 -1.427 0.000 0.759 107 D CB 0.384 40.772 40.800 -0.686 0.000 1.279 107 D HN -0.061 nan 8.370 nan 0.000 0.420 108 E N -0.218 118.962 120.200 -1.700 0.000 2.209 108 E HA -0.101 4.249 4.350 0.000 0.000 0.196 108 E C 1.719 178.041 176.600 -0.463 0.000 0.993 108 E CA 1.318 57.174 56.400 -0.906 0.000 0.819 108 E CB -0.453 28.979 29.700 -0.447 0.000 0.745 108 E HN 0.573 nan 8.360 nan 0.000 0.477 109 G N 0.443 108.996 108.800 -0.411 0.000 2.848 109 G HA2 -0.051 3.909 3.960 0.000 0.000 0.208 109 G HA3 -0.051 3.909 3.960 0.000 0.000 0.208 109 G C 0.739 175.493 174.900 -0.243 0.000 1.152 109 G CA -0.069 44.881 45.100 -0.250 0.000 0.789 109 G HN 0.345 nan 8.290 nan 0.000 0.531 110 L N 0.617 121.607 121.223 -0.388 0.000 3.739 110 L HA -0.242 4.098 4.340 0.000 0.000 0.442 110 L C 1.952 178.949 176.870 0.212 0.000 1.241 110 L CA 0.195 54.729 54.840 -0.510 0.000 0.819 110 L CB -2.116 39.201 42.059 -1.237 0.000 1.679 110 L HN 0.358 nan 8.230 nan 0.000 0.889 111 S N -0.843 115.000 115.700 0.239 0.000 2.436 111 S HA 0.230 4.700 4.470 0.000 0.000 0.228 111 S C 0.875 175.724 174.600 0.416 0.000 1.014 111 S CA 0.962 59.346 58.200 0.307 0.000 0.950 111 S CB 0.309 63.580 63.200 0.117 0.000 0.784 111 S HN 0.753 nan 8.310 nan 0.000 0.504 112 G N -0.001 109.058 108.800 0.431 0.000 2.698 112 G HA2 0.579 4.539 3.960 0.000 0.000 0.293 112 G HA3 0.579 4.539 3.960 0.000 0.000 0.293 112 G C -2.033 173.002 174.900 0.225 0.000 1.437 112 G CA -0.783 44.479 45.100 0.271 0.000 0.852 112 G HN 0.272 nan 8.290 nan 0.000 0.499 113 L N 0.826 122.047 121.223 -0.004 0.000 2.346 113 L HA 0.801 5.141 4.340 0.000 0.000 0.276 113 L C 0.259 177.081 176.870 -0.081 0.000 1.006 113 L CA -1.030 53.709 54.840 -0.169 0.000 0.817 113 L CB 2.000 43.827 42.059 -0.387 0.000 1.272 113 L HN 0.629 nan 8.230 nan 0.000 0.421 114 V N -0.047 119.833 119.914 -0.057 0.000 3.156 114 V HA 0.845 4.966 4.120 0.000 0.000 0.310 114 V C -0.066 176.009 176.094 -0.031 0.000 1.234 114 V CA -1.116 61.171 62.300 -0.021 0.000 1.065 114 V CB 1.653 33.492 31.823 0.027 0.000 1.088 114 V HN 0.768 nan 8.190 nan 0.000 0.451 115 A N 0.955 123.765 122.820 -0.017 0.000 2.524 115 A HA 0.695 5.016 4.320 0.000 0.000 0.250 115 A C 0.727 178.306 177.584 -0.009 0.000 1.078 115 A CA 0.413 52.439 52.037 -0.018 0.000 0.761 115 A CB -0.518 18.474 19.000 -0.012 0.000 1.012 115 A HN 2.237 nan 8.150 nan 0.000 0.500 116 A N 3.466 126.271 122.820 -0.025 0.000 2.407 116 A HA 0.404 4.724 4.320 0.000 0.000 0.248 116 A C 0.641 178.215 177.584 -0.016 0.000 1.082 116 A CA -0.430 51.593 52.037 -0.023 0.000 0.785 116 A CB 0.100 19.065 19.000 -0.059 0.000 1.020 116 A HN 0.864 nan 8.150 nan 0.000 0.489 117 Q N 0.758 120.553 119.800 -0.008 0.000 2.348 117 Q HA -0.008 4.332 4.340 0.000 0.000 0.331 117 Q C -0.881 175.105 176.000 -0.024 0.000 1.099 117 Q CA 0.933 56.729 55.803 -0.012 0.000 1.021 117 Q CB 0.340 29.071 28.738 -0.011 0.000 1.166 117 Q HN 0.662 nan 8.270 nan 0.000 0.393 118 D N 2.958 123.346 120.400 -0.020 0.000 2.788 118 D HA 0.342 4.982 4.640 0.000 0.000 0.247 118 D C -2.305 173.983 176.300 -0.020 0.000 1.236 118 D CA -1.477 52.508 54.000 -0.025 0.000 0.898 118 D CB 1.143 41.929 40.800 -0.024 0.000 1.401 118 D HN 0.242 nan 8.370 nan 0.000 0.549 119 P HA 0.379 nan 4.420 nan 0.000 0.275 119 P C -2.678 174.603 177.300 -0.032 0.000 1.227 119 P CA -1.287 61.796 63.100 -0.029 0.000 0.781 119 P CB 0.302 31.986 31.700 -0.027 0.000 0.906 120 P HA 0.158 nan 4.420 nan 0.000 0.276 120 P C -1.936 175.341 177.300 -0.039 0.000 1.253 120 P CA -1.291 61.782 63.100 -0.045 0.000 0.766 120 P CB 0.284 31.944 31.700 -0.067 0.000 0.845 121 P HA -0.202 nan 4.420 nan 0.000 0.219 121 P C 0.566 177.848 177.300 -0.030 0.000 1.161 121 P CA 1.852 64.934 63.100 -0.030 0.000 0.909 121 P CB -0.181 31.501 31.700 -0.030 0.000 0.793 122 A N -1.128 121.672 122.820 -0.033 0.000 2.293 122 A HA 0.617 4.938 4.320 0.000 0.000 0.302 122 A C 0.157 177.717 177.584 -0.039 0.000 1.119 122 A CA -0.176 51.845 52.037 -0.026 0.000 0.823 122 A CB 0.264 19.258 19.000 -0.010 0.000 1.097 122 A HN 0.230 nan 8.150 nan 0.000 0.491 123 A N 2.091 124.894 122.820 -0.029 0.000 2.498 123 A HA 0.509 4.830 4.320 0.000 0.000 0.239 123 A C -2.261 175.282 177.584 -0.068 0.000 1.068 123 A CA -0.840 51.171 52.037 -0.044 0.000 0.766 123 A CB -0.845 18.139 19.000 -0.027 0.000 1.003 123 A HN 0.597 nan 8.150 nan 0.000 0.497 124 P HA 0.046 nan 4.420 nan 0.000 0.264 124 P C -0.459 176.770 177.300 -0.120 0.000 1.193 124 P CA 0.315 63.314 63.100 -0.168 0.000 0.763 124 P CB 0.103 31.680 31.700 -0.205 0.000 0.810 125 Y N 3.247 123.382 120.300 -0.275 0.000 2.578 125 Y HA 0.010 4.561 4.550 0.000 0.000 0.339 125 Y C 0.399 176.209 175.900 -0.150 0.000 1.231 125 Y CA 0.579 58.599 58.100 -0.134 0.000 1.461 125 Y CB 0.524 38.958 38.460 -0.043 0.000 1.323 125 Y HN 0.338 nan 8.280 nan 0.000 0.590 126 Q N 7.650 126.940 119.800 -0.849 0.000 2.413 126 Q HA 0.310 4.650 4.340 0.000 0.000 0.258 126 Q C -2.439 173.043 176.000 -0.863 0.000 1.037 126 Q CA -2.046 53.361 55.803 -0.660 0.000 0.764 126 Q CB 1.232 29.752 28.738 -0.363 0.000 1.217 126 Q HN 0.569 nan 8.270 nan 0.000 0.490 127 P HA -0.027 nan 4.420 nan 0.000 0.267 127 P C -1.002 176.425 177.300 0.212 0.000 1.201 127 P CA 0.308 63.413 63.100 0.008 0.000 0.775 127 P CB 0.604 32.452 31.700 0.247 0.000 0.854 128 A N 1.828 124.818 122.820 0.283 0.000 2.337 128 A HA 0.519 4.839 4.320 0.000 0.000 0.329 128 A C 0.043 177.610 177.584 -0.029 0.000 1.146 128 A CA -0.453 51.687 52.037 0.173 0.000 0.800 128 A CB 0.863 19.924 19.000 0.102 0.000 1.220 128 A HN 0.411 nan 8.150 nan 0.000 0.472 129 S N 1.792 117.139 115.700 -0.588 0.000 2.474 129 S HA 0.450 4.920 4.470 0.000 0.000 0.276 129 S C 0.752 175.019 174.600 -0.554 0.000 1.227 129 S CA 0.503 58.055 58.200 -1.079 0.000 1.050 129 S CB -0.226 62.044 63.200 -1.551 0.000 0.939 129 S HN 2.428 nan 8.310 nan 0.000 0.490 130 A N 3.267 125.732 122.820 -0.591 0.000 2.519 130 A HA -0.169 4.151 4.320 0.000 0.000 0.297 130 A C 0.067 177.308 177.584 -0.572 0.000 1.472 130 A CA 1.115 52.687 52.037 -0.776 0.000 0.739 130 A CB -2.008 16.811 19.000 -0.301 0.000 1.096 130 A HN 0.848 nan 8.150 nan 0.000 0.414 131 Q N -1.375 118.063 119.800 -0.603 0.000 2.394 131 Q HA 0.683 5.024 4.340 0.000 0.000 0.273 131 Q C -0.638 175.288 176.000 -0.123 0.000 1.089 131 Q CA -0.437 55.272 55.803 -0.157 0.000 0.812 131 Q CB 1.103 29.833 28.738 -0.013 0.000 1.353 131 Q HN 0.593 nan 8.270 nan 0.000 0.438 132 W N 1.047 122.465 121.300 0.197 0.000 2.381 132 W HA 0.635 5.295 4.660 0.000 0.000 0.329 132 W C -0.279 176.363 176.519 0.205 0.000 1.157 132 W CA -0.231 57.245 57.345 0.218 0.000 1.240 132 W CB 1.725 31.289 29.460 0.174 0.000 1.199 132 W HN 0.404 nan 8.180 nan 0.000 0.579 133 S N 1.553 117.583 115.700 0.550 0.000 2.541 133 S HA 0.147 4.617 4.470 0.000 0.000 0.280 133 S C -1.524 173.324 174.600 0.414 0.000 1.112 133 S CA -0.809 57.646 58.200 0.425 0.000 0.925 133 S CB 1.753 65.205 63.200 0.420 0.000 1.067 133 S HN 0.387 nan 8.310 nan 0.000 0.479 134 D N 1.678 122.258 120.400 0.300 0.000 2.232 134 D HA 0.334 4.974 4.640 0.000 0.000 0.242 134 D C 0.476 176.931 176.300 0.259 0.000 1.093 134 D CA -0.475 53.681 54.000 0.260 0.000 0.845 134 D CB 0.894 41.804 40.800 0.182 0.000 1.124 134 D HN 0.422 nan 8.370 nan 0.000 0.467 135 L N 3.380 124.774 121.223 0.286 0.000 2.529 135 L HA 0.115 4.456 4.340 0.000 0.000 0.223 135 L C 2.016 179.080 176.870 0.324 0.000 1.113 135 L CA 0.052 55.089 54.840 0.329 0.000 0.861 135 L CB 0.133 42.367 42.059 0.291 0.000 1.012 135 L HN 0.406 nan 8.230 nan 0.000 0.461 136 L N -0.238 121.107 121.223 0.204 0.000 2.395 136 L HA -0.069 4.271 4.340 0.000 0.000 0.218 136 L C 1.962 178.915 176.870 0.139 0.000 1.130 136 L CA 0.157 55.082 54.840 0.141 0.000 0.826 136 L CB -0.445 41.672 42.059 0.097 0.000 0.941 136 L HN 0.333 nan 8.230 nan 0.000 0.451 137 N N 0.020 118.812 118.700 0.155 0.000 2.132 137 N HA -0.244 4.496 4.740 0.000 0.000 0.191 137 N C 0.560 176.141 175.510 0.118 0.000 1.015 137 N CA 1.015 54.139 53.050 0.123 0.000 0.864 137 N CB -0.432 38.133 38.487 0.131 0.000 1.006 137 N HN 0.173 nan 8.380 nan 0.000 0.430 138 Y N 2.386 122.673 120.300 -0.023 0.000 2.713 138 Y HA 0.052 4.603 4.550 0.000 0.000 0.341 138 Y C -1.450 174.366 175.900 -0.139 0.000 1.167 138 Y CA -2.187 55.808 58.100 -0.174 0.000 1.503 138 Y CB 0.659 38.863 38.460 -0.426 0.000 1.199 138 Y HN 0.090 nan 8.280 nan 0.000 0.525 139 P HA -0.210 nan 4.420 nan 0.000 0.216 139 P C 1.483 178.578 177.300 -0.340 0.000 1.150 139 P CA 1.801 64.708 63.100 -0.322 0.000 0.837 139 P CB 0.220 31.734 31.700 -0.310 0.000 0.786 140 R N -1.521 118.610 120.500 -0.615 0.000 2.096 140 R HA -0.122 4.218 4.340 0.000 0.000 0.235 140 R C 1.914 178.153 176.300 -0.103 0.000 1.127 140 R CA 1.435 57.295 56.100 -0.400 0.000 0.968 140 R CB -0.577 29.396 30.300 -0.545 0.000 0.861 140 R HN 0.181 nan 8.270 nan 0.000 0.440 141 W N -0.255 120.945 121.300 -0.166 0.000 2.476 141 W HA 0.211 4.871 4.660 0.000 0.000 0.281 141 W C 2.111 178.523 176.519 -0.180 0.000 1.230 141 W CA 0.490 57.751 57.345 -0.140 0.000 1.287 141 W CB -0.856 28.557 29.460 -0.079 0.000 1.108 141 W HN 0.234 nan 8.180 nan 0.000 0.567 142 A N 0.638 123.502 122.820 0.074 0.000 1.972 142 A HA -0.185 4.135 4.320 0.000 0.000 0.219 142 A C 1.823 179.386 177.584 -0.035 0.000 1.169 142 A CA 1.705 53.740 52.037 -0.004 0.000 0.635 142 A CB -0.609 18.384 19.000 -0.011 0.000 0.810 142 A HN 0.301 nan 8.150 nan 0.000 0.446 143 N N -0.844 117.829 118.700 -0.045 0.000 2.368 143 N HA 0.032 4.772 4.740 0.000 0.000 0.178 143 N C -0.080 175.400 175.510 -0.049 0.000 1.076 143 N CA 0.208 53.227 53.050 -0.052 0.000 0.889 143 N CB 0.347 38.795 38.487 -0.065 0.000 1.040 143 N HN 0.419 nan 8.380 nan 0.000 0.463 144 R N 1.348 121.826 120.500 -0.037 0.000 2.396 144 R HA 0.361 4.701 4.340 0.000 0.000 0.292 144 R C 0.445 176.712 176.300 -0.055 0.000 1.240 144 R CA -0.564 55.513 56.100 -0.039 0.000 1.270 144 R CB 1.383 31.666 30.300 -0.029 0.000 1.108 144 R HN -0.146 nan 8.270 nan 0.000 0.573 145 R N 1.455 121.899 120.500 -0.094 0.000 2.081 145 R HA -0.077 4.263 4.340 0.000 0.000 0.235 145 R C 1.856 178.040 176.300 -0.193 0.000 1.131 145 R CA 1.334 57.335 56.100 -0.165 0.000 0.960 145 R CB -0.238 29.984 30.300 -0.131 0.000 0.856 145 R HN 0.432 nan 8.270 nan 0.000 0.436 146 R N 0.911 121.334 120.500 -0.128 0.000 2.249 146 R HA -0.106 4.234 4.340 0.000 0.000 0.230 146 R C 1.554 177.757 176.300 -0.163 0.000 1.121 146 R CA 1.363 57.390 56.100 -0.122 0.000 0.997 146 R CB 0.083 30.335 30.300 -0.079 0.000 0.867 146 R HN 0.339 nan 8.270 nan 0.000 0.465 147 E N -0.362 119.736 120.200 -0.169 0.000 2.230 147 E HA -0.134 4.216 4.350 0.000 0.000 0.192 147 E C 1.620 177.946 176.600 -0.457 0.000 0.987 147 E CA 0.430 56.716 56.400 -0.190 0.000 0.841 147 E CB 0.095 29.787 29.700 -0.013 0.000 0.783 147 E HN 0.184 nan 8.360 nan 0.000 0.481 148 L N 1.244 122.058 121.223 -0.683 0.000 2.131 148 L HA -0.101 4.239 4.340 0.000 0.000 0.206 148 L C 1.956 178.432 176.870 -0.656 0.000 1.087 148 L CA 1.707 55.858 54.840 -1.149 0.000 