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 1us1_1_B DATA FIRST_RESID 57 DATA SEQUENCE SQLFADLSRE ELTAVMRFLT QRLGPGLVDA AQARPSDNCV FSVELQLPPK DATA SEQUENCE AAALAHLDRG SPPPAREALA IVFFGRQPQP NVSELVVGPL PHPSYMRDVT DATA SEQUENCE VERHGGPLPY HRRPVLFQEY LDIDQMIFNR ELPQASGLLH HCCFYKXRGR DATA SEQUENCE NLVTMTTAPR GLQSGDRATW FGLYYNISGA GFFLHHVGLE LLVNHKALDP DATA SEQUENCE ARWTIQKVFY QGRYYDSLAQ LEAQFEAGLV NVVLIPDNGT GGSWSLKSPV DATA SEQUENCE PPGPAPPLQF YPQGPRFSVQ GSRVASSLWT FSFGLGAFSG PRIFDVRFQG DATA SEQUENCE ERLVYEISLQ EALAIYGGNS PAAMTTRYVD GGFGMGKYTT PLTRGVDcPY DATA SEQUENCE LATYVDWHFL LESQAPKTIR DAFcVFEQNQ GLPLRRHHSD LYSHYFGGLA DATA SEQUENCE ETVLVVRSMS TLLNXDYVWD TVFHPSGAIE IRFYATGYIS SAFLFGATGK DATA SEQUENCE YGNQVSEHTL GTVHTHSAHF KVDLDVAGLE NWVWAEDMVF VPMAVPWSPE DATA SEQUENCE HQLQRLQVTR KLLEMEEQAA FLVGSATPRY LYLASNHSNK WGHPRGYRIQ DATA SEQUENCE MLSFAGEPLP QNSSMARGFS WERYQLAVTQ RKEEEPSSSS VFNQNDPWAP DATA SEQUENCE TVDFSDFINN ETIAGKDLVA WVTAGFLHIP HAEDIPNTVT VGNGVGFFLR DATA SEQUENCE PYNFFDEDPS FYSADSIYFR GDQDAGAcEV NPLAcXXXXX ACAPDLPAFS DATA SEQUENCE HGGFS 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 57 S HA 0.000 nan 4.470 nan 0.000 0.327 57 S C 0.000 174.561 174.600 -0.065 0.000 1.055 57 S CA 0.000 58.187 58.200 -0.022 0.000 1.107 57 S CB 0.000 63.169 63.200 -0.052 0.000 0.593 58 Q N 4.793 124.561 119.800 -0.053 0.000 3.122 58 Q HA 0.263 4.603 4.340 -0.000 0.000 0.360 58 Q C 1.198 177.097 176.000 -0.169 0.000 1.300 58 Q CA -0.209 55.550 55.803 -0.075 0.000 0.982 58 Q CB 0.151 28.860 28.738 -0.049 0.000 1.534 58 Q HN 0.727 nan 8.270 nan 0.000 0.474 59 L N -0.689 120.311 121.223 -0.372 0.000 2.191 59 L HA -0.122 4.218 4.340 -0.000 0.000 0.212 59 L C 0.938 177.415 176.870 -0.657 0.000 1.103 59 L CA 1.327 55.788 54.840 -0.631 0.000 0.769 59 L CB -0.092 41.247 42.059 -1.200 0.000 0.908 59 L HN 0.370 nan 8.230 nan 0.000 0.438 60 F N -0.374 119.485 119.950 -0.152 0.000 2.653 60 F HA 0.324 4.851 4.527 -0.000 0.000 0.304 60 F C 1.188 176.922 175.800 -0.110 0.000 1.092 60 F CA -0.721 57.147 58.000 -0.220 0.000 1.279 60 F CB -0.417 38.408 39.000 -0.292 0.000 1.044 60 F HN -0.168 nan 8.300 nan 0.000 0.564 61 A N 0.532 123.361 122.820 0.014 0.000 2.409 61 A HA 0.227 4.547 4.320 -0.000 0.000 0.267 61 A C 0.233 177.824 177.584 0.012 0.000 1.127 61 A CA -0.653 51.371 52.037 -0.021 0.000 0.795 61 A CB -0.064 18.899 19.000 -0.060 0.000 1.061 61 A HN 0.153 nan 8.150 nan 0.000 0.502 62 D N 1.529 121.962 120.400 0.053 0.000 2.474 62 D HA 0.036 4.676 4.640 -0.000 0.000 0.232 62 D C 0.375 176.688 176.300 0.022 0.000 1.177 62 D CA 0.583 54.643 54.000 0.099 0.000 0.876 62 D CB 0.410 41.355 40.800 0.242 0.000 1.208 62 D HN 0.448 nan 8.370 nan 0.000 0.464 63 L N 1.393 122.614 121.223 -0.003 0.000 2.490 63 L HA -0.006 4.334 4.340 -0.000 0.000 0.274 63 L C 1.558 178.412 176.870 -0.026 0.000 1.201 63 L CA -0.240 54.580 54.840 -0.033 0.000 0.869 63 L CB 0.279 42.304 42.059 -0.056 0.000 1.123 63 L HN 0.451 nan 8.230 nan 0.000 0.484 64 S N 3.591 119.279 115.700 -0.019 0.000 2.617 64 S HA 0.126 4.596 4.470 -0.000 0.000 0.255 64 S C 1.120 175.655 174.600 -0.109 0.000 1.318 64 S CA -0.371 57.828 58.200 -0.001 0.000 0.978 64 S CB 0.685 63.862 63.200 -0.039 0.000 0.961 64 S HN 0.633 nan 8.310 nan 0.000 0.582 65 R N 0.244 120.600 120.500 -0.240 0.000 2.115 65 R HA -0.007 4.332 4.340 -0.000 0.000 0.226 65 R C 2.173 178.352 176.300 -0.202 0.000 1.100 65 R CA 1.373 57.292 56.100 -0.301 0.000 0.980 65 R CB -0.438 29.605 30.300 -0.428 0.000 0.875 65 R HN 0.658 nan 8.270 nan 0.000 0.445 66 E N 1.139 121.240 120.200 -0.166 0.000 2.072 66 E HA -0.151 4.199 4.350 -0.000 0.000 0.191 66 E C 1.718 178.240 176.600 -0.130 0.000 0.985 66 E CA 1.195 57.514 56.400 -0.135 0.000 0.801 66 E CB -0.025 29.602 29.700 -0.122 0.000 0.750 66 E HN 0.363 nan 8.360 nan 0.000 0.452 67 E N 0.070 120.195 120.200 -0.125 0.000 2.204 67 E HA -0.110 4.240 4.350 -0.000 0.000 0.194 67 E C 2.000 178.531 176.600 -0.114 0.000 0.989 67 E CA 0.534 56.862 56.400 -0.120 0.000 0.824 67 E CB -0.036 29.602 29.700 -0.103 0.000 0.756 67 E HN 0.253 nan 8.360 nan 0.000 0.477 68 L N 0.606 121.755 121.223 -0.123 0.000 2.049 68 L HA -0.119 4.221 4.340 -0.000 0.000 0.203 68 L C 2.659 179.466 176.870 -0.105 0.000 1.074 68 L CA 1.431 56.198 54.840 -0.122 0.000 0.749 68 L CB -0.754 41.209 42.059 -0.160 0.000 0.907 68 L HN 0.141 nan 8.230 nan 0.000 0.439 69 T N -0.223 114.263 114.554 -0.113 0.000 2.699 69 T HA -0.259 4.091 4.350 -0.000 0.000 0.268 69 T C 1.984 176.652 174.700 -0.053 0.000 1.036 69 T CA 1.272 63.320 62.100 -0.085 0.000 1.147 69 T CB -0.567 68.249 68.868 -0.088 0.000 0.862 69 T HN 0.401 nan 8.240 nan 0.000 0.446 70 A N 1.139 123.919 122.820 -0.067 0.000 1.883 70 A HA -0.034 4.286 4.320 -0.000 0.000 0.217 70 A C 2.643 180.225 177.584 -0.004 0.000 1.186 70 A CA 1.667 53.677 52.037 -0.046 0.000 0.624 70 A CB -1.096 17.842 19.000 -0.102 0.000 0.822 70 A HN 0.393 nan 8.150 nan 0.000 0.444 71 V N -0.908 118.979 119.914 -0.044 0.000 2.548 71 V HA -0.203 3.917 4.120 -0.000 0.000 0.249 71 V C 2.493 178.612 176.094 0.043 0.000 1.055 71 V CA 2.079 64.357 62.300 -0.037 0.000 1.065 71 V CB -0.513 31.259 31.823 -0.085 0.000 0.681 71 V HN 0.616 nan 8.190 nan 0.000 0.462 72 M N 0.646 120.255 119.600 0.016 0.000 2.236 72 M HA -0.059 4.421 4.480 -0.000 0.000 0.266 72 M C 2.241 178.574 176.300 0.056 0.000 1.070 72 M CA 1.702 57.017 55.300 0.025 0.000 1.137 72 M CB -0.666 31.922 32.600 -0.019 0.000 1.378 72 M HN 0.367 nan 8.290 nan 0.000 0.426 73 R N -1.032 119.502 120.500 0.056 0.000 2.066 73 R HA -0.183 4.157 4.340 -0.000 0.000 0.232 73 R C 2.198 178.561 176.300 0.105 0.000 1.131 73 R CA 1.922 58.058 56.100 0.061 0.000 0.955 73 R CB -1.401 28.924 30.300 0.042 0.000 0.851 73 R HN 0.372 nan 8.270 nan 0.000 0.432 74 F N 1.494 121.440 119.950 -0.008 0.000 2.120 74 F HA -0.195 4.332 4.527 -0.000 0.000 0.300 74 F C 1.951 177.761 175.800 0.016 0.000 1.095 74 F CA 1.698 59.698 58.000 0.001 0.000 1.249 74 F CB -0.023 38.968 39.000 -0.016 0.000 0.995 74 F HN 0.008 nan 8.300 nan 0.000 0.480 75 L N -0.945 120.473 121.223 0.326 0.000 2.109 75 L HA -0.181 4.159 4.340 -0.000 0.000 0.207 75 L C 2.319 179.265 176.870 0.127 0.000 1.086 75 L CA 1.399 56.386 54.840 0.245 0.000 0.760 75 L CB -1.005 41.159 42.059 0.176 0.000 0.910 75 L HN 0.110 nan 8.230 nan 0.000 0.437 76 T N -0.084 114.521 114.554 0.084 0.000 2.580 76 T HA -0.305 4.045 4.350 -0.000 0.000 0.265 76 T C 1.739 176.454 174.700 0.026 0.000 1.063 76 T CA 1.987 64.117 62.100 0.051 0.000 1.170 76 T CB -0.383 68.505 68.868 0.034 0.000 0.863 76 T HN 0.518 nan 8.240 nan 0.000 0.418 77 Q N 0.831 120.622 119.800 -0.016 0.000 2.439 77 Q HA -0.060 4.280 4.340 -0.000 0.000 0.211 77 Q C 1.505 177.461 176.000 -0.073 0.000 0.978 77 Q CA 1.095 56.865 55.803 -0.055 0.000 0.897 77 Q CB -0.124 28.561 28.738 -0.089 0.000 0.956 77 Q HN 0.437 nan 8.270 nan 0.000 0.483 78 R N -0.193 120.275 120.500 -0.053 0.000 2.535 78 R HA 0.331 4.670 4.340 -0.000 0.000 0.323 78 R C 0.808 177.147 176.300 0.065 0.000 0.979 78 R CA -0.102 55.978 56.100 -0.034 0.000 1.120 78 R CB 0.716 30.947 30.300 -0.116 0.000 1.306 78 R HN 0.205 nan 8.270 nan 0.000 0.540 79 L N 0.710 121.993 121.223 0.099 0.000 2.818 79 L HA 0.298 4.638 4.340 -0.000 0.000 0.243 79 L C 0.179 177.144 176.870 0.158 0.000 1.185 79 L CA -0.245 54.701 54.840 0.178 0.000 0.988 79 L CB 0.798 42.990 42.059 0.222 0.000 1.292 79 L HN 0.303 nan 8.230 nan 0.000 0.519 80 G N 1.062 109.916 108.800 0.091 0.000 2.764 80 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.686 80 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.686 80 G C -2.752 172.192 174.900 0.073 0.000 1.258 80 G CA -1.199 43.943 45.100 0.070 0.000 0.846 80 G HN 0.038 nan 8.290 nan 0.000 0.596 81 P HA 0.458 nan 4.420 nan 0.000 0.271 81 P C 1.137 178.475 177.300 0.063 0.000 1.244 81 P CA 1.601 64.732 63.100 0.052 0.000 0.793 81 P CB 0.526 32.247 31.700 0.035 0.000 0.984 82 G N -0.475 108.362 108.800 0.063 0.000 2.131 82 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.223 82 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.223 82 G C -0.319 174.637 174.900 0.093 0.000 0.990 82 G CA -0.479 44.664 45.100 0.072 0.000 0.671 82 G HN 0.571 nan 8.290 nan 0.000 0.521 83 L N 2.101 123.378 121.223 0.090 0.000 2.272 83 L HA 0.607 4.947 4.340 -0.000 0.000 0.284 83 L C 0.340 177.261 176.870 0.085 0.000 1.045 83 L CA -0.374 54.526 54.840 0.100 0.000 0.842 83 L CB 0.963 43.080 42.059 0.097 0.000 1.224 83 L HN -0.026 nan 8.230 nan 0.000 0.430 84 V N 3.570 123.542 119.914 0.096 0.000 2.686 84 V HA 0.128 4.248 4.120 -0.000 0.000 0.295 84 V C 0.244 176.393 176.094 0.091 0.000 1.057 84 V CA -0.856 61.499 62.300 0.092 0.000 1.012 84 V CB 1.710 33.597 31.823 0.106 0.000 1.006 84 V HN 0.730 nan 8.190 nan 0.000 0.477 85 D N 2.865 123.314 120.400 0.082 0.000 2.458 85 D HA 0.222 4.862 4.640 -0.000 0.000 0.243 85 D C 1.037 177.405 176.300 0.113 0.000 1.146 85 D CA 0.550 54.598 54.000 0.080 0.000 0.877 85 D CB 1.561 42.401 40.800 0.067 0.000 1.176 85 D HN 0.647 nan 8.370 nan 0.000 0.461 86 A N 4.062 126.951 122.820 0.115 0.000 1.972 86 A HA -0.017 4.303 4.320 -0.000 0.000 0.219 86 A C 2.156 179.873 177.584 0.222 0.000 1.169 86 A CA 1.640 53.778 52.037 0.168 0.000 0.635 86 A CB -0.864 18.218 19.000 0.136 0.000 0.810 86 A HN 0.732 nan 8.150 nan 0.000 0.446 87 A N -1.116 121.819 122.820 0.191 0.000 2.070 87 A HA -0.154 4.166 4.320 -0.000 0.000 0.220 87 A C 1.941 179.696 177.584 0.286 0.000 1.159 87 A CA 1.586 53.771 52.037 0.247 0.000 0.656 87 A CB -0.287 18.810 19.000 0.162 0.000 0.800 87 A HN 0.670 nan 8.150 nan 0.000 0.453 88 Q N -1.332 118.594 119.800 0.210 0.000 2.189 88 Q HA 0.378 4.718 4.340 -0.000 0.000 0.223 88 Q C 0.420 176.519 176.000 0.164 0.000 0.828 88 Q CA 0.122 56.031 55.803 0.177 0.000 0.967 88 Q CB 0.541 29.359 28.738 0.133 0.000 1.139 88 Q HN 0.558 nan 8.270 nan 0.000 0.497 89 A N 1.675 124.609 122.820 0.190 0.000 2.425 89 A HA 0.306 4.626 4.320 -0.000 0.000 0.249 89 A C 0.048 177.741 177.584 0.181 0.000 1.084 89 A CA -0.193 51.956 52.037 0.187 0.000 0.781 89 A CB 0.371 19.509 19.000 0.229 0.000 1.019 89 A HN 0.044 nan 8.150 nan 0.000 0.490 90 R N 2.010 122.600 120.500 0.150 0.000 2.549 90 R HA 0.335 4.675 4.340 -0.000 0.000 0.267 90 R C -1.958 174.450 176.300 0.180 0.000 1.045 90 R CA -2.482 53.697 56.100 0.130 0.000 1.115 90 R CB -0.536 29.804 30.300 0.067 0.000 1.121 90 R HN 0.399 nan 8.270 nan 0.000 0.543 91 P HA -0.150 nan 4.420 nan 0.000 0.217 91 P C 0.818 178.295 177.300 0.295 0.000 1.148 91 P CA 1.526 64.785 63.100 0.266 0.000 0.828 91 P CB 0.211 32.082 31.700 0.284 0.000 0.783 92 S N -2.740 113.066 115.700 0.176 0.000 2.631 92 S HA 0.065 4.535 4.470 -0.000 0.000 0.217 92 S C 0.562 175.233 174.600 0.119 0.000 0.958 92 S CA -0.285 57.984 58.200 0.115 0.000 0.920 92 S CB -0.700 62.536 63.200 0.061 0.000 0.776 92 S HN -0.056 nan 8.310 nan 0.000 0.517 93 D N 2.029 122.531 120.400 0.170 0.000 2.432 93 D HA 0.383 5.023 4.640 -0.000 0.000 0.258 93 D C -0.267 176.163 176.300 0.217 0.000 1.146 93 D CA -0.406 53.696 54.000 0.170 0.000 1.015 93 D CB 0.534 41.433 40.800 0.166 0.000 1.107 93 D HN 0.365 nan 8.370 nan 0.000 0.529 94 N N -0.761 118.058 118.700 0.198 0.000 2.466 94 N HA 0.584 5.324 4.740 -0.000 0.000 0.294 94 N C -1.168 174.431 175.510 0.148 0.000 1.129 94 N CA -0.457 52.716 53.050 0.205 0.000 0.931 94 N CB 1.655 40.289 38.487 0.246 0.000 1.193 94 N HN 0.155 nan 8.380 nan 0.000 0.500 95 C N 1.613 120.959 119.300 0.077 0.000 3.146 95 C HA 0.210 4.669 4.460 -0.000 0.000 0.405 95 C C -1.181 173.770 174.990 -0.065 0.000 1.012 95 C CA -0.587 58.469 59.018 0.063 0.000 1.217 95 C CB 0.586 28.441 27.740 0.192 0.000 1.599 95 C HN 0.447 nan 8.230 nan 0.000 0.567 96 V N 6.024 125.909 119.914 -0.047 0.000 2.334 96 V HA 0.263 4.383 4.120 -0.000 0.000 0.267 96 V C 0.583 176.622 176.094 -0.091 0.000 1.040 96 V CA -0.078 62.177 62.300 -0.075 0.000 0.866 96 V CB 0.775 32.581 31.823 -0.028 0.000 1.019 96 V HN 0.866 nan 8.190 nan 0.000 0.468 97 F N 3.900 123.615 119.950 -0.393 0.000 2.234 97 F HA 0.166 4.693 4.527 -0.000 0.000 0.296 97 F C 1.224 176.972 175.800 -0.087 0.000 1.089 97 F CA 0.992 58.727 58.000 -0.441 0.000 1.343 97 F CB 0.436 38.815 39.000 -1.035 0.000 1.040 97 F HN 0.552 nan 8.300 nan 0.000 0.498 98 S N -0.032 115.588 115.700 -0.132 0.000 2.533 98 S HA 0.682 5.152 4.470 -0.000 0.000 0.271 98 S C -1.688 172.926 174.600 0.023 0.000 1.143 98 S CA -0.573 57.584 58.200 -0.070 0.000 0.891 98 S CB 1.466 64.784 63.200 0.196 0.000 1.105 98 S HN -0.087 nan 8.310 nan 0.000 0.468 99 V N 3.579 123.495 119.914 0.004 0.000 2.569 99 V HA 0.715 4.835 4.120 -0.000 0.000 0.301 99 V C -0.620 175.484 176.094 0.017 0.000 1.044 99 V CA -0.401 61.910 62.300 0.019 0.000 0.874 99 V CB 1.277 33.087 31.823 -0.022 0.000 1.002 99 V HN 1.060 nan 8.190 nan 0.000 0.424 100 E N 4.333 124.569 120.200 0.061 0.000 2.433 100 E HA 0.655 5.005 4.350 -0.000 0.000 0.278 100 E C -0.998 175.646 176.600 0.073 0.000 0.976 100 E CA -1.258 55.180 56.400 0.062 0.000 0.793 100 E CB 1.996 31.761 29.700 0.108 0.000 1.311 100 E HN 0.409 nan 8.360 nan 0.000 0.460 101 L N 1.673 122.939 121.223 0.072 0.000 2.640 101 L HA 0.044 4.384 4.340 -0.000 0.000 0.280 101 L C -0.276 176.653 176.870 0.099 0.000 1.229 101 L CA 0.780 55.661 54.840 0.069 0.000 0.919 101 L CB 0.296 42.400 42.059 0.076 0.000 1.168 101 L HN 0.679 nan 8.230 nan 0.000 0.496 102 Q N 4.893 124.739 119.800 0.076 0.000 2.349 102 Q HA 0.384 4.724 4.340 -0.000 0.000 0.254 102 Q C -1.019 175.024 176.000 0.072 0.000 0.980 102 Q CA -0.037 55.822 55.803 0.092 0.000 0.924 102 Q CB 0.419 29.208 28.738 0.084 0.000 1.209 102 Q HN 0.741 nan 8.270 nan 0.000 0.445 103 L N 6.955 128.235 121.223 0.095 0.000 2.490 103 L HA 0.231 4.571 4.340 -0.000 0.000 0.274 103 L C -1.583 175.328 176.870 0.068 0.000 1.201 103 L CA -1.424 53.456 54.840 0.067 0.000 0.869 103 L CB 0.059 42.181 42.059 0.106 0.000 1.123 103 L HN 0.646 nan 8.230 nan 0.000 0.484 104 P HA 0.191 nan 4.420 nan 0.000 0.272 104 P C -2.587 174.779 177.300 0.109 0.000 1.240 104 P CA -1.226 61.901 63.100 0.046 0.000 0.791 104 P CB -0.266 31.420 31.700 -0.022 0.000 0.978 105 P HA 0.188 nan 4.420 nan 0.000 0.278 105 P C 0.607 177.949 177.300 0.071 0.000 1.238 105 P CA -0.274 62.871 63.100 0.076 0.000 0.794 105 P CB 1.302 33.028 31.700 0.043 0.000 0.955 106 K N 1.861 122.275 120.400 0.022 0.000 2.076 106 K HA -0.061 4.259 4.320 -0.000 0.000 0.204 106 K C 1.920 178.454 176.600 -0.111 0.000 1.051 106 K CA 1.096 57.313 56.287 -0.117 0.000 0.949 106 K CB -0.516 31.788 32.500 -0.326 0.000 0.726 106 K HN 0.454 nan 8.250 nan 0.000 0.443 107 A N 1.632 124.413 122.820 -0.066 0.000 1.870 107 A HA -0.287 4.033 4.320 -0.000 0.000 0.219 107 A C 2.391 179.973 177.584 -0.004 0.000 1.224 107 A CA 2.679 54.694 52.037 -0.037 0.000 0.650 107 A CB -1.330 17.657 19.000 -0.022 0.000 0.836 107 A HN 0.510 nan 8.150 nan 0.000 0.454 108 A N -0.755 122.073 122.820 0.014 0.000 1.908 108 A HA 0.115 4.435 4.320 -0.000 0.000 0.218 108 A C 2.550 180.174 177.584 0.067 0.000 1.181 108 A CA 2.594 54.652 52.037 0.035 0.000 0.627 108 A CB -1.129 17.888 19.000 0.029 0.000 0.818 108 A HN 1.291 nan 8.150 nan 0.000 0.445 109 A N -0.420 122.444 122.820 0.074 0.000 1.877 109 A HA -0.018 4.302 4.320 -0.000 0.000 0.216 109 A C 2.205 179.865 177.584 0.126 0.000 1.186 109 A CA 1.487 53.590 52.037 0.110 0.000 0.620 109 A CB -0.595 18.532 19.000 0.213 0.000 0.822 109 A HN 0.467 nan 8.150 nan 0.000 0.443 110 L N -0.798 120.483 121.223 0.096 0.000 2.017 110 L HA -0.193 4.147 4.340 -0.000 0.000 0.208 110 L C 3.143 180.062 176.870 0.081 0.000 1.073 110 L CA 0.960 55.851 54.840 0.084 0.000 0.745 110 L CB -0.683 41.383 42.059 0.012 0.000 0.894 110 L HN 0.452 nan 8.230 nan 0.000 0.432 111 A N -0.089 122.774 122.820 0.070 0.000 1.909 111 A HA -0.382 3.938 4.320 -0.000 0.000 0.221 111 A C 2.213 179.875 177.584 0.130 0.000 1.223 111 A CA 2.635 54.718 52.037 0.078 0.000 0.658 111 A CB -1.050 17.986 19.000 0.060 0.000 0.831 111 A HN 0.595 nan 8.150 nan 0.000 0.462 112 H N -0.036 119.048 119.070 0.023 0.000 2.299 112 H HA 0.045 4.601 4.556 -0.000 0.000 0.302 112 H C 1.728 177.076 175.328 0.034 0.000 1.078 112 H CA 2.034 58.092 56.048 0.017 0.000 1.323 112 H CB -0.603 29.157 29.762 -0.005 0.000 1.381 112 H HN 0.370 nan 8.280 nan 0.000 0.498 113 L N -0.096 121.107 121.223 -0.034 0.000 2.240 113 L HA -0.041 4.299 4.340 -0.000 0.000 0.211 113 L C 1.717 178.608 176.870 0.035 0.000 1.106 113 L CA 1.096 55.877 54.840 -0.099 0.000 0.793 113 L CB -0.070 41.962 42.059 -0.046 0.000 0.927 113 L HN 0.222 nan 8.230 nan 0.000 0.446 114 D N -0.331 120.111 120.400 0.070 0.000 2.566 114 D HA 0.011 4.651 4.640 -0.000 0.000 0.253 114 D C 1.684 178.025 176.300 0.067 0.000 0.992 114 D CA 0.689 54.730 54.000 0.068 0.000 0.940 114 D CB 0.176 41.016 40.800 0.067 0.000 1.095 114 D HN 0.056 nan 8.370 nan 0.000 0.480 115 R N -0.173 120.372 120.500 0.075 0.000 2.466 115 R HA 0.334 4.674 4.340 -0.000 0.000 0.279 115 R C 1.096 177.437 176.300 0.068 0.000 0.976 115 R CA 0.460 56.597 56.100 0.062 0.000 1.081 115 R CB 0.486 30.815 30.300 0.050 0.000 1.215 115 R HN 0.207 nan 8.270 nan 0.000 0.546 116 G N -0.311 108.549 108.800 0.101 0.000 2.284 116 G HA2 -0.357 3.602 3.960 -0.000 0.000 0.261 116 G HA3 -0.357 3.602 3.960 -0.000 0.000 0.261 116 G C 0.445 175.376 174.900 0.052 0.000 0.997 116 G CA 0.540 45.694 45.100 0.090 0.000 0.621 116 G HN 0.383 nan 8.290 nan 0.000 0.534 117 S N 2.598 118.326 115.700 0.047 0.000 2.540 117 S HA 0.343 4.812 4.470 -0.000 0.000 0.272 117 S C -1.376 173.152 174.600 -0.121 0.000 1.357 117 S CA 0.346 58.541 58.200 -0.008 0.000 1.011 117 S CB 0.572 63.783 63.200 0.019 0.000 0.852 117 S HN 0.531 nan 8.310 nan 0.000 0.535 118 P HA 0.223 nan 4.420 nan 0.000 0.272 118 P C -2.561 174.581 177.300 -0.264 0.000 1.223 118 P CA -1.436 61.526 63.100 -0.230 0.000 0.784 118 P CB -0.663 30.963 31.700 -0.123 0.000 0.923 119 P HA 0.212 nan 4.420 nan 0.000 0.269 119 P C -2.394 174.883 177.300 -0.040 0.000 1.209 119 P CA -1.051 61.957 63.100 -0.153 0.000 0.776 119 P CB -0.996 30.638 31.700 -0.110 0.000 0.876 120 P HA 0.187 nan 4.420 nan 0.000 0.274 120 P C -0.338 176.961 177.300 -0.001 0.000 1.231 120 P CA -0.306 62.795 63.100 0.002 0.000 0.790 120 P CB 0.248 31.954 31.700 0.010 0.000 0.951 121 A N 2.850 125.682 122.820 0.020 0.000 2.565 121 A HA -0.009 4.310 4.320 -0.000 0.000 0.237 121 A C 0.508 178.102 177.584 0.018 0.000 1.053 121 A CA 0.143 52.204 52.037 0.040 0.000 0.755 121 A CB -0.483 18.585 19.000 0.114 0.000 0.980 121 A HN 0.501 nan 8.150 nan 0.000 0.506 122 R N 1.926 122.421 120.500 -0.008 0.000 2.242 122 R HA 0.248 4.588 4.340 -0.000 0.000 0.334 122 R C -0.318 175.961 176.300 -0.035 0.000 1.071 122 R CA 0.225 56.304 56.100 -0.034 0.000 0.922 122 R CB 0.277 30.544 30.300 -0.054 0.000 1.023 122 R HN 0.881 nan 8.270 nan 0.000 0.458 123 E N 1.506 121.695 120.200 -0.017 0.000 2.299 123 E HA 0.618 4.968 4.350 -0.000 0.000 0.260 123 E C -1.105 175.481 176.600 -0.024 0.000 0.944 123 E CA -1.113 55.275 56.400 -0.020 0.000 0.815 123 E CB 1.980 31.712 29.700 0.054 0.000 1.252 123 E HN 0.568 nan 8.360 nan 0.000 0.418 124 A N 1.153 123.950 122.820 -0.039 0.000 2.386 124 A HA 0.748 5.068 4.320 -0.000 0.000 0.308 124 A C -1.453 176.151 177.584 0.033 0.000 1.128 124 A CA -0.656 51.375 52.037 -0.011 0.000 0.789 124 A CB 1.030 20.000 19.000 -0.050 0.000 1.325 124 A HN 0.497 nan 8.150 nan 0.000 0.437 125 L N 0.916 122.183 121.223 0.074 0.000 2.376 125 L HA 0.761 5.101 4.340 -0.000 0.000 0.275 125 L C -0.130 176.816 176.870 0.127 0.000 0.987 125 L CA -0.320 54.590 54.840 0.115 0.000 0.828 125 L CB 1.564 43.718 42.059 0.159 0.000 1.249 125 L HN 0.881 nan 8.230 nan 0.000 0.409 126 A N 6.258 129.151 122.820 0.121 0.000 2.317 126 A HA 0.712 5.032 4.320 -0.000 0.000 0.327 126 A C -0.670 177.011 177.584 0.161 0.000 1.178 126 A CA -0.570 51.537 52.037 0.117 0.000 0.817 126 A CB 0.714 19.762 19.000 0.078 0.000 1.189 126 A HN 0.684 nan 8.150 nan 0.000 0.489 127 I N 2.690 123.370 120.570 0.184 0.000 2.331 127 I HA 0.375 4.545 4.170 -0.000 0.000 0.292 127 I C -0.751 175.414 176.117 0.081 0.000 0.998 127 I CA -0.583 60.853 61.300 0.228 0.000 1.267 127 I CB 1.589 39.814 38.000 0.376 0.000 1.386 127 I HN 0.268 nan 8.210 nan 0.000 0.476 128 V N 6.668 126.610 119.914 0.047 0.000 2.487 128 V HA 0.357 4.477 4.120 -0.000 0.000 0.298 128 V C -0.476 175.619 176.094 0.001 0.000 1.028 128 V CA -0.616 61.581 62.300 -0.172 0.000 0.860 128 V CB 1.840 33.401 31.823 -0.438 0.000 0.991 128 V HN 0.329 nan 8.190 nan 0.000 0.427 129 F N 4.749 124.634 119.950 -0.108 0.000 2.404 129 F HA 0.456 4.983 4.527 -0.000 0.000 0.359 129 F C 0.081 175.902 175.800 0.036 0.000 1.134 129 F CA -1.398 56.651 58.000 0.082 0.000 1.160 129 F CB 0.238 39.329 39.000 0.151 0.000 1.186 129 F HN 0.330 nan 8.300 nan 0.000 0.526 130 F N 2.020 122.208 119.950 0.396 0.000 2.467 130 F HA 0.338 4.865 4.527 -0.000 0.000 0.349 130 F C 1.401 177.134 175.800 -0.113 0.000 1.182 130 F CA -0.767 57.318 58.000 0.141 0.000 1.279 130 F CB 0.452 39.504 39.000 0.086 0.000 1.626 130 F HN 0.565 nan 8.300 nan 0.000 0.596 131 G N 1.084 109.940 108.800 0.093 0.000 2.539 131 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.215 131 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.215 131 G C 1.201 176.048 174.900 -0.088 0.000 1.141 131 G CA -0.333 44.652 45.100 -0.191 0.000 0.806 131 G HN 0.394 nan 8.290 nan 0.000 0.533 132 R N 1.237 121.761 120.500 0.041 0.000 4.164 132 R HA 0.235 4.574 4.340 -0.000 0.000 0.195 132 R C -0.305 175.998 176.300 0.004 0.000 1.712 132 R CA -0.067 56.055 56.100 0.037 0.000 1.457 132 R CB -0.606 29.744 30.300 0.084 0.000 1.387 132 R HN 0.482 nan 8.270 nan 0.000 0.785 133 Q N 0.466 120.242 119.800 -0.040 0.000 2.647 133 Q HA 0.249 4.589 4.340 -0.000 0.000 0.283 133 Q C -2.514 173.451 176.000 -0.058 0.000 0.943 133 Q CA -1.717 54.057 55.803 -0.049 0.000 0.813 133 Q CB 0.959 29.659 28.738 -0.064 0.000 1.477 133 Q HN 0.002 nan 8.270 nan 0.000 0.393 134 P HA -0.244 nan 4.420 nan 0.000 0.221 134 P C -0.282 176.988 177.300 -0.049 0.000 1.160 134 P CA 1.669 64.745 63.100 -0.041 0.000 0.933 134 P CB 0.176 31.855 31.700 -0.034 0.000 0.793 135 Q N -0.416 119.349 119.800 -0.058 0.000 2.413 135 Q HA 0.344 4.684 4.340 -0.000 0.000 0.258 135 Q C -2.550 173.392 176.000 -0.097 0.000 1.037 135 Q CA -1.898 53.868 55.803 -0.062 0.000 0.764 135 Q CB 1.521 30.235 28.738 -0.040 0.000 1.217 135 Q HN 0.128 nan 8.270 nan 0.000 0.490 136 P HA 0.151 nan 4.420 nan 0.000 0.280 136 P C -1.171 176.019 177.300 -0.184 0.000 1.244 136 P CA -0.520 62.380 63.100 -0.333 0.000 0.784 136 P CB 0.845 32.073 31.700 -0.786 0.000 0.913 137 N N 0.980 119.666 118.700 -0.023 0.000 2.453 137 N HA 0.541 5.281 4.740 -0.000 0.000 0.290 137 N C -1.243 174.455 175.510 0.313 0.000 1.250 137 N CA -1.024 52.102 53.050 0.126 0.000 0.815 137 N CB 0.741 39.289 38.487 0.101 0.000 1.381 137 N HN 0.008 nan 8.380 nan 0.000 0.510 138 V N -0.223 119.812 119.914 0.202 0.000 2.612 138 V HA 0.690 4.810 4.120 -0.000 0.000 0.301 138 V C -0.261 175.929 176.094 0.160 0.000 1.046 138 V CA -0.568 61.850 62.300 0.197 0.000 0.946 138 V CB 1.353 33.165 31.823 -0.018 0.000 1.003 138 V HN 0.801 nan 8.190 nan 0.000 0.459 139 S N 2.138 117.982 115.700 0.239 0.000 2.619 139 S HA 0.410 4.880 4.470 -0.000 0.000 0.280 139 S C -0.896 173.850 174.600 0.244 0.000 1.150 139 S CA -0.805 57.549 58.200 0.256 0.000 0.978 139 S CB 1.367 64.828 63.200 0.434 0.000 1.041 139 S HN 0.820 nan 8.310 nan 