0.767 148 L CB -0.263 41.060 42.059 -1.228 0.000 0.917 148 L HN -0.023 nan 8.230 nan 0.000 0.441 149 Q N -0.965 118.590 119.800 -0.409 0.000 2.119 149 Q HA -0.139 4.201 4.340 0.000 0.000 0.201 149 Q C 2.205 178.141 176.000 -0.108 0.000 0.972 149 Q CA 1.676 57.383 55.803 -0.161 0.000 0.847 149 Q CB -0.136 28.547 28.738 -0.092 0.000 0.903 149 Q HN 0.495 nan 8.270 nan 0.000 0.433 150 S N 0.797 116.392 115.700 -0.175 0.000 2.383 150 S HA -0.143 4.327 4.470 0.000 0.000 0.229 150 S C 1.613 176.116 174.600 -0.162 0.000 1.030 150 S CA 1.274 59.388 58.200 -0.142 0.000 1.002 150 S CB -0.029 63.071 63.200 -0.167 0.000 0.829 150 S HN 0.277 nan 8.310 nan 0.000 0.467 151 K N -0.768 119.440 120.400 -0.320 0.000 2.361 151 K HA 0.097 4.418 4.320 0.000 0.000 0.196 151 K C 1.640 178.147 176.600 -0.155 0.000 1.039 151 K CA 0.246 56.296 56.287 -0.395 0.000 1.001 151 K CB -0.069 31.854 32.500 -0.963 0.000 0.795 151 K HN 0.309 nan 8.250 nan 0.000 0.495 152 Y N 1.999 122.169 120.300 -0.217 0.000 2.263 152 Y HA -0.069 4.481 4.550 0.000 0.000 0.292 152 Y C -1.274 174.645 175.900 0.032 0.000 1.130 152 Y CA 0.512 58.563 58.100 -0.082 0.000 1.179 152 Y CB -0.700 37.771 38.460 0.018 0.000 0.998 152 Y HN -0.006 nan 8.280 nan 0.000 0.532 153 P HA -0.247 nan 4.420 nan 0.000 0.216 153 P C 1.905 179.189 177.300 -0.027 0.000 1.154 153 P CA 1.912 64.985 63.100 -0.045 0.000 0.865 153 P CB -0.115 31.596 31.700 0.017 0.000 0.789 154 L N -1.709 119.541 121.223 0.046 0.000 2.027 154 L HA -0.170 4.171 4.340 0.000 0.000 0.206 154 L C 2.461 179.422 176.870 0.151 0.000 1.074 154 L CA 1.377 56.315 54.840 0.162 0.000 0.745 154 L CB -0.802 41.420 42.059 0.271 0.000 0.898 154 L HN -0.041 nan 8.230 nan 0.000 0.433 155 L N -1.055 120.154 121.223 -0.023 0.000 2.017 155 L HA -0.263 4.077 4.340 0.000 0.000 0.208 155 L C 2.514 179.436 176.870 0.086 0.000 1.073 155 L CA 0.811 55.679 54.840 0.047 0.000 0.745 155 L CB -0.543 41.517 42.059 0.002 0.000 0.894 155 L HN 0.260 nan 8.230 nan 0.000 0.432 156 L N -0.029 121.005 121.223 -0.316 0.000 1.994 156 L HA -0.207 4.133 4.340 0.000 0.000 0.208 156 L C 2.747 179.617 176.870 0.000 0.000 1.071 156 L CA 1.681 56.356 54.840 -0.276 0.000 0.745 156 L CB -0.823 40.942 42.059 -0.490 0.000 0.892 156 L HN 0.151 nan 8.230 nan 0.000 0.431 157 R N -0.755 119.764 120.500 0.032 0.000 2.134 157 R HA -0.204 4.136 4.340 0.000 0.000 0.248 157 R C 2.192 178.568 176.300 0.127 0.000 1.143 157 R CA 2.100 58.259 56.100 0.098 0.000 0.957 157 R CB -0.471 29.898 30.300 0.114 0.000 0.867 157 R HN 0.484 nan 8.270 nan 0.000 0.441 158 S N -0.447 115.370 115.700 0.195 0.000 2.345 158 S HA -0.102 4.368 4.470 0.000 0.000 0.220 158 S C 1.877 176.503 174.600 0.043 0.000 1.031 158 S CA 1.742 60.059 58.200 0.196 0.000 0.996 158 S CB -0.354 63.130 63.200 0.473 0.000 0.882 158 S HN 0.469 nan 8.310 nan 0.000 0.445 159 T N 3.260 117.787 114.554 -0.045 0.000 2.592 159 T HA -0.177 4.173 4.350 0.000 0.000 0.267 159 T C 1.724 176.418 174.700 -0.009 0.000 1.060 159 T CA 1.596 63.592 62.100 -0.174 0.000 1.167 159 T CB -0.712 68.089 68.868 -0.113 0.000 0.863 159 T HN 0.245 nan 8.240 nan 0.000 0.431 160 L N -0.058 121.222 121.223 0.094 0.000 2.017 160 L HA -0.078 4.262 4.340 0.000 0.000 0.208 160 L C 2.522 179.410 176.870 0.031 0.000 1.073 160 L CA 0.955 55.870 54.840 0.124 0.000 0.745 160 L CB -0.580 41.575 42.059 0.160 0.000 0.894 160 L HN 0.217 nan 8.230 nan 0.000 0.432 161 L N -0.677 120.565 121.223 0.032 0.000 2.046 161 L HA -0.181 4.159 4.340 0.000 0.000 0.208 161 L C 2.585 179.477 176.870 0.038 0.000 1.077 161 L CA 1.765 56.609 54.840 0.007 0.000 0.747 161 L CB -0.426 41.663 42.059 0.051 0.000 0.896 161 L HN 0.074 nan 8.230 nan 0.000 0.432 162 S N -0.403 115.330 115.700 0.056 0.000 2.399 162 S HA -0.090 4.380 4.470 0.000 0.000 0.231 162 S C 1.983 176.697 174.600 0.189 0.000 1.022 162 S CA 0.996 59.244 58.200 0.080 0.000 0.983 162 S CB -0.453 62.701 63.200 -0.077 0.000 0.803 162 S HN 0.659 nan 8.310 nan 0.000 0.480 163 A N 0.888 123.784 122.820 0.126 0.000 2.067 163 A HA 0.218 4.538 4.320 0.000 0.000 0.217 163 A C 0.962 178.491 177.584 -0.092 0.000 1.156 163 A CA 0.567 52.580 52.037 -0.040 0.000 0.683 163 A CB -0.198 18.734 19.000 -0.113 0.000 0.808 163 A HN 0.307 nan 8.150 nan 0.000 0.455 164 M N -0.234 119.312 119.600 -0.090 0.000 2.238 164 M HA 0.155 4.635 4.480 0.000 0.000 0.347 164 M C 1.325 177.579 176.300 -0.075 0.000 1.173 164 M CA 0.072 55.295 55.300 -0.127 0.000 1.147 164 M CB 0.438 32.948 32.600 -0.149 0.000 1.547 164 M HN 0.388 nan 8.290 nan 0.000 0.455 165 R N 1.276 121.726 120.500 -0.082 0.000 2.115 165 R HA 0.018 4.358 4.340 0.000 0.000 0.226 165 R C 0.837 177.108 176.300 -0.047 0.000 1.100 165 R CA 1.598 57.667 56.100 -0.050 0.000 0.980 165 R CB 0.356 30.626 30.300 -0.050 0.000 0.875 165 R HN 0.828 nan 8.270 nan 0.000 0.445 166 A N -0.874 121.892 122.820 -0.090 0.000 2.677 166 A HA 0.528 4.848 4.320 0.000 0.000 0.197 166 A C 0.394 177.840 177.584 -0.230 0.000 1.471 166 A CA 0.100 52.077 52.037 -0.101 0.000 1.527 166 A CB -0.533 18.391 19.000 -0.127 0.000 1.695 166 A HN 0.336 nan 8.150 nan 0.000 0.557 167 G N -0.478 108.053 108.800 -0.447 0.000 2.557 167 G HA2 0.546 4.507 3.960 0.000 0.000 0.292 167 G HA3 0.546 4.507 3.960 0.000 0.000 0.292 167 G C -2.911 171.558 174.900 -0.719 0.000 1.237 167 G CA -1.305 43.118 45.100 -1.128 0.000 0.978 167 G HN 0.374 nan 8.290 nan 0.000 0.498 168 P HA 0.301 nan 4.420 nan 0.000 0.277 168 P C -0.392 176.989 177.300 0.133 0.000 1.240 168 P CA -0.515 62.435 63.100 -0.250 0.000 0.798 168 P CB 1.462 33.041 31.700 -0.201 0.000 0.979 169 V N 3.337 123.324 119.914 0.122 0.000 2.617 169 V HA 0.391 4.511 4.120 0.000 0.000 0.298 169 V C -0.505 175.715 176.094 0.210 0.000 1.048 169 V CA -0.741 61.686 62.300 0.212 0.000 0.964 169 V CB 0.633 32.553 31.823 0.161 0.000 1.004 169 V HN 0.274 nan 8.190 nan 0.000 0.466 170 L N 5.804 127.144 121.223 0.195 0.000 2.329 170 L HA 0.455 4.796 4.340 0.000 0.000 0.279 170 L C -1.076 175.951 176.870 0.263 0.000 1.014 170 L CA -0.775 54.120 54.840 0.092 0.000 0.814 170 L CB 1.756 43.691 42.059 -0.206 0.000 1.257 170 L HN 0.709 nan 8.230 nan 0.000 0.424 171 Y N 3.396 123.806 120.300 0.183 0.000 2.452 171 Y HA 0.432 4.982 4.550 0.000 0.000 0.348 171 Y C -0.643 175.299 175.900 0.070 0.000 0.985 171 Y CA -0.472 57.754 58.100 0.209 0.000 1.214 171 Y CB 0.880 39.533 38.460 0.322 0.000 1.136 171 Y HN 0.231 nan 8.280 nan 0.000 0.523 172 V N 6.943 126.669 119.914 -0.313 0.000 2.376 172 V HA 0.362 4.483 4.120 0.000 0.000 0.287 172 V C -0.628 175.460 176.094 -0.011 0.000 1.015 172 V CA -0.842 61.394 62.300 -0.108 0.000 0.834 172 V CB 1.323 33.035 31.823 -0.185 0.000 1.001 172 V HN 0.767 nan 8.190 nan 0.000 0.428 173 E N 2.919 123.289 120.200 0.283 0.000 2.275 173 E HA 0.656 5.006 4.350 0.000 0.000 0.270 173 E C -0.770 176.095 176.600 0.441 0.000 0.882 173 E CA -0.446 56.191 56.400 0.394 0.000 0.758 173 E CB 2.303 32.320 29.700 0.528 0.000 1.195 173 E HN 0.812 nan 8.360 nan 0.000 0.419 174 T N 0.552 115.290 114.554 0.307 0.000 2.908 174 T HA 0.798 5.148 4.350 0.000 0.000 0.290 174 T C -0.929 173.975 174.700 0.339 0.000 1.034 174 T CA -0.799 61.420 62.100 0.198 0.000 1.010 174 T CB 0.788 69.708 68.868 0.087 0.000 1.068 174 T HN 0.539 nan 8.240 nan 0.000 0.481 175 W N -0.273 121.076 121.300 0.081 0.000 3.167 175 W HA 0.682 5.342 4.660 0.000 0.000 0.324 175 W C -3.411 173.137 176.519 0.048 0.000 1.230 175 W CA -2.891 54.477 57.345 0.040 0.000 1.184 175 W CB -0.215 29.265 29.460 0.034 0.000 1.414 175 W HN 0.522 nan 8.180 nan 0.000 0.551 176 P HA -0.082 nan 4.420 nan 0.000 0.261 176 P C -0.014 177.356 177.300 0.116 0.000 1.173 176 P CA 0.739 63.904 63.100 0.108 0.000 0.760 176 P CB 0.366 32.127 31.700 0.102 0.000 0.783 177 N N 2.848 121.569 118.700 0.034 0.000 2.696 177 N HA -0.255 4.485 4.740 0.000 0.000 0.271 177 N C 0.879 176.368 175.510 -0.035 0.000 0.997 177 N CA 0.812 53.873 53.050 0.019 0.000 0.801 177 N CB -1.261 37.271 38.487 0.075 0.000 0.913 177 N HN 0.547 nan 8.380 nan 0.000 0.557 178 M N -1.302 118.080 119.600 -0.363 0.000 2.065 178 M HA -0.064 4.416 4.480 0.000 0.000 0.259 178 M C 0.889 177.090 176.300 -0.165 0.000 1.071 178 M CA 1.623 56.473 55.300 -0.751 0.000 1.109 178 M CB -0.312 31.386 32.600 -1.504 0.000 1.313 178 M HN 0.150 nan 8.290 nan 0.000 0.408 179 I N 2.661 123.165 120.570 -0.110 0.000 2.281 179 I HA 0.259 4.429 4.170 0.000 0.000 0.293 179 I C -0.199 176.002 176.117 0.140 0.000 1.085 179 I CA -0.461 60.873 61.300 0.057 0.000 1.257 179 I CB 0.195 38.164 38.000 -0.052 0.000 1.430 179 I HN 0.409 nan 8.210 nan 0.000 0.489 180 S N 3.533 119.346 115.700 0.189 0.000 2.587 180 S HA 0.865 5.335 4.470 0.000 0.000 0.269 180 S C -0.012 174.701 174.600 0.188 0.000 1.154 180 S CA -0.249 58.058 58.200 0.178 0.000 0.824 180 S CB 1.474 64.757 63.200 0.138 0.000 1.118 180 S HN 1.108 nan 8.310 nan 0.000 0.462 181 G N 2.222 111.118 108.800 0.159 0.000 2.574 181 G HA2 -0.300 3.661 3.960 0.000 0.000 0.286 181 G HA3 -0.300 3.661 3.960 0.000 0.000 0.286 181 G C 0.606 175.602 174.900 0.160 0.000 1.212 181 G CA 0.404 45.589 45.100 0.140 0.000 0.979 181 G HN 0.929 nan 8.290 nan 0.000 0.557 182 R N -0.269 120.318 120.500 0.146 0.000 2.189 182 R HA 0.036 4.376 4.340 0.000 0.000 0.223 182 R C 2.669 179.099 176.300 0.218 0.000 1.092 182 R CA 1.446 57.636 56.100 0.150 0.000 0.989 182 R CB -0.348 30.013 30.300 0.102 0.000 0.876 182 R HN 0.400 nan 8.270 nan 0.000 0.457 183 L N 0.751 122.122 121.223 0.248 0.000 2.095 183 L HA 0.044 4.384 4.340 0.000 0.000 0.204 183 L C 2.275 179.450 176.870 0.509 0.000 1.080 183 L CA 1.564 56.620 54.840 0.360 0.000 0.759 183 L CB -0.566 41.702 42.059 0.348 0.000 0.914 183 L HN 0.058 nan 8.230 nan 0.000 0.439 184 A N -0.505 122.550 122.820 0.392 0.000 1.908 184 A HA -0.243 4.078 4.320 0.000 0.000 0.218 184 A C 1.949 179.740 177.584 0.344 0.000 1.181 184 A CA 2.014 54.288 52.037 0.396 0.000 0.627 184 A CB -0.874 18.324 19.000 0.330 0.000 0.818 184 A HN 0.530 nan 8.150 nan 0.000 0.445 185 D N -1.559 119.001 120.400 0.266 0.000 2.117 185 D HA -0.177 4.463 4.640 0.000 0.000 0.197 185 D C 1.540 177.953 176.300 0.189 0.000 0.987 185 D CA 1.331 55.448 54.000 0.196 0.000 0.829 185 D CB -0.481 40.417 40.800 0.163 0.000 0.961 185 D HN 0.779 nan 8.370 nan 0.000 0.460 186 W N 0.601 121.930 121.300 0.048 0.000 2.355 186 W HA -0.161 4.500 4.660 0.000 0.000 0.309 186 W C 1.912 178.345 176.519 -0.143 0.000 1.206 186 W CA 1.114 58.429 57.345 -0.049 0.000 1.284 186 W CB -0.629 28.779 29.460 -0.085 0.000 1.145 186 W HN -0.157 nan 8.180 nan 0.000 0.502 187 F N 0.121 119.940 119.950 -0.218 0.000 2.126 187 F HA -0.264 4.264 4.527 0.000 0.000 0.299 187 F C 2.509 177.995 175.800 -0.524 0.000 1.096 187 F CA 2.113 59.693 58.000 -0.700 0.000 1.255 187 F CB -1.181 37.153 39.000 -1.111 0.000 0.997 187 F HN -0.098 nan 8.300 nan 0.000 0.479 188 M N 0.523 120.156 119.600 0.056 0.000 2.108 188 M HA -0.194 4.287 4.480 0.000 0.000 0.261 188 M C 2.439 178.762 176.300 0.037 0.000 1.066 188 M CA 2.011 57.428 55.300 0.196 0.000 1.107 188 M CB -0.857 31.823 32.600 