0.000 0.485 140 E N 3.090 123.439 120.200 0.247 0.000 2.197 140 E HA 0.541 4.890 4.350 -0.000 0.000 0.281 140 E C -1.038 175.693 176.600 0.217 0.000 0.995 140 E CA -0.599 55.955 56.400 0.256 0.000 0.808 140 E CB 1.157 31.038 29.700 0.302 0.000 1.093 140 E HN 0.379 nan 8.360 nan 0.000 0.394 141 L N 2.348 123.688 121.223 0.195 0.000 2.381 141 L HA 0.414 4.754 4.340 -0.000 0.000 0.274 141 L C -0.394 176.562 176.870 0.143 0.000 0.988 141 L CA -1.294 53.652 54.840 0.176 0.000 0.824 141 L CB 1.787 43.959 42.059 0.188 0.000 1.263 141 L HN 0.301 nan 8.230 nan 0.000 0.410 142 V N 3.610 123.607 119.914 0.139 0.000 2.583 142 V HA 0.331 4.451 4.120 -0.000 0.000 0.287 142 V C 0.061 176.204 176.094 0.081 0.000 1.051 142 V CA -0.347 62.024 62.300 0.119 0.000 1.010 142 V CB 1.767 33.678 31.823 0.148 0.000 0.988 142 V HN 0.475 nan 8.190 nan 0.000 0.478 143 V N 4.064 123.956 119.914 -0.036 0.000 2.488 143 V HA 0.877 4.997 4.120 -0.000 0.000 0.293 143 V C 0.347 176.166 176.094 -0.458 0.000 1.027 143 V CA 0.081 62.212 62.300 -0.282 0.000 0.862 143 V CB 1.245 32.885 31.823 -0.306 0.000 1.008 143 V HN 1.070 nan 8.190 nan 0.000 0.428 144 G N 5.408 113.641 108.800 -0.946 0.000 2.788 144 G HA2 0.855 4.815 3.960 -0.000 0.000 0.293 144 G HA3 0.855 4.815 3.960 -0.000 0.000 0.293 144 G C -3.420 170.689 174.900 -1.319 0.000 1.392 144 G CA -1.264 43.259 45.100 -0.961 0.000 0.810 144 G HN 0.471 nan 8.290 nan 0.000 0.508 145 P HA 0.599 nan 4.420 nan 0.000 0.285 145 P C -0.875 176.333 177.300 -0.153 0.000 1.280 145 P CA -0.668 62.312 63.100 -0.201 0.000 0.862 145 P CB 2.170 33.887 31.700 0.029 0.000 1.153 146 L N 2.139 123.298 121.223 -0.107 0.000 2.334 146 L HA 0.429 4.769 4.340 -0.000 0.000 0.275 146 L C -1.158 175.668 176.870 -0.074 0.000 1.036 146 L CA -1.509 53.265 54.840 -0.111 0.000 0.807 146 L CB 1.632 43.621 42.059 -0.115 0.000 1.231 146 L HN 0.336 nan 8.230 nan 0.000 0.438 147 P HA 0.085 nan 4.420 nan 0.000 0.268 147 P C -0.163 176.952 177.300 -0.309 0.000 1.329 147 P CA 0.245 63.227 63.100 -0.197 0.000 0.899 147 P CB 0.357 31.924 31.700 -0.222 0.000 1.378 148 H N 1.856 120.895 119.070 -0.052 0.000 2.572 148 H HA 0.327 4.883 4.556 -0.000 0.000 0.248 148 H C -2.322 172.973 175.328 -0.055 0.000 1.397 148 H CA -2.249 53.782 56.048 -0.029 0.000 1.319 148 H CB 0.671 30.430 29.762 -0.004 0.000 1.452 148 H HN 0.135 nan 8.280 nan 0.000 0.535 149 P HA -0.004 nan 4.420 nan 0.000 0.268 149 P C 0.754 178.071 177.300 0.028 0.000 1.204 149 P CA 0.093 63.036 63.100 -0.262 0.000 0.768 149 P CB 1.066 32.406 31.700 -0.600 0.000 0.842 150 S N 1.633 117.296 115.700 -0.062 0.000 2.733 150 S HA 0.199 4.669 4.470 -0.000 0.000 0.247 150 S C -0.017 174.799 174.600 0.360 0.000 1.043 150 S CA -0.305 58.065 58.200 0.282 0.000 1.066 150 S CB -0.461 62.860 63.200 0.202 0.000 1.045 150 S HN 0.468 nan 8.310 nan 0.000 0.586 151 Y N -0.504 119.871 120.300 0.124 0.000 2.644 151 Y HA 0.838 5.388 4.550 -0.000 0.000 0.338 151 Y C -0.940 174.968 175.900 0.012 0.000 1.119 151 Y CA -1.733 56.461 58.100 0.157 0.000 1.060 151 Y CB 1.255 39.762 38.460 0.078 0.000 1.294 151 Y HN 0.209 nan 8.280 nan 0.000 0.472 152 M N 2.627 122.464 119.600 0.394 0.000 2.296 152 M HA 0.530 5.010 4.480 -0.000 0.000 0.268 152 M C -2.267 174.191 176.300 0.264 0.000 1.048 152 M CA -0.489 54.969 55.300 0.264 0.000 0.966 152 M CB 2.288 35.079 32.600 0.318 0.000 1.912 152 M HN 0.977 nan 8.290 nan 0.000 0.484 153 R N 2.451 123.085 120.500 0.224 0.000 2.670 153 R HA 0.453 4.793 4.340 -0.000 0.000 0.289 153 R C -1.476 174.915 176.300 0.152 0.000 0.965 153 R CA -0.460 55.738 56.100 0.163 0.000 0.899 153 R CB 1.587 31.961 30.300 0.124 0.000 1.173 153 R HN 0.844 nan 8.270 nan 0.000 0.456 154 D N 3.988 124.470 120.400 0.137 0.000 2.441 154 D HA 0.056 4.696 4.640 -0.000 0.000 0.221 154 D C 1.067 177.441 176.300 0.124 0.000 1.156 154 D CA -0.435 53.653 54.000 0.147 0.000 0.896 154 D CB 1.281 42.168 40.800 0.146 0.000 1.028 154 D HN 0.378 nan 8.370 nan 0.000 0.509 155 V N 1.339 121.331 119.914 0.130 0.000 3.380 155 V HA -0.079 4.041 4.120 -0.000 0.000 0.268 155 V C 1.940 178.104 176.094 0.117 0.000 1.168 155 V CA 0.967 63.331 62.300 0.107 0.000 1.156 155 V CB -1.113 30.769 31.823 0.098 0.000 0.785 155 V HN 0.431 nan 8.190 nan 0.000 0.487 156 T N 1.886 116.536 114.554 0.160 0.000 2.653 156 T HA -0.219 4.131 4.350 -0.000 0.000 0.268 156 T C 1.890 176.704 174.700 0.190 0.000 1.035 156 T CA 2.287 64.514 62.100 0.212 0.000 1.154 156 T CB -0.467 68.507 68.868 0.177 0.000 0.862 156 T HN 0.511 nan 8.240 nan 0.000 0.441 157 V N 1.779 121.764 119.914 0.119 0.000 2.407 157 V HA -0.089 4.031 4.120 -0.000 0.000 0.245 157 V C 2.492 178.627 176.094 0.069 0.000 1.041 157 V CA 1.762 64.116 62.300 0.090 0.000 1.040 157 V CB -0.803 31.058 31.823 0.062 0.000 0.671 157 V HN 0.634 nan 8.190 nan 0.000 0.455 158 E N 0.609 120.841 120.200 0.054 0.000 2.265 158 E HA -0.223 4.127 4.350 -0.000 0.000 0.196 158 E C 2.248 178.848 176.600 0.000 0.000 0.996 158 E CA 1.306 57.723 56.400 0.028 0.000 0.832 158 E CB -0.035 29.682 29.700 0.028 0.000 0.756 158 E HN 0.548 nan 8.360 nan 0.000 0.491 159 R N -0.907 119.577 120.500 -0.027 0.000 2.121 159 R HA 0.138 4.478 4.340 -0.000 0.000 0.206 159 R C 1.174 177.353 176.300 -0.201 0.000 1.094 159 R CA 0.906 56.905 56.100 -0.167 0.000 1.055 159 R CB 0.350 30.456 30.300 -0.324 0.000 0.964 159 R HN 0.395 nan 8.270 nan 0.000 0.473 160 H N -1.252 117.853 119.070 0.058 0.000 2.512 160 H HA 0.263 4.819 4.556 -0.000 0.000 0.276 160 H C 0.389 175.737 175.328 0.032 0.000 1.126 160 H CA 0.263 56.342 56.048 0.051 0.000 1.060 160 H CB 1.089 30.878 29.762 0.045 0.000 1.646 160 H HN 0.425 nan 8.280 nan 0.000 0.571 161 G N 1.129 110.000 108.800 0.118 0.000 2.305 161 G HA2 -0.110 3.849 3.960 -0.000 0.000 0.287 161 G HA3 -0.110 3.849 3.960 -0.000 0.000 0.287 161 G C 0.545 175.485 174.900 0.066 0.000 1.036 161 G CA 0.611 45.757 45.100 0.076 0.000 0.887 161 G HN 0.987 nan 8.290 nan 0.000 0.505 162 G N -1.431 107.412 108.800 0.072 0.000 2.361 162 G HA2 0.589 4.549 3.960 -0.000 0.000 0.305 162 G HA3 0.589 4.549 3.960 -0.000 0.000 0.305 162 G C -2.899 172.020 174.900 0.031 0.000 1.367 162 G CA 0.011 45.137 45.100 0.043 0.000 0.951 162 G HN 0.660 nan 8.290 nan 0.000 0.615 163 P HA 0.497 nan 4.420 nan 0.000 0.276 163 P C -0.371 176.880 177.300 -0.082 0.000 1.261 163 P CA -0.478 62.614 63.100 -0.013 0.000 0.800 163 P CB 1.000 32.695 31.700 -0.009 0.000 1.066 164 L N 2.114 123.256 121.223 -0.136 0.000 2.272 164 L HA 0.319 4.659 4.340 -0.000 0.000 0.284 164 L C -2.098 174.621 176.870 -0.251 0.000 1.045 164 L CA -2.185 52.479 54.840 -0.294 0.000 0.842 164 L CB 0.890 42.658 42.059 -0.485 0.000 1.224 164 L HN 0.184 nan 8.230 nan 0.000 0.430 165 P HA -0.175 nan 4.420 nan 0.000 0.263 165 P C 0.044 177.151 177.300 -0.320 0.000 1.168 165 P CA 0.309 63.223 63.100 -0.310 0.000 0.759 165 P CB 0.357 31.732 31.700 -0.542 0.000 0.782 166 Y N 3.379 123.510 120.300 -0.282 0.000 2.497 166 Y HA -0.196 4.354 4.550 -0.000 0.000 0.292 166 Y C 2.115 177.882 175.900 -0.222 0.000 1.137 166 Y CA 1.638 59.600 58.100 -0.230 0.000 1.285 166 Y CB -0.704 37.688 38.460 -0.114 0.000 0.991 166 Y HN 0.540 nan 8.280 nan 0.000 0.556 167 H N -2.563 116.463 119.070 -0.074 0.000 2.547 167 H HA 0.146 4.702 4.556 -0.000 0.000 0.272 167 H C 1.816 177.066 175.328 -0.130 0.000 0.989 167 H CA 0.699 56.672 56.048 -0.125 0.000 1.214 167 H CB -0.321 29.408 29.762 -0.055 0.000 1.389 167 H HN 0.092 nan 8.280 nan 0.000 0.577 168 R N 0.868 121.206 120.500 -0.270 0.000 2.193 168 R HA 0.000 4.340 4.340 -0.000 0.000 0.213 168 R C 0.829 177.123 176.300 -0.010 0.000 1.055 168 R CA 0.229 56.280 56.100 -0.083 0.000 0.995 168 R CB -0.121 30.080 30.300 -0.164 0.000 0.893 168 R HN 0.353 nan 8.270 nan 0.000 0.459 169 R N 2.952 123.310 120.500 -0.237 0.000 2.494 169 R HA -0.024 4.316 4.340 -0.000 0.000 0.291 169 R C -2.334 173.747 176.300 -0.365 0.000 0.953 169 R CA -0.919 54.914 56.100 -0.445 0.000 1.098 169 R CB 0.136 29.773 30.300 -1.105 0.000 0.911 169 R HN -0.159 nan 8.270 nan 0.000 0.407 170 P HA -0.092 nan 4.420 nan 0.000 0.265 170 P C -0.745 176.438 177.300 -0.195 0.000 1.187 170 P CA -0.094 62.862 63.100 -0.240 0.000 0.766 170 P CB 0.530 32.066 31.700 -0.273 0.000 0.820 171 V N 5.295 125.110 119.914 -0.165 0.000 2.450 171 V HA -0.044 4.076 4.120 -0.000 0.000 0.281 171 V C 0.942 176.955 176.094 -0.134 0.000 1.019 171 V CA 0.316 62.457 62.300 -0.266 0.000 1.062 171 V CB -0.678 30.818 31.823 -0.544 0.000 0.979 171 V HN 0.366 nan 8.190 nan 0.000 0.477 172 L N 4.521 125.753 121.223 0.016 0.000 2.473 172 L HA 0.118 4.458 4.340 -0.000 0.000 0.268 172 L C 1.400 178.441 176.870 0.284 0.000 1.215 172 L CA -0.040 54.965 54.840 0.276 0.000 0.823 172 L CB 0.034 42.290 42.059 0.329 0.000 1.099 172 L HN 0.656 nan 8.230 nan 0.000 0.483 173 F N 0.270 120.431 119.950 0.353 0.000 2.202 173 F HA -0.225 4.302 4.527 -0.000 0.000 0.301 173 F C 2.377 178.361 175.800 0.307 0.000 1.082 173 F CA 1.562 59.805 58.000 0.405 0.000 1.313 173 F CB -0.035 39.163 39.000 0.330 0.000 1.024 173 F HN 0.519 nan 8.300 nan 0.000 0.495 174 Q N 0.444 120.369 119.800 0.208 0.000 2.123 174 Q HA -0.201 4.139 4.340 -0.000 0.000 0.199 174 Q C 2.264 178.300 176.000 0.061 0.000 0.966 174 Q CA 1.541 57.384 55.803 0.067 0.000 0.845 174 Q CB -0.326 28.514 28.738 0.171 0.000 0.907 174 Q HN 0.612 nan 8.270 nan 0.000 0.439 175 E N -0.567 119.685 120.200 0.087 0.000 2.085 175 E HA -0.204 4.146 4.350 -0.000 0.000 0.194 175 E C 1.615 178.201 176.600 -0.023 0.000 0.994 175 E CA 0.971 57.406 56.400 0.058 0.000 0.801 175 E CB 0.015 29.678 29.700 -0.063 0.000 0.743 175 E HN 0.313 nan 8.360 nan 0.000 0.453 176 Y N 0.204 120.518 120.300 0.023 0.000 2.224 176 Y HA -0.170 4.380 4.550 -0.000 0.000 0.289 176 Y C 2.137 177.999 175.900 -0.063 0.000 1.146 176 Y CA 0.868 58.976 58.100 0.014 0.000 1.182 176 Y CB -0.388 38.140 38.460 0.112 0.000 0.983 176 Y HN 0.095 nan 8.280 nan 0.000 0.524 177 L N -0.405 120.819 121.223 0.003 0.000 2.056 177 L HA -0.219 4.121 4.340 -0.000 0.000 0.207 177 L C 1.877 178.760 176.870 0.021 0.000 1.078 177 L CA 1.481 56.279 54.840 -0.069 0.000 0.749 177 L CB -0.326 41.603 42.059 -0.217 0.000 0.901 177 L HN 0.110 nan 8.230 nan 0.000 0.433 178 D N -0.277 120.166 120.400 0.073 0.000 2.144 178 D HA -0.151 4.489 4.640 -0.000 0.000 0.200 178 D C 2.230 178.654 176.300 0.205 0.000 0.978 178 D CA 1.287 55.374 54.000 0.144 0.000 0.833 178 D CB -0.076 40.855 40.800 0.218 0.000 0.961 178 D HN 0.334 nan 8.370 nan 0.000 0.470 179 I N 0.857 121.510 120.570 0.139 0.000 2.394 179 I HA -0.225 3.945 4.170 -0.000 0.000 0.251 179 I C 1.565 177.576 176.117 -0.178 0.000 1.136 179 I CA 1.052 62.306 61.300 -0.076 0.000 1.425 179 I CB -0.011 37.773 38.000 -0.360 0.000 1.079 179 I HN -0.164 nan 8.210 nan 0.000 0.425 180 D N 0.054 120.398 120.400 -0.094 0.000 2.234 180 D HA -0.121 4.519 4.640 -0.000 0.000 0.205 180 D C 2.244 178.577 176.300 0.055 0.000 0.962 180 D CA 0.749 54.715 54.000 -0.056 0.000 0.855 180 D CB -0.023 40.870 40.800 0.155 0.000 0.951 180 D HN 0.315 nan 8.370 nan 0.000 0.500 181 Q N -0.146 119.695 119.800 0.067 0.000 2.016 181 Q HA -0.122 4.218 4.340 -0.000 0.000 0.200 181 Q C 2.225 178.246 176.000 0.036 0.000 0.978 181 Q CA 0.876 56.727 55.803 0.079 0.000 0.833 181 Q CB -0.212 28.560 28.738 0.057 0.000 0.895 181 Q HN 0.350 nan 8.270 nan 0.000 0.427 182 M N 0.354 119.965 119.600 0.019 0.000 2.108 182 M HA -0.239 4.241 4.480 -0.000 0.000 0.257 182 M C 1.870 178.119 176.300 -0.084 0.000 1.071 182 M CA 1.699 57.000 55.300 0.002 0.000 1.093 182 M CB -0.122 32.520 32.600 0.069 0.000 1.345 182 M HN 0.156 nan 8.290 nan 0.000 0.403 183 I N -0.508 119.927 120.570 -0.225 0.000 2.193 183 I HA -0.226 3.944 4.170 -0.000 0.000 0.240 183 I C 1.763 177.667 176.117 -0.355 0.000 1.084 183 I CA 1.234 62.287 61.300 -0.411 0.000 1.365 183 I CB -0.234 37.320 38.000 -0.743 0.000 1.064 183 I HN 0.240 nan 8.210 nan 0.000 0.410 184 F N 0.593 120.542 119.950 -0.002 0.000 2.335 184 F HA -0.047 4.480 4.527 -0.000 0.000 0.296 184 F C 2.208 178.032 175.800 0.041 0.000 1.091 184 F CA 0.647 58.666 58.000 0.031 0.000 1.399 184 F CB -0.691 38.318 39.000 0.014 0.000 1.067 184 F HN 0.100 nan 8.300 nan 0.000 0.520 185 N N 0.239 119.036 118.700 0.161 0.000 2.240 185 N HA 0.027 4.767 4.740 -0.000 0.000 0.187 185 N C 1.925 177.470 175.510 0.059 0.000 1.042 185 N CA 0.915 54.026 53.050 0.102 0.000 0.861 185 N CB -0.485 38.045 38.487 0.073 0.000 1.026 185 N HN 0.166 nan 8.380 nan 0.000 0.441 186 R N 0.562 121.079 120.500 0.028 0.000 2.062 186 R HA 0.050 4.390 4.340 -0.000 0.000 0.226 186 R C 1.851 178.148 176.300 -0.004 0.000 1.125 186 R CA 0.950 57.056 56.100 0.010 0.000 0.966 186 R CB -0.041 30.262 30.300 0.004 0.000 0.861 186 R HN 0.131 nan 8.270 nan 0.000 0.433 187 E N 0.559 120.743 120.200 -0.026 0.000 2.086 187 E HA 0.040 4.390 4.350 -0.000 0.000 0.190 187 E C 1.818 178.381 176.600 -0.061 0.000 0.975 187 E CA 0.647 57.018 56.400 -0.050 0.000 0.813 187 E CB 0.151 29.804 29.700 -0.079 0.000 0.768 187 E HN 0.133 nan 8.360 nan 0.000 0.457 188 L N 0.382 121.578 121.223 -0.045 0.000 2.179 188 L HA 0.001 4.341 4.340 -0.000 0.000 0.208 188 L C -0.840 175.965 176.870 -0.110 0.000 1.096 188 L CA 0.816 55.623 54.840 -0.055 0.000 0.779 188 L CB -1.010 41.094 42.059 0.075 0.000 0.922 188 L HN 0.149 nan 8.230 nan 0.000 0.443 189 P HA -0.182 nan 4.420 nan 0.000 0.220 189 P C 1.297 178.533 177.300 -0.106 0.000 1.148 189 P CA 1.013 64.075 63.100 -0.063 0.000 0.803 189 P CB 0.015 31.741 31.700 0.043 0.000 0.782 190 Q N -1.029 118.719 119.800 -0.087 0.000 2.449 190 Q HA -0.077 4.263 4.340 -0.000 0.000 0.214 190 Q C 1.109 177.029 176.000 -0.132 0.000 0.986 190 Q CA 1.180 56.928 55.803 -0.091 0.000 0.893 190 Q CB -0.324 28.370 28.738 -0.074 0.000 0.940 190 Q HN 0.177 nan 8.270 nan 0.000 0.477 191 A N -0.406 122.294 122.820 -0.200 0.000 2.610 191 A HA 0.155 4.474 4.320 -0.000 0.000 0.290 191 A C 1.224 178.587 177.584 -0.368 0.000 1.001 191 A CA -0.023 51.856 52.037 -0.263 0.000 1.004 191 A CB 0.203 19.026 19.000 -0.295 0.000 1.220 191 A HN 0.236 nan 8.150 nan 0.000 0.507 192 S N -1.116 114.369 115.700 -0.358 0.000 2.515 192 S HA 0.024 4.494 4.470 -0.000 0.000 0.231 192 S C 1.693 176.112 174.600 -0.302 0.000 0.987 192 S CA 1.311 59.208 58.200 -0.506 0.000 0.936 192 S CB -0.260 62.732 63.200 -0.346 0.000 0.766 192 S HN 0.633 nan 8.310 nan 0.000 0.528 193 G N 1.896 110.580 108.800 -0.194 0.000 2.404 193 G HA2 -0.006 3.954 3.960 -0.000 0.000 0.213 193 G HA3 -0.006 3.954 3.960 -0.000 0.000 0.213 193 G C 1.254 176.028 174.900 -0.211 0.000 1.189 193 G CA 0.688 45.752 45.100 -0.060 0.000 0.796 193 G HN 0.463 nan 8.290 nan 0.000 0.532 194 L N 0.717 121.610 121.223 -0.550 0.000 2.012 194 L HA 0.024 4.364 4.340 -0.000 0.000 0.210 194 L C 2.605 179.106 176.870 -0.616 0.000 1.073 194 L CA 1.549 55.750 54.840 -1.065 0.000 0.748 194 L CB -0.382 41.090 42.059 -0.978 0.000 0.891 194 L HN 0.198 nan 8.230 nan 0.000 0.431 195 L N -1.376 119.570 121.223 -0.461 0.000 2.376 195 L HA -0.143 4.197 4.340 -0.000 0.000 0.219 195 L C 2.447 179.259 176.870 -0.097 0.000 1.133 195 L CA 0.847 55.510 54.840 -0.295 0.000 0.816 195 L CB -0.835 40.997 42.059 -0.379 0.000 0.933 195 L HN 0.464 nan 8.230 nan 0.000 0.449 196 H N -0.615 118.338 119.070 -0.195 0.000 2.363 196 H HA -0.149 4.407 4.556 -0.000 0.000 0.301 196 H C 2.154 177.386 175.328 -0.160 0.000 1.074 196 H CA 1.671 57.633 56.048 -0.143 0.000 1.354 196 H CB 0.075 29.685 29.762 -0.253 0.000 1.397 196 H HN 0.189 nan 8.280 nan 0.000 0.516 197 H N -1.240 117.602 119.070 -0.379 0.000 2.548 197 H HA 0.067 4.623 4.556 -0.000 0.000 0.268 197 H C 2.041 177.220 175.328 -0.249 0.000 0.975 197 H CA 0.941 56.776 56.048 -0.353 0.000 1.195 197 H CB -0.216 29.489 29.762 -0.096 0.000 1.397 197 H HN 0.602 nan 8.280 nan 0.000 0.572 198 C N -1.305 117.946 119.300 -0.082 0.000 3.294 198 C HA 0.285 4.745 4.460 -0.000 0.000 0.441 198 C C 1.129 176.200 174.990 0.136 0.000 1.364 198 C CA 0.394 59.418 59.018 0.010 0.000 2.059 198 C CB -0.357 27.370 27.740 -0.021 0.000 2.925 198 C HN 0.510 nan 8.230 nan 0.000 0.633 199 C N -1.265 118.131 119.300 0.161 0.000 3.607 199 C HA 0.549 5.009 4.460 -0.000 0.000 0.304 199 C C 0.346 175.662 174.990 0.542 0.000 2.634 199 C CA -0.698 58.546 59.018 0.377 0.000 1.594 199 C CB -2.716 25.058 27.740 0.056 0.000 3.304 199 C HN 0.489 nan 8.230 nan 0.000 0.392 200 F N -1.001 119.032 119.950 0.138 0.000 3.093 200 F HA -0.257 4.270 4.527 -0.000 0.000 0.287 200 F C 0.723 176.633 175.800 0.183 0.000 0.882 200 F CA 0.482 58.565 58.000 0.139 0.000 1.063 200 F CB -1.911 37.170 39.000 0.135 0.000 1.097 200 F HN 0.637 nan 8.300 nan 0.000 0.604 201 Y N 2.779 123.178 120.300 0.165 0.000 2.895 201 Y HA 0.150 4.700 4.550 -0.000 0.000 0.334 201 Y C 0.724 176.685 175.900 0.102 0.000 1.261 201 Y CA 0.299 58.470 58.100 0.118 0.000 1.560 201 Y CB 0.330 38.827 38.460 0.060 0.000 1.253 201 Y HN 0.016 nan 8.280 nan 0.000 0.582 205 G N 1.348 109.833 108.800 -0.524 0.000 2.186 205 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.130 205 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.130 205 G C 0.657 175.217 174.900 -0.566 0.000 1.031 205 G CA 0.038 44.887 45.100 -0.417 0.000 0.697 205 G HN 0.414 nan 8.290 nan 0.000 0.494 206 R N 0.206 120.471 120.500 -0.391 0.000 2.223 206 R HA 0.127 4.467 4.340 -0.000 0.000 0.198 206 R C 1.924 178.097 176.300 -0.211 0.000 0.984 206 R CA 0.976 56.900 56.100 -0.293 0.000 1.018 206 R CB -0.314 29.869 30.300 -0.196 0.000 0.945 206 R HN 0.492 nan 8.270 nan 0.000 0.479 207 N N 0.595 119.197 118.700 -0.163 0.000 2.424 207 N HA 0.041 4.780 4.740 -0.000 0.000 0.178 207 N C 0.333 175.864 175.510 0.036 0.000 1.060 207 N CA 0.121 53.156 53.050 -0.025 0.000 0.901 207 N CB 0.247 38.768 38.487 0.057 0.000 0.979 207 N HN 0.046 nan 8.380 nan 0.000 0.451 208 L N -0.003 121.186 121.223 -0.057 0.000 2.304 208 L HA 0.724 5.064 4.340 -0.000 0.000 0.268 208 L C -0.529 176.304 176.870 -0.061 0.000 1.010 208 L CA -1.254 53.597 54.840 0.018 0.000 0.813 208 L CB 1.993 44.137 42.059 0.142 0.000 1.315 208 L HN -0.093 nan 8.230 nan 0.000 0.445 209 V N -0.611 119.360 119.914 0.095 0.000 3.225 209 V HA 0.391 4.510 4.120 -0.000 0.000 0.293 209 V C -1.010 175.198 176.094 0.191 0.000 1.405 209 V CA -0.276 62.058 62.300 0.057 0.000 1.038 209 V CB 2.808 34.480 31.823 -0.252 0.000 1.123 209 V HN 0.804 nan 8.190 nan 0.000 0.447 210 T N 4.500 119.165 114.554 0.184 0.000 2.912 210 T HA 0.791 5.141 4.350 -0.000 0.000 0.288 210 T C -0.850 174.071 174.700 0.369 0.000 1.030 210 T CA -0.342 61.964 62.100 0.343 0.000 1.020 210 T CB 1.174 70.212 68.868 0.283 0.000 1.056 210 T HN 0.727 nan 8.240 nan 0.000 0.480 211 M N 2.385 122.333 119.600 0.580 0.000 2.421 211 M HA 0.456 4.936 4.480 -0.000 0.000 0.287 211 M C -0.604 175.862 176.300 0.277 0.000 1.183 211 M CA -0.487 55.079 55.300 0.444 0.000 0.916 211 M CB 2.102 34.967 32.600 0.441 0.000 1.701 211 M HN 0.585 nan 8.290 nan 0.000 0.470 212 T N 1.869 116.480 114.554 0.095 0.000 2.813 212 T HA 0.496 4.846 4.350 -0.000 0.000 0.297 212 T C 0.420 175.092 174.700 -0.047 0.000 1.036 212 T CA -0.173 61.823 62.100 -0.173 0.000 1.044 212 T CB 0.889 69.833 68.868 0.128 0.000 0.993 212 T HN 0.804 nan 8.240 nan 0.000 0.535 213 T N -1.947 112.498 114.554 -0.181 0.000 2.572 213 T HA 0.805 5.155 4.350 -0.000 0.000 0.244 213 T C 0.938 175.519 174.700 -0.198 0.000 0.860 213 T CA -0.229 61.731 62.100 -0.234 0.000 1.125 213 T CB 0.791 69.542 68.868 -0.196 0.000 1.491 213 T HN 0.588 nan 8.240 nan 0.000 0.532 214 A N 0.967 123.636 122.820 -0.251 0.000 2.579 214 A HA 0.741 5.061 4.320 -0.000 0.000 0.220 214 A C -2.101 175.427 177.584 -0.095 0.000 2.352 214 A CA -0.352 51.468 52.037 -0.363 0.000 1.183 214 A CB -0.970 17.777 19.000 -0.421 0.000 1.311 214 A HN 0.711 nan 8.150 nan 0.000 0.534 215 P HA 0.404 nan 4.420 nan 0.000 0.281 215 P C -1.312 176.081 177.300 0.156 0.000 1.249 215 P CA -0.323 62.800 63.100 0.038 0.000 0.810 215 P CB 0.641 32.281 31.700 -0.100 0.000 1.008 216 R N 1.793 122.421 120.500 0.213 0.000 2.471 216 R HA 0.648 4.988 4.340 -0.000 0.000 0.292 216 R C 0.577 176.959 176.300 0.138 0.000 1.192 216 R CA -0.413 55.765 56.100 0.130 0.000 1.257 216 R CB 0.135 30.456 30.300 0.034 0.000 1.130 216 R HN 0.854 nan 8.270 nan 0.000 0.558 217 G N 0.824 109.713 108.800 0.148 0.000 2.342 217 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.220 217 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.220 217 G C -0.270 174.660 174.900 0.049 0.000 1.243 217 G CA -0.919 44.182 45.100 0.002 0.000 1.083 217 G HN 0.375 nan 8.290 nan 0.000 0.500 218 L N -0.029 120.999 121.223 -0.326 0.000 3.386 218 L HA 0.574 4.914 4.340 -0.000 0.000 0.307 218 L C 0.181 176.500 176.870 -0.918 0.000 1.235 218 L CA 0.273 54.933 54.840 -0.299 0.000 1.056 218 L CB 1.067 43.038 42.059 -0.147 0.000 1.453 218 L HN 0.766 nan 8.230 nan 0.000 0.615 219 Q N -0.164 118.558 119.800 -1.797 0.000 2.541 219 Q HA 0.254 4.594 4.340 -0.000 0.000 0.259 219 Q C -1.059 174.202 176.000 -1.231 0.000 0.974 219 Q CA -0.229 54.784 55.803 -1.317 0.000 0.955 219 Q CB 1.983 30.339 28.738 -0.637 0.000 1.517 219 Q HN -0.015 nan 8.270 nan 0.000 0.412 220 S N 1.229 116.547 115.700 -0.637 0.000 2.558 220 S HA 0.357 4.827 4.470 -0.000 0.000 0.293 220 S C 1.171 175.593 174.600 -0.297 0.000 1.292 220 S CA 2.047 60.150 58.200 -0.161 0.000 1.063 220 S CB 0.014 63.243 63.200 0.049 0.000 0.831 220 S HN 1.231 nan 8.310 nan 0.000 0.499 221 G N 4.006 112.546 108.800 -0.434 0.000 2.217 221 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.246 221 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.246 221 G C -0.133 174.357 174.900 -0.684 0.000 0.990 221 G CA 0.200 44.711 45.100 -0.981 0.000 0.627 221 G HN 0.671 nan 8.290 nan 0.000 0.522 222 D N -0.390 119.731 120.400 -0.464 0.000 2.363 222 D HA 0.549 5.189 4.640 -0.000 0.000 0.240 222 D C 1.176 177.319 176.300 -0.260 0.000 1.236 222 D CA 0.239 54.034 54.000 -0.342 0.000 0.927 222 D CB 0.347 40.932 40.800 -0.358 0.000 1.150 222 D HN 0.319 nan 8.370 nan 0.000 0.458 223 R N -0.050 120.288 120.500 -0.269 0.000 2.499 223 R HA 0.452 4.792 4.340 -0.000 0.000 0.252 223 R C -1.712 174.271 176.300 -0.527 0.000 1.309 223 R CA -0.242 55.654 56.100 -0.339 0.000 1.425 223 R CB 0.222 30.305 30.300 -0.362 0.000 1.392 223 R HN 0.377 nan 8.270 nan 0.000 0.766 224 A N 1.047 123.678 122.820 -0.316 0.000 2.267 224 A HA 0.532 4.852 4.320 -0.000 0.000 0.315 224 A C -0.472 177.022 177.584 -0.150 0.000 1.297 224 A CA -0.347 51.526 52.037 -0.273 0.000 0.865 224 A CB 1.272 20.127 19.000 -0.242 0.000 1.165 224 A HN 0.217 nan 8.150 nan 0.000 0.513 225 T N 2.611 117.149 114.554 -0.027 0.000 2.758 225 T HA 0.341 4.691 4.350 -0.000 0.000 0.285 225 T C -0.393 174.349 174.700 0.069 0.000 0.981 225 T CA 0.011 62.151 62.100 0.067 0.000 0.965 225 T CB 0.245 69.237 68.868 0.207 0.000 0.927 225 T HN 0.596 nan 8.240 nan 0.000 0.448 226 W N 2.765 124.077 121.300 0.020 0.000 2.210 226 W HA 0.453 5.113 4.660 -0.000 0.000 0.330 226 W C -0.256 176.243 176.519 -0.034 0.000 1.334 226 W CA -0.393 56.984 57.345 0.052 0.000 1.227 226 W CB 0.278 29.734 29.460 -0.007 0.000 1.178 226 W HN 0.523 nan 8.180 nan 0.000 0.560 227 F N 1.911 122.072 119.950 0.352 0.000 2.539 227 F HA 0.521 5.048 4.527 -0.000 0.000 0.318 227 F C 0.811 176.764 175.800 0.255 0.000 1.135 227 F CA -0.923 57.233 58.000 0.261 0.000 0.915 227 F CB 1.431 40.524 39.000 0.155 0.000 1.176 227 F HN 0.313 nan 8.300 nan 0.000 0.440 228 G N 3.178 112.242 108.800 0.440 0.000 2.451 228 G HA2 0.651 4.611 3.960 -0.000 0.000 0.303 228 G HA3 0.651 4.611 3.960 -0.000 0.000 0.303 228 G C -1.327 173.602 174.900 0.050 0.000 1.166 228 G CA -0.549 44.701 45.100 0.250 0.000 0.884 228 G HN 0.512 nan 8.290 nan 0.000 0.514 229 L N 0.278 121.270 121.223 -0.384 0.000 2.334 229 L HA 0.600 4.940 4.340 -0.000 0.000 0.276 229 L C -1.073 175.435 176.870 -0.603 0.000 1.014 229 L CA -0.703 53.962 54.840 -0.292 0.000 0.815 229 L CB 1.818 43.772 42.059 -0.175 0.000 1.268 229 L HN 0.522 nan 8.230 nan 0.000 0.428 230 Y N 0.373 120.673 120.300 0.000 0.000 2.544 230 Y HA 0.410 4.960 4.550 -0.000 0.000 0.342 230 Y C -0.677 175.244 175.900 0.035 0.000 1.062 230 Y CA -0.926 57.211 58.100 0.062 0.000 1.023 230 Y CB 1.300 39.940 38.460 0.300 0.000 1.308 230 Y HN 0.245 nan 8.280 nan 0.000 0.457 231 Y N 1.255 121.727 120.300 0.288 0.000 2.550 231 Y HA -0.015 4.535 4.550 -0.000 0.000 0.343 231 Y C 1.007 176.997 175.900 0.150 0.000 1.245 231 Y CA 0.030 58.249 58.100 0.198 0.000 1.462 231 Y CB 0.394 38.996 38.460 0.237 0.000 1.340 231 Y HN 0.528 nan 8.280 nan 0.000 0.604 232 N N 3.262 122.107 118.700 0.242 0.000 3.298 232 N HA 0.094 4.834 4.740 -0.000 0.000 0.292 232 N C -1.111 174.461 175.510 0.103 0.000 1.271 232 N CA -0.191 52.898 53.050 0.065 0.000 1.184 232 N CB -0.621 37.852 38.487 -0.022 0.000 1.452 232 N HN 0.334 nan 8.380 nan 0.000 0.534 233 I N 0.613 121.292 120.570 0.181 0.000 2.752 233 I HA -0.062 4.108 4.170 -0.000 0.000 0.289 233 I C 1.052 177.232 176.117 0.106 0.000 1.197 233 I CA 0.054 61.468 61.300 0.190 0.000 1.432 233 I CB -0.156 37.985 38.000 0.235 0.000 1.359 233 I HN 0.261 nan 8.210 nan 0.000 0.571 234 S N 4.414 120.168 115.700 0.089 0.000 2.489 234 S HA 0.483 4.953 4.470 -0.000 0.000 0.277 234 S C 0.981 175.619 174.600 0.063 0.000 1.230 234 S CA 0.248 58.479 58.200 0.051 0.000 1.053 234 S CB 0.375 63.592 63.200 0.028 0.000 0.955 234 S HN 1.127 nan 8.310 nan 0.000 0.488 235 G N 2.752 111.579 108.800 0.046 0.000 2.143 235 G HA2 0.072 4.032 3.960 -0.000 0.000 0.248 235 G HA3 0.072 4.032 3.960 -0.000 0.000 0.248 235 G C 0.131 175.087 174.900 0.094 0.000 0.991 235 G CA 0.052 45.184 45.100 0.054 0.000 0.689 235 G HN 1.552 nan 8.290 nan 0.000 0.522 236 A N -1.659 121.220 122.820 0.097 0.000 2.586 236 A HA 0.904 5.224 4.320 -0.000 0.000 0.290 236 A C 0.363 177.928 177.584 -0.032 0.000 1.086 236 A CA 0.404 52.516 52.037 0.124 0.000 0.665 236 A CB 0.253 19.354 19.000 0.167 0.000 1.279 236 A HN 1.910 nan 8.150 nan 0.000 0.423 237 G N -0.067 108.569 108.800 -0.273 0.000 2.313 237 G HA2 0.413 4.373 3.960 -0.000 0.000 0.250 237 G HA3 0.413 4.373 3.960 -0.000 0.000 0.250 237 G C 0.466 174.954 174.900 -0.686 0.000 1.281 237 G CA 0.423 44.989 45.100 -0.889 0.000 0.917 237 G HN 1.504 nan 8.290 nan 0.000 0.501 238 F N 1.388 120.905 119.950 -0.721 0.000 2.699 238 F HA 0.180 4.707 4.527 -0.000 0.000 0.298 238 F C 1.337 176.799 175.800 -0.563 0.000 1.154 238 F CA -0.268 57.395 58.000 -0.561 0.000 1.457 238 F CB -0.400 38.299 39.000 -0.502 0.000 1.106 238 F HN 0.343 nan 8.300 nan 0.000 0.585 239 F N 0.754 120.078 119.950 -1.044 0.000 2.661 239 F HA 0.111 4.638 4.527 -0.000 0.000 0.298 239 F C 1.641 177.243 175.800 -0.330 0.000 1.137 239 F CA 0.537 58.005 58.000 -0.887 0.000 1.454 239 F CB -0.549 37.914 39.000 -0.893 0.000 1.103 239 F HN 0.051 nan 8.300 nan 0.000 0.577 240 L N -0.964 120.112 121.223 -0.246 0.000 2.529 240 L HA 0.058 4.398 4.340 -0.000 0.000 0.223 240 L C 0.313 177.230 176.870 0.077 0.000 1.113 240 L CA 0.339 55.071 54.840 -0.180 0.000 0.861 240 L CB -0.256 41.575 42.059 -0.380 0.000 1.012 240 L HN 0.119 nan 8.230 nan 0.000 0.461 241 H N -1.322 117.865 119.070 0.196 0.000 2.421 241 H HA 0.256 4.812 4.556 -0.000 0.000 0.241 241 H C -0.552 175.008 175.328 0.388 0.000 1.428 241 H CA -0.950 55.266 56.048 0.279 0.000 1.136 241 H CB -0.575 29.338 29.762 0.253 0.000 1.612 241 H HN 0.081 nan 8.280 nan 0.000 0.537 242 H N 0.231 119.546 119.070 0.409 0.000 2.928 242 H HA 0.048 4.604 4.556 -0.000 0.000 0.338 242 H C 0.882 176.250 175.328 0.067 0.000 1.047 242 H CA 0.190 56.289 56.048 0.084 0.000 1.435 242 H CB 0.918 30.767 29.762 0.145 0.000 1.428 242 H HN 0.127 nan 8.280 nan 0.000 0.590 243 V N 3.826 123.439 119.914 -0.503 0.000 3.650 243 V HA 0.171 4.291 4.120 -0.000 0.000 0.271 243 V C 1.746 177.502 176.094 -0.563 0.000 1.281 243 V CA 1.042 63.082 62.300 -0.433 0.000 1.120 243 V CB 0.024 31.561 31.823 -0.476 0.000 0.856 243 V HN 1.148 nan 8.190 nan 0.000 0.443 244 G N 0.320 108.732 108.800 -0.647 0.000 2.218 244 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.216 244 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.216 244 G C -0.198 174.546 174.900 -0.261 0.000 0.994 244 G CA 0.074 44.832 45.100 -0.570 0.000 0.637 244 G HN 0.327 nan 8.290 nan 0.000 0.505 245 L N 1.819 122.918 121.223 -0.206 0.000 2.289 245 L HA 0.802 5.142 4.340 -0.000 0.000 0.285 245 L C -0.243 176.657 176.870 0.050 0.000 1.049 245 L CA -0.689 54.178 54.840 0.045 0.000 0.804 245 L CB 1.150 43.213 42.059 0.006 0.000 1.195 245 L HN 0.251 nan 8.230 nan 0.000 0.428 246 E N 5.746 126.096 120.200 0.249 0.000 2.263 246 E HA 0.481 4.831 4.350 -0.000 0.000 0.268 246 E C -1.516 175.387 176.600 0.505 0.000 0.884 246 E CA -0.582 56.036 56.400 0.363 0.000 0.766 246 E CB 2.140 32.034 29.700 0.324 0.000 1.196 246 E HN 0.483 nan 8.360 nan 0.000 0.416 247 L N 3.230 124.713 121.223 0.433 0.000 2.325 247 L HA 0.409 4.749 4.340 -0.000 0.000 0.281 247 L C -0.702 176.213 176.870 0.075 0.000 1.004 247 L CA -1.100 53.884 54.840 0.240 0.000 0.823 247 L CB 1.118 43.229 42.059 0.087 0.000 1.236 247 L HN 0.317 nan 8.230 nan 0.000 0.415 248 L N 5.012 125.947 121.223 -0.481 0.000 2.295 248 L HA 0.346 4.686 4.340 -0.000 0.000 0.288 248 L C -0.368 176.288 176.870 -0.358 0.000 1.079 248 L CA 0.177 54.484 54.840 -0.888 0.000 0.830 248 L CB 1.044 42.151 42.059 -1.587 0.000 1.200 248 L HN 0.300 nan 8.230 nan 0.000 0.438 249 V N 5.582 125.412 119.914 -0.139 0.000 2.439 249 V HA 0.308 4.427 4.120 -0.000 0.000 0.282 249 V C 0.133 176.173 176.094 -0.091 0.000 1.039 249 V CA -0.633 61.627 62.300 -0.067 0.000 0.913 249 V CB 1.600 33.425 31.823 0.004 0.000 0.983 249 V HN 0.857 nan 8.190 nan 0.000 0.460 250 N N 3.353 121.970 118.700 -0.138 0.000 2.457 250 N HA 0.286 5.026 4.740 -0.000 0.000 0.250 250 N C 0.371 175.686 175.510 -0.327 0.000 0.982 250 N CA -0.526 52.398 53.050 -0.210 0.000 0.941 250 N CB 0.399 38.794 38.487 -0.152 0.000 1.120 250 N HN 0.858 nan 8.380 nan 0.000 0.505 251 H N 2.416 121.143 119.070 -0.572 0.000 2.492 251 H HA 0.194 4.750 4.556 -0.000 0.000 0.264 251 H C 0.686 175.693 175.328 -0.534 0.000 1.150 251 H CA -0.426 54.873 56.048 -1.249 0.000 0.962 251 H CB 0.104 28.773 29.762 -1.820 0.000 1.766 251 H HN 0.518 nan 8.280 nan 0.000 0.589 252 K N 1.483 121.716 120.400 -0.279 0.000 2.097 252 K HA 0.038 4.358 4.320 -0.000 0.000 0.206 252 K C 0.982 177.678 176.600 0.160 0.000 1.049 252 K CA 0.795 57.034 56.287 -0.081 0.000 0.933 252 K CB 0.037 32.481 32.500 -0.093 0.000 0.717 252 K HN 0.332 nan 8.250 nan 0.000 0.442 253 A N 0.752 123.763 122.820 0.319 0.000 2.507 253 A HA 0.079 4.399 4.320 -0.000 0.000 0.235 253 A C 0.834 178.652 177.584 0.389 0.000 1.070 253 A CA -0.007 52.228 52.037 0.331 0.000 0.768 253 A CB 0.058 19.259 19.000 0.336 0.000 1.011 253 A HN 0.400 nan 8.150 nan 0.000 0.502 254 L N -0.268 121.085 121.223 0.217 0.000 2.591 254 L HA 0.166 4.506 4.340 -0.000 0.000 0.228 254 L C 0.228 177.126 176.870 0.047 0.000 1.133 254 L CA 0.268 55.217 54.840 0.182 0.000 0.880 254 L CB -0.408 41.737 42.059 0.144 0.000 1.033 254 L HN 0.644 nan 8.230 nan 0.000 0.450 255 D N 0.497 120.869 120.400 -0.047 0.000 2.464 255 D HA 0.247 4.887 4.640 -0.000 0.000 0.243 255 D C -1.728 174.235 176.300 -0.561 0.000 1.104 255 D CA -2.239 51.634 54.000 -0.211 0.000 0.883 255 D CB 1.622 42.351 40.800 -0.119 0.000 1.050 255 D HN -0.236 nan 8.370 nan 0.000 0.524 256 P HA -0.204 nan 4.420 nan 0.000 0.219 256 P C 1.004 177.752 177.300 -0.919 0.000 1.145 256 P CA 1.190 63.177 63.100 -1.854 0.000 0.813 256 P CB 0.238 31.143 31.700 -1.324 0.000 0.771 257 A N -0.544 121.994 122.820 -0.470 0.000 1.972 257 A HA -0.168 4.152 4.320 -0.000 0.000 0.219 257 A C 2.292 179.795 177.584 -0.136 0.000 1.169 257 A CA 1.271 53.172 52.037 -0.226 0.000 0.635 257 A CB -1.002 17.906 19.000 -0.152 0.000 0.810 257 A HN 0.069 nan 8.150 nan 0.000 0.446 258 R N -1.654 118.755 120.500 -0.151 0.000 2.323 258 R HA -0.053 4.287 4.340 -0.000 0.000 0.198 258 R C -0.493 175.908 176.300 0.168 0.000 0.988 258 R CA -0.306 55.793 56.100 -0.000 0.000 1.041 258 R CB -0.011 30.296 30.300 0.012 0.000 0.926 258 R HN 0.570 nan 8.270 nan 0.000 0.476 259 W N 1.172 122.472 121.300 0.000 0.000 2.251 259 W HA 0.053 4.713 4.660 -0.000 0.000 0.327 259 W C 0.988 177.498 176.519 -0.016 0.000 1.361 259 W CA -0.532 56.814 57.345 0.002 0.000 1.234 259 W CB 0.251 29.719 29.460 0.013 0.000 1.212 259 W HN -0.039 nan 8.180 nan 0.000 0.557 260 T N 1.283 115.943 114.554 0.177 0.000 2.889 260 T HA 0.735 5.085 4.350 -0.000 0.000 0.278 260 T C -0.445 174.263 174.700 0.014 0.000 0.995 260 T CA -0.812 61.329 62.100 0.068 0.000 0.966 260 T CB 1.387 70.273 68.868 0.031 0.000 1.237 260 T HN 0.186 nan 8.240 nan 0.000 0.591 261 I N 2.347 122.908 120.570 -0.015 0.000 2.537 261 I HA 0.216 4.386 4.170 -0.000 0.000 0.276 261 I C 1.279 177.357 176.117 -0.064 0.000 1.063 261 I CA -0.396 60.873 61.300 -0.052 0.000 1.144 261 I CB 1.304 39.280 38.000 -0.040 0.000 1.252 261 I HN 0.859 nan 8.210 nan 0.000 0.480 262 Q N 2.663 122.397 119.800 -0.109 0.000 2.112 262 Q HA -0.097 4.243 4.340 -0.000 0.000 0.206 262 Q C 0.312 176.270 176.000 -0.071 0.000 0.987 262 Q CA 1.621 57.361 55.803 -0.104 0.000 0.858 262 Q CB 0.459 29.104 28.738 -0.155 0.000 0.905 262 Q HN 0.432 nan 8.270 nan 0.000 0.420 263 K N -1.260 119.073 120.400 -0.112 0.000 2.522 263 K HA 0.540 4.859 4.320 -0.000 0.000 0.275 263 K C -1.487 175.184 176.600 0.118 0.000 1.006 263 K CA -0.657 55.659 56.287 0.049 0.000 0.890 263 K CB 2.364 34.976 32.500 0.187 0.000 1.475 263 K HN -0.194 nan 8.250 nan 0.000 0.441 264 V N 1.117 121.227 119.914 0.326 0.000 2.971 264 V HA 0.544 4.664 4.120 -0.000 0.000 0.309 264 V C -1.617 174.770 176.094 0.489 0.000 1.130 264 V CA -0.882 61.645 62.300 0.379 0.000 0.964 264 V CB 2.297 34.269 31.823 0.248 0.000 1.029 264 V HN 0.699 nan 8.190 nan 0.000 0.427 265 F N 4.347 124.448 119.950 0.251 0.000 2.579 265 F HA 0.670 5.197 4.527 -0.000 0.000 0.325 265 F C -1.617 174.228 175.800 0.075 0.000 1.162 265 F CA -0.566 57.437 58.000 0.005 0.000 0.946 265 F CB 1.407 40.300 39.000 -0.179 0.000 1.211 265 F HN 0.498 nan 8.300 nan 0.000 0.447 266 Y N 5.579 125.628 120.300 -0.418 0.000 2.338 266 Y HA 0.311 4.861 4.550 -0.000 0.000 0.333 266 Y C 0.280 175.767 175.900 -0.688 0.000 0.968 266 Y CA -0.813 57.059 58.100 -0.381 0.000 1.123 266 Y CB 1.264 39.609 38.460 -0.192 0.000 1.165 266 Y HN 0.736 nan 8.280 nan 0.000 0.452 267 Q N 4.380 123.506 119.800 -1.124 0.000 2.434 267 Q HA -0.282 4.058 4.340 -0.000 0.000 0.299 267 Q C 0.915 176.098 176.000 -1.362 0.000 1.286 267 Q CA 1.406 56.463 55.803 -1.243 0.000 0.872 267 Q CB -1.294 26.645 28.738 -1.331 0.000 1.193 267 Q HN 1.333 nan 8.270 nan 0.000 0.466 268 G N -0.766 107.302 108.800 -1.221 0.000 2.232 268 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.226 268 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.226 268 G C 0.055 174.492 174.900 -0.772 0.000 0.996 268 G CA 0.154 44.788 45.100 -0.777 0.000 0.626 268 G HN 0.296 nan 8.290 nan 0.000 0.509 269 R N -0.524 119.383 120.500 -0.989 0.000 2.711 269 R HA 0.629 4.969 4.340 -0.000 0.000 0.284 269 R C -1.046 174.710 176.300 -0.907 0.000 0.968 269 R CA -0.719 54.962 56.100 -0.699 0.000 0.924 269 R CB 1.089 31.098 30.300 -0.485 0.000 1.162 269 R HN 0.153 nan 8.270 nan 0.000 0.465 270 Y N 1.597 121.597 120.300 -0.500 0.000 2.320 270 Y HA 0.338 4.888 4.550 -0.000 0.000 0.334 270 Y C -0.459 175.124 175.900 -0.528 0.000 1.055 270 Y CA -0.184 57.759 58.100 -0.261 0.000 1.143 270 Y CB 1.040 39.505 38.460 0.008 0.000 1.193 270 Y HN 0.410 nan 8.280 nan 0.000 0.477 271 Y N 0.080 120.511 120.300 0.219 0.000 2.605 271 Y HA 0.261 4.811 4.550 -0.000 0.000 0.343 271 Y C 0.581 176.562 175.900 0.135 0.000 1.036 271 Y CA -1.282 56.895 58.100 0.128 0.000 1.065 271 Y CB 1.400 39.896 38.460 0.060 0.000 1.288 271 Y HN 0.555 nan 8.280 nan 0.000 0.481 272 D N -0.284 120.266 120.400 0.252 0.000 2.366 272 D HA 0.080 4.720 4.640 -0.000 0.000 0.205 272 D C -0.139 176.226 176.300 0.109 0.000 1.022 272 D CA 0.788 54.878 54.000 0.149 0.000 0.868 272 D CB 0.598 41.460 40.800 0.103 0.000 0.953 272 D HN 0.466 nan 8.370 nan 0.000 0.514 273 S N -1.586 114.181 115.700 0.112 0.000 2.636 273 S HA 0.289 4.759 4.470 -0.000 0.000 0.268 273 S C 0.605 175.219 174.600 0.024 0.000 1.159 273 S CA -0.722 57.510 58.200 0.054 0.000 0.815 273 S CB 0.744 63.958 63.200 0.023 0.000 1.130 273 S HN -0.075 nan 8.310 nan 0.000 0.471 274 L N 0.746 121.956 121.223 -0.021 0.000 2.201 274 L HA 0.048 4.388 4.340 -0.000 0.000 0.212 274 L C 2.902 179.709 176.870 -0.105 0.000 1.105 274 L CA 1.492 56.284 54.840 -0.080 0.000 0.775 274 L CB -0.917 41.086 42.059 -0.093 0.000 0.913 274 L HN 0.928 nan 8.230 nan 0.000 0.440 275 A N -0.279 122.501 122.820 -0.067 0.000 1.898 275 A HA -0.263 4.057 4.320 -0.000 0.000 0.216 275 A C 2.270 179.811 177.584 -0.070 0.000 1.181 275 A CA 1.626 53.625 52.037 -0.063 0.000 0.620 275 A CB -0.471 18.507 19.000 -0.036 0.000 0.819 275 A HN 0.464 nan 8.150 nan 0.000 0.442 276 Q N -0.981 118.786 119.800 -0.054 0.000 2.224 276 Q HA -0.108 4.232 4.340 -0.000 0.000 0.203 276 Q C 1.862 177.752 176.000 -0.182 0.000 0.970 276 Q CA 1.381 57.154 55.803 -0.050 0.000 0.865 276 Q CB -0.145 28.617 28.738 0.040 0.000 0.922 276 Q HN 0.564 nan 8.270 nan 0.000 0.445 277 L N 0.573 121.614 121.223 -0.304 0.000 2.131 277 L HA -0.043 4.297 4.340 -0.000 0.000 0.206 277 L C 2.015 178.677 176.870 -0.347 0.000 1.087 277 L CA 1.821 56.295 54.840 -0.609 0.000 0.767 277 L CB -0.182 41.514 42.059 -0.605 0.000 0.917 277 L HN 0.151 nan 8.230 nan 0.000 0.441 278 E N -0.081 119.995 120.200 -0.207 0.000 2.152 278 E HA -0.080 4.270 4.350 -0.000 0.000 0.192 278 E C 2.066 178.654 176.600 -0.020 0.000 0.983 278 E CA 1.166 57.515 56.400 -0.086 0.000 0.818 278 E CB -0.161 29.480 29.700 -0.097 0.000 0.758 278 E HN 0.530 nan 8.360 nan 0.000 0.467 279 A N 0.691 123.473 122.820 -0.063 0.000 1.858 279 A HA -0.219 4.101 4.320 -0.000 0.000 0.216 279 A C 2.137 179.692 177.584 -0.048 0.000 1.190 279 A CA 1.648 53.658 52.037 -0.046 0.000 0.617 279 A CB -0.638 18.338 19.000 -0.039 0.000 0.827 279 A HN 0.275 nan 8.150 nan 0.000 0.443 280 Q N -1.778 117.978 119.800 -0.074 0.000 2.291 280 Q HA -0.152 4.188 4.340 -0.000 0.000 0.206 280 Q C 1.811 177.805 176.000 -0.009 0.000 0.976 280 Q CA 1.336 57.107 55.803 -0.053 0.000 0.875 280 Q CB -0.314 28.357 28.738 -0.112 0.000 0.927 280 Q HN 0.781 nan 8.270 nan 0.000 0.450 281 F N 1.687 121.545 119.950 -0.154 0.000 2.118 281 F HA -0.040 4.486 4.527 -0.000 0.000 0.293 281 F C 1.923 177.685 175.800 -0.062 0.000 1.102 281 F CA 1.210 59.140 58.000 -0.116 0.000 1.247 281 F CB -0.125 38.780 39.000 -0.158 0.000 1.017 281 F HN -0.045 nan 8.300 nan 0.000 0.475 282 E N 0.186 120.181 120.200 -0.342 0.000 2.265 282 E HA -0.106 4.244 4.350 -0.000 0.000 0.196 282 E C 1.895 178.347 176.600 -0.248 0.000 0.996 282 E CA 0.711 56.895 56.400 -0.359 0.000 0.832 282 E CB -0.303 29.323 29.700 -0.122 0.000 0.756 282 E HN 0.449 nan 8.360 nan 0.000 0.491 283 A N 0.301 123.020 122.820 -0.168 0.000 2.255 283 A HA 0.159 4.479 4.320 -0.000 0.000 0.206 283 A C 1.705 179.215 177.584 -0.123 0.000 1.193 283 A CA 0.741 52.711 52.037 -0.112 0.000 0.794 283 A CB -0.738 18.227 19.000 -0.058 0.000 0.794 283 A HN 0.329 nan 8.150 nan 0.000 0.481 284 G N -1.178 107.496 108.800 -0.210 0.000 2.212 284 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.267 284 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.267 284 G C 0.656 175.516 174.900 -0.067 0.000 1.002 284 G CA 0.731 45.727 45.100 -0.173 0.000 0.729 284 G HN 0.588 nan 8.290 nan 0.000 0.517 285 L N -0.457 120.746 121.223 -0.034 0.000 2.592 285 L HA 0.363 4.703 4.340 -0.000 0.000 0.227 285 L C 0.502 177.422 176.870 0.083 0.000 1.127 285 L CA 0.144 55.001 54.840 0.029 0.000 0.884 285 L CB 0.633 42.712 42.059 0.034 0.000 1.065 285 L HN 0.129 nan 8.230 nan 0.000 0.457 286 V N 0.738 120.721 119.914 0.116 0.000 2.349 286 V HA 0.162 4.282 4.120 -0.000 0.000 0.284 286 V C -0.020 176.200 176.094 0.211 0.000 1.014 286 V CA -0.810 61.600 62.300 0.182 0.000 0.826 286 V CB 1.471 33.421 31.823 0.211 0.000 1.009 286 V HN 0.175 nan 8.190 nan 0.000 0.431 287 N N 4.537 123.345 118.700 0.179 0.000 2.423 287 N HA 0.047 4.786 4.740 -0.000 0.000 0.275 287 N C -0.727 174.909 175.510 0.209 0.000 1.283 287 N CA 0.241 53.400 53.050 0.181 0.000 0.932 287 N CB 1.212 39.808 38.487 0.182 0.000 1.185 287 N HN 0.404 nan 8.380 nan 0.000 0.483 288 V N 4.631 124.673 119.914 0.214 0.000 2.427 288 V HA 0.325 4.445 4.120 -0.000 0.000 0.286 288 V C -0.175 176.021 176.094 0.170 0.000 1.034 288 V CA -0.600 61.821 62.300 0.202 0.000 0.893 288 V CB 1.818 33.737 31.823 0.160 0.000 0.982 288 V HN 0.326 nan 8.190 nan 0.000 0.452 289 V N 6.666 126.691 119.914 0.185 0.000 2.513 289 V HA 0.430 4.550 4.120 -0.000 0.000 0.299 289 V C -0.213 175.979 176.094 0.164 0.000 1.035 289 V CA -0.861 61.560 62.300 0.202 0.000 0.889 289 V CB 1.655 33.664 31.823 0.310 0.000 0.988 289 V HN 0.673 nan 8.190 nan 0.000 0.440 290 L N 5.677 126.993 121.223 0.154 0.000 2.315 290 L HA 0.478 4.817 4.340 -0.000 0.000 0.283 290 L C -0.325 176.649 176.870 0.173 0.000 1.089 290 L CA 0.440 55.379 54.840 0.164 0.000 0.833 290 L CB 0.413 42.563 42.059 0.152 0.000 1.170 290 L HN 0.504 nan 8.230 nan 0.000 0.442 291 I N 8.237 128.908 120.570 0.168 0.000 2.312 291 I HA 0.306 4.476 4.170 -0.000 0.000 0.291 291 I C -1.785 174.480 176.117 0.246 0.000 1.031 291 I CA -1.562 59.789 61.300 0.085 0.000 1.293 291 I CB 0.596 38.670 38.000 0.124 0.000 1.403 291 I HN 0.564 nan 8.210 nan 0.000 0.484 292 P HA 0.017 nan 4.420 nan 0.000 0.271 292 P C -0.151 177.064 177.300 -0.142 0.000 1.238 292 P CA 0.132 63.231 63.100 -0.002 0.000 0.794 292 P CB 0.857 32.574 31.700 0.028 0.000 0.959 293 D N -1.320 118.753 120.400 -0.544 0.000 2.434 293 D HA 0.027 4.667 4.640 -0.000 0.000 0.288 293 D C 0.126 175.977 176.300 -0.747 0.000 1.083 293 D CA 0.192 53.612 54.000 -0.967 0.000 0.903 293 D CB 0.205 40.242 40.800 -1.273 0.000 1.476 293 D HN 0.540 nan 8.370 nan 0.000 0.502 294 N N -1.418 116.776 118.700 -0.843 0.000 2.761 294 N HA 0.682 5.422 4.740 -0.000 0.000 0.283 294 N C -0.084 174.456 175.510 -1.616 0.000 1.377 294 N CA -0.530 51.833 53.050 -1.144 0.000 0.791 294 N CB 2.416 40.567 38.487 -0.559 0.000 1.540 294 N HN 0.075 nan 8.380 nan 0.000 0.539 295 G N -1.269 106.506 108.800 -1.709 0.000 2.340 295 G HA2 0.470 4.430 3.960 -0.000 0.000 0.299 295 G HA3 0.470 4.430 3.960 -0.000 0.000 0.299 295 G C -1.695 172.735 174.900 -0.782 0.000 1.291 295 G CA -0.295 43.924 45.100 -1.467 0.000 0.841 295 G HN 0.944 nan 8.290 nan 0.000 0.500 296 T N -3.112 111.300 114.554 -0.237 0.000 2.900 296 T HA 0.746 5.096 4.350 -0.000 0.000 0.295 296 T C 0.406 175.256 174.700 0.249 0.000 1.044 296 T CA 0.381 62.513 62.100 0.053 0.000 0.995 296 T CB 1.526 70.396 68.868 0.003 0.000 1.072 296 T HN 2.649 nan 8.240 nan 0.000 0.473 297 G N 0.087 109.022 108.800 0.225 0.000 3.341 297 G HA2 0.329 4.289 3.960 -0.000 0.000 0.374 297 G HA3 0.329 4.289 3.960 -0.000 0.000 0.374 297 G C 0.918 175.943 174.900 0.208 0.000 0.885 297 G CA 0.425 45.635 45.100 0.184 0.000 0.740 297 G HN 2.485 nan 8.290 nan 0.000 0.390 298 G N 1.880 110.777 108.800 0.162 0.000 5.347 298 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.299 298 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.299 298 G C 1.957 176.920 174.900 0.106 0.000 1.492 298 G CA 1.189 46.353 45.100 0.106 0.000 0.991 298 G HN 2.112 nan 8.290 nan 0.000 0.749 299 S N 0.221 115.974 115.700 0.089 0.000 2.440 299 S HA -0.080 4.389 4.470 -0.000 0.000 0.238 299 S C 1.594 176.046 174.600 -0.247 0.000 1.010 299 S CA 2.227 60.374 58.200 -0.088 0.000 0.972 299 S CB -0.303 62.819 63.200 -0.129 0.000 0.774 299 S HN 0.680 nan 8.310 nan 0.000 0.501 300 W N 0.149 121.566 121.300 0.194 0.000 2.835 300 W HA 0.506 5.165 4.660 -0.000 0.000 0.278 300 W C 1.007 177.603 176.519 0.129 0.000 1.075 300 W CA -0.375 57.086 57.345 0.194 0.000 1.439 300 W CB 0.019 29.572 29.460 0.155 0.000 0.927 300 W HN -0.006 nan 8.180 nan 0.000 0.604 301 S N -0.038 115.840 115.700 0.296 0.000 2.715 301 S HA 0.591 5.061 4.470 -0.000 0.000 0.307 301 S C 0.165 174.859 174.600 0.157 0.000 1.119 301 S CA -0.508 57.813 58.200 0.203 0.000 0.937 301 S CB 1.204 64.499 63.200 0.159 0.000 1.150 301 S HN 0.027 nan 8.310 nan 0.000 0.521 302 L N 0.744 122.042 121.223 0.125 0.000 2.685 302 L HA 0.405 4.745 4.340 -0.000 0.000 0.235 302 L C 0.775 177.675 176.870 0.050 0.000 1.070 302 L CA 0.082 54.970 54.840 0.080 0.000 0.888 302 L CB 0.101 42.214 42.059 0.091 0.000 1.203 302 L HN 0.502 nan 8.230 nan 0.000 0.499 303 K N 1.630 122.064 120.400 0.056 0.000 2.436 303 K HA 0.032 4.352 4.320 -0.000 0.000 0.282 303 K C 0.113 176.729 176.600 0.027 0.000 1.044 303 K CA 0.070 56.378 56.287 0.034 0.000 1.028 303 K CB 0.792 33.312 32.500 0.035 0.000 0.919 303 K HN -0.106 nan 8.250 nan 0.000 0.474 304 S N 4.488 120.195 115.700 0.011 0.000 2.549 304 S HA 0.149 4.619 4.470 -0.000 0.000 0.279 304 S C -1.184 173.420 174.600 0.006 0.000 1.321 304 S CA -1.479 56.725 58.200 0.006 0.000 1.054 304 S CB 0.792 63.988 63.200 -0.006 0.000 0.899 304 S HN 0.569 nan 8.310 nan 0.000 0.497 305 P HA 0.048 nan 4.420 nan 0.000 0.229 305 P C -0.054 177.245 177.300 -0.002 0.000 1.160 305 P CA 0.330 63.434 63.100 0.006 0.000 0.777 305 P CB -0.047 31.659 31.700 0.011 0.000 0.814 306 V N 2.926 122.837 119.914 -0.005 0.000 2.530 306 V HA 0.196 4.316 4.120 -0.000 0.000 0.282 306 V C -1.926 174.159 176.094 -0.015 0.000 1.048 306 V CA -1.367 60.927 62.300 -0.010 0.000 0.997 306 V CB 0.244 32.060 31.823 -0.011 0.000 0.987 306 V HN 0.062 nan 8.190 nan 0.000 0.477 307 P HA 0.351 nan 4.420 nan 0.000 0.274 307 P C -2.558 174.726 177.300 -0.027 0.000 1.231 307 P CA -1.296 61.791 63.100 -0.021 0.000 0.790 307 P CB -0.323 31.365 31.700 -0.020 0.000 0.951 308 P HA 0.158 nan 4.420 nan 0.000 0.262 308 P C 0.448 177.726 177.300 -0.037 0.000 1.182 308 P CA 0.385 63.461 63.100 -0.040 0.000 0.761 308 P CB 0.308 31.978 31.700 -0.049 0.000 0.795 309 G N 3.372 112.150 108.800 -0.037 0.000 2.583 309 G HA2 0.533 4.493 3.960 -0.000 0.000 0.280 309 G HA3 0.533 4.493 3.960 -0.000 0.000 0.280 309 G C -2.203 172.674 174.900 -0.038 0.000 1.376 309 G CA -0.941 44.139 45.100 -0.034 0.000 1.043 309 G HN 0.443 nan 8.290 nan 0.000 0.538 310 P HA 0.347 nan 4.420 nan 0.000 0.267 310 P C -0.167 177.107 177.300 -0.042 0.000 1.200 310 P CA -0.016 63.062 63.100 -0.038 0.000 0.772 310 P CB 0.720 32.401 31.700 -0.032 0.000 0.855 311 A N 3.946 126.737 122.820 -0.049 0.000 2.332 311 A HA 0.551 4.871 4.320 -0.000 0.000 0.258 311 A C -1.741 175.815 177.584 -0.047 0.000 1.087 311 A CA -0.901 51.102 52.037 -0.056 0.000 0.802 311 A CB -1.245 17.712 19.000 -0.072 0.000 1.042 311 A HN 0.488 nan 8.150 nan 0.000 0.489 312 P HA 0.502 nan 4.420 nan 0.000 0.276 312 P C -2.562 174.720 177.300 -0.030 0.000 1.261 312 P CA -1.146 61.934 63.100 -0.034 0.000 0.800 312 P CB -0.693 30.987 31.700 -0.033 0.000 1.066 313 P HA 0.288 nan 