0.133 0.000 1.356 188 M HN 0.115 nan 8.290 nan 0.000 0.406 189 S N -1.042 114.612 115.700 -0.078 0.000 2.537 189 S HA -0.148 4.322 4.470 0.000 0.000 0.240 189 S C 1.419 175.914 174.600 -0.174 0.000 0.981 189 S CA 1.097 59.230 58.200 -0.112 0.000 0.948 189 S CB -0.614 62.509 63.200 -0.128 0.000 0.759 189 S HN 0.760 nan 8.310 nan 0.000 0.531 190 Q N -0.422 119.233 119.800 -0.241 0.000 2.135 190 Q HA 0.287 4.628 4.340 0.000 0.000 0.222 190 Q C -0.900 175.039 176.000 -0.101 0.000 0.808 190 Q CA -0.530 55.121 55.803 -0.253 0.000 1.049 190 Q CB 0.408 28.828 28.738 -0.530 0.000 1.168 190 Q HN 0.708 nan 8.270 nan 0.000 0.483 191 Y N 0.523 120.777 120.300 -0.076 0.000 2.721 191 Y HA 0.124 4.674 4.550 0.000 0.000 0.329 191 Y C 1.366 177.236 175.900 -0.049 0.000 1.211 191 Y CA 2.050 60.149 58.100 -0.002 0.000 1.512 191 Y CB 0.282 38.797 38.460 0.092 0.000 1.249 191 Y HN 0.392 nan 8.280 nan 0.000 0.549 192 G N 3.600 111.956 108.800 -0.740 0.000 2.241 192 G HA2 -0.322 3.638 3.960 0.000 0.000 0.244 192 G HA3 -0.322 3.638 3.960 0.000 0.000 0.244 192 G C 0.222 174.928 174.900 -0.323 0.000 0.998 192 G CA 0.155 44.907 45.100 -0.581 0.000 0.621 192 G HN 0.732 nan 8.290 nan 0.000 0.519 193 N N 0.839 119.410 118.700 -0.215 0.000 2.415 193 N HA 0.239 4.979 4.740 0.000 0.000 0.248 193 N C -0.110 175.392 175.510 -0.013 0.000 1.271 193 N CA -0.208 52.785 53.050 -0.096 0.000 0.913 193 N CB 0.273 38.711 38.487 -0.081 0.000 1.129 193 N HN 0.272 nan 8.380 nan 0.000 0.444 194 N N 1.156 119.884 118.700 0.047 0.000 2.499 194 N HA -0.007 4.733 4.740 0.000 0.000 0.281 194 N C 0.492 176.129 175.510 0.213 0.000 1.098 194 N CA -0.140 52.999 53.050 0.147 0.000 0.979 194 N CB 0.663 39.206 38.487 0.093 0.000 1.121 194 N HN 0.450 nan 8.380 nan 0.000 0.466 195 F N 4.453 124.510 119.950 0.177 0.000 2.063 195 F HA -0.250 4.277 4.527 0.000 0.000 0.298 195 F C 1.947 177.679 175.800 -0.113 0.000 1.109 195 F CA 1.593 59.570 58.000 -0.039 0.000 1.212 195 F CB -0.426 38.294 39.000 -0.466 0.000 0.973 195 F HN 0.358 nan 8.300 nan 0.000 0.480 196 V N 0.570 120.335 119.914 -0.249 0.000 2.490 196 V HA -0.292 3.829 4.120 0.000 0.000 0.250 196 V C 2.167 178.111 176.094 -0.251 0.000 1.061 196 V CA 2.252 64.344 62.300 -0.347 0.000 1.064 196 V CB -0.694 31.067 31.823 -0.104 0.000 0.670 196 V HN 0.387 nan 8.190 nan 0.000 0.461 197 D N -0.565 119.757 120.400 -0.130 0.000 2.149 197 D HA -0.126 4.515 4.640 0.000 0.000 0.201 197 D C 2.201 178.433 176.300 -0.114 0.000 0.972 197 D CA 1.305 55.249 54.000 -0.093 0.000 0.835 197 D CB -0.028 40.748 40.800 -0.040 0.000 0.966 197 D HN 0.385 nan 8.370 nan 0.000 0.476 198 M N 0.251 119.776 119.600 -0.125 0.000 2.117 198 M HA -0.167 4.313 4.480 0.000 0.000 0.262 198 M C 2.620 178.840 176.300 -0.134 0.000 1.065 198 M CA 1.103 56.344 55.300 -0.097 0.000 1.114 198 M CB -0.237 32.352 32.600 -0.018 0.000 1.361 198 M HN 0.109 nan 8.290 nan 0.000 0.408 199 C N 0.115 119.215 119.300 -0.332 0.000 2.432 199 C HA -0.120 4.340 4.460 0.000 0.000 0.277 199 C C 3.061 177.930 174.990 -0.203 0.000 1.249 199 C CA 0.917 59.735 59.018 -0.334 0.000 1.725 199 C CB -1.451 25.942 27.740 -0.578 0.000 2.028 199 C HN 0.656 nan 8.230 nan 0.000 0.477 200 A N 0.524 123.234 122.820 -0.185 0.000 1.892 200 A HA -0.270 4.050 4.320 0.000 0.000 0.218 200 A C 2.223 179.754 177.584 -0.088 0.000 1.188 200 A CA 2.166 54.133 52.037 -0.116 0.000 0.631 200 A CB -0.654 18.290 19.000 -0.093 0.000 0.822 200 A HN 0.636 nan 8.150 nan 0.000 0.447 201 R N -0.757 119.699 120.500 -0.074 0.000 2.081 201 R HA 0.003 4.343 4.340 0.000 0.000 0.235 201 R C 2.070 178.331 176.300 -0.065 0.000 1.131 201 R CA 1.366 57.439 56.100 -0.046 0.000 0.960 201 R CB -0.356 29.936 30.300 -0.014 0.000 0.856 201 R HN 0.546 nan 8.270 nan 0.000 0.436 202 L N -0.498 120.683 121.223 -0.070 0.000 2.093 202 L HA -0.150 4.190 4.340 0.000 0.000 0.208 202 L C 2.171 178.922 176.870 -0.199 0.000 1.085 202 L CA 1.352 56.104 54.840 -0.146 0.000 0.755 202 L CB -0.309 41.692 42.059 -0.097 0.000 0.904 202 L HN 0.309 nan 8.230 nan 0.000 0.435 203 T N -0.674 113.797 114.554 -0.139 0.000 2.746 203 T HA -0.273 4.077 4.350 0.000 0.000 0.267 203 T C 1.702 176.337 174.700 -0.109 0.000 1.039 203 T CA 1.940 63.971 62.100 -0.115 0.000 1.142 203 T CB -0.073 68.745 68.868 -0.084 0.000 0.866 203 T HN 0.437 nan 8.240 nan 0.000 0.444 204 Q N 0.389 120.130 119.800 -0.099 0.000 2.389 204 Q HA 0.177 4.517 4.340 0.000 0.000 0.204 204 Q C 2.075 178.010 176.000 -0.109 0.000 0.944 204 Q CA 1.113 56.870 55.803 -0.077 0.000 0.908 204 Q CB -0.220 28.491 28.738 -0.045 0.000 1.002 204 Q HN 0.210 nan 8.270 nan 0.000 0.493 205 S N -0.390 115.195 115.700 -0.192 0.000 2.383 205 S HA -0.109 4.361 4.470 0.000 0.000 0.227 205 S C 1.600 175.964 174.600 -0.393 0.000 1.026 205 S CA 1.149 59.165 58.200 -0.308 0.000 0.981 205 S CB -0.339 62.559 63.200 -0.504 0.000 0.818 205 S HN 0.628 nan 8.310 nan 0.000 0.472 206 C N 1.464 120.537 119.300 -0.379 0.000 2.514 206 C HA 0.258 4.718 4.460 0.000 0.000 0.271 206 C C 1.383 176.336 174.990 -0.062 0.000 1.399 206 C CA -0.633 58.257 59.018 -0.214 0.000 1.765 206 C CB -1.120 26.512 27.740 -0.180 0.000 1.893 206 C HN 0.321 nan 8.230 nan 0.000 0.531 207 S N 2.141 117.803 115.700 -0.063 0.000 2.544 207 S HA 0.162 4.632 4.470 0.000 0.000 0.290 207 S C 0.910 175.509 174.600 -0.001 0.000 1.276 207 S CA 1.130 59.318 58.200 -0.020 0.000 1.075 207 S CB -0.164 63.027 63.200 -0.014 0.000 0.849 207 S HN 0.916 nan 8.310 nan 0.000 0.494 208 N N 3.115 121.817 118.700 0.002 0.000 2.424 208 N HA -0.237 4.503 4.740 0.000 0.000 0.191 208 N C 0.492 176.003 175.510 0.002 0.000 1.627 208 N CA 1.089 54.141 53.050 0.004 0.000 3.232 208 N CB -0.906 37.591 38.487 0.016 0.000 1.097 208 N HN 0.487 nan 8.380 nan 0.000 0.744 209 M N -2.860 116.753 119.600 0.022 0.000 5.258 209 M HA -0.037 4.443 4.480 0.000 0.000 0.568 209 M C -2.321 174.019 176.300 0.067 0.000 1.611 209 M CA 1.349 56.666 55.300 0.029 0.000 0.995 209 M CB -2.542 30.058 32.600 -0.001 0.000 3.096 209 M HN 0.211 nan 8.290 nan 0.000 0.338 210 P HA 0.074 nan 4.420 nan 0.000 0.240 210 P C -0.656 176.666 177.300 0.037 0.000 1.079 210 P CA 0.736 63.848 63.100 0.019 0.000 0.839 210 P CB -0.386 31.312 31.700 -0.004 0.000 0.750 211 V N 4.781 124.716 119.914 0.035 0.000 2.284 211 V HA 0.124 4.244 4.120 0.000 0.000 0.274 211 V C 0.658 176.750 176.094 -0.003 0.000 1.023 211 V CA -0.538 61.788 62.300 0.042 0.000 0.808 211 V CB 1.070 32.934 31.823 0.068 0.000 1.035 211 V HN 0.372 nan 8.190 nan 0.000 0.445 212 E N 5.290 125.470 120.200 -0.033 0.000 2.301 212 E HA 0.367 4.717 4.350 0.000 0.000 0.275 212 E C -2.643 173.922 176.600 -0.058 0.000 1.030 212 E CA -2.182 54.189 56.400 -0.050 0.000 0.852 212 E CB 0.919 30.579 29.700 -0.065 0.000 1.060 212 E HN 0.315 nan 8.360 nan 0.000 0.401 213 P HA 0.031 nan 4.420 nan 0.000 0.268 213 P C -0.283 176.961 177.300 -0.093 0.000 1.204 213 P CA 0.235 63.286 63.100 -0.080 0.000 0.768 213 P CB 0.352 32.004 31.700 -0.080 0.000 0.842 214 D N -0.282 120.051 120.400 -0.112 0.000 3.046 214 D HA -0.128 4.512 4.640 0.000 0.000 0.210 214 D C 0.859 177.099 176.300 -0.100 0.000 1.124 214 D CA 1.774 55.699 54.000 -0.126 0.000 0.986 214 D CB -1.518 39.206 40.800 -0.126 0.000 1.118 214 D HN 0.585 nan 8.370 nan 0.000 0.416 215 G N -0.273 108.470 108.800 -0.095 0.000 2.616 215 G HA2 0.236 4.196 3.960 0.000 0.000 0.268 215 G HA3 0.236 4.196 3.960 0.000 0.000 0.268 215 G C 1.219 176.046 174.900 -0.121 0.000 1.213 215 G CA -0.034 44.997 45.100 -0.116 0.000 0.926 215 G HN 0.004 nan 8.290 nan 0.000 0.523 216 N N -0.714 117.875 118.700 -0.185 0.000 2.036 216 N HA -0.170 4.570 4.740 0.000 0.000 0.195 216 N C 1.897 177.318 175.510 -0.148 0.000 1.037 216 N CA 1.428 54.363 53.050 -0.193 0.000 0.855 216 N CB -0.484 37.841 38.487 -0.270 0.000 1.033 216 N HN 0.564 nan 8.380 nan 0.000 0.423 217 Y N 1.319 121.505 120.300 -0.190 0.000 2.128 217 Y HA -0.165 4.385 4.550 0.000 0.000 0.284 217 Y C 2.407 178.207 175.900 -0.167 0.000 1.154 217 Y CA 0.776 58.749 58.100 -0.212 0.000 1.149 217 Y CB -1.151 37.221 38.460 -0.146 0.000 0.976 217 Y HN 0.157 nan 8.280 nan 0.000 0.505 218 D N -0.454 119.974 120.400 0.047 0.000 2.104 218 D HA -0.180 4.460 4.640 0.000 0.000 0.194 218 D C 2.000 178.314 176.300 0.025 0.000 0.994 218 D CA 1.647 55.647 54.000 0.000 0.000 0.830 218 D CB -0.081 40.694 40.800 -0.043 0.000 0.959 218 D HN 0.386 nan 8.370 nan 0.000 0.452 219 Q N -0.625 119.190 119.800 0.025 0.000 2.079 219 Q HA -0.164 4.177 4.340 0.000 0.000 0.200 219 Q C 2.445 178.574 176.000 0.214 0.000 0.974 219 Q CA 1.163 57.062 55.803 0.159 0.000 0.840 219 Q CB -0.066 28.763 28.738 0.153 0.000 0.898 219 Q HN 0.495 nan 8.270 nan 0.000 0.430 220 Q N 0.021 119.786 119.800 -0.058 0.000 2.061 220 Q HA -0.178 4.162 4.340 0.000 0.000 0.204 220 Q C 2.091 178.073 176.000 -0.030 0.000 0.984 220 Q CA 1.535 57.140 55.803 -0.329 0.000 0.846 220 Q CB -0.127 27.994 28.738 -1.029 0.000 0.902 220 Q HN 0.430 nan 8.270 nan 0.000 0.421 221 M N -0.166 119.440 119.600 0.009 0.000 2.099 221 M HA -0.131 4.350 4.480 0.000 0.000 0.262 221 M C 2.196 178.628 176.300 0.220 0.000 1.067 221 M CA 1.429 56.782 55.300 0.089 0.000 1.124 221 M CB -0.245 32.369 32.600 0.022 0.000 1.353 221 M HN 0.103 nan 8.290 nan 0.000 0.410 222 R N 0.314 120.978 120.500 0.273 0.000 2.081 222 R HA -0.077 4.263 4.340 0.000 0.000 0.235 222 R C 2.356 178.958 176.300 0.503 0.000 1.131 222 R CA 1.519 57.879 56.100 0.433 0.000 0.960 222 R CB -0.493 30.115 30.300 0.513 0.000 0.856 222 R HN 0.375 nan 8.270 nan 0.000 0.436 223 A N 0.943 124.077 122.820 0.524 0.000 1.930 223 A HA -0.129 4.191 4.320 0.000 0.000 0.217 223 A C 2.026 179.927 177.584 0.529 0.000 1.175 223 A CA 0.887 53.171 52.037 0.412 0.000 0.627 223 A CB -0.324 18.965 19.000 0.481 0.000 0.815 223 A HN 0.203 nan 8.150 nan 0.000 0.443 224 L N 0.023 121.633 121.223 0.646 0.000 2.056 224 L HA -0.050 4.290 4.340 0.000 0.000 0.207 224 L C 2.197 179.415 176.870 0.580 0.000 1.078 224 L CA 1.603 56.880 54.840 0.727 0.000 0.749 224 L CB -0.466 41.955 42.059 0.603 0.000 0.901 224 L HN 0.431 nan 8.230 nan 0.000 0.433 225 I N -1.270 119.556 120.570 0.427 0.000 2.179 225 I HA -0.300 3.871 4.170 0.000 0.000 0.242 225 I C 2.321 178.596 176.117 0.264 0.000 1.088 225 I CA 1.447 62.947 61.300 0.332 0.000 1.357 225 I CB -0.485 37.668 38.000 0.256 0.000 1.051 225 I HN 0.190 nan 8.210 nan 0.000 0.409 226 S N 0.724 116.573 115.700 0.248 0.000 2.345 226 S HA -0.119 4.352 4.470 0.000 0.000 0.219 226 S C 1.908 176.570 174.600 0.104 0.000 1.031 226 S CA 0.858 59.148 58.200 0.152 0.000 0.984 226 S CB -0.491 62.819 63.200 0.182 0.000 0.874 226 S HN 0.256 nan 8.310 nan 0.000 0.451 227 L N 1.114 122.443 121.223 0.176 0.000 1.997 227 L HA -0.155 4.185 4.340 0.000 0.000 0.216 227 L C 2.022 179.025 176.870 0.221 0.000 1.074 227 L CA 1.967 56.928 54.840 0.202 0.000 0.763 227 L CB -0.938 41.279 42.059 0.263 0.000 0.890 227 L HN 0.570 nan 8.230 nan 0.000 0.434 228 W N -0.461 120.830 121.300 -0.015 0.000 2.354 228 W HA -0.261 4.399 4.660 0.000 0.000 0.315 228 W C 2.358 178.554 176.519 -0.538 0.000 