4.420 nan 0.000 0.271 313 P C -1.107 176.192 177.300 -0.002 0.000 1.218 313 P CA -0.149 62.947 63.100 -0.006 0.000 0.780 313 P CB 0.277 31.980 31.700 0.005 0.000 0.901 314 L N 1.701 122.930 121.223 0.009 0.000 2.386 314 L HA 0.394 4.734 4.340 -0.000 0.000 0.271 314 L C -0.724 176.192 176.870 0.077 0.000 0.993 314 L CA -0.360 54.493 54.840 0.022 0.000 0.819 314 L CB 1.957 44.006 42.059 -0.016 0.000 1.294 314 L HN 0.282 nan 8.230 nan 0.000 0.414 315 Q N 4.281 124.122 119.800 0.070 0.000 2.256 315 Q HA 0.578 4.918 4.340 -0.000 0.000 0.257 315 Q C -1.491 174.538 176.000 0.049 0.000 0.936 315 Q CA -0.535 55.304 55.803 0.061 0.000 0.903 315 Q CB 2.080 30.810 28.738 -0.013 0.000 1.263 315 Q HN 0.636 nan 8.270 nan 0.000 0.440 316 F N -0.643 119.163 119.950 -0.240 0.000 2.643 316 F HA 0.562 5.089 4.527 -0.000 0.000 0.314 316 F C -1.726 173.863 175.800 -0.351 0.000 1.096 316 F CA -1.335 56.470 58.000 -0.326 0.000 0.953 316 F CB 1.098 40.037 39.000 -0.102 0.000 1.345 316 F HN 0.308 nan 8.300 nan 0.000 0.468 317 Y N 1.842 122.062 120.300 -0.133 0.000 2.504 317 Y HA 0.414 4.964 4.550 -0.000 0.000 0.339 317 Y C -1.963 173.767 175.900 -0.283 0.000 0.974 317 Y CA -2.352 55.621 58.100 -0.212 0.000 1.232 317 Y CB 0.565 39.003 38.460 -0.037 0.000 1.108 317 Y HN 0.419 nan 8.280 nan 0.000 0.509 318 P HA -0.207 nan 4.420 nan 0.000 0.216 318 P C -0.027 177.292 177.300 0.031 0.000 1.154 318 P CA 1.673 64.646 63.100 -0.211 0.000 0.865 318 P CB 0.254 31.834 31.700 -0.199 0.000 0.789 319 Q N -1.092 118.729 119.800 0.034 0.000 2.719 319 Q HA 0.502 4.842 4.340 -0.000 0.000 0.376 319 Q C 0.093 176.117 176.000 0.039 0.000 0.856 319 Q CA -0.413 55.419 55.803 0.049 0.000 1.038 319 Q CB 0.313 29.070 28.738 0.032 0.000 1.418 319 Q HN 0.097 nan 8.270 nan 0.000 0.395 320 G N 1.847 110.688 108.800 0.068 0.000 2.758 320 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.686 320 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.686 320 G C -2.803 172.039 174.900 -0.097 0.000 1.389 320 G CA -0.908 44.199 45.100 0.011 0.000 0.845 320 G HN 0.365 nan 8.290 nan 0.000 0.572 321 P HA 0.373 nan 4.420 nan 0.000 0.271 321 P C 0.483 177.522 177.300 -0.435 0.000 1.244 321 P CA -0.169 62.523 63.100 -0.681 0.000 0.793 321 P CB 0.328 31.512 31.700 -0.860 0.000 0.984 322 R N 0.338 120.603 120.500 -0.391 0.000 2.629 322 R HA 0.325 4.665 4.340 -0.000 0.000 0.386 322 R C -0.389 175.913 176.300 0.003 0.000 1.071 322 R CA -0.069 55.958 56.100 -0.122 0.000 1.104 322 R CB -0.169 30.132 30.300 0.002 0.000 1.370 322 R HN 0.509 nan 8.270 nan 0.000 0.574 323 F N -1.412 118.456 119.950 -0.137 0.000 2.711 323 F HA 0.708 5.235 4.527 -0.000 0.000 0.313 323 F C -0.950 174.786 175.800 -0.107 0.000 1.141 323 F CA -1.365 56.571 58.000 -0.106 0.000 0.941 323 F CB 1.283 40.224 39.000 -0.099 0.000 1.349 323 F HN -0.145 nan 8.300 nan 0.000 0.464 324 S N 0.560 116.327 115.700 0.111 0.000 2.540 324 S HA 0.786 5.256 4.470 -0.000 0.000 0.275 324 S C -1.952 172.728 174.600 0.134 0.000 1.123 324 S CA -0.723 57.491 58.200 0.023 0.000 0.907 324 S CB 1.534 64.707 63.200 -0.045 0.000 1.081 324 S HN 0.878 nan 8.310 nan 0.000 0.476 325 V N 2.602 122.591 119.914 0.125 0.000 2.328 325 V HA 0.512 4.632 4.120 -0.000 0.000 0.278 325 V C -0.491 175.648 176.094 0.074 0.000 1.021 325 V CA -0.303 62.068 62.300 0.118 0.000 0.838 325 V CB 0.971 32.898 31.823 0.172 0.000 0.999 325 V HN 0.950 nan 8.190 nan 0.000 0.447 326 Q N 3.259 123.086 119.800 0.044 0.000 2.381 326 Q HA 0.601 4.941 4.340 -0.000 0.000 0.263 326 Q C 0.741 176.744 176.000 0.005 0.000 1.030 326 Q CA 0.822 56.639 55.803 0.024 0.000 0.772 326 Q CB 1.464 30.205 28.738 0.005 0.000 1.232 326 Q HN 1.038 nan 8.270 nan 0.000 0.476 327 G N 1.773 110.577 108.800 0.006 0.000 2.601 327 G HA2 -0.398 3.562 3.960 -0.000 0.000 0.306 327 G HA3 -0.398 3.562 3.960 -0.000 0.000 0.306 327 G C 0.713 175.517 174.900 -0.160 0.000 1.172 327 G CA 0.570 45.642 45.100 -0.046 0.000 0.966 327 G HN 1.006 nan 8.290 nan 0.000 0.542 328 S N 0.702 116.264 115.700 -0.229 0.000 2.577 328 S HA 0.469 4.939 4.470 -0.000 0.000 0.219 328 S C 0.823 175.248 174.600 -0.292 0.000 0.962 328 S CA 0.460 58.356 58.200 -0.508 0.000 0.921 328 S CB 0.255 63.252 63.200 -0.338 0.000 0.789 328 S HN 0.667 nan 8.310 nan 0.000 0.497 329 R N 1.234 121.686 120.500 -0.079 0.000 2.439 329 R HA 0.569 4.909 4.340 -0.000 0.000 0.310 329 R C -1.396 174.848 176.300 -0.093 0.000 0.955 329 R CA -0.469 55.595 56.100 -0.061 0.000 0.853 329 R CB 2.097 32.371 30.300 -0.044 0.000 1.171 329 R HN 0.148 nan 8.270 nan 0.000 0.449 330 V N 2.004 121.710 119.914 -0.348 0.000 2.539 330 V HA 0.693 4.813 4.120 -0.000 0.000 0.292 330 V C 0.057 175.938 176.094 -0.355 0.000 1.045 330 V CA -0.681 61.345 62.300 -0.456 0.000 0.945 330 V CB 1.627 32.818 31.823 -1.054 0.000 0.993 330 V HN 0.890 nan 8.190 nan 0.000 0.464 331 A N 3.353 126.089 122.820 -0.140 0.000 2.398 331 A HA 0.918 5.238 4.320 -0.000 0.000 0.301 331 A C -0.351 177.251 177.584 0.029 0.000 1.041 331 A CA -0.123 51.880 52.037 -0.058 0.000 0.711 331 A CB 1.987 20.967 19.000 -0.033 0.000 1.240 331 A HN 1.205 nan 8.150 nan 0.000 0.420 332 S N 0.405 116.132 115.700 0.045 0.000 2.638 332 S HA 0.579 5.049 4.470 -0.000 0.000 0.274 332 S C 1.046 175.663 174.600 0.028 0.000 1.157 332 S CA 0.391 58.641 58.200 0.083 0.000 0.826 332 S CB 1.041 64.334 63.200 0.155 0.000 1.139 332 S HN 1.783 nan 8.310 nan 0.000 0.474 333 S N 0.171 115.884 115.700 0.022 0.000 2.389 333 S HA -0.147 4.322 4.470 -0.000 0.000 0.231 333 S C 1.400 175.933 174.600 -0.111 0.000 1.052 333 S CA 2.075 60.257 58.200 -0.030 0.000 1.053 333 S CB -0.891 62.305 63.200 -0.007 0.000 0.886 333 S HN 0.638 nan 8.310 nan 0.000 0.456 334 L N -2.387 118.763 121.223 -0.121 0.000 2.500 334 L HA 0.397 4.737 4.340 -0.000 0.000 0.219 334 L C 0.174 176.727 176.870 -0.529 0.000 1.057 334 L CA -0.247 54.331 54.840 -0.436 0.000 0.854 334 L CB 0.117 41.882 42.059 -0.489 0.000 1.078 334 L HN 0.300 nan 8.230 nan 0.000 0.480 335 W N -0.860 120.377 121.300 -0.105 0.000 2.736 335 W HA 0.538 5.198 4.660 -0.000 0.000 0.335 335 W C -0.301 176.179 176.519 -0.065 0.000 1.059 335 W CA -0.446 56.855 57.345 -0.074 0.000 1.226 335 W CB 2.058 31.430 29.460 -0.145 0.000 1.416 335 W HN -0.440 nan 8.180 nan 0.000 0.505 336 T N 3.780 118.507 114.554 0.288 0.000 2.991 336 T HA 0.623 4.973 4.350 -0.000 0.000 0.303 336 T C -1.367 173.475 174.700 0.236 0.000 1.015 336 T CA -0.443 61.736 62.100 0.132 0.000 1.007 336 T CB 0.306 69.210 68.868 0.061 0.000 1.034 336 T HN 0.280 nan 8.240 nan 0.000 0.446 337 F N 0.566 120.504 119.950 -0.020 0.000 2.741 337 F HA 0.867 5.394 4.527 -0.000 0.000 0.313 337 F C -0.652 175.192 175.800 0.073 0.000 1.153 337 F CA -1.134 56.868 58.000 0.004 0.000 0.931 337 F CB 1.094 40.048 39.000 -0.077 0.000 1.335 337 F HN 0.400 nan 8.300 nan 0.000 0.460 338 S N 0.804 116.647 115.700 0.237 0.000 2.621 338 S HA 0.890 5.360 4.470 -0.000 0.000 0.302 338 S C -1.230 173.599 174.600 0.382 0.000 1.093 338 S CA -0.504 57.815 58.200 0.199 0.000 1.017 338 S CB 1.205 64.531 63.200 0.209 0.000 1.077 338 S HN 1.030 nan 8.310 nan 0.000 0.517 339 F N 0.117 120.125 119.950 0.096 0.000 2.645 339 F HA 0.930 5.457 4.527 -0.000 0.000 0.310 339 F C -0.223 175.560 175.800 -0.029 0.000 1.102 339 F CA -0.273 57.758 58.000 0.051 0.000 0.952 339 F CB 1.099 40.112 39.000 0.021 0.000 1.326 339 F HN 0.882 nan 8.300 nan 0.000 0.456 340 G N 1.138 110.018 108.800 0.132 0.000 2.441 340 G HA2 0.549 4.509 3.960 -0.000 0.000 0.294 340 G HA3 0.549 4.509 3.960 -0.000 0.000 0.294 340 G C -2.690 172.406 174.900 0.326 0.000 1.393 340 G CA -1.071 44.126 45.100 0.161 0.000 0.796 340 G HN 0.856 nan 8.290 nan 0.000 0.494 341 L N 0.604 122.018 121.223 0.319 0.000 2.409 341 L HA 0.649 4.989 4.340 -0.000 0.000 0.272 341 L C 0.959 177.935 176.870 0.178 0.000 0.980 341 L CA -0.787 54.084 54.840 0.052 0.000 0.826 341 L CB 2.171 43.934 42.059 -0.494 0.000 1.268 341 L HN 0.854 nan 8.230 nan 0.000 0.407 342 G N 0.852 109.715 108.800 0.105 0.000 2.594 342 G HA2 0.371 4.331 3.960 -0.000 0.000 0.243 342 G HA3 0.371 4.331 3.960 -0.000 0.000 0.243 342 G C 0.866 175.795 174.900 0.048 0.000 1.229 342 G CA 0.247 45.431 45.100 0.140 0.000 0.843 342 G HN 0.839 nan 8.290 nan 0.000 0.578 343 A N 0.431 123.238 122.820 -0.020 0.000 1.968 343 A HA 0.191 4.511 4.320 -0.000 0.000 0.217 343 A C 1.735 178.949 177.584 -0.617 0.000 1.169 343 A CA 1.222 53.047 52.037 -0.354 0.000 0.638 343 A CB -0.180 18.368 19.000 -0.753 0.000 0.812 343 A HN 0.538 nan 8.150 nan 0.000 0.446 344 F N -0.463 119.559 119.950 0.120 0.000 2.514 344 F HA 0.057 4.583 4.527 -0.000 0.000 0.281 344 F C 2.736 178.548 175.800 0.020 0.000 1.060 344 F CA 0.840 58.897 58.000 0.094 0.000 1.397 344 F CB -0.504 38.552 39.000 0.094 0.000 1.129 344 F HN 0.219 nan 8.300 nan 0.000 0.620 345 S N -0.304 115.475 115.700 0.132 0.000 2.406 345 S HA 0.357 4.826 4.470 -0.000 0.000 0.228 345 S C 1.519 176.011 174.600 -0.181 0.000 1.020 345 S CA 0.671 58.864 58.200 -0.013 0.000 0.965 345 S CB -0.725 62.490 63.200 0.025 0.000 0.798 345 S HN 0.682 nan 8.310 nan 0.000 0.488 346 G N 1.358 110.052 108.800 -0.176 0.000 2.527 346 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.227 346 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.227 346 G C -3.052 171.676 174.900 -0.288 0.000 1.291 346 G CA -0.549 44.363 45.100 -0.314 0.000 0.904 346 G HN 0.501 nan 8.290 nan 0.000 0.577 347 P HA 0.389 nan 4.420 nan 0.000 0.268 347 P C -0.029 177.176 177.300 -0.159 0.000 1.208 347 P CA 0.630 63.617 63.100 -0.187 0.000 0.777 347 P CB 0.402 31.980 31.700 -0.203 0.000 0.875 348 R N 1.337 121.793 120.500 -0.073 0.000 2.687 348 R HA 0.699 5.039 4.340 -0.000 0.000 0.265 348 R C -1.622 174.577 176.300 -0.170 0.000 1.048 348 R CA -0.952 55.030 56.100 -0.197 0.000 0.884 348 R CB 0.601 30.758 30.300 -0.239 0.000 1.258 348 R HN 0.401 nan 8.270 nan 0.000 0.469 349 I N -1.438 118.893 120.570 -0.398 0.000 2.686 349 I HA 0.669 4.839 4.170 -0.000 0.000 0.295 349 I C -1.371 174.365 176.117 -0.636 0.000 1.114 349 I CA -1.019 60.135 61.300 -0.243 0.000 1.038 349 I CB 2.079 40.035 38.000 -0.074 0.000 1.238 349 I HN 0.487 nan 8.210 nan 0.000 0.420 350 F N 2.124 121.942 119.950 -0.221 0.000 2.561 350 F HA 0.489 5.016 4.527 -0.000 0.000 0.321 350 F C 0.262 175.865 175.800 -0.329 0.000 1.065 350 F CA -0.344 57.318 58.000 -0.565 0.000 0.934 350 F CB 1.599 39.805 39.000 -1.324 0.000 1.215 350 F HN 0.735 nan 8.300 nan 0.000 0.471 351 D N 1.424 121.754 120.400 -0.117 0.000 2.718 351 D HA -0.150 4.490 4.640 -0.000 0.000 0.242 351 D C -1.039 175.355 176.300 0.157 0.000 1.123 351 D CA 0.232 54.270 54.000 0.062 0.000 0.690 351 D CB -0.725 40.148 40.800 0.121 0.000 1.059 351 D HN 0.144 nan 8.370 nan 0.000 0.429 352 V N 2.366 122.373 119.914 0.155 0.000 2.470 352 V HA 0.267 4.387 4.120 -0.000 0.000 0.276 352 V C 1.142 177.407 176.094 0.285 0.000 1.040 352 V CA 0.282 62.733 62.300 0.252 0.000 1.008 352 V CB 1.137 33.087 31.823 0.212 0.000 0.990 352 V HN 0.127 nan 8.190 nan 0.000 0.477 353 R N 4.673 125.369 120.500 0.327 0.000 2.422 353 R HA 0.353 4.692 4.340 -0.000 0.000 0.307 353 R C -1.129 175.284 176.300 0.188 0.000 1.004 353 R CA -0.545 55.697 56.100 0.238 0.000 0.882 353 R CB 1.884 32.274 30.300 0.150 0.000 1.164 353 R HN 0.626 nan 8.270 nan 0.000 0.489 354 F N 3.283 123.216 119.950 -0.028 0.000 2.421 354 F HA 0.070 4.597 4.527 -0.000 0.000 0.358 354 F C 0.741 176.457 175.800 -0.141 0.000 1.115 354 F CA 0.144 57.919 58.000 -0.375 0.000 1.160 354 F CB 0.676 39.410 39.000 -0.444 0.000 1.123 354 F HN 0.605 nan 8.300 nan 0.000 0.508 355 Q N 4.813 124.098 119.800 -0.859 0.000 2.416 355 Q HA -0.260 4.080 4.340 -0.000 0.000 0.319 355 Q C 1.179 177.084 176.000 -0.159 0.000 1.318 355 Q CA 0.943 56.450 55.803 -0.495 0.000 0.915 355 Q CB -1.430 27.007 28.738 -0.502 0.000 1.184 355 Q HN 1.313 nan 8.270 nan 0.000 0.444 356 G N -0.204 108.539 108.800 -0.094 0.000 2.267 356 G HA2 -0.387 3.573 3.960 -0.000 0.000 0.257 356 G HA3 -0.387 3.573 3.960 -0.000 0.000 0.257 356 G C -0.050 174.886 174.900 0.060 0.000 0.998 356 G CA 0.458 45.554 45.100 -0.006 0.000 0.620 356 G HN 0.556 nan 8.290 nan 0.000 0.529 357 E N 0.746 121.014 120.200 0.113 0.000 2.227 357 E HA 0.525 4.875 4.350 -0.000 0.000 0.282 357 E C 0.637 177.353 176.600 0.194 0.000 1.015 357 E CA -0.960 55.537 56.400 0.163 0.000 0.823 357 E CB 0.507 30.338 29.700 0.218 0.000 1.081 357 E HN 0.461 nan 8.360 nan 0.000 0.396 358 R N 4.922 125.524 120.500 0.171 0.000 2.438 358 R HA 0.131 4.471 4.340 -0.000 0.000 0.287 358 R C 0.161 176.554 176.300 0.154 0.000 1.077 358 R CA -0.125 56.078 56.100 0.171 0.000 1.034 358 R CB 0.514 30.913 30.300 0.166 0.000 0.993 358 R HN 0.742 nan 8.270 nan 0.000 0.459 359 L N 4.092 125.372 121.223 0.094 0.000 2.433 359 L HA 0.218 4.558 4.340 -0.000 0.000 0.200 359 L C 0.401 177.234 176.870 -0.062 0.000 1.059 359 L CA 0.008 54.798 54.840 -0.083 0.000 0.835 359 L CB 0.238 42.121 42.059 -0.293 0.000 1.076 359 L HN 0.536 nan 8.230 nan 0.000 0.481 360 V N -4.039 115.875 119.914 0.001 0.000 2.656 360 V HA 0.284 4.404 4.120 -0.000 0.000 0.307 360 V C 0.549 176.689 176.094 0.077 0.000 1.051 360 V CA -0.790 61.516 62.300 0.010 0.000 0.893 360 V CB 1.638 33.425 31.823 -0.060 0.000 0.999 360 V HN 0.214 nan 8.190 nan 0.000 0.426 361 Y N 3.140 123.440 120.300 0.001 0.000 2.200 361 Y HA 0.247 4.797 4.550 -0.000 0.000 0.290 361 Y C 1.050 176.957 175.900 0.010 0.000 1.137 361 Y CA 1.936 60.060 58.100 0.041 0.000 1.163 361 Y CB 0.364 38.865 38.460 0.069 0.000 0.988 361 Y HN 0.900 nan 8.280 nan 0.000 0.518 362 E N -0.061 120.031 120.200 -0.179 0.000 2.354 362 E HA 0.419 4.769 4.350 -0.000 0.000 0.283 362 E C -1.934 174.447 176.600 -0.365 0.000 0.938 362 E CA -0.522 55.594 56.400 -0.473 0.000 0.777 362 E CB 1.269 30.791 29.700 -0.297 0.000 1.222 362 E HN 0.142 nan 8.360 nan 0.000 0.423 363 I N 3.057 123.353 120.570 -0.458 0.000 2.499 363 I HA 0.391 4.561 4.170 -0.000 0.000 0.288 363 I C -1.016 174.916 176.117 -0.309 0.000 1.048 363 I CA -0.620 60.510 61.300 -0.283 0.000 1.062 363 I CB 2.073 39.954 38.000 -0.200 0.000 1.238 363 I HN 0.565 nan 8.210 nan 0.000 0.426 364 S N 5.871 121.459 115.700 -0.186 0.000 2.566 364 S HA 0.494 4.964 4.470 -0.000 0.000 0.273 364 S C -0.982 173.540 174.600 -0.129 0.000 1.157 364 S CA -0.820 57.273 58.200 -0.179 0.000 0.938 364 S CB 1.791 64.869 63.200 -0.203 0.000 1.087 364 S HN 0.500 nan 8.310 nan 0.000 0.474 365 L N 2.655 123.734 121.223 -0.239 0.000 2.525 365 L HA 0.292 4.632 4.340 -0.000 0.000 0.278 365 L C 0.998 177.615 176.870 -0.422 0.000 1.218 365 L CA 1.057 55.568 54.840 -0.548 0.000 0.878 365 L CB 0.146 41.702 42.059 -0.839 0.000 1.127 365 L HN 0.868 nan 8.230 nan 0.000 0.492 366 Q N 2.174 121.683 119.800 -0.485 0.000 2.442 366 Q HA 0.294 4.634 4.340 -0.000 0.000 0.228 366 Q C -0.164 175.616 176.000 -0.366 0.000 0.902 366 Q CA 0.414 56.031 55.803 -0.310 0.000 0.933 366 Q CB 0.570 29.175 28.738 -0.221 0.000 1.071 366 Q HN 0.696 nan 8.270 nan 0.000 0.562 367 E N -1.150 118.714 120.200 -0.559 0.000 2.388 367 E HA 0.670 5.020 4.350 -0.000 0.000 0.281 367 E C -1.990 174.344 176.600 -0.443 0.000 1.046 367 E CA -0.339 55.801 56.400 -0.433 0.000 0.825 367 E CB 1.672 31.116 29.700 -0.426 0.000 1.243 367 E HN 0.038 nan 8.360 nan 0.000 0.438 368 A N 2.186 124.894 122.820 -0.186 0.000 2.386 368 A HA 0.854 5.174 4.320 -0.000 0.000 0.311 368 A C -1.710 175.941 177.584 0.111 0.000 1.068 368 A CA -0.595 51.370 52.037 -0.121 0.000 0.743 368 A CB 1.068 19.868 19.000 -0.334 0.000 1.258 368 A HN 0.442 nan 8.150 nan 0.000 0.429 369 L N 1.227 122.550 121.223 0.166 0.000 2.388 369 L HA 0.906 5.246 4.340 -0.000 0.000 0.264 369 L C -0.469 176.407 176.870 0.010 0.000 0.998 369 L CA -0.140 54.727 54.840 0.046 0.000 0.817 369 L CB 2.093 44.079 42.059 -0.122 0.000 1.338 369 L HN 1.232 nan 8.230 nan 0.000 0.414 370 A N 5.469 128.266 122.820 -0.038 0.000 2.499 370 A HA 0.712 5.032 4.320 -0.000 0.000 0.280 370 A C -1.228 176.326 177.584 -0.050 0.000 1.135 370 A CA -0.222 51.756 52.037 -0.097 0.000 0.744 370 A CB 0.427 19.414 19.000 -0.021 0.000 1.213 370 A HN 0.607 nan 8.150 nan 0.000 0.434 371 I N 2.670 123.142 120.570 -0.162 0.000 2.331 371 I HA 0.431 4.601 4.170 -0.000 0.000 0.292 371 I C -0.575 175.483 176.117 -0.097 0.000 0.998 371 I CA -0.244 61.003 61.300 -0.088 0.000 1.267 371 I CB 0.932 38.853 38.000 -0.132 0.000 1.386 371 I HN 0.660 nan 8.210 nan 0.000 0.476 372 Y N 3.497 123.779 120.300 -0.030 0.000 2.631 372 Y HA 0.842 5.392 4.550 -0.000 0.000 0.328 372 Y C 0.716 176.609 175.900 -0.012 0.000 1.118 372 Y CA -0.625 57.473 58.100 -0.003 0.000 1.206 372 Y CB 1.931 40.367 38.460 -0.040 0.000 1.337 372 Y HN 0.520 nan 8.280 nan 0.000 0.515 373 G N -1.241 107.667 108.800 0.179 0.000 2.684 373 G HA2 0.627 4.587 3.960 -0.000 0.000 0.290 373 G HA3 0.627 4.587 3.960 -0.000 0.000 0.290 373 G C -1.015 173.899 174.900 0.025 0.000 1.425 373 G CA -0.318 44.839 45.100 0.094 0.000 0.822 373 G HN 1.027 nan 8.290 nan 0.000 0.482 374 G N -0.792 107.861 108.800 -0.245 0.000 2.320 374 G HA2 0.290 4.250 3.960 -0.000 0.000 0.297 374 G HA3 0.290 4.250 3.960 -0.000 0.000 0.297 374 G C 0.146 174.458 174.900 -0.979 0.000 1.344 374 G CA -0.075 44.704 45.100 -0.535 0.000 0.851 374 G HN 0.545 nan 8.290 nan 0.000 0.567 375 N N -0.326 117.978 118.700 -0.659 0.000 2.120 375 N HA -0.038 4.702 4.740 -0.000 0.000 0.188 375 N C 1.512 176.833 175.510 -0.314 0.000 1.024 375 N CA 1.642 54.476 53.050 -0.361 0.000 0.852 375 N CB -0.186 38.285 38.487 -0.026 0.000 1.003 375 N HN 0.751 nan 8.380 nan 0.000 0.424 376 S N -0.259 115.188 115.700 -0.421 0.000 2.617 376 S HA 0.423 4.893 4.470 -0.000 0.000 0.283 376 S C -1.958 172.129 174.600 -0.855 0.000 1.189 376 S CA -1.372 56.342 58.200 -0.811 0.000 1.036 376 S CB 2.095 64.952 63.200 -0.572 0.000 1.014 376 S HN -0.065 nan 8.310 nan 0.000 0.522 377 P HA -0.041 nan 4.420 nan 0.000 0.217 377 P C 1.499 178.207 177.300 -0.986 0.000 1.150 377 P CA 1.594 64.026 63.100 -1.114 0.000 0.832 377 P CB -0.174 30.401 31.700 -1.874 0.000 0.787 378 A N 0.270 122.560 122.820 -0.882 0.000 1.858 378 A HA -0.124 4.196 4.320 -0.000 0.000 0.216 378 A C 2.374 179.744 177.584 -0.357 0.000 1.190 378 A CA 2.320 54.075 52.037 -0.469 0.000 0.617 378 A CB -1.657 17.228 19.000 -0.191 0.000 0.827 378 A HN 0.190 nan 8.150 nan 0.000 0.443 379 A N 0.531 123.138 122.820 -0.355 0.000 1.865 379 A HA -0.191 4.129 4.320 -0.000 0.000 0.217 379 A C 2.335 179.809 177.584 -0.184 0.000 1.191 379 A CA 2.348 54.227 52.037 -0.263 0.000 0.623 379 A CB -0.723 18.149 19.000 -0.214 0.000 0.826 379 A HN 0.876 nan 8.150 nan 0.000 0.444 380 M N -2.321 117.133 119.600 -0.242 0.000 2.562 380 M HA 0.049 4.529 4.480 -0.000 0.000 0.257 380 M C 1.254 177.493 176.300 -0.102 0.000 1.099 380 M CA 1.921 57.127 55.300 -0.157 0.000 1.099 380 M CB -0.579 31.897 32.600 -0.206 0.000 1.427 380 M HN 0.107 nan 8.290 nan 0.000 0.489 381 T N 0.911 115.380 114.554 -0.141 0.000 3.067 381 T HA 0.070 4.420 4.350 -0.000 0.000 0.257 381 T C 0.453 175.125 174.700 -0.047 0.000 1.105 381 T CA 0.608 62.677 62.100 -0.052 0.000 1.104 381 T CB -0.078 68.783 68.868 -0.013 0.000 0.925 381 T HN 0.428 nan 8.240 nan 0.000 0.498 382 T N 3.321 117.814 114.554 -0.102 0.000 2.761 382 T HA 0.404 4.754 4.350 -0.000 0.000 0.296 382 T C -0.038 174.639 174.700 -0.039 0.000 0.934 382 T CA -0.201 61.796 62.100 -0.171 0.000 1.091 382 T CB 0.416 69.072 68.868 -0.354 0.000 0.896 382 T HN 0.019 nan 8.240 nan 0.000 0.515 383 R N 2.917 123.361 120.500 -0.094 0.000 2.576 383 R HA 0.285 4.625 4.340 -0.000 0.000 0.283 383 R C -1.388 174.876 176.300 -0.059 0.000 1.493 383 R CA -0.522 55.545 56.100 -0.055 0.000 1.170 383 R CB 0.358 30.636 30.300 -0.038 0.000 1.189 383 R HN 0.581 nan 8.270 nan 0.000 0.542 384 Y N 1.045 121.353 120.300 0.012 0.000 2.402 384 Y HA 0.198 4.748 4.550 -0.000 0.000 0.333 384 Y C 0.665 176.590 175.900 0.041 0.000 1.076 384 Y CA -0.361 57.776 58.100 0.061 0.000 1.299 384 Y CB 1.082 39.555 38.460 0.022 0.000 1.197 384 Y HN 0.146 nan 8.280 nan 0.000 0.517 385 V N 4.878 124.955 119.914 0.272 0.000 2.270 385 V HA 0.047 4.167 4.120 -0.000 0.000 0.263 385 V C 0.302 176.588 176.094 0.320 0.000 1.066 385 V CA -0.592 61.846 62.300 0.229 0.000 0.857 385 V CB 0.697 32.656 31.823 0.227 0.000 1.099 385 V HN 0.815 nan 8.190 nan 0.000 0.476 386 D N 4.094 124.662 120.400 0.280 0.000 2.309 386 D HA -0.095 4.545 4.640 -0.000 0.000 0.212 386 D C 2.102 178.589 176.300 0.311 0.000 0.968 386 D CA 1.352 55.535 54.000 0.305 0.000 0.882 386 D CB 0.210 41.135 40.800 0.209 0.000 0.918 386 D HN 0.671 nan 8.370 nan 0.000 0.503 387 G N 0.704 109.640 108.800 0.227 0.000 2.422 387 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.218 387 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.218 387 G C 1.707 176.770 174.900 0.272 0.000 1.146 387 G CA 0.850 46.080 45.100 0.215 0.000 0.769 387 G HN 0.387 nan 8.290 nan 0.000 0.547 388 G N -0.215 108.717 108.800 0.220 0.000 2.498 388 G HA2 -0.045 3.914 3.960 -0.000 0.000 0.219 388 G HA3 -0.045 3.914 3.960 -0.000 0.000 0.219 388 G C 1.400 176.331 174.900 0.051 0.000 1.119 388 G CA 0.614 45.760 45.100 0.077 0.000 0.766 388 G HN 0.396 nan 8.290 nan 0.000 0.552 389 F N 0.285 120.395 119.950 0.267 0.000 2.298 389 F HA 0.425 4.952 4.527 -0.000 0.000 0.282 389 F C 1.545 177.666 175.800 0.535 0.000 1.045 389 F CA 1.027 59.220 58.000 0.323 0.000 1.280 389 F CB 0.093 39.048 39.000 -0.074 0.000 1.114 389 F HN 0.278 nan 8.300 nan 0.000 0.546 390 G N 0.004 109.160 108.800 0.593 0.000 3.160 390 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.573 390 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.573 390 G C -0.071 175.024 174.900 0.324 0.000 1.286 390 G CA -0.627 44.766 45.100 0.490 0.000 1.151 390 G HN 0.027 nan 8.290 nan 0.000 0.555 391 M N 1.907 121.604 119.600 0.162 0.000 2.213 391 M HA 0.098 4.578 4.480 -0.000 0.000 0.263 391 M C 2.459 178.745 176.300 -0.023 0.000 1.062 391 M CA 2.886 58.241 55.300 0.092 0.000 1.105 391 M CB -0.128 32.433 32.600 -0.065 0.000 1.385 391 M HN 0.804 nan 8.290 nan 0.000 0.417 392 G N -0.989 107.723 108.800 -0.146 0.000 2.411 392 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.213 392 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.213 392 G C 1.554 176.275 174.900 -0.299 0.000 1.166 392 G CA 0.533 45.396 45.100 -0.394 0.000 0.802 392 G HN 0.413 nan 8.290 nan 0.000 0.533 393 K N -0.465 119.869 120.400 -0.109 0.000 2.032 393 K HA -0.112 4.208 4.320 -0.000 0.000 0.209 393 K C 1.537 177.996 176.600 -0.235 0.000 1.048 393 K CA 1.108 57.287 56.287 -0.179 0.000 0.927 393 K CB -0.289 32.161 32.500 -0.083 0.000 0.712 393 K HN 0.377 nan 8.250 nan 0.000 0.441 394 Y N 1.220 121.491 120.300 -0.050 0.000 2.470 394 Y HA 0.094 4.644 4.550 -0.000 0.000 0.302 394 Y C 0.339 176.220 175.900 -0.033 0.000 1.194 394 Y CA 0.031 58.130 58.100 -0.001 0.000 1.271 394 Y CB 0.015 38.524 38.460 0.082 0.000 1.092 394 Y HN -0.081 nan 8.280 nan 0.000 0.513 395 T N 1.051 115.583 114.554 -0.036 0.000 2.926 395 T HA 0.257 4.607 4.350 -0.000 0.000 0.307 395 T C 0.488 175.142 174.700 -0.077 0.000 1.059 395 T CA 0.135 62.174 62.100 -0.101 0.000 1.122 395 T CB 0.524 69.192 68.868 -0.335 0.000 0.972 395 T HN 0.299 nan 8.240 nan 0.000 0.545 396 T N 1.231 115.754 114.554 -0.052 0.000 2.906 396 T HA 0.591 4.940 4.350 -0.000 0.000 0.295 396 T C -3.077 171.592 174.700 -0.052 0.000 1.061 396 T CA -2.352 59.727 62.100 -0.034 0.000 1.000 396 T CB 1.479 70.358 68.868 0.017 0.000 1.103 396 T HN 0.147 nan 8.240 nan 0.000 0.486 397 P HA 0.219 