1.206 228 W CA 1.933 58.930 57.345 -0.580 0.000 1.290 228 W CB -0.545 27.923 29.460 -1.655 0.000 1.152 228 W HN 0.264 nan 8.180 nan 0.000 0.489 229 L N 0.924 121.828 121.223 -0.533 0.000 2.042 229 L HA -0.164 4.176 4.340 0.000 0.000 0.210 229 L C 2.325 178.863 176.870 -0.554 0.000 1.076 229 L CA 2.017 56.375 54.840 -0.803 0.000 0.749 229 L CB -1.117 40.707 42.059 -0.392 0.000 0.893 229 L HN 0.149 nan 8.230 nan 0.000 0.432 230 L N -1.346 119.689 121.223 -0.314 0.000 2.201 230 L HA -0.139 4.201 4.340 0.000 0.000 0.212 230 L C 2.344 179.115 176.870 -0.165 0.000 1.105 230 L CA 0.954 55.674 54.840 -0.201 0.000 0.775 230 L CB -0.488 41.513 42.059 -0.097 0.000 0.913 230 L HN 0.246 nan 8.230 nan 0.000 0.440 231 S N -1.086 114.490 115.700 -0.206 0.000 2.345 231 S HA -0.201 4.269 4.470 0.000 0.000 0.219 231 S C 1.851 176.275 174.600 -0.293 0.000 1.031 231 S CA 0.773 58.920 58.200 -0.088 0.000 0.984 231 S CB -0.499 62.732 63.200 0.051 0.000 0.874 231 S HN 0.331 nan 8.310 nan 0.000 0.451 232 Y N 2.966 122.616 120.300 -1.082 0.000 2.132 232 Y HA -0.249 4.301 4.550 0.000 0.000 0.280 232 Y C 1.980 177.615 175.900 -0.442 0.000 1.193 232 Y CA 1.859 59.305 58.100 -1.089 0.000 1.157 232 Y CB -0.480 36.996 38.460 -1.639 0.000 0.966 232 Y HN 0.406 nan 8.280 nan 0.000 0.511 233 I N -3.391 117.004 120.570 -0.292 0.000 3.578 233 I HA 0.313 4.483 4.170 0.000 0.000 0.295 233 I C 1.721 177.715 176.117 -0.206 0.000 1.280 233 I CA 0.944 62.103 61.300 -0.235 0.000 1.347 233 I CB -0.277 37.624 38.000 -0.165 0.000 1.051 233 I HN 0.269 nan 8.210 nan 0.000 0.460 234 G N 1.639 110.358 108.800 -0.134 0.000 2.195 234 G HA2 -0.316 3.645 3.960 0.000 0.000 0.246 234 G HA3 -0.316 3.645 3.960 0.000 0.000 0.246 234 G C 0.872 175.798 174.900 0.043 0.000 0.984 234 G CA 0.579 45.654 45.100 -0.042 0.000 0.633 234 G HN 0.680 nan 8.290 nan 0.000 0.525 235 V N -1.879 118.027 119.914 -0.014 0.000 2.719 235 V HA 0.435 4.555 4.120 0.000 0.000 0.252 235 V C 1.351 177.457 176.094 0.020 0.000 1.065 235 V CA 1.145 63.440 62.300 -0.008 0.000 1.086 235 V CB 0.010 31.802 31.823 -0.050 0.000 0.700 235 V HN 0.506 nan 8.190 nan 0.000 0.467 236 V N 3.549 123.488 119.914 0.042 0.000 2.394 236 V HA 0.623 4.743 4.120 0.000 0.000 0.282 236 V C -0.184 176.011 176.094 0.168 0.000 1.031 236 V CA 0.262 62.610 62.300 0.080 0.000 0.881 236 V CB 0.808 32.680 31.823 0.083 0.000 0.982 236 V HN 1.008 nan 8.190 nan 0.000 0.451 237 N N 2.442 121.196 118.700 0.091 0.000 3.449 237 N HA 0.162 4.903 4.740 0.000 0.000 0.312 237 N C 0.390 175.625 175.510 -0.459 0.000 1.557 237 N CA -0.827 52.243 53.050 0.033 0.000 0.864 237 N CB 0.701 39.258 38.487 0.117 0.000 1.799 237 N HN 0.251 nan 8.380 nan 0.000 0.554 238 Q N -0.930 118.387 119.800 -0.805 0.000 2.234 238 Q HA -0.120 4.220 4.340 0.000 0.000 0.206 238 Q C 0.636 176.305 176.000 -0.551 0.000 0.980 238 Q CA 2.197 57.310 55.803 -1.151 0.000 0.869 238 Q CB -0.257 28.048 28.738 -0.722 0.000 0.912 238 Q HN 0.832 nan 8.270 nan 0.000 0.436 239 T N -3.190 111.172 114.554 -0.321 0.000 3.086 239 T HA 0.106 4.457 4.350 0.000 0.000 0.250 239 T C 0.127 174.740 174.700 -0.145 0.000 1.074 239 T CA -0.065 61.918 62.100 -0.196 0.000 0.988 239 T CB 0.220 69.011 68.868 -0.127 0.000 0.988 239 T HN -0.005 nan 8.240 nan 0.000 0.530 240 N N 1.807 120.420 118.700 -0.145 0.000 2.732 240 N HA 0.271 5.011 4.740 0.000 0.000 0.247 240 N C -0.741 174.732 175.510 -0.062 0.000 1.305 240 N CA -0.235 52.766 53.050 -0.082 0.000 0.762 240 N CB 1.504 39.964 38.487 -0.045 0.000 1.361 240 N HN 0.435 nan 8.380 nan 0.000 0.545 241 T N -0.529 113.988 114.554 -0.062 0.000 2.936 241 T HA 0.644 4.994 4.350 0.000 0.000 0.282 241 T C 0.239 174.950 174.700 0.019 0.000 1.003 241 T CA -0.719 61.382 62.100 0.002 0.000 1.005 241 T CB 0.916 69.776 68.868 -0.014 0.000 1.097 241 T HN 0.196 nan 8.240 nan 0.000 0.532 242 I N 2.024 122.631 120.570 0.063 0.000 2.330 242 I HA 0.252 4.422 4.170 0.000 0.000 0.286 242 I C 0.333 176.504 176.117 0.090 0.000 1.025 242 I CA -0.694 60.628 61.300 0.038 0.000 1.197 242 I CB 1.127 39.126 38.000 -0.002 0.000 1.358 242 I HN 0.931 nan 8.210 nan 0.000 0.467 243 S N 4.504 120.242 115.700 0.063 0.000 3.533 243 S HA -0.240 4.230 4.470 0.000 0.000 0.347 243 S C 1.277 175.919 174.600 0.069 0.000 1.101 243 S CA 0.887 59.153 58.200 0.110 0.000 1.009 243 S CB -1.285 62.033 63.200 0.198 0.000 0.916 243 S HN 1.307 nan 8.310 nan 0.000 0.496 244 G N -1.149 107.605 108.800 -0.078 0.000 2.241 244 G HA2 -0.288 3.672 3.960 0.000 0.000 0.244 244 G HA3 -0.288 3.672 3.960 0.000 0.000 0.244 244 G C -0.064 174.679 174.900 -0.261 0.000 0.998 244 G CA 0.121 44.987 45.100 -0.391 0.000 0.621 244 G HN 0.624 nan 8.290 nan 0.000 0.519 245 F N 0.826 120.879 119.950 0.172 0.000 2.397 245 F HA 0.755 5.282 4.527 0.000 0.000 0.331 245 F C 0.425 176.332 175.800 0.179 0.000 1.090 245 F CA -0.547 57.544 58.000 0.151 0.000 1.065 245 F CB 1.266 40.234 39.000 -0.054 0.000 1.184 245 F HN 0.377 nan 8.300 nan 0.000 0.499 246 Y N -0.351 120.047 120.300 0.163 0.000 2.604 246 Y HA 0.630 5.180 4.550 0.000 0.000 0.331 246 Y C -2.031 173.905 175.900 0.059 0.000 1.158 246 Y CA -2.564 55.608 58.100 0.119 0.000 1.056 246 Y CB 0.373 38.922 38.460 0.147 0.000 1.330 246 Y HN 0.385 nan 8.280 nan 0.000 0.457 247 F N 1.767 121.874 119.950 0.262 0.000 2.379 247 F HA 0.663 5.190 4.527 0.000 0.000 0.332 247 F C 0.641 176.802 175.800 0.601 0.000 1.096 247 F CA -0.192 57.993 58.000 0.309 0.000 1.105 247 F CB 1.955 41.161 39.000 0.344 0.000 1.189 247 F HN 0.623 nan 8.300 nan 0.000 0.515 248 S N 1.592 117.741 115.700 0.748 0.000 2.536 248 S HA 0.635 5.105 4.470 0.000 0.000 0.287 248 S C -1.136 173.635 174.600 0.284 0.000 1.101 248 S CA -0.495 58.063 58.200 0.596 0.000 0.950 248 S CB 1.551 65.084 63.200 0.554 0.000 1.056 248 S HN 0.590 nan 8.310 nan 0.000 0.481 249 S N 2.867 118.487 115.700 -0.134 0.000 2.557 249 S HA 0.439 4.909 4.470 0.000 0.000 0.291 249 S C 0.691 175.175 174.600 -0.194 0.000 1.116 249 S CA -0.686 57.275 58.200 -0.398 0.000 0.992 249 S CB 1.248 63.747 63.200 -1.168 0.000 1.028 249 S HN 0.790 nan 8.310 nan 0.000 0.484 250 K N 1.224 121.553 120.400 -0.118 0.000 2.032 250 K HA -0.061 4.260 4.320 0.000 0.000 0.209 250 K C 1.136 177.715 176.600 -0.035 0.000 1.048 250 K CA 1.681 57.922 56.287 -0.077 0.000 0.927 250 K CB -0.258 32.217 32.500 -0.042 0.000 0.712 250 K HN 0.811 nan 8.250 nan 0.000 0.441 251 T N -1.321 113.209 114.554 -0.040 0.000 2.948 251 T HA 0.547 4.897 4.350 0.000 0.000 0.285 251 T C -0.699 174.016 174.700 0.025 0.000 1.019 251 T CA -1.006 61.099 62.100 0.008 0.000 1.013 251 T CB 2.002 70.844 68.868 -0.043 0.000 1.117 251 T HN -0.017 nan 8.240 nan 0.000 0.533 252 R N -0.678 119.846 120.500 0.039 0.000 2.510 252 R HA 0.569 4.909 4.340 0.000 0.000 0.287 252 R C 0.503 176.780 176.300 -0.039 0.000 1.084 252 R CA 0.641 56.722 56.100 -0.032 0.000 0.934 252 R CB 0.875 31.084 30.300 -0.153 0.000 1.201 252 R HN 1.418 nan 8.270 nan 0.000 0.431 253 G N 2.545 111.343 108.800 -0.002 0.000 2.176 253 G HA2 -0.292 3.668 3.960 0.000 0.000 0.232 253 G HA3 -0.292 3.668 3.960 0.000 0.000 0.232 253 G C -0.257 174.698 174.900 0.091 0.000 0.986 253 G CA 0.480 45.617 45.100 0.062 0.000 0.643 253 G HN 0.736 nan 8.290 nan 0.000 0.522 254 Q N -1.617 118.113 119.800 -0.117 0.000 2.962 254 Q HA 0.880 5.221 4.340 0.000 0.000 0.282 254 Q C 1.600 177.032 176.000 -0.947 0.000 1.058 254 Q CA 0.187 55.692 55.803 -0.496 0.000 0.854 254 Q CB 0.828 29.434 28.738 -0.219 0.000 1.441 254 Q HN 0.839 nan 8.270 nan 0.000 0.497 255 A N 0.045 122.138 122.820 -1.211 0.000 1.969 255 A HA 0.000 4.321 4.320 0.000 0.000 0.218 255 A C 1.796 179.187 177.584 -0.323 0.000 1.169 255 A CA 1.105 52.625 52.037 -0.861 0.000 0.635 255 A CB -0.807 17.923 19.000 -0.451 0.000 0.810 255 A HN 0.630 nan 8.150 nan 0.000 0.445 256 L N -0.210 120.872 121.223 -0.234 0.000 2.554 256 L HA 0.031 4.371 4.340 0.000 0.000 0.226 256 L C -0.285 176.528 176.870 -0.095 0.000 1.137 256 L CA -0.413 54.358 54.840 -0.116 0.000 0.863 256 L CB -0.637 41.371 42.059 -0.084 0.000 0.985 256 L HN 0.167 nan 8.230 nan 0.000 0.451 257 D N 0.957 121.286 120.400 -0.118 0.000 2.730 257 D HA -0.009 4.632 4.640 0.000 0.000 0.225 257 D C 0.252 176.517 176.300 -0.058 0.000 1.107 257 D CA 0.956 54.891 54.000 -0.108 0.000 0.837 257 D CB 0.384 41.196 40.800 0.020 0.000 1.171 257 D HN -0.027 nan 8.370 nan 0.000 0.498 258 S N 2.022 117.616 115.700 -0.178 0.000 2.605 258 S HA 0.394 4.864 4.470 0.000 0.000 0.279 258 S C -1.921 172.650 174.600 -0.049 0.000 1.166 258 S CA -0.829 57.366 58.200 -0.009 0.000 0.975 258 S CB 0.190 63.408 63.200 0.030 0.000 1.111 258 S HN 0.396 nan 8.310 nan 0.000 0.465 259 W N 3.224 124.690 121.300 0.276 0.000 2.376 259 W HA 0.531 5.191 4.660 0.000 0.000 0.312 259 W C 0.206 176.943 176.519 0.362 0.000 1.060 259 W CA -0.402 57.152 57.345 0.348 0.000 1.221 259 W CB 1.859 31.551 29.460 0.386 0.000 1.281 259 W HN 0.462 nan 8.180 nan 0.000 0.456 260 T N 4.086 118.915 114.554 0.457 0.000 2.855 260 T HA 0.426 4.776 4.350 0.000 0.000 0.281 260 T C -1.037 173.507 174.700 -0.260 0.000 1.007 260 T CA -0.751 61.367 62.100 0.030 0.000 1.009 260 T CB 1.389 70.060 68.868 -0.328 0.000 0.983 260 T HN 0.222 nan 8.240 nan 0.000 0.455 261 L N 3.731 124.639 121.223 -0.525 0.000 2.281 261 L HA 0.619 4.960 4.340 0.000 0.000 0.285 261 L C -1.572 174.713 176.870 -0.976 0.000 1.074 261 L CA 0.022 54.370 54.840 -0.820 0.000 0.817 261 L CB -0.423 41.272 42.059 -0.605 0.000 1.168 261 L HN 0.459 nan 8.230 nan 0.000 0.434 262 F N 4.534 124.159 119.950 -0.541 0.000 2.579 262 F HA 0.487 5.014 4.527 0.000 0.000 0.324 262 F C -0.691 175.097 175.800 -0.019 0.000 1.058 262 F CA -0.598 57.148 58.000 -0.422 0.000 0.944 262 F CB 1.495 40.129 39.000 -0.609 0.000 1.245 262 F HN 0.358 nan 8.300 nan 0.000 0.477 263 Y N -0.097 120.504 120.300 0.502 0.000 2.485 263 Y HA 0.693 5.243 4.550 0.000 0.000 0.345 263 Y C -0.802 175.212 175.900 0.190 0.000 0.998 263 Y CA -0.685 57.511 58.100 0.160 0.000 1.059 263 Y CB 2.143 40.568 38.460 -0.058 0.000 1.234 263 Y HN 0.557 nan 8.280 nan 0.000 0.461 264 T N 3.642 117.749 114.554 -0.744 0.000 2.921 264 T HA 0.208 4.558 4.350 0.000 0.000 0.297 264 T C 0.331 174.527 174.700 -0.840 0.000 1.013 264 T CA -0.410 61.380 62.100 -0.516 0.000 0.990 264 T CB 1.745 70.481 68.868 -0.220 0.000 1.023 264 T HN 0.792 nan 8.240 nan 0.000 0.447 265 T N 2.171 116.446 114.554 -0.464 0.000 2.978 265 T HA -0.030 4.320 4.350 0.000 0.000 0.262 265 T C 1.822 176.407 174.700 -0.192 0.000 1.063 265 T CA 0.796 62.729 62.100 -0.277 0.000 1.140 265 T CB 0.012 68.819 68.868 -0.102 0.000 0.886 265 T HN 0.716 nan 8.240 nan 0.000 0.470 266 N N 1.028 119.624 118.700 -0.173 0.000 2.197 266 N HA 0.013 4.753 4.740 0.000 0.000 0.201 266 N C 0.566 176.005 175.510 -0.118 0.000 1.148 266 N CA -0.036 52.944 53.050 -0.118 0.000 0.883 266 N CB 0.116 38.548 38.487 -0.093 0.000 1.012 266 N HN 0.390 nan 8.380 nan 0.000 0.507 267 T N -1.194 113.271 114.554 -0.150 0.000 2.927 267 T HA 0.268 4.619 4.350 0.000 0.000 0.281 267 T C 0.042 174.668 174.700 -0.124 0.000 0.998 267 T CA -0.793 61.224 62.100 -0.139 0.000 1.019 267 T CB 1.295 70.060 68.868 -0.173 0.000 1.061 267 T HN 0.058 nan 8.240 nan 0.000 0.518 268 N N 0.713 119.353 118.700 -0.101 0.000 2.292 268 N HA -0.007 4.733 4.740 0.000 0.000 0.258 268 N C -0.443 175.021 175.510 -0.077 0.000 1.261 268 N CA 0.191 53.195 53.050 -0.077 0.000 0.845 268 N CB 0.168 38.617 38.487 -0.063 0.000 1.064 268 N HN 0.475 nan 8.380 nan 0.000 0.471 269 R N 2.670 123.135 120.500 -0.059 0.000 2.338 269 R HA 0.298 4.638 4.340 0.000 0.000 0.317 269 R C -0.242 176.041 176.300 -0.027 0.000 0.968 269 R CA -1.065 55.008 56.100 -0.044 0.000 0.849 269 R CB 1.034 31.311 30.300 -0.038 0.000 1.128 269 R HN 0.472 nan 8.270 nan 0.000 0.448 270 V N 0.916 120.817 119.914 -0.022 0.000 3.139 270 V HA 0.040 4.161 4.120 0.000 0.000 0.307 270 V C -0.087 176.002 176.094 -0.009 0.000 1.095 270 V CA -0.194 62.097 62.300 -0.016 0.000 1.160 270 V CB 0.509 32.322 31.823 -0.017 0.000 1.003 270 V HN 0.739 nan 8.190 nan 0.000 0.489 271 Q N 2.909 122.708 119.800 -0.002 0.000 2.394 271 Q HA 0.555 4.896 4.340 0.000 0.000 0.261 271 Q C -0.910 175.102 176.000 0.019 0.000 1.023 271 Q CA -0.348 55.459 55.803 0.007 0.000 0.720 271 Q CB 1.804 30.546 28.738 0.008 0.000 1.241 271 Q HN 0.786 nan 8.270 nan 0.000 0.483 272 I N 1.292 121.874 120.570 0.020 0.000 2.471 272 I HA 0.016 4.186 4.170 0.000 0.000 0.286 272 I C 1.110 177.261 176.117 0.058 0.000 1.079 272 I CA 0.413 61.745 61.300 0.054 0.000 1.398 272 I CB 1.101 39.124 38.000 0.038 0.000 1.403 272 I HN 0.600 nan 8.210 nan 0.000 0.530 273 T N 4.876 119.476 114.554 0.077 0.000 3.015 273 T HA 0.076 4.427 4.350 0.000 0.000 0.250 273 T C 0.212 174.903 174.700 -0.016 0.000 1.057 273 T CA 0.290 62.409 62.100 0.032 0.000 1.066 273 T CB 0.149 69.038 68.868 0.035 0.000 0.959 273 T HN 0.785 nan 8.240 nan 0.000 0.488 274 Q N -0.289 119.477 119.800 -0.056 0.000 2.648 274 Q HA 0.479 4.819 4.340 0.000 0.000 0.300 274 Q C -1.095 174.740 176.000 -0.275 0.000 0.954 274 Q CA -1.123 54.567 55.803 -0.189 0.000 0.757 274 Q CB 1.429 30.005 28.738 -0.269 0.000 1.482 274 Q HN -0.016 nan 8.270 nan 0.000 0.437 275 R N 0.702 121.047 120.500 -0.259 0.000 2.543 275 R HA 0.231 4.571 4.340 0.000 0.000 0.277 275 R C -0.933 175.074 176.300 -0.488 0.000 1.074 275 R CA 0.164 56.149 56.100 -0.193 0.000 1.076 275 R CB 0.532 30.764 30.300 -0.113 0.000 0.993 275 R HN 0.605 nan 8.270 nan 0.000 0.459 276 H N 3.613 122.519 119.070 -0.272 0.000 2.717 276 H HA 0.328 4.884 4.556 0.000 0.000 0.366 276 H C -1.474 173.528 175.328 -0.543 0.000 1.132 276 H CA -0.533 55.110 56.048 -0.674 0.000 1.180 276 H CB 1.853 30.773 29.762 -1.403 0.000 1.678 276 H HN 0.504 nan 8.280 nan 0.000 0.537 277 F N 1.549 121.248 119.950 -0.418 0.000 2.596 277 F HA 0.625 5.153 4.527 0.000 0.000 0.311 277 F C -1.691 174.188 175.800 0.131 0.000 1.116 277 F CA -0.396 57.513 58.000 -0.151 0.000 0.957 277 F CB 1.546 40.383 39.000 -0.271 0.000 1.250 277 F HN 0.668 nan 8.300 nan 0.000 0.444 278 A N 3.795 126.073 122.820 -0.904 0.000 2.572 278 A HA 0.694 5.014 4.320 0.000 0.000 0.295 278 A C -2.425 174.496 177.584 -1.105 0.000 1.072 278 A CA -0.537 51.081 52.037 -0.698 0.000 0.691 278 A CB 0.933 19.824 19.000 -0.182 0.000 1.291 278 A HN 0.643 nan 8.150 nan 0.000 0.404 279 Y N 0.643 120.738 120.300 -0.341 0.000 2.327 279 Y HA 0.493 5.043 4.550 0.000 0.000 0.336 279 Y C 0.151 176.085 175.900 0.057 0.000 1.035 279 Y CA -0.411 57.654 58.100 -0.058 0.000 1.165 279 Y CB 1.634 40.228 38.460 0.223 0.000 1.181 279 Y HN 0.399 nan 8.280 nan 0.000 0.494 280 V N 3.545 123.594 119.914 0.224 0.000 2.540 280 V HA 0.515 4.636 4.120 0.000 0.000 0.302 280 V C -0.277 176.041 176.094 0.374 0.000 1.035 280 V CA -1.150 61.298 62.300 0.246 0.000 0.873 280 V CB 1.283 33.194 31.823 0.148 0.000 0.992 280 V HN 0.959 nan 8.190 nan 0.000 0.428 281 C N 2.475 121.980 119.300 0.342 0.000 2.529 281 C HA 0.967 5.427 4.460 0.000 0.000 0.329 281 C C 0.499 175.568 174.990 0.131 0.000 1.194 281 C CA -0.769 58.436 59.018 0.311 0.000 1.779 281 C CB 1.003 28.790 27.740 0.079 0.000 2.322 281 C HN 1.220 nan 8.230 nan 0.000 0.500 282 A N 2.371 125.047 122.820 -0.241 0.000 2.362 282 A HA 0.522 4.842 4.320 0.000 0.000 0.276 282 A C 1.267 178.607 177.584 -0.407 0.000 1.153 282 A CA -0.370 51.206 52.037 -0.770 0.000 0.813 282 A CB 0.144 18.338 19.000 -1.342 0.000 1.081 282 A HN 1.123 nan 8.150 nan 0.000 0.507 283 R N 2.162 122.487 120.500 -0.292 0.000 2.112 283 R HA 0.012 4.352 4.340 0.000 0.000 0.216 283 R C 0.555 176.703 176.300 -0.253 0.000 1.080 283 R CA 1.340 57.315 56.100 -0.209 0.000 0.996 283 R CB -0.053 30.162 30.300 -0.141 0.000 0.902 283 R HN 0.701 nan 8.270 nan 0.000 0.449 284 S N 0.354 115.877 115.700 -0.296 0.000 2.578 284 S HA 0.367 4.837 4.470 0.000 0.000 0.283 284 S C -2.178 172.088 174.600 -0.557 0.000 1.195 284 S CA -1.659 56.239 58.200 -0.503 0.000 1.050 284 S CB 1.904 64.886 63.200 -0.364 0.000 1.012 284 S HN 0.002 nan 8.310 nan 0.000 0.511 285 P HA -0.018 nan 4.420 nan 0.000 0.234 285 P C 0.355 177.162 177.300 -0.822 0.000 1.167 285 P CA 0.734 63.211 63.100 -1.038 0.000 0.763 285 P CB -0.283 30.249 31.700 -1.946 0.000 0.835 286 D N -1.177 118.916 120.400 -0.512 0.000 2.378 286 D HA -0.182 4.459 4.640 0.000 0.000 0.227 286 D C 1.676 177.880 176.300 -0.160 0.000 1.012 286 D CA 0.146 54.008 54.000 -0.230 0.000 0.905 286 D CB -1.470 39.364 40.800 0.057 0.000 0.895 286 D HN 0.404 nan 8.370 nan 0.000 0.532 287 W N 1.580 122.730 121.300 -0.250 0.000 2.342 287 W HA -0.155 4.505 4.660 0.000 0.000 0.297 287 W C 0.978 177.459 176.519 -0.064 0.000 1.213 287 W CA 0.460 57.690 57.345 -0.192 0.000 1.251 287 W CB -1.157 28.096 29.460 -0.344 0.000 1.136 287 W HN -0.103 nan 8.180 nan 0.000 0.526 288 N N 1.457 119.482 118.700 -1.125 0.000 2.182 288 N HA -0.190 4.550 4.740 0.000 0.000 0.192 288 N C 1.632 176.960 175.510 -0.303 0.000 1.007 288 N CA 2.268 54.688 53.050 -1.051 0.000 0.873 288 N CB -0.444 37.336 38.487 -1.179 0.000 0.998 288 N HN 0.203 nan 8.380 nan 0.000 0.436 289 V N 0.279 120.115 119.914 -0.130 0.000 3.621 289 V HA 0.038 4.158 4.120 0.000 0.000 0.285 289 V C -0.162 176.089 176.094 0.261 0.000 1.346 289 V CA 0.123 62.536 62.300 0.187 0.000 1.104 289 V CB 0.114 32.086 31.823 0.249 0.000 0.913 289 V HN 0.030 nan 8.190 nan 0.000 0.432 290 D N 0.480 121.037 120.400 0.262 0.000 2.428 290 D HA 0.182 4.822 4.640 0.000 0.000 0.221 290 D C 1.068 177.581 176.300 0.356 0.000 1.123 290 D CA -0.137 54.084 54.000 0.368 0.000 0.869 290 D CB 1.333 42.399 40.800 0.444 0.000 1.032 290 D HN 0.229 nan 8.370 nan 0.000 0.506 291 K N 1.060 121.638 120.400 0.298 0.000 2.211 291 K HA -0.049 4.272 4.320 0.000 0.000 0.203 291 K C 1.698 178.396 176.600 0.163 0.000 1.050 291 K CA 0.635 57.051 56.287 0.214 0.000 0.945 291 K CB 0.350 32.955 32.500 0.176 0.000 0.732 291 K HN 0.189 nan 8.250 nan 0.000 0.451 292 S N 0.195 116.029 115.700 0.224 0.000 2.371 292 S HA -0.088 4.382 4.470 0.000 0.000 0.221 292 S C 1.292 175.713 174.600 -0.298 0.000 1.036 292 S CA 0.274 58.479 58.200 0.008 0.000 0.965 292 S CB -0.164 63.159 63.200 0.205 0.000 0.845 292 S HN 0.455 nan 8.310 nan 0.000 0.475 293 W N 2.292 123.523 121.300 -0.115 0.000 2.338 293 W HA -0.114 4.546 4.660 0.000 0.000 0.304 293 W C 1.642 178.153 176.519 -0.013 0.000 1.212 293 W CA 1.165 58.488 57.345 -0.036 0.000 1.264 293 W CB -0.530 29.034 29.460 0.173 0.000 1.142 293 W HN 0.272 nan 8.180 nan 0.000 0.512 294 I N 0.640 121.391 120.570 0.302 0.000 2.286 294 I HA -0.260 3.910 4.170 0.000 0.000 0.245 294 I C 2.717 178.853 176.117 0.032 0.000 1.104 294 I CA 1.332 62.770 61.300 0.231 0.000 1.397 294 I CB -1.008 37.166 38.000 0.291 0.000 1.072 294 I HN -0.145 nan 8.210 nan 0.000 0.417 295 A N 0.955 123.732 122.820 -0.072 0.000 1.873 295 A HA -0.268 4.052 4.320 0.000 0.000 0.218 295 A C 2.529 179.959 177.584 -0.256 0.000 1.193 295 A CA 2.303 54.205 52.037 -0.225 0.000 0.629 295 A CB -1.000 17.740 19.000 -0.433 0.000 0.826 295 A HN 0.440 nan 8.150 nan 0.000 0.447 296 A N -0.521 122.124 122.820 -0.291 0.000 1.930 296 A HA 0.224 4.544 4.320 0.000 0.000 0.217 296 A C 2.482 179.974 177.584 -0.152 0.000 1.175 296 A CA 1.936 53.836 52.037 -0.229 0.000 0.627 296 A CB -0.950 17.808 19.000 -0.404 0.000 0.815 296 A HN 1.122 nan 8.150 nan 0.000 0.443 297 A N 0.173 122.906 122.820 -0.145 0.000 1.972 297 A HA -0.188 4.132 4.320 0.000 0.000 0.219 297 A C 1.983 179.575 177.584 0.012 0.000 1.169 297 A CA 1.560 53.576 52.037 -0.035 0.000 0.635 297 A CB -0.626 18.404 19.000 0.051 0.000 0.810 297 A HN 0.632 nan 8.150 nan 0.000 0.446 298 N N -0.074 118.622 118.700 -0.007 0.000 2.142 298 N HA -0.058 4.682 4.740 0.000 0.000 0.186 298 N C 1.763 177.263 175.510 -0.016 0.000 1.023 298 N CA 1.272 54.322 53.050 0.000 0.000 0.852 298 N CB -0.235 38.243 38.487 -0.014 0.000 0.998 298 N HN 0.443 nan 8.380 nan 0.000 0.424 299 L N 0.983 122.178 121.223 -0.047 0.000 2.046 299 L HA -0.163 4.178 4.340 0.000 0.000 0.208 299 L C 2.357 179.228 176.870 0.001 0.000 1.077 299 L CA 1.190 56.009 54.840 -0.035 0.000 0.747 299 L CB -0.963 41.072 42.059 -0.040 0.000 0.896 299 L HN 0.174 nan 8.230 nan 0.000 0.432 300 T N 0.124 114.698 114.554 0.034 0.000 2.653 300 T HA -0.273 4.077 4.350 0.000 0.000 0.268 300 T C 1.952 176.695 174.700 0.071 0.000 1.035 300 T CA 1.637 63.791 62.100 0.090 0.000 1.154 300 T CB -0.289 68.667 68.868 0.147 0.000 0.862 300 T HN 0.497 nan 8.240 nan 0.000 0.441 301 A N 0.877 123.734 122.820 0.063 0.000 1.940 301 A HA -0.061 4.259 4.320 0.000 0.000 0.219 301 A C 2.284 179.878 177.584 0.017 0.000 1.176 301 A CA 1.389 53.456 52.037 0.051 0.000 0.631 301 A CB -0.756 18.272 19.000 0.046 0.000 0.814 301 A HN 0.582 nan 8.150 nan 0.000 0.446 302 I N -0.843 119.728 120.570 0.002 0.000 2.202 302 I HA -0.189 3.981 4.170 0.000 0.000 0.242 302 I C 2.356 178.455 176.117 -0.029 0.000 1.091 302 I CA 1.027 62.322 61.300 -0.008 0.000 1.368 302 I CB -0.570 37.416 38.000 -0.024 0.000 1.058 302 I HN 0.139 nan 8.210 nan 0.000 0.410 303 V N 1.020 120.889 119.914 -0.075 0.000 2.255 303 V HA -0.327 3.793 4.120 0.000 0.000 0.247 303 V C 2.531 178.494 176.094 -0.220 0.000 1.051 303 V CA 2.178 64.368 62.300 -0.183 0.000 1.018 303 V CB -0.486 31.165 31.823 -0.288 0.000 0.641 303 V HN 0.393 nan 8.190 nan 0.000 0.445 304 M N -0.405 119.099 119.600 -0.160 0.000 2.279 304 M HA -0.127 4.354 4.480 0.000 0.000 0.264 304 M C 2.156 178.489 176.300 0.055 0.000 1.062 304 M CA 1.834 57.111 55.300 -0.038 0.000 1.099 304 M CB -0.498 32.178 32.600 0.126 0.000 1.394 304 M HN 0.408 nan 8.290 nan 0.000 0.426 305 A N -0.205 122.663 122.820 0.080 0.000 2.067 305 A HA -0.104 4.216 4.320 0.000 0.000 0.217 305 A C 2.190 179.863 177.584 0.149 0.000 1.156 305 A CA 1.245 53.413 52.037 0.219 0.000 0.683 305 A CB -0.861 18.279 19.000 0.233 0.000 0.808 305 A HN 0.772 nan 8.150 nan 0.000 0.455 306 C N -0.610 118.718 119.300 0.048 0.000 2.618 306 C HA 0.527 4.987 4.460 0.000 0.000 0.264 306 C C 1.074 176.046 174.990 -0.030 0.000 1.334 306 C CA -0.194 58.831 59.018 0.013 0.000 1.731 306 C CB -1.612 26.126 27.740 -0.004 0.000 1.852 306 C HN 0.620 nan 8.230 nan 0.000 