nan 4.420 nan 0.000 0.266 397 P C -0.603 176.689 177.300 -0.014 0.000 1.195 397 P CA -0.328 62.720 63.100 -0.086 0.000 0.768 397 P CB 0.308 31.870 31.700 -0.231 0.000 0.838 398 L N 2.303 123.531 121.223 0.009 0.000 2.305 398 L HA 0.260 4.599 4.340 -0.000 0.000 0.281 398 L C 0.739 177.600 176.870 -0.014 0.000 1.085 398 L CA -0.046 54.827 54.840 0.054 0.000 0.813 398 L CB 0.519 42.688 42.059 0.183 0.000 1.157 398 L HN 0.270 nan 8.230 nan 0.000 0.436 399 T N 3.779 118.350 114.554 0.029 0.000 2.733 399 T HA 0.299 4.649 4.350 -0.000 0.000 0.294 399 T C 0.103 174.809 174.700 0.010 0.000 0.956 399 T CA -0.628 61.479 62.100 0.012 0.000 0.987 399 T CB 0.266 69.143 68.868 0.014 0.000 0.920 399 T HN 0.433 nan 8.240 nan 0.000 0.470 400 R N 2.111 122.543 120.500 -0.113 0.000 2.442 400 R HA 0.434 4.774 4.340 -0.000 0.000 0.291 400 R C 1.393 177.853 176.300 0.266 0.000 1.069 400 R CA 0.103 56.152 56.100 -0.084 0.000 1.022 400 R CB 0.152 30.176 30.300 -0.459 0.000 0.976 400 R HN 0.952 nan 8.270 nan 0.000 0.443 401 G N 1.145 110.108 108.800 0.272 0.000 2.225 401 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.254 401 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.254 401 G C 0.536 175.512 174.900 0.127 0.000 0.988 401 G CA 0.334 45.603 45.100 0.282 0.000 0.625 401 G HN 0.449 nan 8.290 nan 0.000 0.527 402 V N 0.330 120.303 119.914 0.099 0.000 2.840 402 V HA 0.149 4.269 4.120 -0.000 0.000 0.234 402 V C 2.129 178.227 176.094 0.006 0.000 1.159 402 V CA 1.729 64.050 62.300 0.035 0.000 1.194 402 V CB -0.179 31.663 31.823 0.032 0.000 0.971 402 V HN 0.251 nan 8.190 nan 0.000 0.494 403 D N -0.531 119.887 120.400 0.030 0.000 2.234 403 D HA 0.038 4.677 4.640 -0.000 0.000 0.205 403 D C 0.438 176.741 176.300 0.005 0.000 0.962 403 D CA 0.925 54.937 54.000 0.020 0.000 0.855 403 D CB 0.320 41.153 40.800 0.055 0.000 0.951 403 D HN 0.384 nan 8.370 nan 0.000 0.500 404 c N -0.134 118.474 118.600 0.014 0.000 3.173 404 c HA 0.345 4.914 4.570 -0.000 0.000 0.310 404 c C -2.425 171.556 174.090 -0.182 0.000 1.306 404 c CA -1.605 54.614 56.329 -0.183 0.000 1.426 404 c CB 1.908 44.354 42.510 -0.106 0.000 1.800 404 c HN -0.011 nan 8.230 nan 0.000 0.470 405 P HA -0.119 nan 4.420 nan 0.000 0.266 405 P C 0.131 177.447 177.300 0.028 0.000 1.162 405 P CA 0.722 63.691 63.100 -0.217 0.000 0.758 405 P CB 0.214 31.680 31.700 -0.391 0.000 0.774 406 Y N 3.384 123.705 120.300 0.035 0.000 2.224 406 Y HA -0.117 4.433 4.550 -0.000 0.000 0.289 406 Y C 1.629 177.646 175.900 0.195 0.000 1.146 406 Y CA 1.652 59.834 58.100 0.136 0.000 1.182 406 Y CB -0.173 38.346 38.460 0.099 0.000 0.983 406 Y HN 0.249 nan 8.280 nan 0.000 0.524 407 L N 0.588 121.934 121.223 0.205 0.000 2.653 407 L HA 0.264 4.604 4.340 -0.000 0.000 0.232 407 L C 0.801 177.808 176.870 0.229 0.000 1.169 407 L CA -0.229 54.733 54.840 0.204 0.000 0.951 407 L CB -0.840 41.343 42.059 0.206 0.000 1.181 407 L HN 0.176 nan 8.230 nan 0.000 0.460 408 A N 0.049 122.920 122.820 0.084 0.000 2.332 408 A HA 0.420 4.740 4.320 -0.000 0.000 0.258 408 A C 0.596 178.111 177.584 -0.115 0.000 1.087 408 A CA -0.189 51.850 52.037 0.003 0.000 0.802 408 A CB 0.339 19.132 19.000 -0.346 0.000 1.042 408 A HN 0.301 nan 8.150 nan 0.000 0.489 409 T N -0.726 113.846 114.554 0.030 0.000 2.856 409 T HA 0.590 4.940 4.350 -0.000 0.000 0.292 409 T C -0.816 173.800 174.700 -0.141 0.000 0.980 409 T CA -0.023 62.102 62.100 0.041 0.000 1.091 409 T CB 0.200 69.178 68.868 0.183 0.000 0.936 409 T HN 0.362 nan 8.240 nan 0.000 0.503 410 Y N 1.408 121.788 120.300 0.135 0.000 2.409 410 Y HA 0.600 5.150 4.550 -0.000 0.000 0.343 410 Y C -0.189 175.809 175.900 0.164 0.000 0.973 410 Y CA -1.068 57.112 58.100 0.133 0.000 1.064 410 Y CB 2.231 40.726 38.460 0.059 0.000 1.207 410 Y HN 0.585 nan 8.280 nan 0.000 0.452 411 V N 2.541 122.688 119.914 0.389 0.000 2.680 411 V HA 0.379 4.498 4.120 -0.000 0.000 0.309 411 V C -0.596 175.746 176.094 0.414 0.000 1.052 411 V CA -1.095 61.437 62.300 0.386 0.000 0.908 411 V CB 1.891 33.993 31.823 0.466 0.000 1.001 411 V HN 0.649 nan 8.190 nan 0.000 0.431 412 D N 1.064 121.640 120.400 0.292 0.000 2.383 412 D HA 0.409 5.048 4.640 -0.000 0.000 0.248 412 D C -0.913 175.563 176.300 0.294 0.000 1.170 412 D CA 0.106 54.237 54.000 0.218 0.000 0.977 412 D CB 0.945 41.819 40.800 0.124 0.000 1.120 412 D HN 0.594 nan 8.370 nan 0.000 0.481 413 W N 0.662 121.941 121.300 -0.035 0.000 2.998 413 W HA 0.296 4.956 4.660 -0.000 0.000 0.335 413 W C -1.192 175.278 176.519 -0.081 0.000 1.110 413 W CA -0.475 56.849 57.345 -0.034 0.000 1.230 413 W CB 0.898 30.392 29.460 0.056 0.000 1.405 413 W HN 0.279 nan 8.180 nan 0.000 0.493 414 H N 5.766 124.601 119.070 -0.391 0.000 2.529 414 H HA 0.637 5.193 4.556 -0.000 0.000 0.348 414 H C -0.681 174.125 175.328 -0.871 0.000 1.152 414 H CA -0.653 55.117 56.048 -0.463 0.000 1.202 414 H CB 1.488 31.068 29.762 -0.303 0.000 1.562 414 H HN 0.426 nan 8.280 nan 0.000 0.515 415 F N 0.157 119.723 119.950 -0.640 0.000 2.662 415 F HA 0.584 5.111 4.527 -0.000 0.000 0.312 415 F C -1.888 173.715 175.800 -0.329 0.000 1.113 415 F CA -1.291 56.309 58.000 -0.668 0.000 0.951 415 F CB 1.668 40.169 39.000 -0.832 0.000 1.344 415 F HN 0.338 nan 8.300 nan 0.000 0.462 416 L N 3.625 124.734 121.223 -0.189 0.000 2.492 416 L HA 0.652 4.991 4.340 -0.000 0.000 0.258 416 L C -1.999 174.851 176.870 -0.033 0.000 1.028 416 L CA -0.177 54.546 54.840 -0.195 0.000 0.900 416 L CB 1.078 43.027 42.059 -0.183 0.000 1.191 416 L HN 0.708 nan 8.230 nan 0.000 0.459 417 L N 3.435 124.709 121.223 0.085 0.000 2.436 417 L HA 0.511 4.851 4.340 -0.000 0.000 0.268 417 L C 0.297 177.144 176.870 -0.038 0.000 0.974 417 L CA -0.736 54.071 54.840 -0.054 0.000 0.826 417 L CB 1.965 43.985 42.059 -0.065 0.000 1.291 417 L HN 0.442 nan 8.230 nan 0.000 0.406 418 E N 0.580 120.708 120.200 -0.119 0.000 2.539 418 E HA -0.244 4.106 4.350 -0.000 0.000 0.253 418 E C -0.064 176.567 176.600 0.052 0.000 1.145 418 E CA 1.038 57.463 56.400 0.041 0.000 0.738 418 E CB -0.799 28.985 29.700 0.139 0.000 1.308 418 E HN 0.814 nan 8.360 nan 0.000 0.409 419 S N -2.185 113.517 115.700 0.004 0.000 2.880 419 S HA 0.477 4.947 4.470 -0.000 0.000 0.308 419 S C 0.416 175.000 174.600 -0.027 0.000 1.195 419 S CA -0.851 57.346 58.200 -0.005 0.000 0.866 419 S CB 1.900 65.079 63.200 -0.034 0.000 1.254 419 S HN 0.064 nan 8.310 nan 0.000 0.571 420 Q N -0.620 119.159 119.800 -0.035 0.000 2.245 420 Q HA 0.423 4.763 4.340 -0.000 0.000 0.250 420 Q C 0.370 176.328 176.000 -0.070 0.000 0.830 420 Q CA 0.205 55.984 55.803 -0.039 0.000 0.950 420 Q CB 1.241 29.973 28.738 -0.010 0.000 1.124 420 Q HN 0.825 nan 8.270 nan 0.000 0.502 421 A N 2.752 125.516 122.820 -0.092 0.000 2.304 421 A HA 0.525 4.845 4.320 -0.000 0.000 0.301 421 A C -2.433 175.019 177.584 -0.219 0.000 1.132 421 A CA -1.444 50.514 52.037 -0.132 0.000 0.819 421 A CB 0.143 19.074 19.000 -0.114 0.000 1.094 421 A HN -0.109 nan 8.150 nan 0.000 0.492 422 P HA 0.339 nan 4.420 nan 0.000 0.281 422 P C -0.757 176.256 177.300 -0.479 0.000 1.252 422 P CA -0.078 62.786 63.100 -0.394 0.000 0.778 422 P CB 0.913 32.422 31.700 -0.318 0.000 0.895 423 K N 1.113 121.009 120.400 -0.839 0.000 2.210 423 K HA 0.704 5.024 4.320 -0.000 0.000 0.236 423 K C -0.093 176.172 176.600 -0.559 0.000 1.016 423 K CA -0.593 55.268 56.287 -0.710 0.000 0.913 423 K CB 1.067 33.166 32.500 -0.668 0.000 1.141 423 K HN 0.293 nan 8.250 nan 0.000 0.462 424 T N 0.888 115.392 114.554 -0.084 0.000 2.921 424 T HA 0.444 4.794 4.350 -0.000 0.000 0.297 424 T C -0.875 173.989 174.700 0.273 0.000 1.013 424 T CA -0.616 61.596 62.100 0.186 0.000 0.990 424 T CB 0.659 69.664 68.868 0.228 0.000 1.023 424 T HN 0.318 nan 8.240 nan 0.000 0.447 425 I N 3.564 124.334 120.570 0.334 0.000 2.330 425 I HA 0.356 4.526 4.170 -0.000 0.000 0.286 425 I C 0.607 176.805 176.117 0.136 0.000 1.025 425 I CA -0.649 60.786 61.300 0.225 0.000 1.197 425 I CB 0.785 38.938 38.000 0.255 0.000 1.358 425 I HN 0.298 nan 8.210 nan 0.000 0.467 426 R N 5.456 125.986 120.500 0.049 0.000 2.438 426 R HA 0.139 4.478 4.340 -0.000 0.000 0.287 426 R C -0.357 175.940 176.300 -0.006 0.000 1.077 426 R CA -0.289 55.827 56.100 0.026 0.000 1.034 426 R CB 0.454 30.738 30.300 -0.026 0.000 0.993 426 R HN 0.563 nan 8.270 nan 0.000 0.459 427 D N 1.140 121.576 120.400 0.060 0.000 2.800 427 D HA -0.191 4.449 4.640 -0.000 0.000 0.232 427 D C 0.623 176.982 176.300 0.098 0.000 1.137 427 D CA 1.192 55.246 54.000 0.090 0.000 0.718 427 D CB -1.144 39.602 40.800 -0.089 0.000 1.084 427 D HN 0.741 nan 8.370 nan 0.000 0.432 428 A N -1.037 121.823 122.820 0.065 0.000 1.968 428 A HA 0.184 4.503 4.320 -0.000 0.000 0.217 428 A C 0.759 178.162 177.584 -0.302 0.000 1.169 428 A CA 0.787 52.727 52.037 -0.163 0.000 0.638 428 A CB 0.151 18.980 19.000 -0.284 0.000 0.812 428 A HN 0.221 nan 8.150 nan 0.000 0.446 429 F N -1.377 118.675 119.950 0.170 0.000 2.538 429 F HA 0.538 5.065 4.527 -0.000 0.000 0.325 429 F C 0.283 176.166 175.800 0.139 0.000 1.066 429 F CA -0.946 57.138 58.000 0.139 0.000 0.946 429 F CB 1.721 40.823 39.000 0.170 0.000 1.199 429 F HN 0.237 nan 8.300 nan 0.000 0.473 430 c N 0.711 119.462 118.600 0.252 0.000 2.698 430 c HA 0.956 5.526 4.570 -0.000 0.000 0.309 430 c C -1.243 172.863 174.090 0.027 0.000 1.186 430 c CA -0.929 55.417 56.329 0.029 0.000 1.474 430 c CB 0.737 43.172 42.510 -0.125 0.000 2.020 430 c HN 0.654 nan 8.230 nan 0.000 0.474 431 V N 3.568 123.456 119.914 -0.045 0.000 2.588 431 V HA 0.897 5.017 4.120 -0.000 0.000 0.304 431 V C -0.379 175.685 176.094 -0.050 0.000 1.042 431 V CA -0.188 62.004 62.300 -0.180 0.000 0.877 431 V CB 1.287 32.907 31.823 -0.338 0.000 0.996 431 V HN 1.093 nan 8.190 nan 0.000 0.425 432 F N 0.605 120.338 119.950 -0.362 0.000 2.719 432 F HA 0.722 5.249 4.527 -0.000 0.000 0.309 432 F C -0.865 174.861 175.800 -0.124 0.000 1.138 432 F CA -0.996 56.934 58.000 -0.116 0.000 0.943 432 F CB 1.588 40.620 39.000 0.054 0.000 1.304 432 F HN 0.395 nan 8.300 nan 0.000 0.445 433 E N 1.170 121.577 120.200 0.345 0.000 2.191 433 E HA 0.418 4.768 4.350 -0.000 0.000 0.278 433 E C -1.469 175.400 176.600 0.450 0.000 0.972 433 E CA -0.861 55.711 56.400 0.287 0.000 0.804 433 E CB 1.823 31.796 29.700 0.455 0.000 1.110 433 E HN 0.608 nan 8.360 nan 0.000 0.394 434 Q N 3.021 122.983 119.800 0.270 0.000 2.310 434 Q HA 0.224 4.564 4.340 -0.000 0.000 0.270 434 Q C -1.448 174.657 176.000 0.175 0.000 1.025 434 Q CA -0.581 55.392 55.803 0.283 0.000 0.772 434 Q CB 1.180 30.108 28.738 0.317 0.000 1.253 434 Q HN 0.487 nan 8.270 nan 0.000 0.450 435 N N 2.550 121.339 118.700 0.149 0.000 2.470 435 N HA 0.030 4.770 4.740 -0.000 0.000 0.268 435 N C 0.484 176.056 175.510 0.104 0.000 1.136 435 N CA -0.045 53.074 53.050 0.114 0.000 0.961 435 N CB 0.749 39.289 38.487 0.087 0.000 1.067 435 N HN 0.602 nan 8.380 nan 0.000 0.468 436 Q N 2.883 122.744 119.800 0.103 0.000 2.331 436 Q HA 0.074 4.414 4.340 -0.000 0.000 0.203 436 Q C 1.382 177.431 176.000 0.081 0.000 0.944 436 Q CA 0.989 56.850 55.803 0.097 0.000 0.892 436 Q CB 0.368 29.172 28.738 0.110 0.000 0.983 436 Q HN 1.004 nan 8.270 nan 0.000 0.482 437 G N 0.845 109.691 108.800 0.077 0.000 2.383 437 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.229 437 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.229 437 G C 0.315 175.255 174.900 0.067 0.000 1.089 437 G CA 0.115 45.254 45.100 0.065 0.000 0.640 437 G HN 0.287 nan 8.290 nan 0.000 0.510 438 L N 3.415 124.681 121.223 0.071 0.000 2.483 438 L HA 0.283 4.623 4.340 -0.000 0.000 0.275 438 L C -1.190 175.730 176.870 0.083 0.000 1.220 438 L CA -0.968 53.915 54.840 0.071 0.000 0.833 438 L CB 0.523 42.624 42.059 0.070 0.000 1.102 438 L HN 0.204 nan 8.230 nan 0.000 0.490 439 P HA 0.028 nan 4.420 nan 0.000 0.284 439 P C 0.294 177.640 177.300 0.076 0.000 1.253 439 P CA -0.529 62.626 63.100 0.091 0.000 0.800 439 P CB 1.424 33.185 31.700 0.101 0.000 0.961 440 L N 2.822 124.093 121.223 0.081 0.000 2.093 440 L HA 0.005 4.345 4.340 -0.000 0.000 0.208 440 L C 1.102 177.997 176.870 0.041 0.000 1.085 440 L CA 1.666 56.548 54.840 0.070 0.000 0.755 440 L CB -0.348 41.763 42.059 0.087 0.000 0.904 440 L HN 0.597 nan 8.230 nan 0.000 0.435 441 R N -0.793 119.730 120.500 0.040 0.000 2.690 441 R HA 0.521 4.861 4.340 -0.000 0.000 0.269 441 R C -1.290 175.013 176.300 0.005 0.000 1.037 441 R CA -0.912 55.200 56.100 0.018 0.000 0.877 441 R CB 0.939 31.243 30.300 0.007 0.000 1.255 441 R HN 0.055 nan 8.270 nan 0.000 0.467 442 R N 2.166 122.662 120.500 -0.006 0.000 2.664 442 R HA 0.266 4.606 4.340 -0.000 0.000 0.260 442 R C -2.242 174.068 176.300 0.016 0.000 1.062 442 R CA -0.638 55.431 56.100 -0.053 0.000 0.902 442 R CB 1.845 32.180 30.300 0.058 0.000 1.258 442 R HN 0.909 nan 8.270 nan 0.000 0.465 443 H N 2.055 120.988 119.070 -0.228 0.000 2.856 443 H HA 0.376 4.932 4.556 -0.000 0.000 0.355 443 H C -1.717 173.516 175.328 -0.158 0.000 1.079 443 H CA -0.404 55.565 56.048 -0.131 0.000 1.240 443 H CB 1.152 30.863 29.762 -0.083 0.000 1.701 443 H HN 0.542 nan 8.280 nan 0.000 0.527 444 H N 3.656 122.369 119.070 -0.595 0.000 2.638 444 H HA 0.363 4.919 4.556 -0.000 0.000 0.317 444 H C -1.043 173.823 175.328 -0.770 0.000 1.006 444 H CA -0.187 55.592 56.048 -0.448 0.000 1.222 444 H CB 1.286 30.997 29.762 -0.085 0.000 1.419 444 H HN 0.508 nan 8.280 nan 0.000 0.489 445 S N 4.089 119.201 115.700 -0.981 0.000 2.461 445 S HA 0.164 4.634 4.470 -0.000 0.000 0.322 445 S C 0.178 174.579 174.600 -0.332 0.000 1.063 445 S CA -0.708 57.063 58.200 -0.714 0.000 1.120 445 S CB 0.348 62.866 63.200 -1.137 0.000 0.968 445 S HN 0.661 nan 8.310 nan 0.000 0.467 446 D N 3.392 123.753 120.400 -0.065 0.000 2.340 446 D HA 0.132 4.772 4.640 -0.000 0.000 0.217 446 D C -0.245 176.006 176.300 -0.082 0.000 1.081 446 D CA 0.078 54.141 54.000 0.104 0.000 0.842 446 D CB 0.377 41.263 40.800 0.143 0.000 0.934 446 D HN 0.369 nan 8.370 nan 0.000 0.511 447 L N 0.420 121.554 121.223 -0.149 0.000 2.305 447 L HA 0.180 4.520 4.340 -0.000 0.000 0.284 447 L C 0.003 176.776 176.870 -0.161 0.000 1.013 447 L CA -0.371 54.321 54.840 -0.246 0.000 0.819 447 L CB 0.696 42.620 42.059 -0.226 0.000 1.227 447 L HN -0.076 nan 8.230 nan 0.000 0.417 448 Y N 1.149 121.401 120.300 -0.080 0.000 2.843 448 Y HA -0.340 4.210 4.550 -0.000 0.000 0.492 448 Y C 0.937 176.790 175.900 -0.079 0.000 1.055 448 Y CA 1.396 59.461 58.100 -0.059 0.000 2.997 448 Y CB -1.796 36.663 38.460 -0.002 0.000 0.837 448 Y HN 0.727 nan 8.280 nan 0.000 0.553 449 S N 0.071 115.841 115.700 0.116 0.000 2.547 449 S HA 0.562 5.032 4.470 -0.000 0.000 0.281 449 S C -1.172 173.513 174.600 0.142 0.000 1.118 449 S CA -0.739 57.536 58.200 0.126 0.000 0.947 449 S CB 1.056 64.401 63.200 0.243 0.000 1.053 449 S HN 0.270 nan 8.310 nan 0.000 0.482 450 H N 4.627 123.818 119.070 0.201 0.000 2.741 450 H HA 0.416 4.972 4.556 -0.000 0.000 0.282 450 H C -0.730 174.670 175.328 0.120 0.000 1.122 450 H CA 0.033 56.126 56.048 0.074 0.000 1.293 450 H CB -0.180 29.609 29.762 0.045 0.000 1.415 450 H HN 0.711 nan 8.280 nan 0.000 0.472 451 Y N 1.263 121.547 120.300 -0.027 0.000 2.655 451 Y HA 0.580 5.130 4.550 -0.000 0.000 0.336 451 Y C -1.886 173.844 175.900 -0.283 0.000 1.154 451 Y CA -1.632 56.364 58.100 -0.173 0.000 1.055 451 Y CB 1.770 40.151 38.460 -0.131 0.000 1.295 451 Y HN 0.223 nan 8.280 nan 0.000 0.465 452 F N 0.806 120.423 119.950 -0.554 0.000 2.574 452 F HA 0.840 5.367 4.527 -0.000 0.000 0.313 452 F C -0.844 174.673 175.800 -0.472 0.000 1.130 452 F CA -0.855 56.768 58.000 -0.627 0.000 0.936 452 F CB 2.406 40.884 39.000 -0.871 0.000 1.219 452 F HN 0.924 nan 8.300 nan 0.000 0.445 453 G N 2.948 111.095 108.800 -1.087 0.000 2.704 453 G HA2 0.589 4.549 3.960 -0.000 0.000 0.280 453 G HA3 0.589 4.549 3.960 -0.000 0.000 0.280 453 G C -1.098 173.344 174.900 -0.765 0.000 1.499 453 G CA -0.222 44.507 45.100 -0.618 0.000 1.146 453 G HN 1.147 nan 8.290 nan 0.000 0.558 454 G N -0.279 108.179 108.800 -0.570 0.000 2.782 454 G HA2 0.785 4.745 3.960 -0.000 0.000 0.304 454 G HA3 0.785 4.745 3.960 -0.000 0.000 0.304 454 G C -2.101 172.797 174.900 -0.002 0.000 1.315 454 G CA -0.828 44.129 45.100 -0.237 0.000 0.791 454 G HN 1.469 nan 8.290 nan 0.000 0.519 455 L N -0.219 121.040 121.223 0.060 0.000 2.830 455 L HA 0.724 5.064 4.340 -0.000 0.000 0.259 455 L C 0.011 176.941 176.870 0.100 0.000 0.943 455 L CA -0.406 54.481 54.840 0.080 0.000 0.997 455 L CB 1.012 43.101 42.059 0.050 0.000 1.427 455 L HN 1.319 nan 8.230 nan 0.000 0.456 456 A N 3.571 126.459 122.820 0.114 0.000 2.488 456 A HA 0.350 4.670 4.320 -0.000 0.000 0.249 456 A C 0.244 177.894 177.584 0.109 0.000 1.083 456 A CA -0.051 52.052 52.037 0.110 0.000 0.768 456 A CB 0.073 19.137 19.000 0.107 0.000 1.017 456 A HN 0.770 nan 8.150 nan 0.000 0.496 457 E N 2.023 122.290 120.200 0.113 0.000 2.265 457 E HA 0.240 4.590 4.350 -0.000 0.000 0.272 457 E C -0.411 176.266 176.600 0.129 0.000 1.067 457 E CA 0.090 56.569 56.400 0.132 0.000 0.900 457 E CB 0.396 30.185 29.700 0.149 0.000 1.017 457 E HN 0.626 nan 8.360 nan 0.000 0.431 458 T N 2.820 117.455 114.554 0.134 0.000 2.925 458 T HA 0.501 4.851 4.350 -0.000 0.000 0.285 458 T C -0.956 173.814 174.700 0.116 0.000 1.021 458 T CA -0.562 61.615 62.100 0.129 0.000 1.042 458 T CB 1.658 70.609 68.868 0.139 0.000 1.037 458 T HN 0.254 nan 8.240 nan 0.000 0.481 459 V N 2.317 122.269 119.914 0.064 0.000 2.971 459 V HA 0.603 4.722 4.120 -0.000 0.000 0.309 459 V C -1.250 174.785 176.094 -0.099 0.000 1.130 459 V CA -0.857 61.412 62.300 -0.051 0.000 0.964 459 V CB 2.359 34.097 31.823 -0.141 0.000 1.029 459 V HN 0.696 nan 8.190 nan 0.000 0.427 460 L N 5.316 126.449 121.223 -0.151 0.000 2.325 460 L HA 0.881 5.221 4.340 -0.000 0.000 0.278 460 L C -0.836 175.816 176.870 -0.364 0.000 1.023 460 L CA 0.080 54.780 54.840 -0.233 0.000 0.811 460 L CB 1.839 43.829 42.059 -0.115 0.000 1.249 460 L HN 0.453 nan 8.230 nan 0.000 0.431 461 V N 4.425 123.966 119.914 -0.622 0.000 2.925 461 V HA 0.702 4.822 4.120 -0.000 0.000 0.311 461 V C -1.008 174.735 176.094 -0.585 0.000 1.104 461 V CA -0.762 61.099 62.300 -0.731 0.000 0.954 461 V CB 2.158 33.257 31.823 -1.206 0.000 1.022 461 V HN 0.507 nan 8.190 nan 0.000 0.427 462 V N 3.245 122.951 119.914 -0.347 0.000 2.686 462 V HA 0.705 4.825 4.120 -0.000 0.000 0.306 462 V C -0.445 175.617 176.094 -0.053 0.000 1.065 462 V CA -0.703 61.486 62.300 -0.186 0.000 0.894 462 V CB 2.042 33.776 31.823 -0.147 0.000 1.004 462 V HN 0.935 nan 8.190 nan 0.000 0.424 463 R N 2.327 122.875 120.500 0.080 0.000 2.604 463 R HA 0.772 5.112 4.340 -0.000 0.000 0.281 463 R C -1.024 175.392 176.300 0.194 0.000 1.020 463 R CA -0.143 56.051 56.100 0.156 0.000 0.899 463 R CB 2.227 32.643 30.300 0.193 0.000 1.205 463 R HN 0.904 nan 8.270 nan 0.000 0.450 464 S N 3.707 119.525 115.700 0.197 0.000 2.599 464 S HA 0.625 5.095 4.470 -0.000 0.000 0.287 464 S C -0.703 173.996 174.600 0.165 0.000 1.105 464 S CA -0.982 57.277 58.200 0.098 0.000 0.899 464 S CB 2.139 65.354 63.200 0.025 0.000 1.100 464 S HN 0.566 nan 8.310 nan 0.000 0.482 465 M N 1.987 121.635 119.600 0.080 0.000 2.263 465 M HA 0.409 4.889 4.480 -0.000 0.000 0.295 465 M C -1.257 175.106 176.300 0.105 0.000 1.028 465 M CA -0.232 55.111 55.300 0.073 0.000 0.921 465 M CB 2.317 34.927 32.600 0.018 0.000 1.601 465 M HN 0.713 nan 8.290 nan 0.000 0.440 466 S N 1.591 117.416 115.700 0.209 0.000 2.438 466 S HA 0.418 4.888 4.470 -0.000 0.000 0.316 466 S C -0.353 174.343 174.600 0.159 0.000 1.084 466 S CA -0.733 57.613 58.200 0.243 0.000 1.107 466 S CB 0.948 64.420 63.200 0.453 0.000 0.981 466 S HN 0.619 nan 8.310 nan 0.000 0.466 467 T N 4.303 118.931 114.554 0.124 0.000 2.891 467 T HA 0.287 4.637 4.350 -0.000 0.000 0.315 467 T C -0.044 174.717 174.700 0.101 0.000 1.054 467 T CA -0.329 61.811 62.100 0.067 0.000 0.958 467 T CB -0.467 68.454 68.868 0.089 0.000 1.008 467 T HN 0.378 nan 8.240 nan 0.000 0.521 468 L N 5.836 127.011 121.223 -0.079 0.000 2.328 468 L HA 0.341 4.681 4.340 -0.000 0.000 0.280 468 L C 0.998 177.652 176.870 -0.361 0.000 1.111 468 L CA -0.047 54.617 54.840 -0.294 0.000 0.909 468 L CB -0.389 41.451 42.059 -0.365 0.000 1.277 468 L HN 0.689 nan 8.230 nan 0.000 0.433 469 L N 0.725 121.844 121.223 -0.173 0.000 4.244 469 L HA -0.431 3.909 4.340 -0.000 0.000 0.053 469 L C 0.667 177.361 176.870 -0.293 0.000 3.875 469 L CA 1.784 56.574 54.840 -0.083 0.000 1.095 469 L CB -1.175 40.771 42.059 -0.188 0.000 3.276 469 L HN 0.841 nan 8.230 nan 0.000 0.889 473 Y N 0.646 120.865 120.300 -0.136 0.000 2.377 473 Y HA 0.403 4.953 4.550 -0.000 0.000 0.330 473 Y C 0.602 176.179 175.900 -0.537 0.000 1.108 473 Y CA -0.572 57.321 58.100 -0.344 0.000 1.308 473 Y CB 0.772 38.951 38.460 -0.468 0.000 1.216 473 Y HN 0.087 nan 8.280 nan 0.000 0.518 474 V N 3.993 123.726 119.914 -0.301 0.000 2.370 474 V HA 0.241 4.361 4.120 -0.000 0.000 0.279 474 V C -0.893 175.041 176.094 -0.267 0.000 1.029 474 V CA -1.273 60.889 62.300 -0.229 0.000 0.870 474 V CB 0.303 32.119 31.823 -0.012 0.000 0.984 474 V HN 0.692 nan 8.190 nan 0.000 0.451 475 W N 2.704 124.125 121.300 0.202 0.000 2.417 475 W HA 0.643 5.303 4.660 -0.000 0.000 0.315 475 W C -0.369 176.191 176.519 0.068 0.000 1.045 475 W CA -0.462 56.962 57.345 0.133 0.000 1.221 475 W CB 1.344 30.838 29.460 0.057 0.000 1.309 475 W HN 0.399 nan 8.180 nan 0.000 0.453 476 D N 1.543 122.077 120.400 0.223 0.000 2.619 476 D HA 0.480 5.120 4.640 -0.000 0.000 0.241 476 D C -0.785 175.409 176.300 -0.177 0.000 1.087 476 D CA -0.521 53.495 54.000 0.027 0.000 0.851 476 D CB 2.256 43.083 40.800 0.045 0.000 1.474 476 D HN 0.047 nan 8.370 nan 0.000 0.478 477 T N 0.771 115.135 114.554 -0.316 0.000 2.864 477 T HA 0.481 4.831 4.350 -0.000 0.000 0.299 477 T C -0.645 173.567 174.700 -0.814 0.000 1.011 477 T CA -0.662 61.066 62.100 -0.619 0.000 0.975 477 T CB 1.117 69.624 68.868 -0.602 0.000 0.962 477 T HN 0.189 nan 8.240 nan 0.000 0.448 478 V N 3.182 122.564 119.914 -0.887 0.000 2.604 478 V HA 0.809 4.929 4.120 -0.000 0.000 0.305 478 V C -1.723 173.789 176.094 -0.970 0.000 1.043 478 V CA -1.009 60.813 62.300 -0.797 0.000 0.888 478 V CB 1.483 33.004 31.823 -0.504 0.000 0.995 478 V HN 0.825 nan 8.190 nan 0.000 0.429 479 F N 5.723 125.244 119.950 -0.715 0.000 2.443 479 F HA 0.549 5.076 4.527 -0.000 0.000 0.369 479 F C 0.692 176.250 175.800 -0.402 0.000 1.090 479 F CA -0.604 56.876 58.000 -0.867 0.000 1.129 479 F CB 0.737 38.907 39.000 -1.384 0.000 1.367 479 F HN 0.589 nan 8.300 nan 0.000 0.465 480 H N 3.952 123.129 119.070 0.178 0.000 2.707 480 H HA 0.088 4.643 4.556 -0.000 0.000 0.359 480 H C -1.609 174.073 175.328 0.589 0.000 1.113 480 H CA -1.259 54.983 56.048 0.325 0.000 1.422 480 H CB 1.076 30.968 29.762 0.217 0.000 1.443 480 H HN 0.332 nan 8.280 nan 0.000 0.591 481 P HA -0.066 nan 4.420 nan 0.000 0.245 481 P C 0.965 178.460 177.300 0.326 0.000 1.212 481 P CA 0.576 63.954 63.100 0.463 0.000 0.774 481 P CB 0.188 32.069 31.700 0.301 0.000 0.999 482 S N -1.629 114.222 115.700 0.252 0.000 2.593 482 S HA 0.307 4.777 4.470 -0.000 0.000 0.217 482 S C 1.623 176.152 174.600 -0.118 0.000 0.966 482 S CA 0.583 58.821 58.200 0.063 0.000 0.914 482 S CB -0.950 62.284 63.200 0.056 0.000 0.776 482 S HN 0.274 nan 8.310 nan 0.000 0.523 483 G N 0.405 109.127 108.800 -0.131 0.000 2.176 483 G HA2 -0.039 3.921 3.960 -0.000 0.000 0.232 483 G HA3 -0.039 3.921 3.960 -0.000 0.000 0.232 483 G C 0.203 175.303 174.900 0.333 0.000 0.986 483 G CA -0.171 44.686 45.100 -0.405 0.000 0.643 483 G HN 1.194 nan 8.290 nan 0.000 0.522 484 A N -0.217 122.846 122.820 0.404 0.000 2.302 484 A HA 0.831 5.151 4.320 -0.000 0.000 0.285 484 A C 0.046 177.881 177.584 0.420 0.000 1.105 484 A CA -0.129 52.147 52.037 0.400 0.000 0.816 484 A CB 0.592 19.722 19.000 0.216 0.000 1.067 484 A HN 0.809 nan 8.150 nan 0.000 0.489 485 I N 0.858 121.575 120.570 0.246 0.000 2.436 485 I HA 0.329 4.499 4.170 -0.000 0.000 0.289 485 I C -0.060 175.969 176.117 -0.145 0.000 1.010 485 I CA -0.136 61.107 61.300 -0.096 0.000 1.098 485 I CB 1.919 39.777 38.000 -0.237 0.000 1.266 485 I HN 0.800 nan 8.210 nan 0.000 0.434 486 E N 6.285 126.284 120.200 -0.335 0.000 2.171 486 E HA 0.541 4.891 4.350 -0.000 0.000 0.271 486 E C -1.509 174.594 176.600 -0.827 0.000 0.916 486 E CA -0.780 55.212 56.400 -0.680 0.000 0.774 486 E CB 1.731 31.136 29.700 -0.492 0.000 1.128 486 E HN 0.367 nan 8.360 nan 0.000 0.403 487 I N 4.138 124.027 120.570 -1.134 0.000 2.404 487 I HA 0.401 4.571 4.170 -0.000 0.000 0.293 487 I C -0.346 175.211 176.117 -0.933 0.000 0.992 487 I CA -0.570 60.065 61.300 -1.109 0.000 1.149 487 I CB 1.364 38.400 38.000 -1.607 0.000 1.315 487 I HN 0.413 nan 8.210 nan 0.000 0.446 488 R N 5.102 125.290 120.500 -0.522 0.000 2.686 488 R HA 0.549 4.889 4.340 -0.000 0.000 0.283 488 R C -1.758 174.523 176.300 -0.032 0.000 0.978 488 R CA -0.802 55.089 56.100 -0.349 0.000 0.897 488 R CB 2.316 32.460 30.300 -0.260 0.000 1.192 488 R HN 0.413 nan 8.270 nan 0.000 0.457 489 F N 3.547 123.315 119.950 -0.303 0.000 2.617 489 F HA 0.471 4.998 4.527 -0.000 0.000 0.325 489 F C -1.927 173.675 175.800 -0.330 0.000 1.179 489 F CA -1.251 56.674 58.000 -0.125 0.000 0.965 489 F CB 0.713 39.866 39.000 0.254 0.000 1.232 489 F HN 0.400 nan 8.300 nan 0.000 0.461 490 Y N 3.808 124.024 120.300 -0.139 0.000 2.509 490 Y HA 0.807 5.356 4.550 -0.000 0.000 0.341 490 Y C -0.105 175.692 175.900 -0.172 0.000 1.038 490 Y CA -1.128 56.809 58.100 -0.273 0.000 1.089 490 Y CB 2.110 40.466 38.460 -0.174 0.000 1.241 490 Y HN 0.813 nan 8.280 nan 0.000 0.468 491 A N 1.851 124.662 122.820 -0.015 0.000 2.319 491 A HA 0.824 5.144 4.320 -0.000 0.000 0.310 491 A C -0.479 177.080 177.584 -0.042 0.000 1.152 491 A CA -0.384 51.665 52.037 0.020 0.000 0.783 491 A CB 0.554 19.550 19.000 -0.007 0.000 1.184 491 A HN 0.745 nan 8.150 nan 0.000 0.474 492 T N 0.150 114.651 114.554 -0.088 0.000 2.633 492 T HA 0.928 5.278 4.350 -0.000 0.000 0.262 492 T C 0.748 175.347 174.700 -0.169 0.000 0.920 492 T CA 0.017 62.044 62.100 -0.121 0.000 1.062 492 T CB 0.755 69.545 68.868 -0.129 0.000 1.390 492 T HN 2.437 nan 8.240 nan 0.000 0.549 493 G N -0.198 108.478 108.800 -0.207 0.000 2.568 493 G HA2 -0.116 3.843 3.960 -0.000 0.000 0.222 493 G HA3 -0.116 3.843 3.960 -0.000 0.000 0.222 493 G C -1.134 173.566 174.900 -0.334 0.000 1.321 493 G CA -0.648 44.296 45.100 -0.260 0.000 0.893 493 G HN 0.724 nan 8.290 nan 0.000 0.569 494 Y N 0.365 120.478 120.300 -0.312 0.000 2.307 494 Y HA 0.541 5.091 4.550 -0.000 0.000 0.324 494 Y C 1.563 177.260 175.900 -0.339 0.000 1.238 494 Y CA 0.087 57.990 58.100 -0.328 0.000 1.280 494 Y CB 0.795 38.978 38.460 -0.462 0.000 1.248 494 Y HN 0.668 nan 8.280 nan 0.000 0.508 495 I N -0.281 120.257 120.570 -0.053 0.000 2.662 495 I HA 0.386 4.556 4.170 -0.000 0.000 0.291 495 I C 0.257 176.285 176.117 -0.148 0.000 1.046 495 I CA -0.620 60.619 61.300 -0.102 0.000 1.361 495 I CB 1.197 39.169 38.000 -0.047 0.000 1.429 495 I HN 0.469 nan 8.210 nan 0.000 0.558 496 S N 3.951 119.552 115.700 -0.164 0.000 2.499 496 S HA 0.470 4.940 4.470 -0.000 0.000 0.275 496 S C -0.106 174.477 174.600 -0.029 0.000 1.257 496 S CA -0.229 57.889 58.200 -0.136 0.000 1.050 496 S CB 0.425 63.489 63.200 -0.227 0.000 0.937 496 S HN 0.964 nan 8.310 nan 0.000 0.490 497 S N 3.668 119.386 115.700 0.029 0.000 2.600 497 S HA 0.878 5.348 4.470 -0.000 0.000 0.300 497 S C -0.212 174.397 174.600 0.015 0.000 1.087 497 S CA -0.473 57.761 58.200 0.057 0.000 0.965 497 S CB 1.489 64.749 63.200 0.100 0.000 1.089 497 S HN 1.337 nan 8.310 nan 0.000 0.496 498 A N 1.623 124.416 122.820 -0.046 0.000 2.309 498 A HA 0.799 5.119 4.320 -0.000 0.000 0.317 498 A C -0.853 176.752 177.584 0.036 0.000 1.134 498 A CA -0.840 51.068 52.037 -0.214 0.000 0.866 498 A CB 0.526 19.428 19.000 -0.163 0.000 1.329 498 A HN 1.032 nan 8.150 nan 0.000 0.477 499 F N 0.350 120.296 119.950 -0.006 0.000 2.396 499 F HA 0.511 5.038 4.527 -0.000 0.000 0.343 499 F C -0.065 175.849 175.800 0.190 0.000 1.104 499 F CA -0.787 57.346 58.000 0.223 0.000 1.161 499 F CB 0.920 40.118 39.000 0.330 0.000 1.146 499 F HN 0.434 nan 8.300 nan 0.000 0.522 500 L N 7.598 128.563 121.223 -0.429 0.000 2.418 500 L HA 0.290 4.630 4.340 -0.000 0.000 0.274 500 L C -1.606 175.227 176.870 -0.062 0.000 1.135 500 L CA 0.473 55.173 54.840 -0.233 0.000 0.870 500 L CB -0.373 41.525 42.059 -0.268 0.000 1.154 500 L HN 0.599 nan 8.230 nan 0.000 0.462 501 F N 5.760 125.704 119.950 -0.011 0.000 2.787 501 F HA 0.571 5.098 4.527 -0.000 0.000 0.340 501 F C 0.538 176.384 175.800 0.076 0.000 1.232 501 F CA 0.550 58.594 58.000 0.073 0.000 1.051 501 F CB 1.069 40.186 39.000 0.195 0.000 1.330 501 F HN 0.807 nan 8.300 nan 0.000 0.522 502 G N 3.531 112.110 108.800 -0.369 0.000 2.588 502 G HA2 -0.224 3.735 3.960 -0.000 0.000 0.273 502 G HA3 -0.224 3.735 3.960 -0.000 0.000 0.273 502 G C 0.873 175.754 174.900 -0.032 0.000 1.211 502 G CA 0.045 45.004 45.100 -0.235 0.000 0.958 502 G HN 1.612 nan 8.290 nan 0.000 0.543 503 A N 0.856 123.728 122.820 0.087 0.000 2.247 503 A HA 0.485 4.805 4.320 -0.000 0.000 0.205 503 A C 1.345 179.014 177.584 0.141 0.000 1.261 503 A CA 1.981 54.087 52.037 0.114 0.000 0.853 503 A CB -1.007 18.108 19.000 0.191 0.000 0.793 503 A HN 1.429 nan 8.150 nan 0.000 0.487 504 T N -0.564 114.068 114.554 0.130 0.000 2.882 504 T HA 0.293 4.643 4.350 -0.000 0.000 0.330 504 T C 1.601 176.331 174.700 0.049 0.000 1.075 504 T CA 1.765 63.940 62.100 0.125 0.000 1.129 504 T CB 0.353 69.257 68.868 0.060 0.000 1.071 504 T HN 1.439 nan 8.240 nan 0.000 0.531 505 G N 2.125 110.948 108.800 0.038 0.000 2.349 505 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.213 505 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.213 505 G C 0.946 175.785 174.900 -0.101 0.000 1.044 505 G CA 0.473 45.559 45.100 -0.023 0.000 0.633 505 G HN 0.647 nan 8.290 nan 0.000 0.506 506 K N -0.335 119.926 120.400 -0.231 0.000 2.504 506 K HA 0.276 4.596 4.320 -0.000 0.000 0.195 506 K C 1.074 177.356 176.600 -0.530 0.000 1.036 506 K CA 1.000 57.011 56.287 -0.461 0.000 0.984 506 K CB -0.133 31.942 32.500 -0.708 0.000 0.788 506 K HN 0.639 nan 8.250 nan 0.000 0.488 507 Y N -1.644 118.666 120.300 0.017 0.000 2.610 507 Y HA 0.259 4.809 4.550 -0.000 0.000 0.254 507 Y C 0.565 176.482 175.900 0.029 0.000 1.110 507 Y CA -0.478 57.636 58.100 0.023 0.000 1.238 507 Y CB 2.028 40.505 38.460 0.028 0.000 1.322 507 Y HN 0.048 nan 8.280 nan 0.000 0.547 508 G N 0.263 109.142 108.800 0.131 0.000 2.362 508 G HA2 -0.003 3.957 3.960 -0.000 0.000 0.288 508 G HA3 -0.003 3.957 3.960 -0.000 0.000 0.288 508 G C -2.085 172.859 174.900 0.074 0.000 1.305 508 G CA -1.110 44.051 45.100 0.102 0.000 0.910 508 G HN -0.082 nan 8.290 nan 0.000 0.518 509 N N 0.463 119.207 118.700 0.074 0.000 2.321 509 N HA 0.440 5.180 4.740 -0.000 0.000 0.299 509 N C -0.243 175.297 175.510 0.050 0.000 1.048 509 N CA -0.553 52.533 53.050 0.059 0.000 0.836 509 N CB 2.152 40.686 38.487 0.078 0.000 1.269 509 N HN 0.759 nan 8.380 nan 0.000 0.486 510 Q N 0.950 120.767 119.800 0.028 0.000 2.330 510 Q HA 0.143 4.483 4.340 -0.000 0.000 0.279 510 Q C -0.168 175.848 176.000 0.027 0.000 1.024 510 Q CA 0.317 56.128 55.803 0.014 0.000 0.900 510 Q CB 0.736 29.466 28.738 -0.013 0.000 1.221 510 Q HN 0.423 nan 8.270 nan 0.000 0.396 511 V N 2.123 122.055 119.914 0.029 0.000 3.359 511 V HA 0.197 4.316 4.120 -0.000 0.000 0.270 511 V C -0.269 175.846 176.094 0.035 0.000 1.583 511 V CA 0.605 62.927 62.300 0.036 0.000 1.019 511 V CB 1.485 33.332 31.823 0.041 0.000 0.831 511 V HN 0.744 nan 8.190 nan 0.000 0.426 512 S N -0.663 115.060 115.700 0.039 0.000 2.727 512 S HA 0.382 4.852 4.470 -0.000 0.000 0.278 512 S C -1.659 172.971 174.600 0.050 0.000 1.186 512 S CA -0.720 57.515 58.200 0.057 0.000 0.836 512 S CB 1.550 64.791 63.200 0.069 0.000 1.186 512 S HN 0.361 nan 8.310 nan 0.000 0.499 513 E N 1.557 121.809 120.200 0.086 0.000 2.415 513 E HA 0.143 4.492 4.350 -0.000 0.000 0.263 513 E C -0.198 176.455 176.600 0.088 0.000 0.995 513 E CA 0.039 56.459 56.400 0.034 0.000 0.915 513 E CB -0.146 29.634 29.700 0.134 0.000 0.951 513 E HN 0.741 nan 8.360 nan 0.000 0.449 514 H N -0.508 118.539 119.070 -0.040 0.000 3.179 514 H HA -0.130 4.426 4.556 -0.000 0.000 0.250 514 H C -0.536 174.704 175.328 -0.148 0.000 1.142 514 H CA 1.467 57.406 56.048 -0.182 0.000 1.165 514 H CB -1.633 28.122 29.762 -0.011 0.000 1.253 514 H HN 0.444 nan 8.280 nan 0.000 0.325 515 T N 1.625 116.202 114.554 0.039 0.000 2.809 515 T HA 0.463 4.813 4.350 -0.000 0.000 0.284 515 T C 0.129 174.848 174.700 0.032 0.000 0.992 515 T CA -0.740 61.405 62.100 0.076 0.000 0.957 515 T CB 2.267 71.204 68.868 0.115 0.000 0.942 515 T HN 0.123 nan 8.240 nan 0.000 0.439 516 L N 3.318 124.562 121.223 0.036 0.000 2.289 516 L HA 0.752 5.092 4.340 -0.000 0.000 0.285 516 L C 0.435 177.339 176.870 0.056 0.000 1.049 516 L CA -0.231 54.634 54.840 0.041 0.000 0.804 516 L CB 0.782 42.868 42.059 0.044 0.000 1.195 516 L HN 0.755 nan 8.230 nan 0.000 0.428 517 G N 3.130 111.969 108.800 0.064 0.000 2.393 517 G HA2 0.417 4.377 3.960 -0.000 0.000 0.311 517 G HA3 0.417 4.377 3.960 -0.000 0.000 0.311 517 G C -0.233 174.725 174.900 0.098 0.000 1.067 517 G CA -0.222 44.920 45.100 0.071 0.000 1.000 517 G HN 0.775 nan 8.290 nan 0.000 0.422 518 T N 0.461 115.089 114.554 0.123 0.000 2.814 518 T HA 0.245 4.595 4.350 -0.000 0.000 0.297 518 T C 0.750 175.578 174.700 0.214 0.000 0.956 518 T CA -0.655 61.550 62.100 0.176 0.000 1.123 518 T CB 1.895 70.900 68.868 0.229 0.000 0.902 518 T HN 0.468 nan 8.240 nan 0.000 0.528 519 V N 5.689 125.694 119.914 0.152 0.000 2.928 519 V HA 0.229 4.349 4.120 -0.000 0.000 0.307 519 V C 0.071 176.170 176.094 0.008 0.000 1.105 519 V CA 0.514 62.849 62.300 0.058 0.000 1.223 519 V CB -0.437 31.418 31.823 0.054 0.000 0.930 519 V HN 1.184 nan 8.190 nan 0.000 0.499 520 H N 2.514 121.435 119.070 -0.249 0.000 3.024 520 H HA 0.445 5.001 4.556 -0.000 0.000 0.324 520 H C -0.944 174.206 175.328 -0.298 0.000 1.347 520 H CA -0.299 55.462 56.048 -0.478 0.000 1.182 520 H CB 1.228 30.271 29.762 -1.199 0.000 1.889 520 H HN 0.673 nan 8.280 nan 0.000 0.528 521 T N -0.553 113.834 114.554 -0.279 0.000 2.895 521 T HA 0.431 4.781 4.350 -0.000 0.000 0.283 521 T C -0.453 174.116 174.700 -0.217 0.000 1.014 521 T CA -0.783 61.190 62.100 -0.212 0.000 1.037 521 T CB 1.592 70.381 68.868 -0.131 0.000 1.006 521 T HN 0.666 nan 8.240 nan 0.000 0.468 522 H N 1.080 119.957 119.070 -0.321 0.000 2.492 522 H HA 0.638 5.194 4.556 -0.000 0.000 0.345 522 H C -0.318 174.983 175.328 -0.045 0.000 1.136 522 H CA -1.027 54.930 56.048 -0.151 0.000 1.202 522 H CB 1.922 31.595 29.762 -0.149 0.000 1.524 522 H HN 0.832 nan 8.280 nan 0.000 0.506 523 S N 1.011 116.852 115.700 0.235 0.000 2.595 523 S HA 0.841 5.311 4.470 -0.000 0.000 0.281 523 S C -0.783 174.056 174.600 0.399 0.000 1.117 523 S CA -1.015 57.387 58.200 0.337 0.000 0.873 523 S CB 2.551 65.895 63.200 0.239 0.000 1.108 523 S HN 0.843 nan 8.310 nan 0.000 0.477 524 A N 0.768 123.812 122.820 0.372 0.000 2.572 524 A HA 0.762 5.082 4.320 -0.000 0.000 0.295 524 A C -1.534 175.926 177.584 -0.206 0.000 1.072 524 A CA -0.599 51.396 52.037 -0.071 0.000 0.691 524 A CB 1.297 20.074 19.000 -0.372 0.000 1.291 524 A HN 0.948 nan 8.150 nan 0.000 0.404 525 H N 0.427 118.927 119.070 -0.950 0.000 2.529 525 H HA 0.659 5.215 4.556 -0.000 0.000 0.348 525 H C -1.750 173.045 175.328 -0.887 0.000 1.079 525 H CA -0.460 55.048 56.048 -0.901 0.000 1.198 525 H CB 1.097 29.992 29.762 -1.444 0.000 1.521 525 H HN 0.523 nan 8.280 nan 0.000 0.514 526 F N 2.653 122.371 119.950 -0.386 0.000 2.520 526 F HA 0.283 4.810 4.527 -0.000 0.000 0.322 526 F C -0.005 175.564 175.800 -0.385 0.000 1.103 526 F CA -0.876 56.952 58.000 -0.287 0.000 0.926 526 F CB 1.873 40.856 39.000 -0.029 0.000 1.154 526 F HN 0.270 nan 8.300 nan 0.000 0.453 527 K N 2.791 123.104 120.400 -0.145 0.000 2.240 527 K HA 0.653 4.973 4.320 -0.000 0.000 0.271 527 K C -1.640 174.763 176.600 -0.329 0.000 1.018 527 K CA -0.396 55.662 56.287 -0.382 0.000 0.874 527 K CB 1.233 33.533 32.500 -0.333 0.000 1.098 527 K HN 0.552 nan 8.250 nan 0.000 0.458 528 V N 4.364 124.019 119.914 -0.431 0.000 2.305 528 V HA 0.077 4.197 4.120 -0.000 0.000 0.275 528 V C -0.632 175.295 176.094 -0.278 0.000 1.020 528 V CA -0.863 61.260 62.300 -0.294 0.000 0.811 528 V CB 0.948 32.590 31.823 -0.302 0.000 1.031 528 V HN 0.757 nan 8.190 nan 0.000 0.439 529 D N 4.805 125.083 120.400 -0.203 0.000 2.522 529 D HA 0.267 4.907 4.640 -0.000 0.000 0.218 529 D C 0.037 176.320 176.300 -0.028 0.000 1.149 529 D CA -0.076 53.862 54.000 -0.104 0.000 0.981 529 D CB 0.370 41.174 40.800 0.007 0.000 1.041 529 D HN 0.410 nan 8.370 nan 0.000 0.518 530 L N 2.388 123.586 121.223 -0.041 0.000 2.410 530 L HA 0.163 4.503 4.340 -0.000 0.000 0.273 530 L C 0.256 177.156 176.870 0.050 0.000 1.152 530 L CA 0.095 54.934 54.840 -0.002 0.000 0.855 530 L CB 0.715 42.785 42.059 0.019 0.000 1.129 530 L HN 0.158 nan 8.230 nan 0.000 0.463 531 D N 2.975 123.420 120.400 0.074 0.000 2.551 531 D HA 0.171 4.811 4.640 -0.000 0.000 0.294 531 D C -0.480 175.915 176.300 0.158 0.000 1.201 531 D CA -0.176 53.891 54.000 0.112 0.000 0.941 531 D CB 1.096 41.967 40.800 0.118 0.000 0.995 531 D HN 0.026 nan 8.370 nan 0.000 0.502 532 V N 1.291 121.328 119.914 0.205 0.000 2.397 532 V HA 0.308 4.428 4.120 -0.000 0.000 0.262 532 V C 1.156 177.454 176.094 0.341 0.000 1.047 532 V CA -0.416 62.077 62.300 0.323 0.000 1.003 532 V CB 0.031 32.100 31.823 0.411 0.000 1.037 532 V HN 0.670 nan 8.190 nan 0.000 0.480 533 A N 3.817 126.844 122.820 0.345 0.000 2.739 533 A HA 0.177 4.497 4.320 -0.000 0.000 0.296 533 A C 1.135 178.865 177.584 0.244 0.000 1.488 533 A CA 1.125 53.306 52.037 0.240 0.000 0.746 533 A CB -1.470 17.644 19.000 0.190 0.000 1.047 533 A HN 2.725 nan 8.150 nan 0.000 0.477 534 G N -2.539 106.379 108.800 0.198 0.000 2.498 534 G HA2 0.140 4.100 3.960 -0.000 0.000 0.651 534 G HA3 0.140 4.100 3.960 -0.000 0.000 0.651 534 G C 0.323 175.310 174.900 0.145 0.000 1.284 534 G CA -0.297 44.904 45.100 0.169 0.000 0.950 534 G HN 1.063 nan 8.290 nan 0.000 0.511 535 L N -0.009 121.275 121.223 0.102 0.000 2.162 535 L HA 0.165 4.505 4.340 -0.000 0.000 0.205 535 L C 1.121 178.020 176.870 0.049 0.000 1.086 535 L CA 0.929 55.803 54.840 0.057 0.000 0.778 535 L CB -0.459 41.608 42.059 0.013 0.000 0.928 535 L HN 0.522 nan 8.230 nan 0.000 0.446 536 E N 1.983 122.223 120.200 0.067 0.000 2.217 536 E HA 0.163 4.512 4.350 -0.000 0.000 0.279 536 E C -0.624 176.059 176.600 0.137 0.000 1.068 536 E CA 0.155 56.558 56.400 0.005 0.000 0.882 536 E CB 0.193 29.910 29.700 0.028 0.000 1.039 536 E HN 0.148 nan 8.360 nan 0.000 0.418 537 N N 2.392 121.103 118.700 0.017 0.000 2.312 537 N HA 0.426 5.166 4.740 -0.000 0.000 0.296 537 N C -0.736 174.856 175.510 0.136 0.000 1.193 537 N CA -0.592 52.610 53.050 0.253 0.000 0.773 537 N CB 1.427 40.036 38.487 0.202 0.000 1.435 537 N HN 0.364 nan 8.380 nan 0.000 0.484 538 W N 0.182 121.529 121.300 0.078 0.000 2.902 538 W HA 0.536 5.196 4.660 -0.000 0.000 0.346 538 W C -0.366 176.156 176.519 0.006 0.000 1.139 538 W CA -0.942 56.402 57.345 -0.003 0.000 1.139 538 W CB 1.783 31.206 29.460 -0.062 0.000 1.439 538 W HN 0.129 nan 8.180 nan 0.000 0.558 539 V N 0.226 120.213 119.914 0.122 0.000 2.555 539 V HA 0.601 4.721 4.120 -0.000 0.000 0.302 539 V C -1.704 174.332 176.094 -0.097 0.000 1.038 539 V CA -0.732 61.602 62.300 0.058 0.000 0.887 539 V CB 1.504 33.367 31.823 0.068 0.000 0.991 539 V HN 0.576 nan 8.190 nan 0.000 0.434 540 W N 3.292 124.431 121.300 -0.267 0.000 2.606 540 W HA 0.820 5.480 4.660 -0.000 0.000 0.332 540 W C 0.024 176.377 176.519 -0.277 0.000 1.052 540 W CA -0.545 56.588 57.345 -0.354 0.000 1.223 540 W CB 2.432 31.446 29.460 -0.743 0.000 1.383 540 W HN 0.891 nan 8.180 nan 0.000 0.524 541 A N 3.056 125.999 122.820 0.204 0.000 2.360 541 A HA 0.536 4.856 4.320 -0.000 0.000 0.309 541 A C -0.768 176.953 177.584 0.227 0.000 1.311 541 A CA -0.584 51.566 52.037 0.188 0.000 0.805 541 A CB 0.322 19.436 19.000 0.191 0.000 1.144 541 A HN 0.657 nan 8.150 nan 0.000 0.486 542 E N 1.250 121.589 120.200 0.231 0.000 2.277 542 E HA 0.487 4.837 4.350 -0.000 0.000 0.274 542 E C -0.480 176.219 176.600 0.166 0.000 1.022 542 E CA -0.225 56.285 56.400 0.183 0.000 0.853 542 E CB 1.345 31.125 29.700 0.133 0.000 1.086 542 E HN 0.730 nan 8.360 nan 0.000 0.397 543 D N 0.345 120.807 120.400 0.103 0.000 3.948 543 D HA 0.366 5.006 4.640 -0.000 0.000 0.338 543 D C -1.494 174.827 176.300 0.036 0.000 1.541 543 D CA -0.382 53.675 54.000 0.096 0.000 0.973 543 D CB 1.062 41.917 40.800 0.092 0.000 1.449 543 D HN 0.409 nan 8.370 nan 0.000 0.624 544 M N 0.244 119.861 119.600 0.029 0.000 2.603 544 M HA 0.675 5.155 4.480 -0.000 0.000 0.275 544 M C -2.044 174.243 176.300 -0.021 0.000 1.226 544 M CA -0.701 54.583 55.300 -0.027 0.000 0.870 544 M CB 2.792 35.371 32.600 -0.036 0.000 1.716 544 M HN 0.141 nan 8.290 nan 0.000 0.482 545 V N 1.430 121.283 119.914 -0.101 0.000 3.167 545 V HA 0.701 4.821 4.120 -0.000 0.000 0.293 545 V C -2.280 173.713 176.094 -0.168 0.000 1.379 545 V CA -0.546 61.732 62.300 -0.036 0.000 1.019 545 V CB 2.685 34.520 31.823 0.020 0.000 1.115 545 V HN 0.901 nan 8.190 nan 0.000 0.442 546 F N 3.800 123.761 119.950 0.018 0.000 2.469 546 F HA 0.795 5.322 4.527 -0.000 0.000 0.332 546 F C -0.005 175.802 175.800 0.011 0.000 1.103 546 F CA -0.600 57.408 58.000 0.013 0.000 0.979 546 F CB 2.255 41.262 39.000 0.011 0.000 1.137 546 F HN 0.328 nan 8.300 nan 0.000 0.463 547 V N 4.412 124.424 119.914 0.163 0.000 2.447 547 V HA 0.343 4.463 4.120 -0.000 0.000 0.292 547 V C -2.397 173.750 176.094 0.088 0.000 1.021 547 V CA -2.191 60.168 62.300 0.097 0.000 0.850 547 V CB 1.617 33.468 31.823 0.047 0.000 1.005 547 V HN 0.496 nan 8.190 nan 0.000 0.426 548 P HA 0.303 nan 4.420 nan 0.000 0.265 548 P C -0.528 176.787 177.300 0.025 0.000 1.193 548 P CA 0.344 63.471 63.100 0.046 0.000 0.765 548 P CB 0.378 32.097 31.700 0.031 0.000 0.823 549 M N 1.700 121.306 119.600 0.009 0.000 2.414 549 M HA 0.479 4.958 4.480 -0.000 0.000 0.287 549 M C -0.884 175.393 176.300 -0.039 0.000 1.181 549 M CA -0.829 54.464 55.300 -0.011 0.000 0.933 549 M CB 2.503 35.097 32.600 -0.010 0.000 1.732 549 M HN 0.232 nan 8.290 nan 0.000 0.486 550 A N 2.243 125.032 122.820 -0.052 0.000 2.440 550 A HA 0.479 4.799 4.320 -0.000 0.000 0.251 550 A C -0.143 177.348 177.584 -0.154 0.000 1.089 550 A CA -0.450 51.536 52.037 -0.085 0.000 0.779 550 A CB -0.007 18.948 19.000 -0.075 0.000 1.022 550 A HN 0.635 nan 8.150 nan 0.000 0.492 551 V N 5.691 125.462 119.914 -0.237 0.000 2.452 551 V HA -0.005 4.115 4.120 -0.000 0.000 0.286 551 V C -1.261 174.526 176.094 -0.511 0.000 0.995 551 V CA -0.364 61.633 62.300 -0.506 0.000 1.116 551 V CB 0.220 31.638 31.823 -0.675 0.000 0.954 551 V HN 0.841 nan 8.190 nan 0.000 0.473 552 P HA -0.177 nan 4.420 nan 0.000 0.217 552 P C 1.170 178.439 177.300 -0.051 0.000 1.162 552 P CA 1.995 65.023 63.100 -0.120 0.000 0.901 552 P CB -0.027 31.739 31.700 0.110 0.000 0.793 553 W N -1.800 119.516 121.300 0.027 0.000 3.388 553 W HA 0.517 5.177 4.660 -0.000 0.000 0.324 553 W C 0.124 176.664 176.519 0.036 0.000 1.250 553 W CA 0.066 57.427 57.345 0.026 0.000 1.809 553 W CB -0.452 29.022 29.460 0.024 0.000 1.083 553 W HN -0.113 nan 8.180 nan 0.000 0.685 554 S N 0.486 116.039 115.700 -0.245 0.000 2.730 554 S HA 0.217 4.687 4.470 -0.000 0.000 0.150 554 S C -1.978 172.524 174.600 -0.165 0.000 1.139 554 S CA -0.674 57.457 58.200 -0.115 0.000 1.155 554 S CB -0.023 63.176 63.200 -0.002 0.000 1.682 554 S HN -0.167 nan 8.310 nan 0.000 0.452 555 P HA -0.123 nan 4.420 nan 0.000 0.223 555 P C 1.482 178.706 177.300 -0.127 0.000 1.144 555 P CA 0.770 63.795 63.100 -0.125 0.000 0.783 555 P CB 0.022 31.674 31.700 -0.081 0.000 0.771 556 E N 0.094 120.189 120.200 -0.175 0.000 2.463 556 E HA -0.184 4.166 4.350 -0.000 0.000 0.201 556 E C -0.285 176.151 176.600 -0.273 0.000 1.045 556 E CA 0.807 57.072 56.400 -0.225 0.000 0.872 556 E CB -0.637 28.917 29.700 -0.243 0.000 0.797 556 E HN 0.391 nan 8.360 nan 0.000 0.538 557 H N 0.058 119.073 119.070 -0.091 0.000 2.529 557 H HA 0.345 4.901 4.556 -0.000 0.000 0.348 557 H C -0.213 175.045 175.328 -0.116 0.000 1.152 557 H CA -0.936 55.055 56.048 -0.095 0.000 1.202 557 H CB 1.351 31.049 29.762 -0.107 0.000 1.562 557 H HN -0.031 nan 8.280 nan 0.000 0.515 558 Q N 2.153 121.991 119.800 0.064 0.000 2.306 558 Q HA 0.415 4.755 4.340 -0.000 0.000 0.265 558 Q C -0.972 175.015 176.000 -0.022 0.000 1.022 558 Q CA -0.904 54.897 55.803 -0.003 0.000 0.853 558 Q CB 3.210 31.951 28.738 0.004 0.000 1.327 558 Q HN 0.526 nan 8.270 nan 0.000 0.449 559 L N -0.039 121.166 121.223 -0.030 0.000 2.431 559 L HA 0.442 4.782 4.340 -0.000 0.000 0.266 559 L C -1.070 175.820 176.870 0.034 0.000 0.978 559 L CA -0.747 54.085 54.840 -0.014 0.000 0.822 559 L CB 2.195 44.223 42.059 -0.051 0.000 1.310 559 L HN 0.393 nan 8.230 nan 0.000 0.409 560 Q N 3.850 123.698 119.800 0.080 0.000 2.377 560 Q HA 0.294 4.634 4.340 -0.000 0.000 0.249 560 Q C -0.840 175.333 176.000 0.288 0.000 1.005 560 Q CA -0.383 55.526 55.803 0.175 0.000 0.912 560 Q CB 1.609 30.425 28.738 0.130 0.000 1.223 560 Q HN 0.487 nan 8.270 nan 0.000 0.459 561 R N 2.649 123.263 120.500 0.191 0.000 2.229 561 R HA 0.317 4.657 4.340 -0.000 0.000 0.328 561 R C -1.141 175.127 176.300 -0.053 0.000 1.009 561 R CA -0.495 55.650 56.100 0.076 0.000 0.864 561 R CB 0.258 30.578 30.300 0.034 0.000 1.085 561 R HN 0.461 nan 8.270 nan 0.000 0.453 562 L N 3.281 124.397 121.223 -0.178 0.000 2.312 562 L HA 0.438 4.778 4.340 -0.000 0.000 0.281 562 L C -0.856 175.858 176.870 -0.260 0.000 1.070 562 L CA 0.423 54.985 54.840 -0.463 0.000 0.805 562 L CB 1.243 42.991 42.059 -0.519 0.000 1.174 562 L HN 0.723 nan 8.230 nan 0.000 0.434 563 Q N 2.535 122.175 119.800 -0.266 0.000 2.315 563 Q HA 0.495 4.835 4.340 -0.000 0.000 0.273 563 Q C -1.258 174.663 176.000 -0.132 0.000 1.053 563 Q CA -0.776 54.940 55.803 -0.146 0.000 0.817 563 Q CB 2.546 31.230 28.738 -0.090 0.000 1.326 563 Q HN 0.519 nan 8.270 nan 0.000 0.423 564 V N 1.167 121.022 119.914 -0.099 0.000 3.185 564 V HA 0.358 4.478 4.120 -0.000 0.000 0.305 564 V C -0.026 176.051 176.094 -0.030 0.000 1.090 564 V CA 0.227 62.480 62.300 -0.077 0.000 1.107 564 V CB 1.672 33.438 31.823 -0.095 0.000 1.061 564 V HN 0.793 nan 8.190 nan 0.000 0.480 565 T N 3.916 118.471 114.554 0.001 0.000 3.066 565 T HA 0.426 4.776 4.350 -0.000 0.000 0.318 565 T C -0.622 174.136 174.700 0.096 0.000 0.979 565 T CA -0.571 61.557 62.100 0.047 0.000 1.025 565 T CB 0.396 69.294 68.868 0.050 0.000 1.002 565 T HN 0.633 nan 8.240 nan 0.000 0.453 566 R N 2.455 123.038 120.500 0.139 0.000 2.445 566 R HA 0.682 5.022 4.340 -0.000 0.000 0.308 566 R C -0.472 176.041 176.300 0.355 0.000 0.961 566 R CA -1.081 55.179 56.100 0.267 0.000 0.862 566 R CB 2.206 32.637 30.300 0.218 0.000 1.144 566 R HN 0.359 nan 8.270 nan 0.000 0.447 567 K N 3.289 123.905 120.400 0.361 0.000 2.378 567 K HA 0.364 4.684 4.320 -0.000 0.000 0.252 567 K C -1.420 175.202 176.600 0.037 0.000 0.931 567 K CA -0.829 55.575 56.287 0.194 0.000 0.794 567 K CB 1.670 34.242 32.500 0.120 0.000 1.181 567 K HN 0.536 nan 8.250 nan 0.000 0.425 568 L N 5.971 126.974 121.223 -0.365 0.000 2.262 568 L HA 0.403 4.743 4.340 -0.000 0.000 0.288 568 L C -1.266 175.383 176.870 -0.368 0.000 1.035 568 L CA -0.534 53.808 54.840 -0.830 0.000 0.820 568 L CB 0.655 41.865 42.059 -1.415 0.000 1.204 568 L HN 0.637 nan 8.230 nan 0.000 0.424 569 L N 5.287 126.367 121.223 -0.238 0.000 2.369 569 L HA 0.185 4.524 4.340 -0.000 0.000 0.279 569 L C 0.830 177.636 176.870 -0.107 0.000 1.108 569 L CA 0.147 54.918 54.840 -0.114 0.000 0.852 569 L CB 0.831 42.863 42.059 -0.045 0.000 1.169 569 L HN 0.785 nan 8.230 nan 0.000 0.452 570 E N 2.263 122.411 120.200 -0.088 0.000 2.307 570 E HA 0.139 4.489 4.350 -0.000 0.000 0.195 570 E C 0.010 176.564 176.600 -0.076 0.000 0.975 570 E CA 0.483 56.839 56.400 -0.074 0.000 0.878 570 E CB 0.522 30.189 29.700 -0.055 0.000 0.845 570 E HN 0.445 nan 8.360 nan 0.000 0.488 571 M N 0.335 119.892 119.600 -0.072 0.000 2.383 571 M HA 0.218 4.698 4.480 -0.000 0.000 0.325 571 M C 0.581 176.834 176.300 -0.078 0.000 1.092 571 M CA -0.141 55.117 55.300 -0.070 0.000 0.961 571 M CB 1.583 34.148 32.600 -0.059 0.000 1.672 571 M HN -0.047 nan 8.290 nan 0.000 0.438 572 E N 1.178 121.335 120.200 -0.072 0.000 2.108 572 E HA -0.257 4.092 4.350 -0.000 0.000 0.203 572 E C 1.039 177.574 176.600 -0.107 0.000 1.022 572 E CA 1.764 58.119 56.400 -0.075 0.000 0.823 572 E CB 0.284 29.948 29.700 -0.061 0.000 0.744 572 E HN 0.558 nan 8.360 nan 0.000 0.456 573 E N 0.690 120.833 120.200 -0.094 0.000 2.130 573 E HA -0.235 4.115 4.350 -0.000 0.000 0.196 573 E C 1.999 178.510 176.600 -0.149 0.000 0.998 573 E CA 1.212 57.553 56.400 -0.098 0.000 0.806 573 E CB -0.295 29.368 29.700 -0.060 0.000 0.738 573 E HN 0.482 nan 8.360 nan 0.000 0.459 574 Q N -0.135 119.577 119.800 -0.148 0.000 2.172 574 Q HA 0.070 4.410 4.340 -0.000 0.000 0.200 574 Q C 1.713 177.488 176.000 -0.375 0.000 0.964 574 Q CA 1.169 56.859 55.803 -0.189 0.000 0.855 574 Q CB 0.085 28.760 28.738 -0.104 0.000 0.918 574 Q HN 0.222 nan 8.270 nan 0.000 0.444 575 A N 0.264 122.899 122.820 -0.309 0.000 2.307 575 A HA 0.444 4.764 4.320 -0.000 0.000 0.218 575 A C 0.563 177.907 177.584 -0.402 0.000 1.228 575 A CA 0.018 51.856 52.037 -0.333 0.000 0.857 575 A CB 0.220 19.183 19.000 -0.061 0.000 0.897 575 A HN 0.214 nan 8.150 nan 0.000 0.495 576 A N -0.012 122.551 122.820 -0.430 0.000 2.260 576 A HA 0.687 5.007 4.320 -0.000 0.000 0.308 576 A C -0.902 176.505 177.584 -0.295 0.000 1.254 576 A CA -0.266 51.605 52.037 -0.277 0.000 0.874 576 A CB -0.145 18.700 19.000 -0.258 0.000 1.153 576 A HN 0.281 nan 8.150 nan 0.000 0.527 577 F N 2.797 122.876 119.950 0.216 0.000 2.427 577 F HA 0.387 4.914 4.527 -0.000 0.000 0.348 577 F C 0.211 176.198 175.800 0.312 0.000 1.125 577 F CA -0.490 57.643 58.000 0.223 0.000 0.989 577 F CB 1.581 40.677 39.000 0.160 0.000 1.165 577 F HN 0.377 nan 8.300 nan 0.000 0.442 578 L N 3.860 125.324 121.223 0.402 0.000 2.417 578 L HA 0.298 4.638 4.340 -0.000 0.000 0.268 578 L C 0.131 177.113 176.870 0.188 0.000 1.158 578 L CA -0.864 54.120 54.840 0.240 0.000 0.819 578 L CB 0.980 43.106 42.059 0.112 0.000 1.112 578 L HN 0.280 nan 8.230 nan 0.000 0.458 579 V N 2.793 122.775 119.914 0.114 0.000 2.694 579 V HA 0.150 4.269 4.120 -0.000 0.000 0.306 579 V C 1.156 177.290 176.094 0.067 0.000 1.054 579 V CA 1.779 64.131 62.300 0.087 0.000 1.161 579 V CB 0.488 32.340 31.823 0.047 0.000 0.916 579 V HN 1.162 nan 8.190 nan 0.000 0.490 580 G N 3.982 112.823 108.800 0.069 0.000 3.211 580 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.206 580 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.206 580 G C 0.371 175.313 174.900 0.069 0.000 1.418 580 G CA -0.020 45.114 45.100 0.057 0.000 0.958 580 G HN 1.057 nan 8.290 nan 0.000 0.567 581 S N 1.810 117.566 115.700 0.094 0.000 2.572 581 S HA 0.641 5.111 4.470 -0.000 0.000 0.279 581 S C 0.697 175.358 174.600 0.102 0.000 1.341 581 S CA 0.384 58.651 58.200 0.111 0.000 1.043 581 S CB 1.659 64.952 63.200 0.155 0.000 0.887 581 S HN 1.824 nan 8.310 nan 0.000 0.516 582 A N 1.716 124.583 122.820 0.078 0.000 2.296 582 A HA 0.708 5.028 4.320 -0.000 0.000 0.264 582 A C 0.615 178.203 177.584 0.007 0.000 1.097 582 A CA -0.134 51.924 52.037 0.035 0.000 0.811 582 A CB 0.254 19.275 19.000 0.034 0.000 1.072 582 A HN 1.169 nan 8.150 nan 0.000 0.495 583 T N -0.874 113.624 114.554 -0.094 0.000 2.889 583 T HA 0.647 4.996 4.350 -0.000 0.000 0.315 583 T C -3.239 171.326 174.700 -0.225 0.000 1.291 583 T CA -1.282 60.620 62.100 -0.329 0.000 1.028 583 T CB 1.280 69.852 68.868 -0.494 0.000 1.235 583 T HN 0.425 nan 8.240 nan 0.000 0.491 584 P HA 0.440 nan 4.420 nan 0.000 0.271 584 P C 0.680 177.947 177.300 -0.054 0.000 1.216 584 P CA -0.532 62.531 63.100 -0.063 0.000 0.771 584 P CB 0.654 32.358 31.700 0.007 0.000 0.864 585 R N 1.403 121.912 120.500 0.015 0.000 2.081 585 R HA -0.088 4.252 4.340 -0.000 0.000 0.235 585 R C 0.093 176.341 176.300 -0.087 0.000 1.131 585 R CA 1.382 57.477 56.100 -0.009 0.000 0.960 585 R CB -0.184 30.163 30.300 0.079 0.000 0.856 585 R HN 0.501 nan 8.270 nan 0.000 0.436 586 Y N -0.043 120.230 120.300 -0.046 0.000 2.356 586 Y HA 0.379 4.929 4.550 -0.000 0.000 0.334 586 Y C -0.687 175.223 175.900 0.017 0.000 0.958 586 Y CA -0.583 57.478 58.100 -0.064 0.000 1.196 586 Y CB 1.425 39.811 38.460 -0.123 0.000 1.137 586 Y HN -0.036 nan 8.280 nan 0.000 0.485 587 L N 7.055 128.345 121.223 0.111 0.000 2.441 587 L HA 0.603 4.943 4.340 -0.000 0.000 0.270 587 L C -1.795 175.201 176.870 0.210 0.000 0.973 587 L CA -0.674 54.245 54.840 0.131 0.000 0.842 587 L CB 0.969 43.055 42.059 0.045 0.000 1.239 587 L HN 0.614 nan 8.230 nan 0.000 0.406 588 Y N 3.344 123.734 120.300 0.149 0.000 2.534 588 Y HA 0.688 5.237 4.550 -0.000 0.000 0.345 588 Y C -1.625 174.438 175.900 0.272 0.000 1.031 588 Y CA -1.460 56.748 58.100 0.181 0.000 1.022 588 Y CB 1.090 39.648 38.460 0.162 0.000 1.292 588 Y HN 0.294 nan 8.280 nan 0.000 0.459 589 L N 3.339 124.809 121.223 0.411 0.000 2.357 589 L HA 0.905 5.245 4.340 -0.000 0.000 0.273 589 L C 0.127 177.320 176.870 0.538 0.000 1.080 589 L CA -0.793 54.269 54.840 0.371 0.000 0.803 589 L CB 1.291 43.514 42.059 0.274 0.000 1.174 589 L HN 0.991 nan 8.230 nan 0.000 0.443 590 A N 1.980 125.119 122.820 0.532 0.000 2.552 590 A HA 0.758 5.078 4.320 -0.000 0.000 0.288 590 A C -1.035 176.853 177.584 0.507 0.000 1.193 590 A CA -0.445 51.939 52.037 0.579 0.000 0.713 590 A CB 2.029 21.463 19.000 0.725 0.000 1.305 590 A HN 0.540 nan 8.150 nan 0.000 0.424 591 S N -1.126 114.811 115.700 0.394 0.000 2.600 591 S HA 0.394 4.864 4.470 -0.000 0.000 0.300 591 S C 1.037 175.661 174.600 0.040 0.000 1.087 591 S CA -0.353 58.034 58.200 0.311 0.000 0.965 591 S CB 1.460 64.830 63.200 0.284 0.000 1.089 591 S HN 0.809 nan 8.310 nan 0.000 0.496 592 N N 2.055 120.684 118.700 -0.119 0.000 2.036 592 N HA -0.162 4.578 4.740 -0.000 0.000 0.199 592 N C 0.456 175.826 175.510 -0.233 0.000 1.036 592 N CA 1.751 54.583 53.050 -0.364 0.000 0.870 592 N CB -0.701 37.634 38.487 -0.254 0.000 1.055 592 N HN 0.674 nan 8.380 nan 0.000 0.436 593 H N -0.899 118.171 119.070 0.000 0.000 2.871 593 H HA 0.159 4.715 4.556 -0.000 0.000 0.377 593 H C 0.035 175.334 175.328 -0.048 0.000 1.307 593 H CA 0.508 56.538 56.048 -0.029 0.000 1.449 593 H CB 0.321 30.064 29.762 -0.031 0.000 1.452 593 H HN 0.122 nan 8.280 nan 0.000 0.619 594 S N 0.737 116.474 115.700 0.062 0.000 2.595 594 S HA 0.169 4.639 4.470 -0.000 0.000 0.281 594 S C 0.072 174.614 174.600 -0.097 0.000 1.117 594 S CA -1.116 57.068 58.200 -0.026 0.000 0.873 594 S CB 1.879 65.044 63.200 -0.057 0.000 1.108 594 S HN 0.757 nan 8.310 nan 0.000 0.477 595 N N 1.184 119.813 118.700 -0.120 0.000 2.327 595 N HA 0.182 4.922 4.740 -0.000 0.000 0.257 595 N C 0.806 176.139 175.510 -0.295 0.000 1.281 595 N CA -0.462 52.473 53.050 -0.192 0.000 0.942 595 N CB 0.187 38.603 38.487 -0.118 0.000 1.199 595 N HN 0.610 nan 8.380 nan 0.000 0.532 596 K N -0.437 119.650 120.400 -0.522 0.000 2.089 596 K HA -0.142 4.178 4.320 -0.000 0.000 0.210 596 K C 0.999 177.178 176.600 -0.702 0.000 1.048 596 K CA 1.757 57.563 56.287 -0.801 0.000 0.926 596 K CB -0.182 31.453 32.500 -1.442 0.000 0.714 596 K HN 0.675 nan 8.250 nan 0.000 0.448 597 W N -0.397 120.841 121.300 -0.103 0.000 3.290 597 W HA 0.228 4.888 4.660 -0.000 0.000 0.287 597 W C 0.988 177.353 176.519 -0.256 0.000 1.288 597 W CA 0.080 57.339 57.345 -0.143 0.000 1.725 597 W CB 0.390 29.791 29.460 -0.099 0.000 1.103 597 W HN 0.274 nan 8.180 nan 0.000 0.670 598 G N 0.351 109.075 108.800 -0.126 0.000 2.132 598 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.228 598 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.228 598 G C -0.072 174.666 174.900 -0.271 0.000 1.000 598 G CA -0.473 44.513 45.100 -0.190 0.000 0.693 598 G HN 0.347 nan 8.290 nan 0.000 0.515 599 H N 0.626 119.666 119.070 -0.050 0.000 2.481 599 H HA 0.393 4.948 4.556 -0.000 0.000 0.339 599 H C -2.155 173.116 175.328 -0.095 0.000 1.131 599 H CA -1.673 54.312 56.048 -0.106 0.000 1.301 599 H CB 1.441 31.103 29.762 -0.168 0.000 1.476 599 H HN 0.118 nan 8.280 nan 0.000 0.529 600 P HA 0.062 nan 4.420 nan 0.000 0.267 600 P C -0.179 177.186 177.300 0.107 0.000 1.205 600 P CA -0.020 63.127 63.100 0.078 0.000 0.765 600 P CB 0.609 32.382 31.700 0.121 0.000 0.828 601 R N 1.984 122.551 120.500 0.111 0.000 2.401 601 R HA 0.516 4.856 4.340 -0.000 0.000 0.299 601 R C 0.863 177.353 176.300 0.316 0.000 1.064 601 R CA 0.137 56.309 56.100 0.120 0.000 1.000 601 R CB 0.334 30.629 30.300 -0.007 0.000 0.973 601 R HN 0.605 nan 8.270 nan 0.000 0.438 602 G N 2.050 111.047 108.800 0.329 0.000 2.620 602 G HA2 0.440 4.399 3.960 -0.000 0.000 0.301 602 G HA3 0.440 4.399 3.960 -0.000 0.000 0.301 602 G C -1.814 173.260 174.900 0.289 0.000 1.347 602 G CA -0.413 44.932 45.100 0.409 0.000 0.971 602 G HN 0.375 nan 8.290 nan 0.000 0.488 603 Y N 0.194 120.665 120.300 0.284 0.000 2.377 603 Y HA 0.617 5.167 4.550 -0.000 0.000 0.339 603 Y C 0.618 176.662 175.900 0.239 0.000 1.011 603 Y CA -0.671 57.531 58.100 0.170 0.000 1.093 603 Y CB 2.233 40.734 38.460 0.068 0.000 1.201 603 Y HN 0.591 nan 8.280 nan 0.000 0.455 604 R N 3.875 124.499 120.500 0.207 0.000 2.393 604 R HA 0.649 4.989 4.340 -0.000 0.000 0.310 604 R C -1.592 174.804 176.300 0.160 0.000 0.968 604 R CA -0.470 55.734 56.100 0.173 0.000 0.867 604 R CB 0.695 30.993 30.300 -0.003 0.000 1.124 604 R HN 0.729 nan 8.270 nan 0.000 0.450 605 I N 3.238 123.888 120.570 0.133 0.000 2.365 605 I HA 0.206 4.376 4.170 -0.000 0.000 0.291 605 I C -0.077 176.071 176.117 0.052 0.000 1.004 605 I CA -0.102 61.256 61.300 0.098 0.000 1.311 605 I CB 1.617 39.638 38.000 0.035 0.000 1.401 605 I HN 0.539 nan 8.210 nan 0.000 0.491 606 Q N 7.380 127.242 119.800 0.103 0.000 2.303 606 Q HA 0.493 4.833 4.340 -0.000 0.000 0.267 606 Q C -1.295 174.779 176.000 0.124 0.000 1.011 606 Q CA -0.638 55.202 55.803 0.061 0.000 0.740 606 Q CB 1.589 30.361 28.738 0.057 0.000 1.250 606 Q HN 0.637 nan 8.270 nan 0.000 0.458 607 M N 2.699 122.327 119.600 0.047 0.000 2.371 607 M HA 0.440 4.920 4.480 -0.000 0.000 0.301 607 M C -0.745 175.545 176.300 -0.018 0.000 1.173 607 M CA -0.554 54.776 55.300 0.050 0.000 1.020 607 M CB 1.051 33.664 32.600 0.022 0.000 1.490 607 M HN 0.532 nan 8.290 nan 0.000 0.485 608 L N 0.989 122.169 121.223 -0.070 0.000 2.534 608 L HA 0.369 4.709 4.340 -0.000 0.000 0.259 608 L C -1.029 175.645 176.870 -0.326 0.000 1.108 608 L CA 0.085 54.788 54.840 -0.227 0.000 0.905 608 L CB 1.479 43.426 42.059 -0.185 0.000 1.138 608 L HN 0.629 nan 8.230 nan 0.000 0.475 609 S N 1.447 116.874 115.700 -0.455 0.000 2.546 609 S HA 0.708 5.178 4.470 -0.000 0.000 0.274 609 S C -0.948 173.361 174.600 -0.485 0.000 1.121 609 S CA -0.302 57.710 58.200 -0.314 0.000 0.887 609 S CB 0.938 64.119 63.200 -0.031 0.000 1.094 609 S HN 0.272 nan 8.310 nan 0.000 0.474 610 F N 2.501 122.511 119.950 0.100 0.000 2.761 610 F HA 0.501 5.028 4.527 -0.000 0.000 0.367 610 F C 0.961 176.828 175.800 0.112 0.000 1.386 610 F CA -0.650 57.397 58.000 0.079 0.000 1.177 610 F CB 0.173 39.199 39.000 0.043 0.000 1.092 610 F HN 0.717 nan 8.300 nan 0.000 0.517 611 A N 0.876 123.819 122.820 0.206 0.000 2.622 611 A HA 0.295 4.615 4.320 -0.000 0.000 0.235 611 A C 1.141 178.808 177.584 0.139 0.000 1.013 611 A CA 0.886 53.022 52.037 0.164 0.000 0.765 611 A CB -0.293 18.776 19.000 0.115 0.000 0.921 611 A HN 0.626 nan 8.150 nan 0.000 0.506 612 G N 1.185 110.046 108.800 0.102 0.000 2.539 612 G HA2 0.440 4.400 3.960 -0.000 0.000 0.258 612 G HA3 0.440 4.400 3.960 -0.000 0.000 0.258 612 G C 0.006 174.921 174.900 0.025 0.000 1.202 612 G CA -0.582 44.548 45.100 0.050 0.000 0.851 612 G HN 0.847 nan 8.290 nan 0.000 0.556 613 E N 0.875 121.082 120.200 0.012 0.000 2.465 613 E HA 0.054 4.404 4.350 -0.000 0.000 0.260 613 E C -1.868 174.719 176.600 -0.022 0.000 0.980 613 E CA -0.784 55.615 56.400 -0.001 0.000 0.927 613 E CB 0.746 30.445 29.700 -0.001 0.000 0.934 613 E HN 0.149 nan 8.360 nan 0.000 0.459 614 P HA 0.059 nan 4.420 nan 0.000 0.277 614 P C -0.495 176.781 177.300 -0.041 0.000 1.240 614 P CA -0.655 62.408 63.100 -0.061 0.000 0.798 614 P CB 0.475 32.121 31.700 -0.090 0.000 0.979 615 L N 4.467 125.676 121.223 -0.023 0.000 2.678 615 L HA 0.014 4.353 4.340 -0.000 0.000 0.285 615 L C -1.982 174.876 176.870 -0.019 0.000 1.233 615 L CA -0.433 54.415 54.840 0.014 0.000 0.920 615 L CB -1.001 41.130 42.059 0.119 0.000 1.176 615 L HN 0.362 nan 8.230 nan 0.000 0.495 616 P HA -0.004 nan 4.420 nan 0.000 0.267 616 P C 0.181 177.453 177.300 -0.047 0.000 1.200 616 P CA -0.117 62.966 63.100 -0.029 0.000 0.772 616 P CB 0.459 32.151 31.700 -0.013 0.000 0.855 617 Q N 1.312 121.077 119.800 -0.057 0.000 2.061 617 Q HA -0.231 4.109 4.340 -0.000 0.000 0.204 617 Q C 1.625 177.595 176.000 -0.049 0.000 0.984 617 Q CA 1.286 57.048 55.803 -0.068 0.000 0.846 617 Q CB -0.414 28.288 28.738 -0.061 0.000 0.902 617 Q HN 0.471 nan 8.270 nan 0.000 0.421 618 N N 0.936 119.618 118.700 -0.030 0.000 2.242 618 N HA -0.132 4.608 4.740 -0.000 0.000 0.193 618 N C 0.552 176.057 175.510 -0.009 0.000 1.000 618 N CA 0.688 53.729 53.050 -0.015 0.000 0.885 618 N CB -0.223 38.260 38.487 -0.007 0.000 0.988 618 N HN 0.064 nan 8.380 nan 0.000 0.444 619 S N -0.389 115.301 115.700 -0.016 0.000 2.528 619 S HA 0.151 4.620 4.470 -0.000 0.000 0.277 619 S C 1.503 176.100 174.600 -0.005 0.000 1.297 619 S CA -0.092 58.108 58.200 -0.000 0.000 1.052 619 S CB 0.889 64.085 63.200 -0.007 0.000 0.917 619 S HN 0.346 nan 8.310 nan 0.000 0.492 620 S N 5.384 121.123 115.700 0.066 0.000 2.419 620 S HA -0.187 4.283 4.470 -0.000 0.000 0.235 620 S C 1.788 176.433 174.600 0.076 0.000 1.019 620 S CA 1.280 59.559 58.200 0.132 0.000 0.982 620 S CB -0.530 62.835 63.200 0.275 0.000 0.789 620 S HN 0.830 nan 8.310 nan 0.000 0.490 621 M N 1.143 120.709 119.600 -0.057 0.000 2.319 621 M HA 0.130 4.610 4.480 -0.000 0.000 0.265 621 M C 2.281 178.222 176.300 -0.598 0.000 1.068 621 M CA 1.087 56.128 55.300 -0.432 0.000 1.118 621 M CB -0.433 31.977 32.600 -0.317 0.000 1.395 621 M HN 0.527 nan 8.290 nan 0.000 0.435 622 A N 0.493 123.027 122.820 -0.476 0.000 2.070 622 A HA -0.151 4.168 4.320 -0.000 0.000 0.220 622 A C 1.917 179.052 177.584 -0.748 0.000 1.159 622 A CA 1.169 52.803 52.037 -0.671 0.000 0.656 622 A CB -0.557 18.254 19.000 -0.315 0.000 0.800 622 A HN 0.422 nan 8.150 nan 0.000 0.453 623 R N -0.469 119.743 120.500 -0.480 0.000 2.152 623 R HA -0.103 4.237 4.340 -0.000 0.000 0.232 623 R C 2.163 178.251 176.300 -0.353 0.000 1.117 623 R CA 1.092 56.998 56.100 -0.322 0.000 0.981 623 R CB -1.352 28.845 30.300 -0.171 0.000 0.870 623 R HN 0.519 nan 8.270 nan 0.000 0.451 624 G N 0.550 109.032 108.800 -0.530 0.000 2.559 624 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.216 624 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.216 624 G C 0.334 175.140 174.900 -0.157 0.000 1.126 624 G CA 0.320 45.221 45.100 -0.331 0.000 0.778 624 G HN 0.393 nan 8.290 nan 0.000 0.543 625 F N -1.067 118.774 119.950 -0.183 0.000 2.599 625 F HA 0.371 4.898 4.527 -0.000 0.000 0.367 625 F C 0.985 176.382 175.800 -0.672 0.000 1.517 625 F CA -0.924 56.822 58.000 -0.424 0.000 1.090 625 F CB -0.275 38.400 39.000 -0.542 0.000 1.758 625 F HN -0.049 nan 8.300 nan 0.000 0.550 626 S N -0.429 115.116 115.700 -0.258 0.000 2.507 626 S HA -0.154 4.316 4.470 -0.000 0.000 0.235 626 S C 1.548 176.105 174.600 -0.071 0.000 0.988 626 S CA 0.629 58.731 58.200 -0.163 0.000 0.944 626 S CB -0.671 62.522 63.200 -0.013 0.000 0.762 626 S HN 0.824 nan 8.310 nan 0.000 0.526 627 W N 2.068 123.309 121.300 -0.099 0.000 2.465 627 W HA 0.120 4.779 4.660 -0.000 0.000 0.268 627 W C 1.445 177.800 176.519 -0.273 0.000 1.242 627 W CA 0.698 57.785 57.345 -0.429 0.000 1.248 627 W CB -0.781 27.786 29.460 -1.488 0.000 1.118 627 W HN 0.385 nan 8.180 nan 0.000 0.587 628 E N 1.684 121.344 120.200 -0.901 0.000 2.160 628 E HA -0.221 4.129 4.350 -0.000 0.000 0.195 628 E C 2.073 178.531 176.600 -0.237 0.000 0.991 628 E CA 1.782 57.814 56.400 -0.614 0.000 0.810 628 E CB -0.082 29.209 29.700 -0.683 0.000 0.742 628 E HN 0.404 nan 8.360 nan 0.000 0.466 629 R N -0.808 119.522 120.500 -0.284 0.000 2.276 629 R HA 0.004 4.344 4.340 -0.000 0.000 0.203 629 R C 0.193 176.309 176.300 -0.308 0.000 1.017 629 R CA 0.270 56.179 56.100 -0.320 0.000 1.010 629 R CB -0.074 29.971 30.300 -0.426 0.000 0.900 629 R HN 0.138 nan 8.270 nan 0.000 0.469 630 Y N 1.245 121.607 120.300 0.102 0.000 2.361 630 Y HA 0.145 4.695 4.550 -0.000 0.000 0.332 630 Y C 1.561 177.584 175.900 0.205 0.000 1.101 630 Y CA -0.853 57.360 58.100 0.188 0.000 1.137 630 Y CB 1.475 40.104 38.460 0.282 0.000 1.207 630 Y HN -0.138 nan 8.280 nan 0.000 0.463 631 Q N 1.680 121.712 119.800 0.387 0.000 2.123 631 Q HA 0.070 4.410 4.340 -0.000 0.000 0.196 631 Q C -0.544 175.650 176.000 0.325 0.000 0.958 631 Q CA 0.786 56.768 55.803 0.297 0.000 0.841 631 Q CB 0.565 29.433 28.738 0.216 0.000 0.915 631 Q HN 0.550 nan 8.270 nan 0.000 0.455 632 L N -1.070 120.389 121.223 0.394 0.000 2.545 632 L HA 0.671 5.011 4.340 -0.000 0.000 0.258 632 L C -2.253 174.846 176.870 0.382 0.000 0.942 632 L CA -0.497 54.554 54.840 0.352 0.000 0.855 632 L CB 2.256 44.484 42.059 0.282 0.000 1.374 632 L HN -0.015 nan 8.230 nan 0.000 0.411 633 A N 3.695 126.720 122.820 0.340 0.000 2.486 633 A HA 0.872 5.192 4.320 -0.000 0.000 0.300 633 A C -1.767 175.999 177.584 0.303 0.000 1.048 633 A CA -0.542 51.649 52.037 0.257 0.000 0.696 633 A CB 1.932 21.082 19.000 0.250 0.000 1.278 633 A HN 0.625 nan 8.150 nan 0.000 0.405 634 V N 0.695 120.717 119.914 0.181 0.000 2.769 634 V HA 0.906 5.026 4.120 -0.000 0.000 0.312 634 V C 0.057 176.231 176.094 0.132 0.000 1.061 634 V CA -0.407 61.984 62.300 0.152 0.000 0.931 634 V CB 2.015 33.894 31.823 0.093 0.000 1.010 634 V HN 0.994 nan 8.190 nan 0.000 0.433 635 T N 2.246 116.887 114.554 0.145 0.000 3.012 635 T HA 0.281 4.631 4.350 -0.000 0.000 0.330 635 T C -0.897 173.859 174.700 0.093 0.000 1.321 635 T CA -0.502 61.701 62.100 0.172 0.000 1.067 635 T CB 1.931 71.073 68.868 0.456 0.000 1.235 635 T HN 0.737 nan 8.240 nan 0.000 0.479 636 Q N 1.967 121.791 119.800 0.039 0.000 2.311 636 Q HA 0.182 4.522 4.340 -0.000 0.000 0.272 636 Q C 0.174 176.190 176.000 0.026 0.000 1.012 636 Q CA 0.127 55.928 55.803 -0.004 0.000 0.891 636 Q CB 0.676 29.391 28.738 -0.039 0.000 1.201 636 Q HN 0.284 nan 8.270 nan 0.000 0.391 637 R N 3.534 124.038 120.500 0.006 0.000 2.210 637 R HA 0.189 4.529 4.340 -0.000 0.000 0.338 637 R C -1.019 175.277 176.300 -0.006 0.000 1.062 637 R CA -0.020 56.093 56.100 0.021 0.000 0.902 637 R CB 0.381 30.680 30.300 -0.002 0.000 1.050 637 R HN 0.443 nan 8.270 nan 0.000 0.461 638 K N 2.168 122.559 120.400 -0.015 0.000 2.281 638 K HA 0.209 4.529 4.320 -0.000 0.000 0.242 638 K C 0.518 177.108 176.600 -0.016 0.000 0.971 638 K CA -0.835 55.427 56.287 -0.042 0.000 0.834 638 K CB 1.764 34.209 32.500 -0.092 0.000 1.181 638 K HN 0.410 nan 8.250 nan 0.000 0.435 639 E N 1.191 121.384 120.200 -0.012 0.000 2.158 639 E HA -0.132 4.218 4.350 -0.000 0.000 0.191 639 E C 0.664 177.266 176.600 0.003 0.000 0.982 639 E CA 1.145 57.554 56.400 0.015 0.000 0.823 639 E CB 0.281 29.989 29.700 0.014 0.000 0.766 639 E HN 0.517 nan 8.360 nan 0.000 0.468 640 E N 0.941 121.119 120.200 -0.036 0.000 2.401 640 E HA -0.104 4.246 4.350 -0.000 0.000 0.199 640 E C 0.282 176.822 176.600 -0.099 0.000 1.023 640 E CA 0.615 56.980 56.400 -0.057 0.000 0.859 640 E CB -0.052 29.604 29.700 -0.072 0.000 0.780 640 E HN 0.230 nan 8.360 nan 0.000 0.523 641 E N 0.766 120.879 120.200 -0.145 0.000 3.351 641 E HA 0.078 4.428 4.350 -0.000 0.000 0.220 641 E C -1.802 174.836 176.600 0.063 0.000 1.150 641 E CA -1.075 55.155 56.400 -0.284 0.000 1.359 641 E CB 0.646 29.861 29.700 -0.808 0.000 1.365 641 E HN 0.162 nan 8.360 nan 0.000 0.434 642 P HA 0.014 nan 4.420 nan 0.000 0.227 642 P C 0.137 177.674 177.300 0.395 0.000 1.161 642 P CA 0.504 63.760 63.100 0.260 0.000 0.788 642 P CB 0.658 32.480 31.700 0.203 0.000 0.822 643 S N -1.929 114.033 115.700 0.437 0.000 2.570 643 S HA 0.325 4.795 4.470 -0.000 0.000 0.270 643 S C 0.488 175.316 174.600 0.380 0.000 1.149 643 S CA -0.337 58.119 58.200 0.427 0.000 0.837 643 S CB 1.627 65.001 63.200 0.289 0.000 1.124 643 S HN -0.155 nan 8.310 nan 0.000 0.465 644 S N 0.378 116.189 115.700 0.186 0.000 2.456 644 S HA 0.340 4.809 4.470 -0.000 0.000 0.224 644 S C 0.806 175.408 174.600 0.003 0.000 1.035 644 S CA 0.646 58.811 58.200 -0.059 0.000 0.940 644 S CB 0.078 63.181 63.200 -0.162 0.000 0.799 644 S HN 0.540 nan 8.310 nan 0.000 0.508 645 S N -0.767 114.970 115.700 0.062 0.000 3.132 645 S HA 0.785 5.255 4.470 -0.000 0.000 0.322 645 S C -1.177 173.516 174.600 0.155 0.000 1.124 645 S CA -0.115 58.163 58.200 0.131 0.000 0.906 645 S CB 1.605 64.882 63.200 0.129 0.000 1.349 645 S HN 0.411 nan 8.310 nan 0.000 0.686 646 S N -0.927 114.859 115.700 0.143 0.000 2.595 646 S HA 0.334 4.804 4.470 -0.000 0.000 0.270 646 S C 0.104 174.700 174.600 -0.007 0.000 1.145 646 S CA -0.001 58.267 58.200 0.112 0.000 0.825 646 S CB 0.801 64.133 63.200 0.220 0.000 1.107 646 S HN 0.682 nan 8.310 nan 0.000 0.461 647 V N 2.093 121.859 119.914 -0.247 0.000 2.913 647 V HA 0.109 4.229 4.120 -0.000 0.000 0.260 647 V C 0.996 176.792 176.094 -0.496 0.000 1.098 647 V CA 1.745 63.756 62.300 -0.483 0.000 1.121 647 V CB -0.885 30.318 31.823 -1.032 0.000 0.714 647 V HN 0.730 nan 8.190 nan 0.000 0.487 648 F N -0.211 119.717 119.950 -0.037 0.000 2.727 648 F HA 0.234 4.761 4.527 -0.000 0.000 0.302 648 F C 1.812 177.598 175.800 -0.024 0.000 1.097 648 F CA 0.188 58.150 58.000 -0.065 0.000 1.330 648 F CB -0.628 38.309 39.000 -0.105 0.000 1.084 648 F HN 0.217 nan 8.300 nan 0.000 0.578 649 N N 0.055 118.832 118.700 0.128 0.000 2.300 649 N HA -0.130 4.609 4.740 -0.000 0.000 0.179 649 N C 1.856 177.404 175.510 0.063 0.000 1.016 649 N CA 0.579 53.691 53.050 0.104 0.000 0.876 649 N CB -0.196 38.371 38.487 0.133 0.000 0.979 649 N HN 0.185 nan 8.380 nan 0.000 0.432 650 Q N 0.928 120.770 119.800 0.071 0.000 2.061 650 Q HA -0.030 4.310 4.340 -0.000 0.000 0.204 650 Q C 0.845 176.859 176.000 0.022 0.000 0.984 650 Q CA 1.627 57.468 55.803 0.064 0.000 0.846 650 Q CB -0.132 28.645 28.738 0.065 0.000 0.902 650 Q HN 0.232 nan 8.270 nan 0.000 0.421 651 N N 0.044 118.768 118.700 0.040 0.000 2.412 651 N HA 0.019 4.759 4.740 -0.000 0.000 0.184 651 N C -0.757 174.865 175.510 0.186 0.000 1.101 651 N CA 0.602 53.701 53.050 0.082 0.000 0.881 651 N CB 0.559 39.072 38.487 0.043 0.000 0.969 651 N HN 0.220 nan 8.380 nan 0.000 0.459 652 D N -0.720 119.764 120.400 0.140 0.000 2.823 652 D HA 0.154 4.794 4.640 -0.000 0.000 0.255 652 D C -2.220 174.094 176.300 0.024 0.000 1.257 652 D CA -1.283 52.859 54.000 0.237 0.000 0.803 652 