0.566 307 R N -1.033 119.443 120.500 -0.040 0.000 2.885 307 R HA 0.582 4.922 4.340 0.000 0.000 0.260 307 R C -1.209 175.060 176.300 -0.051 0.000 1.107 307 R CA -0.618 55.447 56.100 -0.058 0.000 0.978 307 R CB 0.290 30.549 30.300 -0.068 0.000 1.227 307 R HN -0.015 nan 8.270 nan 0.000 0.473 308 Q N 1.844 121.610 119.800 -0.057 0.000 2.421 308 Q HA 0.329 4.669 4.340 0.000 0.000 0.242 308 Q C -2.074 173.909 176.000 -0.028 0.000 1.024 308 Q CA -1.800 53.978 55.803 -0.042 0.000 0.891 308 Q CB 1.449 30.152 28.738 -0.058 0.000 1.222 308 Q HN 0.461 nan 8.270 nan 0.000 0.483 309 P HA 0.328 nan 4.420 nan 0.000 0.277 309 P C -2.483 174.768 177.300 -0.082 0.000 1.271 309 P CA -1.630 61.493 63.100 0.039 0.000 0.795 309 P CB -0.344 31.476 31.700 0.200 0.000 1.101 310 P HA 0.005 nan 4.420 nan 0.000 0.266 310 P C -0.505 176.688 177.300 -0.178 0.000 1.193 310 P CA 0.276 63.212 63.100 -0.275 0.000 0.770 310 P CB 0.079 31.432 31.700 -0.579 0.000 0.836 311 V N 4.002 123.825 119.914 -0.151 0.000 2.498 311 V HA 0.171 4.291 4.120 0.000 0.000 0.279 311 V C 0.417 176.439 176.094 -0.120 0.000 1.048 311 V CA -0.155 62.044 62.300 -0.168 0.000 0.967 311 V CB -0.341 31.439 31.823 -0.073 0.000 0.988 311 V HN 0.333 nan 8.190 nan 0.000 0.473 312 F N 2.538 122.398 119.950 -0.149 0.000 2.459 312 F HA 0.465 4.992 4.527 0.000 0.000 0.346 312 F C 1.024 176.785 175.800 -0.065 0.000 1.128 312 F CA -0.043 57.872 58.000 -0.142 0.000 1.268 312 F CB 0.522 39.287 39.000 -0.392 0.000 1.161 312 F HN 0.576 nan 8.300 nan 0.000 0.583 313 A N 2.894 125.838 122.820 0.206 0.000 2.488 313 A HA 0.097 4.418 4.320 0.000 0.000 0.249 313 A C 1.334 178.962 177.584 0.074 0.000 1.083 313 A CA -0.530 51.573 52.037 0.110 0.000 0.768 313 A CB -0.053 18.998 19.000 0.085 0.000 1.017 313 A HN 0.831 nan 8.150 nan 0.000 0.496 314 N N 1.292 120.023 118.700 0.052 0.000 2.132 314 N HA -0.244 4.496 4.740 0.000 0.000 0.191 314 N C 1.878 177.393 175.510 0.009 0.000 1.015 314 N CA 2.076 55.146 53.050 0.034 0.000 0.864 314 N CB -0.238 38.270 38.487 0.035 0.000 1.006 314 N HN 0.938 nan 8.380 nan 0.000 0.430 315 Q N -0.599 119.205 119.800 0.007 0.000 2.472 315 Q HA 0.058 4.398 4.340 0.000 0.000 0.208 315 Q C 1.416 177.399 176.000 -0.028 0.000 0.958 315 Q CA 1.148 56.947 55.803 -0.008 0.000 0.932 315 Q CB -0.141 28.594 28.738 -0.005 0.000 1.007 315 Q HN 0.193 nan 8.270 nan 0.000 0.508 316 G N 1.143 109.923 108.800 -0.033 0.000 2.985 316 G HA2 0.245 4.205 3.960 0.000 0.000 0.209 316 G HA3 0.245 4.205 3.960 0.000 0.000 0.209 316 G C 0.248 175.048 174.900 -0.168 0.000 1.165 316 G CA 0.490 45.545 45.100 -0.073 0.000 0.776 316 G HN 0.296 nan 8.290 nan 0.000 0.541 317 V N -1.489 118.340 119.914 -0.142 0.000 3.040 317 V HA 0.720 4.840 4.120 0.000 0.000 0.312 317 V C 0.317 176.365 176.094 -0.076 0.000 1.115 317 V CA -1.924 60.277 62.300 -0.164 0.000 0.998 317 V CB 1.786 33.493 31.823 -0.194 0.000 1.042 317 V HN 0.298 nan 8.190 nan 0.000 0.433 318 I N 0.600 121.135 120.570 -0.059 0.000 3.112 318 I HA 0.279 4.449 4.170 0.000 0.000 0.284 318 I C 1.247 177.368 176.117 0.007 0.000 1.227 318 I CA 0.014 61.308 61.300 -0.009 0.000 1.369 318 I CB 0.202 38.221 38.000 0.032 0.000 1.376 318 I HN 0.701 nan 8.210 nan 0.000 0.608 319 N N 2.341 121.059 118.700 0.030 0.000 2.149 319 N HA -0.196 4.544 4.740 0.000 0.000 0.188 319 N C 1.536 177.089 175.510 0.073 0.000 1.019 319 N CA 1.657 54.734 53.050 0.044 0.000 0.857 319 N CB -0.476 38.035 38.487 0.041 0.000 0.997 319 N HN 0.661 nan 8.380 nan 0.000 0.426 320 Q N 0.026 119.891 119.800 0.108 0.000 2.369 320 Q HA 0.184 4.524 4.340 0.000 0.000 0.206 320 Q C 1.504 177.604 176.000 0.166 0.000 0.963 320 Q CA 1.050 56.963 55.803 0.184 0.000 0.894 320 Q CB 0.032 28.917 28.738 0.245 0.000 0.965 320 Q HN 0.372 nan 8.270 nan 0.000 0.475 321 A N -0.090 122.687 122.820 -0.072 0.000 2.275 321 A HA 0.051 4.371 4.320 0.000 0.000 0.212 321 A C 0.412 178.075 177.584 0.131 0.000 1.201 321 A CA -0.138 51.740 52.037 -0.264 0.000 0.843 321 A CB 0.160 18.786 19.000 -0.623 0.000 0.873 321 A HN 0.236 nan 8.150 nan 0.000 0.492 322 Q N 0.514 120.378 119.800 0.106 0.000 2.340 322 Q HA 0.222 4.562 4.340 0.000 0.000 0.249 322 Q C -0.371 175.685 176.000 0.094 0.000 0.957 322 Q CA -0.456 55.406 55.803 0.098 0.000 0.882 322 Q CB 0.365 29.140 28.738 0.062 0.000 1.235 322 Q HN 0.467 nan 8.270 nan 0.000 0.439 323 N N 1.238 119.979 118.700 0.069 0.000 2.758 323 N HA -0.181 4.559 4.740 0.000 0.000 0.248 323 N C -1.075 174.410 175.510 -0.041 0.000 1.076 323 N CA 0.703 53.768 53.050 0.024 0.000 0.696 323 N CB -0.692 37.809 38.487 0.022 0.000 0.979 323 N HN 0.433 nan 8.380 nan 0.000 0.550 324 R N 1.224 121.677 120.500 -0.078 0.000 2.229 324 R HA 0.389 4.729 4.340 0.000 0.000 0.332 324 R C -2.528 173.666 176.300 -0.177 0.000 0.989 324 R CA -1.707 54.198 56.100 -0.325 0.000 0.842 324 R CB 0.727 30.486 30.300 -0.902 0.000 1.119 324 R HN -0.104 nan 8.270 nan 0.000 0.456 325 P HA 0.059 nan 4.420 nan 0.000 0.260 325 P C 0.325 177.593 177.300 -0.053 0.000 1.185 325 P CA 1.250 64.300 63.100 -0.083 0.000 0.763 325 P CB 0.790 32.441 31.700 -0.082 0.000 0.776 326 G N 2.096 110.890 108.800 -0.010 0.000 2.199 326 G HA2 -0.353 3.607 3.960 0.000 0.000 0.254 326 G HA3 -0.353 3.607 3.960 0.000 0.000 0.254 326 G C 0.479 175.432 174.900 0.088 0.000 0.982 326 G CA 0.263 45.372 45.100 0.015 0.000 0.632 326 G HN 0.522 nan 8.290 nan 0.000 0.529 327 F N 1.745 121.663 119.950 -0.053 0.000 2.537 327 F HA 0.493 5.020 4.527 0.000 0.000 0.275 327 F C 1.144 177.045 175.800 0.168 0.000 0.947 327 F CA 1.429 59.462 58.000 0.054 0.000 1.238 327 F CB 0.582 39.573 39.000 -0.014 0.000 1.071 327 F HN 0.532 nan 8.300 nan 0.000 0.749 328 S N 1.680 117.479 115.700 0.165 0.000 2.541 328 S HA 0.719 5.189 4.470 0.000 0.000 0.280 328 S C -0.783 173.861 174.600 0.073 0.000 1.112 328 S CA -0.668 57.602 58.200 0.117 0.000 0.925 328 S CB 1.978 65.305 63.200 0.212 0.000 1.067 328 S HN 0.373 nan 8.310 nan 0.000 0.479 329 M N 0.765 120.399 119.600 0.056 0.000 2.520 329 M HA 0.584 5.065 4.480 0.000 0.000 0.280 329 M C -1.637 174.686 176.300 0.038 0.000 1.232 329 M CA -0.863 54.459 55.300 0.036 0.000 0.892 329 M CB 1.558 34.170 32.600 0.020 0.000 1.728 329 M HN 0.410 nan 8.290 nan 0.000 0.475 330 N N 1.269 119.986 118.700 0.029 0.000 2.468 330 N HA 0.265 5.006 4.740 0.000 0.000 0.265 330 N C 0.898 176.423 175.510 0.025 0.000 1.199 330 N CA 1.656 54.722 53.050 0.027 0.000 0.928 330 N CB 0.987 39.486 38.487 0.021 0.000 1.059 330 N HN 1.076 nan 8.380 nan 0.000 0.467 331 G N 1.104 109.922 108.800 0.029 0.000 2.176 331 G HA2 -0.208 3.753 3.960 0.000 0.000 0.252 331 G HA3 -0.208 3.753 3.960 0.000 0.000 0.252 331 G C 0.615 175.537 174.900 0.037 0.000 1.024 331 G CA 0.149 45.267 45.100 0.030 0.000 0.755 331 G HN 0.838 nan 8.290 nan 0.000 0.507 332 G N -0.996 107.834 108.800 0.050 0.000 2.535 332 G HA2 0.557 4.517 3.960 0.000 0.000 0.282 332 G HA3 0.557 4.517 3.960 0.000 0.000 0.282 332 G C 0.471 175.427 174.900 0.094 0.000 1.350 332 G CA 0.352 45.489 45.100 0.061 0.000 1.039 332 G HN 0.714 nan 8.290 nan 0.000 0.509 333 T N 2.988 117.619 114.554 0.127 0.000 2.831 333 T HA 0.253 4.603 4.350 0.000 0.000 0.291 333 T C -1.985 172.871 174.700 0.260 0.000 0.981 333 T CA -0.332 61.895 62.100 0.211 0.000 1.174 333 T CB 0.887 69.932 68.868 0.295 0.000 0.929 333 T HN 0.309 nan 8.240 nan 0.000 0.532 334 P HA 0.177 nan 4.420 nan 0.000 0.272 334 P C -0.672 176.696 177.300 0.114 0.000 1.223 334 P CA -0.410 62.730 63.100 0.066 0.000 0.784 334 P CB 0.540 32.184 31.700 -0.095 0.000 0.923 335 V N 3.735 123.683 119.914 0.058 0.000 2.318 335 V HA 0.159 4.280 4.120 0.000 0.000 0.271 335 V C 0.461 176.529 176.094 -0.044 0.000 1.030 335 V CA -0.406 61.965 62.300 0.119 0.000 0.844 335 V CB -0.699 31.180 31.823 0.092 0.000 1.015 335 V HN 0.520 nan 8.190 nan 0.000 0.460 336 H N 2.918 122.053 119.070 0.107 0.000 2.615 336 H HA 0.454 5.011 4.556 0.000 0.000 0.363 336 H C 0.369 175.737 175.328 0.065 0.000 1.148 336 H CA -0.180 55.904 56.048 0.060 0.000 1.401 336 H CB 0.765 30.541 29.762 0.025 0.000 1.461 336 H HN 0.795 nan 8.280 nan 0.000 0.588 337 E N 2.262 122.546 120.200 0.140 0.000 2.238 337 E HA 0.528 4.879 4.350 0.000 0.000 0.267 337 E C -1.338 175.299 176.600 0.062 0.000 0.887 337 E CA -0.888 55.555 56.400 0.071 0.000 0.769 337 E CB 1.915 31.616 29.700 0.003 0.000 1.187 337 E HN 0.347 nan 8.360 nan 0.000 0.416 338 L N 2.625 123.858 121.223 0.016 0.000 2.349 338 L HA 0.355 4.695 4.340 0.000 0.000 0.278 338 L C -0.225 176.582 176.870 -0.104 0.000 0.996 338 L CA -1.115 53.717 54.840 -0.013 0.000 0.825 338 L CB 1.686 43.789 42.059 0.073 0.000 1.243 338 L HN 0.642 nan 8.230 nan 0.000 0.412 339 N N 3.834 122.498 118.700 -0.059 0.000 2.452 339 N HA 0.110 4.850 4.740 0.000 0.000 0.266 339 N C 0.704 176.197 175.510 -0.028 0.000 1.175 339 N CA 0.030 53.047 53.050 -0.056 0.000 0.945 339 N CB 1.286 39.765 38.487 -0.013 0.000 1.063 339 N HN 0.652 nan 8.380 nan 0.000 0.472 340 L N 3.321 124.530 121.223 -0.024 0.000 2.240 340 L HA -0.112 4.228 4.340 0.000 0.000 0.211 340 L C 2.141 179.046 176.870 0.057 0.000 1.106 340 L CA 0.415 55.280 54.840 0.042 0.000 0.793 340 L CB -0.272 41.834 42.059 0.079 0.000 0.927 340 L HN 0.509 nan 8.230 nan 0.000 0.446 341 L N -0.057 121.208 121.223 0.071 0.000 1.994 341 L HA -0.168 4.172 4.340 0.000 0.000 0.208 341 L C 2.455 179.328 176.870 0.005 0.000 1.071 341 L CA 2.087 56.960 54.840 0.054 0.000 0.745 341 L CB -0.740 41.365 42.059 0.076 0.000 0.892 341 L HN 0.087 nan 8.230 nan 0.000 0.431 342 T N -0.981 113.576 114.554 0.005 0.000 2.778 342 T HA -0.190 4.160 4.350 0.000 0.000 0.269 342 T C 1.679 176.347 174.700 -0.054 0.000 1.050 342 T CA 1.937 64.026 62.100 -0.019 0.000 1.137 342 T CB -0.597 68.266 68.868 -0.009 0.000 0.860 342 T HN 0.492 nan 8.240 nan 0.000 0.468 343 T N 1.600 116.119 114.554 -0.059 0.000 2.851 343 T HA 0.145 4.495 4.350 0.000 0.000 0.262 343 T C 2.478 177.056 174.700 -0.205 0.000 1.043 343 T CA 0.875 62.908 62.100 -0.111 0.000 1.140 343 T CB -0.478 68.355 68.868 -0.059 0.000 0.872 343 T HN 0.432 nan 8.240 nan 0.000 0.446 344 A N 1.711 124.424 122.820 -0.178 0.000 1.883 344 A HA -0.211 4.109 4.320 0.000 0.000 0.217 344 A C 2.290 179.747 177.584 -0.212 0.000 1.186 344 A CA 1.708 53.620 52.037 -0.210 0.000 0.624 344 A CB -0.736 18.212 19.000 -0.088 0.000 0.822 344 A HN 0.538 nan 8.150 nan 0.000 0.444 345 Q N -0.857 118.863 119.800 -0.134 0.000 2.020 345 Q HA -0.183 4.157 4.340 0.000 0.000 0.202 345 Q C 2.099 178.010 176.000 -0.148 0.000 0.982 345 Q CA 1.428 57.163 55.803 -0.115 0.000 0.838 345 Q CB -0.216 28.483 28.738 -0.065 0.000 0.899 345 Q HN 0.570 nan 8.270 nan 0.000 0.423 346 E N 0.240 120.352 120.200 -0.146 0.000 2.118 346 E HA -0.212 4.138 4.350 0.000 0.000 0.195 346 E C 2.113 178.573 176.600 -0.233 0.000 0.992 346 E CA 0.912 57.220 56.400 -0.153 0.000 0.804 346 E CB -0.551 29.075 29.700 -0.124 0.000 0.741 346 E HN 0.386 nan 8.360 nan 0.000 0.458 347 C N 0.439 119.532 119.300 -0.344 0.000 2.429 347 C HA -0.078 4.382 4.460 0.000 0.000 0.277 347 C C 2.744 177.261 174.990 -0.788 0.000 1.262 347 C CA 0.283 58.965 59.018 -0.560 0.000 1.733 347 C CB -1.120 26.228 27.740 -0.654 0.000 2.010 347 C HN 0.337 nan 8.230 nan 0.000 0.483 348 I N 0.616 120.839 120.570 -0.579 0.000 2.179 348 I HA -0.190 3.981 4.170 0.000 0.000 0.242 348 I C 2.896 178.937 176.117 -0.126 0.000 1.088 348 I CA 1.965 63.055 61.300 -0.350 0.000 1.357 348 I CB -0.632 37.261 38.000 -0.177 0.000 1.051 348 I HN 0.365 nan 8.210 nan 0.000 0.409 349 R N 0.518 120.947 120.500 -0.119 0.000 2.091 349 R HA -0.220 4.120 4.340 0.000 0.000 0.238 349 R C 2.354 178.642 176.300 -0.020 0.000 1.136 349 R CA 1.440 57.510 56.100 -0.050 0.000 0.959 349 R CB -0.087 30.178 30.300 -0.058 0.000 0.856 349 R HN 0.345 nan 8.270 nan 0.000 0.437 350 Q N -0.359 119.402 119.800 -0.065 0.000 2.096 350 Q HA -0.204 4.137 4.340 0.000 0.000 0.204 350 Q C 1.835 177.932 176.000 0.162 0.000 0.982 350 Q CA 1.379 57.184 55.803 0.004 0.000 0.850 350 Q CB -0.305 28.402 28.738 -0.051 0.000 0.901 350 Q HN 0.493 nan 8.270 nan 0.000 0.422 351 W N 0.030 121.326 121.300 -0.007 0.000 2.402 351 W HA -0.054 4.606 4.660 0.000 0.000 0.286 351 W C 2.213 178.724 176.519 -0.014 0.000 1.221 351 W CA 0.152 57.494 57.345 -0.005 0.000 1.257 351 W CB -0.942 28.522 29.460 0.007 0.000 1.120 351 W HN -0.073 nan 8.180 nan 0.000 0.551 352 V N 0.370 120.410 119.914 0.209 0.000 2.283 352 V HA -0.299 3.821 4.120 0.000 0.000 0.243 352 V C 2.268 178.404 176.094 0.070 0.000 1.039 352 V CA 1.786 64.152 62.300 0.110 0.000 1.016 352 V CB -0.796 31.070 31.823 0.072 0.000 0.650 352 V HN 0.018 nan 8.190 nan 0.000 0.449 353 M N -0.035 119.600 119.600 0.059 0.000 2.267 353 M HA -0.163 4.317 4.480 0.000 0.000 0.263 353 M C 1.969 178.288 176.300 0.033 0.000 1.063 353 M CA 1.965 57.286 55.300 0.035 0.000 1.090 353 M CB -0.408 32.207 32.600 0.024 0.000 1.392 353 M HN 0.395 nan 8.290 nan 0.000 0.422 354 A N -0.600 122.253 122.820 0.054 0.000 2.251 354 A HA 0.381 4.702 4.320 0.000 0.000 0.209 354 A C 1.611 179.197 177.584 0.004 0.000 1.187 354 A CA 0.675 52.729 52.037 0.029 0.000 0.823 354 A CB -0.636 18.394 19.000 0.050 0.000 0.846 354 A HN 0.615 nan 8.150 nan 0.000 0.486 355 G N -0.761 108.049 108.800 0.016 0.000 2.160 355 G HA2 -0.263 3.698 3.960 0.000 0.000 0.251 355 G HA3 -0.263 3.698 3.960 0.000 0.000 0.251 355 G C 0.684 175.570 174.900 -0.023 0.000 1.008 355 G CA 0.573 45.671 45.100 -0.003 0.000 0.724 355 G HN 0.450 nan 8.290 nan 0.000 0.514 356 L N -0.845 120.365 121.223 -0.021 0.000 2.341 356 L HA 0.284 4.624 4.340 0.000 0.000 0.214 356 L C 1.320 178.145 176.870 -0.074 0.000 1.115 356 L CA 1.226 56.012 54.840 -0.090 0.000 0.820 356 L CB 0.086 42.036 42.059 -0.182 0.000 0.944 356 L HN 0.496 nan 8.230 nan 0.000 0.452 357 V N -4.701 115.215 119.914 0.003 0.000 2.971 357 V HA 0.526 4.646 4.120 0.000 0.000 0.309 357 V C -0.049 176.064 176.094 0.031 0.000 1.130 357 V CA -1.041 61.272 62.300 0.020 0.000 0.964 357 V CB 1.530 33.401 31.823 0.080 0.000 1.029 357 V HN 0.103 nan 8.190 nan 0.000 0.427 358 S N 2.500 118.211 115.700 0.018 0.000 2.579 358 S HA 0.535 5.006 4.470 0.000 0.000 0.275 358 S C 1.537 176.153 174.600 0.027 0.000 1.345 358 S CA 0.135 58.345 58.200 0.016 0.000 1.031 358 S CB 1.265 64.469 63.200 0.007 0.000 0.892 358 S HN 2.232 nan 8.310 nan 0.000 0.529 359 A N 2.101 124.934 122.820 0.021 0.000 2.093 359 A HA 0.003 4.323 4.320 0.000 0.000 0.222 359 A C 2.209 179.805 177.584 0.021 0.000 1.162 359 A CA 2.013 54.063 52.037 0.021 0.000 0.655 359 A CB -1.428 17.580 19.000 0.013 0.000 0.805 359 A HN 1.337 nan 8.150 nan 0.000 0.461 360 A N -0.783 122.048 122.820 0.018 0.000 1.924 360 A HA 0.098 4.418 4.320 0.000 0.000 0.211 360 A C 2.024 179.622 177.584 0.022 0.000 1.198 360 A CA 1.405 53.452 52.037 0.016 0.000 0.657 360 A CB -0.280 18.726 19.000 0.011 0.000 0.852 360 A HN 0.499 nan 8.150 nan 0.000 0.454 361 K N -0.111 120.305 120.400 0.027 0.000 2.026 361 K HA -0.101 4.220 4.320 0.000 0.000 0.208 361 K C 1.989 178.622 176.600 0.055 0.000 1.048 361 K CA 1.544 57.852 56.287 0.036 0.000 0.929 361 K CB -0.609 31.912 32.500 0.034 0.000 0.713 361 K HN 0.334 nan 8.250 nan 0.000 0.439 362 G N 0.877 109.716 108.800 0.066 0.000 2.505 362 G HA2 -0.304 3.657 3.960 0.000 0.000 0.220 362 G HA3 -0.304 3.657 3.960 0.000 0.000 0.220 362 G C 1.424 176.349 174.900 0.042 0.000 1.145 362 G CA 0.682 45.825 45.100 0.071 0.000 0.761 362 G HN 0.322 nan 8.290 nan 0.000 0.571 363 Q N 0.358 120.176 119.800 0.030 0.000 2.050 363 Q HA -0.067 4.273 4.340 0.000 0.000 0.202 363 Q C 3.093 179.106 176.000 0.021 0.000 0.980 363 Q CA 1.530 57.345 55.803 0.020 0.000 0.840 363 Q CB -0.745 28.002 28.738 0.015 0.000 0.898 363 Q HN 0.452 nan 8.270 nan 0.000 0.424 364 A N 1.012 123.847 122.820 0.025 0.000 1.883 364 A HA -0.178 4.142 4.320 0.000 0.000 0.217 364 A C 2.301 179.903 177.584 0.030 0.000 1.186 364 A CA 1.357 53.409 52.037 0.025 0.000 0.624 364 A CB -0.892 18.122 19.000 0.024 0.000 0.822 364 A HN 0.322 nan 8.150 nan 0.000 0.444 365 L N -0.763 120.485 121.223 0.042 0.000 2.042 365 L HA -0.191 4.149 4.340 0.000 0.000 0.210 365 L C 2.811 179.697 176.870 0.027 0.000 1.076 365 L CA 1.873 56.742 54.840 0.048 0.000 0.749 365 L CB -0.925 41.189 42.059 0.092 0.000 0.893 365 L HN 0.370 nan 8.230 nan 0.000 0.432 366 T N -1.560 113.004 114.554 0.017 0.000 2.788 366 T HA -0.252 4.098 4.350 0.000 0.000 0.268 366 T C 1.848 176.556 174.700 0.012 0.000 1.044 366 T CA 1.278 63.380 62.100 0.003 0.000 1.139 366 T CB -0.110 68.755 68.868 -0.004 0.000 0.867 366 T HN 0.191 nan 8.240 nan 0.000 0.454 367 Q N 1.062 120.872 119.800 0.018 0.000 2.049 367 Q HA -0.028 4.313 4.340 0.000 0.000 0.198 367 Q C 2.162 178.182 176.000 0.034 0.000 0.971 367 Q CA 1.466 57.281 55.803 0.020 0.000 0.833 367 Q CB -0.183 28.565 28.738 0.017 0.000 0.896 367 Q HN 0.578 nan 8.270 nan 0.000 0.434 368 E N -0.388 119.835 120.200 0.039 0.000 2.086 368 E HA -0.266 4.084 4.350 0.000 0.000 0.200 368 E C 1.811 178.467 176.600 0.092 0.000 1.012 368 E CA 1.301 57.735 56.400 0.056 0.000 0.812 368 E CB -0.280 29.442 29.700 0.036 0.000 0.743 368 E HN 0.465 nan 8.360 nan 0.000 0.453 369 A N 1.265 124.128 122.820 0.072 0.000 1.933 369 A HA -0.213 4.108 4.320 0.000 0.000 0.218 369 A C 1.811 179.458 177.584 0.106 0.000 1.175 369 A CA 1.608 53.706 52.037 0.101 0.000 0.628 369 A CB -0.414 18.612 19.000 0.043 0.000 0.814 369 A HN 0.139 nan 8.150 nan 0.000 0.444 370 N N 0.603 119.337 118.700 0.057 0.000 2.171 370 N HA -0.095 4.646 4.740 0.000 0.000 0.184 370 N C 1.123 176.645 175.510 0.020 0.000 1.021 370 N CA 1.475 54.540 53.050 0.025 0.000 0.854 370 N CB -0.401 38.089 38.487 0.006 0.000 0.994 370 N HN 0.440 nan 8.380 nan 0.000 0.426 371 D N 0.031 120.461 120.400 0.050 0.000 2.097 371 D HA -0.123 4.518 4.640 0.000 0.000 0.195 371 D C 1.691 178.038 176.300 0.079 0.000 0.989 371 D CA 0.579 54.609 54.000 0.050 0.000 0.827 371 D CB -0.474 40.366 40.800 0.067 0.000 0.966 371 D HN 0.180 nan 8.370 nan 0.000 0.456 372 F N 1.345 121.292 119.950 -0.006 0.000 2.134 372 F HA -0.135 4.392 4.527 0.000 0.000 0.299 372 F C 2.487 178.283 175.800 -0.005 0.000 1.097 372 F CA 1.071 59.075 58.000 0.007 0.000 1.264 372 F CB -0.277 38.740 39.000 0.028 0.000 1.001 372 F HN -0.183 nan 8.300 nan 0.000 0.479 373 S N -0.179 115.465 115.700 -0.093 0.000 2.423 373 S HA -0.176 4.294 4.470 0.000 0.000 0.231 373 S C 1.839 176.255 174.600 -0.307 0.000 1.014 373 S CA 1.277 59.353 58.200 -0.207 0.000 0.965 373 S CB -0.516 62.651 63.200 -0.055 0.000 0.785 373 S HN 0.481 nan 8.310 nan 0.000 0.495 374 N N 0.885 119.451 118.700 -0.224 0.000 2.244 374 N HA 0.080 4.820 4.740 0.000 0.000 0.183 374 N C 1.516 176.881 175.510 -0.243 0.000 1.016 374 N CA 0.852 53.764 53.050 -0.230 0.000 0.866 374 N CB -0.184 38.220 38.487 -0.139 0.000 0.980 374 N HN 0.343 nan 8.380 nan 0.000 0.430 375 L N -0.079 120.997 121.223 -0.245 0.000 2.027 375 L HA -0.093 4.247 4.340 0.000 0.000 0.206 375 L C 1.792 178.499 176.870 -0.271 0.000 1.074 375 L CA 0.641 55.346 54.840 -0.226 0.000 0.745 375 L CB -0.324 41.615 42.059 -0.200 0.000 0.898 375 L HN 0.201 nan 8.230 nan 0.000 0.433 376 I N -0.276 120.036 120.570 -0.429 0.000 2.315 376 I HA -0.290 3.880 4.170 0.000 0.000 0.248 376 I C 2.516 178.489 176.117 -0.240 0.000 1.117 376 I CA 1.421 62.523 61.300 -0.330 0.000 1.404 376 I CB -1.102 36.652 38.000 -0.409 0.000 1.071 376 I HN 0.467 nan 8.210 nan 0.000 0.419 377 Q N 0.769 120.304 119.800 -0.442 0.000 2.119 377 Q HA -0.144 4.196 4.340 0.000 0.000 0.201 377 Q C 2.283 178.095 176.000 -0.313 0.000 0.972 377 Q CA 1.852 57.239 55.803 -0.694 0.000 0.847 377 Q CB 0.120 28.126 28.738 -1.219 0.000 0.903 377 Q HN 0.486 nan 8.270 nan 0.000 0.433 378 A N 0.618 123.302 122.820 -0.227 0.000 1.874 378 A HA -0.173 4.147 4.320 0.000 0.000 0.214 378 A C 1.890 179.457 177.584 -0.029 0.000 1.189 378 A CA 1.405 53.375 52.037 -0.112 0.000 0.615 378 A CB -0.643 18.294 19.000 -0.106 0.000 0.830 378 A HN 0.474 nan 8.150 nan 0.000 0.443 379 D N 0.233 120.620 120.400 -0.022 0.000 2.092 379 D HA -0.135 4.505 4.640 0.000 0.000 0.193 379 D C 1.879 178.247 176.300 0.112 0.000 0.994 379 D CA 1.331 55.367 54.000 0.061 0.000 0.828 379 D CB -0.128 40.734 40.800 0.103 0.000 0.963 379 D HN 0.412 nan 8.370 nan 0.000 0.450 380 L N -0.114 121.162 121.223 0.089 0.000 2.217 380 L HA 0.015 4.356 4.340 0.000 0.000 0.211 380 L C 2.526 179.604 176.870 0.347 0.000 1.107 380 L CA 0.895 55.831 54.840 0.159 0.000 0.783 380 L CB -0.299 41.783 42.059 0.038 0.000 0.919 380 L HN 0.073 nan 8.230 nan 0.000 0.442 381 G N -1.338 107.621 108.800 0.265 0.000 2.464 381 G HA2 -0.203 3.757 3.960 0.000 0.000 0.217 381 G HA3 -0.203 3.757 3.960 0.000 0.000 0.217 381 G C 1.496 176.466 174.900 0.117 0.000 1.138 381 G CA 0.019 45.264 45.100 0.241 0.000 0.793 381 G HN 0.279 nan 8.290 nan 0.000 0.539 382 Q N -0.298 119.557 119.800 0.093 0.000 2.096 382 Q HA 0.073 4.413 4.340 0.000 0.000 0.197 382 Q C 2.576 178.618 176.000 0.070 0.000 0.964 382 Q CA 0.404 56.244 55.803 0.061 0.000 0.838 382 Q CB -0.067 28.700 28.738 0.048 0.000 0.906 382 Q HN 0.520 nan 8.270 nan 0.000 0.444 383 I N 1.128 121.764 120.570 0.110 0.000 2.163 383 I HA -0.343 3.827 4.170 0.000 0.000 0.243 383 I C 2.569 178.726 176.117 0.067 0.000 1.085 383 I CA 1.549 62.919 61.300 0.117 0.000 1.347 383 I CB -0.272 37.830 38.000 0.170 0.000 1.044 383 I HN 0.169 nan 8.210 nan 0.000 0.408 384 K N 1.381 121.801 120.400 0.033 0.000 2.057 384 K HA -0.190 4.131 4.320 0.000 0.000 0.207 384 K C 2.167 178.701 176.600 -0.109 0.000 1.049 384 K CA 1.600 57.798 56.287 -0.149 0.000 0.931 384 K CB -0.176 32.033 32.500 -0.484 0.000 0.714 384 K HN 0.279 nan 8.250 nan 0.000 0.440 385 A N 0.973 123.763 122.820 -0.050 0.000 1.902 385 A HA -0.192 4.128 4.320 0.000 0.000 0.217 385 A C 2.077 179.642 177.584 -0.032 0.000 1.181 385 A CA 1.523 53.536 52.037 -0.039 0.000 0.623 385 A CB -0.537 18.453 19.000 -0.017 0.000 0.818 385 A HN 0.508 nan 8.150 nan 0.000 0.443 386 Q N -0.475 119.318 119.800 -0.012 0.000 1.967 386 Q HA -0.199 4.142 4.340 0.000 0.000 0.202 386 Q C 1.754 177.731 176.000 -0.039 0.000 0.985 386 Q CA 1.585 57.376 55.803 -0.019 0.000 0.839 386 Q CB -0.310 28.442 28.738 0.025 0.000 0.906 386 Q HN 0.562 nan 8.270 nan 0.000 0.423 387 D N 0.633 121.065 120.400 0.053 0.000 2.149 387 D HA -0.172 4.468 4.640 0.000 0.000 0.194 387 D C 1.470 177.824 176.300 0.090 0.000 1.001 387 D CA 1.319 55.417 54.000 0.165 0.000 0.849 387 D CB -0.299 40.599 40.800 0.164 0.000 0.939 387 D HN 0.188 nan 8.370 nan 0.000 0.449 388 D N -0.261 120.145 120.400 0.010 0.000 2.097 388 D HA -0.075 4.565 4.640 0.000 0.000 0.195 388 D C 1.980 178.300 176.300 0.032 0.000 0.989 388 D CA 1.454 55.466 54.000 0.019 0.000 0.827 388 D CB -0.351 40.425 40.800 -0.039 0.000 0.966 388 D HN 0.183 nan 8.370 nan 0.000 0.456 389 A N 0.494 123.291 122.820 -0.039 0.000 1.854 389 A HA -0.063 4.257 4.320 0.000 0.000 0.214 389 A C 2.400 179.904 177.584 -0.133 0.000 1.192 389 A CA 0.768 52.765 52.037 -0.067 0.000 0.611 389 A CB -0.853 18.101 19.000 -0.077 0.000 0.832 389 A HN 0.183 nan 8.150 nan 0.000 0.442 390 L N -1.888 119.162 121.223 -0.288 0.000 2.042 390 L HA -0.234 4.106 4.340 0.000 0.000 0.210 390 L C 2.599 179.229 176.870 -0.400 0.000 1.076 390 L CA 1.974 56.468 54.840 -0.576 0.000 0.749 390 L CB -0.642 40.617 42.059 -1.333 0.000 0.893 390 L HN 0.641 nan 8.230 nan 0.000 0.432 391 Y N 1.113 121.268 120.300 -0.242 0.000 2.165 391 Y HA -0.304 4.246 4.550 0.000 0.000 0.286 391 Y C 2.312 178.221 175.900 0.014 0.000 1.155 391 Y CA 2.112 60.251 58.100 0.065 0.000 1.164 391 Y CB -0.075 38.475 38.460 0.150 0.000 0.978 391 Y HN 0.220 nan 8.280 nan 0.000 0.513 392 N N -0.334 118.343 118.700 -0.039 0.000 2.171 392 N HA -0.109 4.631 4.740 0.000 0.000 0.184 392 N C 1.575 177.009 175.510 -0.127 0.000 1.021 392 N CA 1.729 54.719 53.050 -0.101 0.000 0.854 392 N CB -0.171 38.321 38.487 0.009 0.000 0.994 392 N HN 0.472 nan 8.380 nan 0.000 0.426 393 Q N -0.507 119.227 119.800 -0.110 0.000 2.259 393 Q HA 0.146 4.486 4.340 0.000 0.000 0.201 393 Q C 0.314 176.256 176.000 -0.097 0.000 0.938 393 Q CA 0.432 56.178 55.803 -0.095 0.000 0.872 393 Q CB 0.430 29.119 28.738 -0.082 0.000 0.971 393 Q HN 0.279 nan 8.270 nan 0.000 0.494 394 Q N 1.753 121.485 119.800 -0.114 0.000 2.303 394 Q HA 0.248 4.588 4.340 0.000 0.000 0.257 394 Q C -2.440 173.539 176.000 -0.034 0.000 0.941 394 Q CA -2.315 53.449 55.803 -0.066 0.000 0.931 394 Q CB 1.038 29.736 28.738 -0.066 0.000 1.215 394 Q HN -0.010 nan 8.270 nan 0.000 0.437 395 P HA 0.172 nan 4.420 nan 0.000 0.276 395 P C 0.202 177.522 177.300 0.033 0.000 1.244 395 P CA 0.290 63.372 63.100 -0.030 0.000 0.801 395 P CB 0.774 32.452 31.700 -0.036 0.000 1.006 396 G N -0.292 108.530 108.800 0.037 0.000 2.180 396 G HA2 -0.310 3.650 3.960 0.000 0.000 0.263 396 G HA3 -0.310 3.650 3.960 0.000 0.000 0.263 396 G C -0.104 174.840 174.900 0.073 0.000 0.989 396 G CA 0.092 45.229 45.100 0.063 0.000 0.692 396 G HN 0.602 nan 8.290 nan 0.000 0.526 397 Y N 1.369 121.670 120.300 0.002 0.000 2.442 397 Y HA 0.480 5.030 4.550 0.000 0.000 0.330 397 Y C 0.543 176.485 175.900 0.070 0.000 1.129 397 Y CA -0.372 57.749 58.100 0.035 0.000 1.365 397 Y CB 0.655 39.147 38.460 0.053 0.000 1.233 397 Y HN 0.571 nan 8.280 nan 0.000 0.529 398 A N 7.919 130.293 122.820 -0.743 0.000 2.260 398 A HA 0.495 4.815 4.320 0.000 0.000 0.308 398 A C -0.122 177.057 177.584 -0.675 0.000 1.254 398 A CA -0.846 50.869 52.037 -0.537 0.000 0.874 398 A CB 0.235 18.996 19.000 -0.399 0.000 1.153 398 A HN 0.926 nan 8.150 nan 0.000 0.527 399 R N 1.262 121.646 120.500 -0.194 0.000 2.643 399 R HA 0.198 4.539 4.340 0.000 0.000 0.270 399 R C 0.652 176.970 176.300 0.031 0.000 1.061 399 R CA 0.035 56.143 56.100 0.014 0.000 1.107 399 R CB 0.719 31.105 30.300 0.143 0.000 0.999 399 R HN 0.803 nan 8.270 nan 0.000 0.460 400 R N 1.205 121.745 120.500 0.066 0.000 2.225 400 R HA 0.201 4.542 4.340 0.000 0.000 0.194 400 R C 0.675 177.047 176.300 0.121 0.000 0.957 400 R CA 0.534 56.681 56.100 0.077 0.000 1.042 400 R CB 0.268 30.614 30.300 0.078 0.000 1.004 400 R HN 0.563 nan 8.270 nan 0.000 0.509 401 I N -2.746 117.859 120.570 0.058 0.000 3.042 401 I HA 0.405 4.575 4.170 0.000 0.000 0.310 401 I C -0.843 175.002 176.117 -0.454 0.000 1.117 401 I CA -1.406 59.858 61.300 -0.060 0.000 1.003 401 I CB 1.901 39.855 38.000 -0.077 0.000 1.228 401 I HN -0.270 nan 8.210 nan 0.000 0.443 402 K N 2.797 122.763 120.400 -0.724 0.000 2.524 402 K HA 0.218 4.539 4.320 0.000 0.000 0.279 402 K C -2.280 174.078 176.600 -0.403 0.000 0.993 402 K CA -0.869 54.770 56.287 -1.079 0.000 1.030 402 K CB 0.236 32.559 32.500 -0.295 0.000 0.891 402 K HN 0.389 nan 8.250 nan 0.000 0.488 403 P HA 0.006 nan 4.420 nan 0.000 0.267 403 P C -1.034 176.243 177.300 -0.038 0.000 1.200 403 P CA 0.216 63.193 63.100 -0.205 0.000 0.772 403 P CB 0.221 31.813 31.700 -0.181 0.000 0.855 404 F N 0.478 120.359 119.950 -0.114 0.000 2.664 404 F HA 0.738 5.265 4.527 0.000 0.000 0.317 404 F C -1.052 174.699 175.800 -0.081 0.000 1.108 404 F CA -1.622 56.313 58.000 -0.108 0.000 0.957 404 F CB 0.798 39.703 39.000 -0.158 0.000 1.365 404 F HN 0.190 nan 8.300 nan 0.000 0.475 405 V N -0.187 119.813 119.914 0.144 0.000 2.667 405 V HA 0.466 4.586 4.120 0.000 0.000 0.308 405 V C 0.288 176.509 176.094 0.213 0.000 1.048 405 V CA -0.802 61.545 62.300 0.078 0.000 0.928 405 V CB 1.445 33.289 31.823 0.035 0.000 1.004 405 V HN 0.898 nan 8.190 nan 0.000 0.444 406 N N 3.308 122.137 118.700 0.215 0.000 2.272 406 N HA -0.097 4.643 4.740 0.000 0.000 0.185 406 N C 1.786 177.472 175.510 0.293 0.000 1.014 406 N CA 1.731 55.000 53.050 0.366 0.000 0.870 406 N CB -0.241 38.421 38.487 0.292 0.000 0.975 406 N HN 1.008 nan 8.380 nan 0.000 0.433 407 G N 0.436 109.325 108.800 0.147 0.000 2.559 407 G HA2 -0.179 3.781 3.960 0.000 0.000 0.216 407 G HA3 -0.179 3.781 3.960 0.000 0.000 0.216 407 G C 0.979 175.903 174.900 0.040 0.000 1.126 407 G CA 0.313 45.472 45.100 0.098 0.000 0.778 407 G HN 0.194 nan 8.290 nan 0.000 0.543 408 D N -0.240 120.130 120.400 -0.050 0.000 2.348 408 D HA -0.035 4.606 4.640 0.000 0.000 0.216 408 D C 1.588 177.713 176.300 -0.293 0.000 0.970 408 D CA 0.329 54.202 54.000 -0.213 0.000 0.889 408 D CB -0.155 40.442 40.800 -0.339 0.000 0.912 408 D HN 0.652 nan 8.370 nan 0.000 0.524 409 W N 1.143 122.431 121.300 -0.020 0.000 2.770 409 W HA 0.010 4.670 4.660 0.000 0.000 0.256 409 W C 1.172 177.673 176.519 -0.031 0.000 1.291 409 W CA 0.183 57.502 57.345 -0.043 0.000 1.396 409 W CB -0.294 29.145 29.460 -0.035 0.000 1.114 409 W HN -0.163 nan 8.180 nan 0.000 0.637 410 T N -1.937 112.716 114.554 0.166 0.000 2.860 410 T HA 0.095 4.445 4.350 0.000 0.000 0.299 410 T C -1.628 173.105 174.700 0.055 0.000 1.045 410 T CA -1.321 60.837 62.100 0.097 0.000 1.071 410 T CB 1.376 70.284 68.868 0.066 0.000 0.985 410 T HN -0.249 nan 8.240 nan 0.000 0.537 411 P HA 0.097 nan 4.420 nan 0.000 0.223 411 P C 1.397 178.702 177.300 0.008 0.000 1.151 411 P CA 1.449 64.561 63.100 0.021 0.000 0.787 411 P CB -0.568 31.143 31.700 0.018 0.000 0.788 412 G N 0.476 109.282 108.800 0.009 0.000 2.660 412 G HA2 -0.349 3.611 3.960 0.000 0.000 0.321 412 G HA3 -0.349 3.611 3.960 0.000 0.000 0.321 412 G C 0.536 175.442 174.900 0.010 0.000 1.246 412 G CA 0.791 45.894 45.100 0.005 0.000 1.000 412 G HN 0.250 nan 8.290 nan 0.000 0.550 413 M N 1.447 121.055 119.600 0.013 0.000 2.771 413 M HA 0.204 4.684 4.480 0.000 0.000 0.341 413 M C 1.955 178.279 176.300 0.040 0.000 1.226 413 M CA 0.577 55.894 55.300 0.029 0.000 0.955 413 M CB 0.432 33.052 32.600 0.033 0.000 1.318 413 M HN 0.466 nan 8.290 nan 0.000 0.514 414 T N 1.596 116.163 114.554 0.022 0.000 2.665 414 T HA -0.218 4.132 4.350 0.000 0.000 0.268 414 T C 2.078 176.784 174.700 0.010 0.000 1.035 414 T CA 2.192 64.301 62.100 0.016 0.000 1.151 414 T CB -0.044 68.824 68.868 0.001 0.000 0.862 414 T HN 0.621 nan 8.240 nan 0.000 0.438 415 A N 1.237 124.061 122.820 0.006 0.000 1.892 415 A HA -0.254 4.066 4.320 0.000 0.000 0.218 415 A C 2.297 179.882 177.584 0.002 0.000 1.188 415 A CA 2.109 54.145 52.037 -0.003 0.000 0.631 415 A CB -0.867 18.134 19.000 0.000 0.000 0.822 415 A HN 0.487 nan 8.150 nan 0.000 0.447 416 Q N -0.331 119.487 119.800 0.030 0.000 2.077 416 Q HA -0.093 4.247 4.340 0.000 0.000 0.206 416 Q C 2.372 178.395 176.000 0.037 0.000 0.989 416 Q CA 2.121 57.958 55.803 0.058 0.000 0.853 416 Q CB -0.636 28.169 28.738 0.112 0.000 0.907 416 Q HN 0.678 nan 8.270 nan 0.000 0.418 417 A N 0.191 123.045 122.820 0.057 0.000 1.940 417 A HA -0.159 4.161 4.320 0.000 0.000 0.219 417 A C 2.051 179.547 177.584 -0.146 0.000 1.176 417 A CA 1.308 53.312 52.037 -0.055 0.000 0.631 417 A CB -0.707 18.322 19.000 0.048 0.000 0.814 417 A HN 0.354 nan 8.150 nan 0.000 0.446 418 L N -1.112 120.059 121.223 -0.087 0.000 2.156 418 L HA -0.119 4.221 4.340 0.000 0.000 0.208 418 L C 3.001 179.801 176.870 -0.115 0.000 1.095 418 L CA 0.810 55.585 54.840 -0.108 0.000 0.770 418 L CB -0.408 41.606 42.059 -0.076 0.000 0.914 418 L HN 0.445 nan 8.230 nan 0.000 0.439 419 A N -0.421 122.348 122.820 -0.086 0.000 1.897 419 A HA -0.095 4.225 4.320 0.000 0.000 0.215 419 A C 2.321 179.856 177.584 -0.083 0.000 1.181 419 A CA 1.200 53.197 52.037 -0.066 0.000 0.620 419 A CB -0.654 18.328 19.000 -0.029 0.000 0.821 419 A HN 0.134 nan 8.150 nan 0.000 0.443 420 V N 0.363 120.198 119.914 -0.131 0.000 2.287 420 V HA -0.277 3.844 4.120 0.000 0.000 0.248 420 V C 2.547 178.514 176.094 -0.211 0.000 1.053 420 V CA 2.061 64.269 62.300 -0.152 0.000 1.027 420 V CB -0.748 30.858 31.823 -0.361 0.000 0.646 420 V HN 0.573 nan 8.190 nan 0.000 0.447 421 L N -0.110 120.867 121.223 -0.409 0.000 2.201 421 L HA -0.121 4.219 4.340 0.000 0.000 0.212 421 L C 2.607 179.288 176.870 -0.314 0.000 1.105 421 L CA 1.234 55.698 54.840 -0.626 0.000 0.775 421 L CB -0.689 41.048 42.059 -0.536 0.000 0.913 421 L HN 0.386 nan 8.230 nan 0.000 0.440 422 A N -0.078 122.641 122.820 -0.169 0.000 2.067 422 A HA -0.177 4.144 4.320 0.000 0.000 0.219 422 A C 2.317 179.872 177.584 -0.049 0.000 1.158 422 A CA 1.876 53.856 52.037 -0.094 0.000 0.661 422 A CB -0.699 18.259 19.000 -0.071 0.000 0.801 422 A HN 0.506 nan 8.150 nan 0.000 0.452 423 T N -4.374 110.176 114.554 -0.006 0.000 3.113 423 T HA 0.061 4.412 4.350 0.000 0.000 0.256 423 T C 1.129 175.712 174.700 -0.195 0.000 1.131 423 T CA 0.384 62.478 62.100 -0.010 0.000 1.074 423 T CB -0.554 68.357 68.868 0.071 0.000 0.944 423 T HN 0.166 nan 8.240 nan 0.000 0.516 424 F N 3.208 122.871 119.950 -0.479 0.000 2.699 424 F HA 0.130 4.657 4.527 0.000 0.000 0.298 424 F C 2.387 177.872 175.800 -0.525 0.000 1.154 424 F CA 0.610 58.187 58.000 -0.704 0.000 1.457 424 F CB -0.632 38.173 39.000 -0.326 0.000 1.106 424 F HN 0.426 nan 8.300 nan 0.000 0.585 425 T N -3.232 111.219 114.554 -0.171 0.000 3.069 425 T HA 0.606 4.956 4.350 0.000 0.000 0.252 425 T C 0.748 175.415 174.700 -0.054 0.000 1.053 425 T CA 0.260 62.310 62.100 -0.083 0.000 0.964 425 T CB -0.185 68.657 68.868 -0.042 0.000 1.005 425 T HN 0.057 nan 8.240 nan 0.000 0.532 426 A N 0.000 122.775 122.820 -0.076 0.000 2.254 426 A HA 0.000 4.320 4.320 0.000 0.000 0.244 426 A CA 0.000 52.068 52.037 0.052 0.000 0.836 426 A CB 0.000 19.027 19.000 0.045 0.000 0.831 426 A HN 0.000 nan 8.150 nan 0.000 0.486