D CB 1.145 42.154 40.800 0.347 0.000 1.384 652 D HN -0.052 nan 8.370 nan 0.000 0.541 653 P HA 0.012 nan 4.420 nan 0.000 0.229 653 P C 1.454 178.550 177.300 -0.340 0.000 1.160 653 P CA 0.409 63.265 63.100 -0.407 0.000 0.777 653 P CB 0.073 31.389 31.700 -0.640 0.000 0.814 654 W N 0.657 121.945 121.300 -0.021 0.000 2.476 654 W HA 0.255 4.915 4.660 -0.000 0.000 0.281 654 W C 0.846 177.353 176.519 -0.021 0.000 1.230 654 W CA 0.297 57.620 57.345 -0.036 0.000 1.287 654 W CB -0.544 28.898 29.460 -0.030 0.000 1.108 654 W HN -0.057 nan 8.180 nan 0.000 0.567 655 A N 1.824 124.793 122.820 0.249 0.000 2.801 655 A HA 0.453 4.773 4.320 -0.000 0.000 0.344 655 A C -2.486 175.157 177.584 0.098 0.000 1.322 655 A CA -1.280 50.845 52.037 0.147 0.000 0.913 655 A CB -0.345 18.750 19.000 0.157 0.000 1.140 655 A HN -0.264 nan 8.150 nan 0.000 0.487 656 P HA 0.150 nan 4.420 nan 0.000 0.271 656 P C 0.944 178.293 177.300 0.081 0.000 1.220 656 P CA 0.308 63.434 63.100 0.042 0.000 0.768 656 P CB 0.881 32.585 31.700 0.006 0.000 0.848 657 T N 0.741 115.359 114.554 0.106 0.000 2.915 657 T HA 0.044 4.394 4.350 -0.000 0.000 0.269 657 T C 0.758 175.588 174.700 0.216 0.000 1.071 657 T CA 1.016 63.196 62.100 0.133 0.000 1.132 657 T CB 0.029 68.991 68.868 0.157 0.000 0.878 657 T HN 0.202 nan 8.240 nan 0.000 0.479 658 V N 1.576 121.608 119.914 0.198 0.000 2.733 658 V HA 0.424 4.544 4.120 -0.000 0.000 0.306 658 V C -1.491 174.689 176.094 0.143 0.000 1.084 658 V CA -1.283 61.145 62.300 0.214 0.000 0.905 658 V CB 2.327 34.300 31.823 0.249 0.000 1.010 658 V HN 0.155 nan 8.190 nan 0.000 0.424 659 D N 2.984 123.454 120.400 0.116 0.000 2.481 659 D HA 0.228 4.868 4.640 -0.000 0.000 0.246 659 D C 0.358 176.633 176.300 -0.043 0.000 1.109 659 D CA -0.530 53.498 54.000 0.046 0.000 0.845 659 D CB 1.679 42.496 40.800 0.029 0.000 1.160 659 D HN 0.366 nan 8.370 nan 0.000 0.534 660 F N 3.667 123.464 119.950 -0.255 0.000 2.186 660 F HA -0.154 4.373 4.527 -0.000 0.000 0.299 660 F C 2.115 177.640 175.800 -0.457 0.000 1.090 660 F CA 1.775 59.391 58.000 -0.640 0.000 1.307 660 F CB 0.017 38.762 39.000 -0.426 0.000 1.019 660 F HN 0.385 nan 8.300 nan 0.000 0.489 661 S N -0.757 114.845 115.700 -0.162 0.000 2.500 661 S HA -0.171 4.299 4.470 -0.000 0.000 0.239 661 S C 1.411 175.919 174.600 -0.153 0.000 0.989 661 S CA 1.093 59.215 58.200 -0.130 0.000 0.951 661 S CB -0.684 62.578 63.200 0.104 0.000 0.759 661 S HN 0.421 nan 8.310 nan 0.000 0.523 662 D N 1.168 121.510 120.400 -0.097 0.000 2.310 662 D HA 0.050 4.690 4.640 -0.000 0.000 0.212 662 D C 1.215 177.601 176.300 0.143 0.000 0.965 662 D CA 0.704 54.733 54.000 0.049 0.000 0.879 662 D CB -0.345 40.534 40.800 0.132 0.000 0.921 662 D HN 0.595 nan 8.370 nan 0.000 0.510 663 F N 0.098 119.853 119.950 -0.324 0.000 2.416 663 F HA 0.131 4.658 4.527 -0.000 0.000 0.296 663 F C 1.125 176.758 175.800 -0.278 0.000 1.099 663 F CA -0.193 57.618 58.000 -0.314 0.000 1.427 663 F CB 0.341 39.052 39.000 -0.482 0.000 1.079 663 F HN -0.215 nan 8.300 nan 0.000 0.536 664 I N 3.035 123.513 120.570 -0.152 0.000 2.269 664 I HA 0.021 4.191 4.170 -0.000 0.000 0.293 664 I C 0.162 176.235 176.117 -0.074 0.000 1.106 664 I CA -0.008 61.204 61.300 -0.146 0.000 1.248 664 I CB 0.094 37.940 38.000 -0.257 0.000 1.444 664 I HN 0.193 nan 8.210 nan 0.000 0.497 665 N N 5.081 123.752 118.700 -0.049 0.000 2.217 665 N HA 0.015 4.754 4.740 -0.000 0.000 0.239 665 N C 0.064 175.555 175.510 -0.031 0.000 1.330 665 N CA -0.369 52.662 53.050 -0.030 0.000 0.838 665 N CB 0.005 38.480 38.487 -0.019 0.000 1.287 665 N HN 0.490 nan 8.380 nan 0.000 0.498 666 N N 1.044 119.721 118.700 -0.039 0.000 2.771 666 N HA -0.173 4.567 4.740 -0.000 0.000 0.249 666 N C -1.340 174.147 175.510 -0.039 0.000 1.069 666 N CA 0.817 53.844 53.050 -0.038 0.000 0.688 666 N CB -1.004 37.466 38.487 -0.029 0.000 0.928 666 N HN 0.610 nan 8.380 nan 0.000 0.551 667 E N -0.746 119.427 120.200 -0.045 0.000 2.259 667 E HA 0.434 4.784 4.350 -0.000 0.000 0.257 667 E C 0.137 176.701 176.600 -0.061 0.000 0.998 667 E CA -0.860 55.511 56.400 -0.050 0.000 0.866 667 E CB 0.993 30.662 29.700 -0.051 0.000 1.220 667 E HN 0.216 nan 8.360 nan 0.000 0.415 668 T N 0.439 114.951 114.554 -0.071 0.000 2.910 668 T HA 0.341 4.691 4.350 -0.000 0.000 0.293 668 T C 0.452 175.081 174.700 -0.117 0.000 1.015 668 T CA -0.391 61.655 62.100 -0.090 0.000 1.094 668 T CB 0.163 68.974 68.868 -0.095 0.000 0.968 668 T HN 0.488 nan 8.240 nan 0.000 0.521 669 I N 1.395 121.881 120.570 -0.140 0.000 3.658 669 I HA 0.560 4.730 4.170 -0.000 0.000 0.328 669 I C 0.463 176.400 176.117 -0.301 0.000 1.567 669 I CA -0.952 60.242 61.300 -0.177 0.000 1.078 669 I CB 0.245 38.180 38.000 -0.108 0.000 1.267 669 I HN 0.479 nan 8.210 nan 0.000 0.495 670 A N 1.779 124.382 122.820 -0.360 0.000 2.478 670 A HA 0.660 4.980 4.320 -0.000 0.000 0.327 670 A C 1.151 178.078 177.584 -1.095 0.000 1.431 670 A CA 0.193 51.856 52.037 -0.624 0.000 1.014 670 A CB -0.637 18.267 19.000 -0.160 0.000 1.143 670 A HN 1.076 nan 8.150 nan 0.000 0.532 671 G N 1.878 109.428 108.800 -2.083 0.000 2.341 671 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.278 671 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.278 671 G C -0.150 174.251 174.900 -0.831 0.000 1.111 671 G CA 0.174 43.998 45.100 -2.127 0.000 0.982 671 G HN 0.636 nan 8.290 nan 0.000 0.502 672 K N -0.478 119.576 120.400 -0.578 0.000 2.378 672 K HA 0.472 4.792 4.320 -0.000 0.000 0.244 672 K C -0.692 175.796 176.600 -0.187 0.000 1.039 672 K CA -1.000 55.110 56.287 -0.295 0.000 0.863 672 K CB 1.416 33.776 32.500 -0.234 0.000 1.326 672 K HN 0.178 nan 8.250 nan 0.000 0.460 673 D N 1.994 122.326 120.400 -0.113 0.000 2.352 673 D HA 0.202 4.841 4.640 -0.000 0.000 0.245 673 D C -0.442 175.825 176.300 -0.055 0.000 1.224 673 D CA 0.008 53.969 54.000 -0.064 0.000 0.879 673 D CB -0.077 40.691 40.800 -0.054 0.000 1.057 673 D HN 0.272 nan 8.370 nan 0.000 0.491 674 L N 2.807 124.007 121.223 -0.038 0.000 2.358 674 L HA 0.665 5.005 4.340 -0.000 0.000 0.268 674 L C -0.076 176.765 176.870 -0.048 0.000 1.032 674 L CA -1.285 53.535 54.840 -0.033 0.000 0.805 674 L CB 1.791 43.839 42.059 -0.017 0.000 1.253 674 L HN 0.169 nan 8.230 nan 0.000 0.452 675 V N 0.534 120.401 119.914 -0.078 0.000 2.808 675 V HA 0.802 4.922 4.120 -0.000 0.000 0.308 675 V C -0.860 175.064 176.094 -0.283 0.000 1.099 675 V CA -0.317 61.844 62.300 -0.232 0.000 0.920 675 V CB 1.957 33.561 31.823 -0.365 0.000 1.014 675 V HN 0.853 nan 8.190 nan 0.000 0.425 676 A N 5.633 128.250 122.820 -0.339 0.000 2.312 676 A HA 0.870 5.190 4.320 -0.000 0.000 0.326 676 A C -1.530 175.808 177.584 -0.410 0.000 1.172 676 A CA -0.493 51.408 52.037 -0.227 0.000 0.821 676 A CB 0.793 19.714 19.000 -0.131 0.000 1.166 676 A HN 0.916 nan 8.150 nan 0.000 0.493 677 W N 1.676 122.973 121.300 -0.005 0.000 2.538 677 W HA 0.546 5.206 4.660 -0.000 0.000 0.322 677 W C -0.886 175.589 176.519 -0.074 0.000 1.028 677 W CA -0.607 56.669 57.345 -0.114 0.000 1.228 677 W CB 1.894 31.373 29.460 0.031 0.000 1.356 677 W HN 0.393 nan 8.180 nan 0.000 0.452 678 V N 3.415 123.324 119.914 -0.009 0.000 2.409 678 V HA 0.449 4.569 4.120 -0.000 0.000 0.291 678 V C -0.007 176.275 176.094 0.313 0.000 1.020 678 V CA -0.728 61.601 62.300 0.049 0.000 0.848 678 V CB 1.426 33.042 31.823 -0.345 0.000 0.990 678 V HN 0.516 nan 8.190 nan 0.000 0.430 679 T N 4.306 119.113 114.554 0.421 0.000 2.845 679 T HA 0.758 5.108 4.350 -0.000 0.000 0.288 679 T C 0.042 174.986 174.700 0.406 0.000 0.980 679 T CA -0.252 62.145 62.100 0.495 0.000 1.071 679 T CB 1.535 70.675 68.868 0.453 0.000 0.941 679 T HN 0.971 nan 8.240 nan 0.000 0.487 680 A N 1.800 124.901 122.820 0.469 0.000 2.486 680 A HA 0.993 5.313 4.320 -0.000 0.000 0.300 680 A C -0.022 177.836 177.584 0.456 0.000 1.048 680 A CA -0.357 51.928 52.037 0.414 0.000 0.696 680 A CB 1.824 21.094 19.000 0.449 0.000 1.278 680 A HN 1.256 nan 8.150 nan 0.000 0.405 681 G N -0.277 108.746 108.800 0.373 0.000 2.320 681 G HA2 0.697 4.657 3.960 -0.000 0.000 0.296 681 G HA3 0.697 4.657 3.960 -0.000 0.000 0.296 681 G C -1.103 174.065 174.900 0.446 0.000 1.306 681 G CA 0.136 45.479 45.100 0.405 0.000 0.836 681 G HN 1.950 nan 8.290 nan 0.000 0.517 682 F N -2.037 118.020 119.950 0.178 0.000 2.789 682 F HA 0.877 5.404 4.527 -0.000 0.000 0.319 682 F C -1.264 174.597 175.800 0.101 0.000 1.168 682 F CA -1.525 56.563 58.000 0.146 0.000 0.934 682 F CB 1.553 40.624 39.000 0.118 0.000 1.375 682 F HN 0.684 nan 8.300 nan 0.000 0.480 683 L N 1.365 122.729 121.223 0.235 0.000 2.322 683 L HA 0.536 4.876 4.340 -0.000 0.000 0.279 683 L C -1.315 175.646 176.870 0.150 0.000 1.036 683 L CA -0.197 54.686 54.840 0.073 0.000 0.807 683 L CB 1.379 43.466 42.059 0.045 0.000 1.226 683 L HN 0.841 nan 8.230 nan 0.000 0.433 684 H N 5.198 124.149 119.070 -0.199 0.000 2.991 684 H HA 0.462 5.018 4.556 -0.000 0.000 0.304 684 H C -1.109 174.076 175.328 -0.239 0.000 1.040 684 H CA -0.825 55.105 56.048 -0.196 0.000 1.410 684 H CB 0.899 30.441 29.762 -0.368 0.000 1.529 684 H HN 0.666 nan 8.280 nan 0.000 0.509 685 I N 7.807 128.492 120.570 0.191 0.000 2.281 685 I HA 0.182 4.352 4.170 -0.000 0.000 0.293 685 I C -2.138 174.171 176.117 0.319 0.000 1.085 685 I CA -1.901 59.479 61.300 0.133 0.000 1.257 685 I CB 0.736 38.767 38.000 0.051 0.000 1.430 685 I HN 0.442 nan 8.210 nan 0.000 0.489 686 P HA 0.049 nan 4.420 nan 0.000 0.269 686 P C -0.860 176.661 177.300 0.367 0.000 1.217 686 P CA 0.462 63.756 63.100 0.324 0.000 0.783 686 P CB 0.437 32.186 31.700 0.082 0.000 0.898 687 H N -1.746 117.389 119.070 0.108 0.000 2.981 687 H HA 0.462 5.018 4.556 -0.000 0.000 0.327 687 H C 0.295 175.652 175.328 0.048 0.000 1.342 687 H CA -0.830 55.254 56.048 0.060 0.000 1.123 687 H CB 0.329 30.116 29.762 0.042 0.000 1.851 687 H HN 0.342 nan 8.280 nan 0.000 0.531 688 A N 0.292 123.161 122.820 0.081 0.000 2.070 688 A HA -0.143 4.177 4.320 -0.000 0.000 0.220 688 A C 1.245 178.791 177.584 -0.063 0.000 1.159 688 A CA 1.720 53.762 52.037 0.009 0.000 0.656 688 A CB -0.644 18.377 19.000 0.036 0.000 0.800 688 A HN 0.673 nan 8.150 nan 0.000 0.453 689 E N 0.313 120.435 120.200 -0.130 0.000 2.445 689 E HA 0.029 4.379 4.350 -0.000 0.000 0.189 689 E C 0.250 176.713 176.600 -0.228 0.000 1.069 689 E CA 0.233 56.548 56.400 -0.141 0.000 0.871 689 E CB 0.130 29.792 29.700 -0.062 0.000 0.991 689 E HN 0.447 nan 8.360 nan 0.000 0.481 690 D N -0.177 120.056 120.400 -0.278 0.000 2.349 690 D HA 0.037 4.677 4.640 -0.000 0.000 0.214 690 D C -0.044 176.178 176.300 -0.130 0.000 1.063 690 D CA 0.225 54.105 54.000 -0.200 0.000 0.847 690 D CB 0.584 41.293 40.800 -0.152 0.000 0.933 690 D HN 0.107 nan 8.370 nan 0.000 0.513 691 I N 2.458 122.967 120.570 -0.102 0.000 2.354 691 I HA 0.153 4.323 4.170 -0.000 0.000 0.292 691 I C -1.272 174.805 176.117 -0.068 0.000 0.989 691 I CA -2.121 59.140 61.300 -0.066 0.000 1.188 691 I CB 1.518 39.506 38.000 -0.020 0.000 1.342 691 I HN -0.247 nan 8.210 nan 0.000 0.457 692 P HA 0.031 nan 4.420 nan 0.000 0.224 692 P C 0.059 177.126 177.300 -0.388 0.000 1.157 692 P CA 0.776 63.793 63.100 -0.140 0.000 0.799 692 P CB 0.711 32.348 31.700 -0.105 0.000 0.809 693 N N -0.695 117.801 118.700 -0.340 0.000 2.292 693 N HA 0.201 4.941 4.740 -0.000 0.000 0.303 693 N C -0.497 174.886 175.510 -0.211 0.000 1.140 693 N CA -0.318 52.514 53.050 -0.364 0.000 0.788 693 N CB 1.009 39.272 38.487 -0.374 0.000 1.361 693 N HN -0.238 nan 8.380 nan 0.000 0.489 694 T N 0.559 115.013 114.554 -0.166 0.000 2.928 694 T HA 0.249 4.598 4.350 -0.000 0.000 0.305 694 T C 0.488 175.115 174.700 -0.121 0.000 1.035 694 T CA -0.232 61.808 62.100 -0.100 0.000 1.145 694 T CB 0.182 69.053 68.868 0.004 0.000 0.963 694 T HN 0.218 nan 8.240 nan 0.000 0.545 695 V N 1.921 121.766 119.914 -0.115 0.000 2.850 695 V HA 0.477 4.597 4.120 -0.000 0.000 0.315 695 V C 1.537 177.568 176.094 -0.105 0.000 1.064 695 V CA -0.647 61.585 62.300 -0.113 0.000 0.979 695 V CB 1.148 32.910 31.823 -0.102 0.000 1.039 695 V HN 1.003 nan 8.190 nan 0.000 0.452 696 T N -0.966 113.528 114.554 -0.100 0.000 2.896 696 T HA -0.006 4.344 4.350 -0.000 0.000 0.263 696 T C 0.765 175.453 174.700 -0.021 0.000 1.050 696 T CA 0.488 62.556 62.100 -0.053 0.000 1.140 696 T CB -0.326 68.443 68.868 -0.164 0.000 0.877 696 T HN 0.490 nan 8.240 nan 0.000 0.457 697 V N 2.954 122.833 119.914 -0.058 0.000 2.621 697 V HA 0.293 4.412 4.120 -0.000 0.000 0.300 697 V C 1.880 177.914 176.094 -0.099 0.000 1.031 697 V CA 1.195 63.462 62.300 -0.056 0.000 1.210 697 V CB -0.963 30.820 31.823 -0.065 0.000 0.864 697 V HN 0.971 nan 8.190 nan 0.000 0.477 698 G N 4.079 112.828 108.800 -0.086 0.000 2.234 698 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.260 698 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.260 698 G C 0.557 175.303 174.900 -0.257 0.000 0.987 698 G CA 0.578 45.585 45.100 -0.156 0.000 0.625 698 G HN 0.729 nan 8.290 nan 0.000 0.532 699 N N 1.098 119.623 118.700 -0.291 0.000 2.322 699 N HA 0.334 5.073 4.740 -0.000 0.000 0.194 699 N C 1.280 176.490 175.510 -0.500 0.000 1.126 699 N CA 0.057 52.786 53.050 -0.535 0.000 0.845 699 N CB 0.356 38.522 38.487 -0.534 0.000 0.976 699 N HN 0.521 nan 8.380 nan 0.000 0.475 700 G N 1.538 110.098 108.800 -0.399 0.000 2.313 700 G HA2 0.327 4.287 3.960 -0.000 0.000 0.250 700 G HA3 0.327 4.287 3.960 -0.000 0.000 0.250 700 G C 0.078 174.714 174.900 -0.441 0.000 1.281 700 G CA -0.063 44.600 45.100 -0.729 0.000 0.917 700 G HN 0.049 nan 8.290 nan 0.000 0.501 701 V N 0.949 120.585 119.914 -0.463 0.000 3.007 701 V HA 1.063 5.183 4.120 -0.000 0.000 0.311 701 V C 0.418 176.410 176.094 -0.170 0.000 1.120 701 V CA 0.114 62.278 62.300 -0.228 0.000 0.980 701 V CB 1.417 33.213 31.823 -0.044 0.000 1.033 701 V HN 1.801 nan 8.190 nan 0.000 0.429 702 G N 1.936 110.648 108.800 -0.146 0.000 2.564 702 G HA2 0.568 4.528 3.960 -0.000 0.000 0.139 702 G HA3 0.568 4.528 3.960 -0.000 0.000 0.139 702 G C -1.315 173.485 174.900 -0.166 0.000 1.147 702 G CA 0.156 45.103 45.100 -0.256 0.000 1.031 702 G HN 2.105 nan 8.290 nan 0.000 0.482 703 F N -2.044 117.638 119.950 -0.447 0.000 2.773 703 F HA 0.841 5.368 4.527 -0.000 0.000 0.314 703 F C -1.718 173.783 175.800 -0.499 0.000 1.160 703 F CA -1.846 55.952 58.000 -0.337 0.000 0.920 703 F CB 1.079 39.950 39.000 -0.215 0.000 1.323 703 F HN 0.445 nan 8.300 nan 0.000 0.457 704 F N 1.807 121.776 119.950 0.032 0.000 2.480 704 F HA 0.695 5.222 4.527 -0.000 0.000 0.329 704 F C -0.520 175.355 175.800 0.125 0.000 1.091 704 F CA -0.873 57.115 58.000 -0.019 0.000 0.972 704 F CB 2.020 40.975 39.000 -0.076 0.000 1.150 704 F HN 0.316 nan 8.300 nan 0.000 0.467 705 L N 4.814 126.226 121.223 0.316 0.000 2.294 705 L HA 0.568 4.908 4.340 -0.000 0.000 0.283 705 L C -0.422 176.689 176.870 0.401 0.000 1.015 705 L CA -0.553 54.495 54.840 0.345 0.000 0.831 705 L CB 1.139 43.362 42.059 0.272 0.000 1.217 705 L HN 0.539 nan 8.230 nan 0.000 0.420 706 R N 3.872 124.533 120.500 0.268 0.000 2.513 706 R HA 0.429 4.769 4.340 -0.000 0.000 0.301 706 R C -2.648 173.409 176.300 -0.405 0.000 0.968 706 R CA -2.008 54.097 56.100 0.010 0.000 0.872 706 R CB 2.592 32.879 30.300 -0.022 0.000 1.177 706 R HN 0.209 nan 8.270 nan 0.000 0.444 707 P HA -0.079 nan 4.420 nan 0.000 0.265 707 P C -1.145 176.031 177.300 -0.206 0.000 1.193 707 P CA 0.293 62.941 63.100 -0.754 0.000 0.765 707 P CB 0.249 31.831 31.700 -0.197 0.000 0.823 708 Y N 3.698 123.813 120.300 -0.309 0.000 2.535 708 Y HA 0.234 4.784 4.550 -0.000 0.000 0.341 708 Y C 0.279 176.069 175.900 -0.184 0.000 1.041 708 Y CA -0.512 57.440 58.100 -0.247 0.000 1.307 708 Y CB -0.111 38.108 38.460 -0.400 0.000 1.095 708 Y HN 0.423 nan 8.280 nan 0.000 0.534 709 N N 3.217 121.717 118.700 -0.333 0.000 2.741 709 N HA -0.321 4.419 4.740 -0.000 0.000 0.250 709 N C 0.648 176.137 175.510 -0.034 0.000 1.115 709 N CA 1.527 54.452 53.050 -0.209 0.000 0.724 709 N CB -1.535 36.717 38.487 -0.392 0.000 1.090 709 N HN 0.743 nan 8.380 nan 0.000 0.558 710 F N 0.092 119.955 119.950 -0.145 0.000 2.219 710 F HA 0.192 4.719 4.527 -0.000 0.000 0.294 710 F C 0.837 176.460 175.800 -0.296 0.000 1.086 710 F CA 0.646 58.522 58.000 -0.206 0.000 1.330 710 F CB 0.167 38.992 39.000 -0.292 0.000 1.047 710 F HN -0.054 nan 8.300 nan 0.000 0.495 711 F N 0.684 120.754 119.950 0.199 0.000 2.364 711 F HA 0.244 4.771 4.527 -0.000 0.000 0.316 711 F C 1.358 177.184 175.800 0.042 0.000 1.133 711 F CA -0.708 57.347 58.000 0.091 0.000 1.051 711 F CB 0.122 39.237 39.000 0.192 0.000 1.342 711 F HN -0.269 nan 8.300 nan 0.000 0.507 712 D N -0.668 119.886 120.400 0.257 0.000 2.333 712 D HA 0.037 4.677 4.640 -0.000 0.000 0.208 712 D C 0.066 176.562 176.300 0.327 0.000 0.984 712 D CA 0.755 54.855 54.000 0.168 0.000 0.873 712 D CB 0.186 40.974 40.800 -0.019 0.000 0.935 712 D HN 0.635 nan 8.370 nan 0.000 0.521 713 E N -0.432 119.928 120.200 0.267 0.000 2.422 713 E HA 0.121 4.471 4.350 -0.000 0.000 0.280 713 E C -1.468 175.191 176.600 0.099 0.000 1.091 713 E CA -0.791 55.702 56.400 0.154 0.000 0.849 713 E CB 0.768 30.499 29.700 0.051 0.000 1.353 713 E HN -0.275 nan 8.360 nan 0.000 0.449 714 D N 1.583 121.999 120.400 0.026 0.000 2.502 714 D HA 0.040 4.680 4.640 -0.000 0.000 0.249 714 D C -1.537 174.779 176.300 0.027 0.000 1.188 714 D CA -1.344 52.650 54.000 -0.009 0.000 0.890 714 D CB 1.095 41.901 40.800 0.011 0.000 1.140 714 D HN 0.145 nan 8.370 nan 0.000 0.505 715 P HA -0.104 nan 4.420 nan 0.000 0.223 715 P C 1.178 178.588 177.300 0.183 0.000 1.151 715 P CA 0.774 63.909 63.100 0.059 0.000 0.787 715 P CB 0.053 31.672 31.700 -0.135 0.000 0.788 716 S N -1.241 114.520 115.700 0.102 0.000 2.474 716 S HA -0.167 4.303 4.470 -0.000 0.000 0.235 716 S C 1.810 176.441 174.600 0.053 0.000 0.997 716 S CA 0.218 58.476 58.200 0.096 0.000 0.949 716 S CB -1.658 61.589 63.200 0.078 0.000 0.766 716 S HN 0.052 nan 8.310 nan 0.000 0.517 717 F N 2.230 122.111 119.950 -0.115 0.000 2.147 717 F HA -0.140 4.386 4.527 -0.000 0.000 0.301 717 F C 1.067 176.652 175.800 -0.358 0.000 1.084 717 F CA 1.309 59.136 58.000 -0.288 0.000 1.268 717 F CB -0.468 38.269 39.000 -0.437 0.000 1.009 717 F HN 0.260 nan 8.300 nan 0.000 0.486 718 Y N 0.214 120.487 120.300 -0.046 0.000 2.596 718 Y HA 0.241 4.791 4.550 -0.000 0.000 0.316 718 Y C 1.064 176.907 175.900 -0.095 0.000 1.156 718 Y CA -0.067 57.966 58.100 -0.112 0.000 1.300 718 Y CB -0.816 37.657 38.460 0.023 0.000 1.130 718 Y HN -0.079 nan 8.280 nan 0.000 0.518 719 S N 0.456 116.146 115.700 -0.016 0.000 2.548 719 S HA 0.404 4.874 4.470 -0.000 0.000 0.277 719 S C 1.513 176.108 174.600 -0.007 0.000 1.315 719 S CA 0.067 58.275 58.200 0.013 0.000 1.050 719 S CB 1.039 64.249 63.200 0.018 0.000 0.918 719 S HN 0.517 nan 8.310 nan 0.000 0.497 720 A N 3.739 126.569 122.820 0.015 0.000 2.019 720 A HA -0.029 4.291 4.320 -0.000 0.000 0.219 720 A C 1.309 178.907 177.584 0.022 0.000 1.164 720 A CA 1.522 53.567 52.037 0.014 0.000 0.644 720 A CB -0.342 18.670 19.000 0.019 0.000 0.805 720 A HN 0.864 nan 8.150 nan 0.000 0.449 721 D N -0.423 119.997 120.400 0.035 0.000 2.340 721 D HA 0.152 4.792 4.640 -0.000 0.000 0.217 721 D C 0.495 176.828 176.300 0.054 0.000 1.081 721 D CA 0.111 54.142 54.000 0.051 0.000 0.842 721 D CB -0.066 40.774 40.800 0.066 0.000 0.934 721 D HN 0.213 nan 8.370 nan 0.000 0.511 722 S N 0.287 116.001 115.700 0.023 0.000 2.559 722 S HA 0.158 4.628 4.470 -0.000 0.000 0.282 722 S C 0.151 174.784 174.600 0.055 0.000 1.336 722 S CA 0.144 58.349 58.200 0.007 0.000 1.037 722 S CB 0.382 63.535 63.200 -0.079 0.000 0.853 722 S HN 0.102 nan 8.310 nan 0.000 0.523 723 I N 3.079 123.700 120.570 0.085 0.000 2.534 723 I HA 0.355 4.525 4.170 -0.000 0.000 0.288 723 I C -1.498 174.716 176.117 0.161 0.000 1.077 723 I CA -0.621 60.780 61.300 0.168 0.000 1.051 723 I CB 1.936 40.087 38.000 0.251 0.000 1.234 723 I HN 0.688 nan 8.210 nan 0.000 0.425 724 Y N 8.115 128.438 120.300 0.039 0.000 2.470 724 Y HA 0.703 5.253 4.550 -0.000 0.000 0.341 724 Y C -1.514 174.447 175.900 0.101 0.000 1.021 724 Y CA -0.983 57.087 58.100 -0.050 0.000 1.025 724 Y CB 1.743 40.180 38.460 -0.039 0.000 1.266 724 Y HN 0.409 nan 8.280 nan 0.000 0.448 725 F N 2.349 122.045 119.950 -0.424 0.000 2.693 725 F HA 0.717 5.244 4.527 -0.000 0.000 0.309 725 F C -1.421 174.095 175.800 -0.474 0.000 1.129 725 F CA -1.457 56.333 58.000 -0.350 0.000 0.948 725 F CB 1.293 40.242 39.000 -0.086 0.000 1.315 725 F HN 0.395 nan 8.300 nan 0.000 0.447 726 R N 0.008 120.526 120.500 0.030 0.000 2.758 726 R HA 0.560 4.900 4.340 -0.000 0.000 0.265 726 R C 1.185 177.575 176.300 0.151 0.000 1.016 726 R CA -0.360 55.781 56.100 0.067 0.000 1.040 726 R CB 1.678 32.042 30.300 0.107 0.000 1.152 726 R HN 1.057 nan 8.270 nan 0.000 0.503 727 G N 0.724 109.610 108.800 0.143 0.000 2.446 727 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.217 727 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.217 727 G C 0.666 175.592 174.900 0.043 0.000 1.168 727 G CA 1.202 46.346 45.100 0.073 0.000 0.771 727 G HN 0.794 nan 8.290 nan 0.000 0.551 728 D N 0.011 120.456 120.400 0.074 0.000 2.348 728 D HA 0.063 4.702 4.640 -0.000 0.000 0.248 728 D C 0.884 177.209 176.300 0.041 0.000 1.142 728 D CA 0.197 54.229 54.000 0.053 0.000 0.904 728 D CB -0.147 40.693 40.800 0.067 0.000 0.901 728 D HN 0.395 nan 8.370 nan 0.000 0.523 729 Q N -0.526 119.296 119.800 0.038 0.000 2.359 729 Q HA 0.272 4.612 4.340 -0.000 0.000 0.275 729 Q C -0.951 175.026 176.000 -0.037 0.000 1.082 729 Q CA -1.028 54.788 55.803 0.021 0.000 0.849 729 Q CB 1.361 30.136 28.738 0.061 0.000 1.377 729 Q HN -0.046 nan 8.270 nan 0.000 0.452 730 D N 0.539 120.910 120.400 -0.048 0.000 2.402 730 D HA 0.185 4.825 4.640 -0.000 0.000 0.235 730 D C 0.252 176.455 176.300 -0.163 0.000 1.226 730 D CA 0.020 53.965 54.000 -0.092 0.000 0.918 730 D CB 1.070 41.835 40.800 -0.058 0.000 1.043 730 D HN 0.667 nan 8.370 nan 0.000 0.506 731 A N 2.894 125.532 122.820 -0.303 0.000 2.067 731 A HA 0.022 4.342 4.320 -0.000 0.000 0.219 731 A C 1.789 179.124 177.584 -0.415 0.000 1.158 731 A CA 1.236 52.909 52.037 -0.606 0.000 0.661 731 A CB 0.042 18.441 19.000 -1.001 0.000 0.801 731 A HN 0.545 nan 8.150 nan 0.000 0.452 732 G N -1.329 107.323 108.800 -0.247 0.000 3.337 732 G HA2 0.461 4.421 3.960 -0.000 0.000 0.246 732 G HA3 0.461 4.421 3.960 -0.000 0.000 0.246 732 G C 0.379 175.223 174.900 -0.094 0.000 1.131 732 G CA 0.572 45.577 45.100 -0.157 0.000 0.773 732 G HN 0.687 nan 8.290 nan 0.000 0.544 733 A N -0.700 122.070 122.820 -0.084 0.000 2.309 733 A HA 0.450 4.769 4.320 -0.000 0.000 0.298 733 A C 1.315 178.887 177.584 -0.020 0.000 1.165 733 A CA -0.299 51.713 52.037 -0.042 0.000 0.821 733 A CB 0.801 19.782 19.000 -0.032 0.000 1.102 733 A HN 0.267 nan 8.150 nan 0.000 0.500 734 c N 1.472 120.069 118.600 -0.006 0.000 2.435 734 c HA -0.052 4.518 4.570 -0.000 0.000 0.279 734 c C 2.067 176.172 174.090 0.024 0.000 1.321 734 c CA 1.340 57.675 56.329 0.010 0.000 1.752 734 c CB -1.338 41.178 42.510 0.011 0.000 1.959 734 c HN 0.900 nan 8.230 nan 0.000 0.500 735 E N 0.259 120.472 120.200 0.023 0.000 2.409 735 E HA -0.100 4.250 4.350 -0.000 0.000 0.198 735 E C 1.692 178.323 176.600 0.051 0.000 1.024 735 E CA 1.098 57.518 56.400 0.033 0.000 0.861 735 E CB -0.061 29.656 29.700 0.028 0.000 0.788 735 E HN 0.645 nan 8.360 nan 0.000 0.521 736 V N 0.368 120.315 119.914 0.055 0.000 3.523 736 V HA 0.082 4.202 4.120 -0.000 0.000 0.255 736 V C 0.521 176.697 176.094 0.138 0.000 1.226 736 V CA 0.020 62.375 62.300 0.092 0.000 1.092 736 V CB 0.103 31.965 31.823 0.065 0.000 0.817 736 V HN 0.176 nan 8.190 nan 0.000 0.458 737 N N 0.077 118.838 118.700 0.101 0.000 2.599 737 N HA 0.257 4.997 4.740 -0.000 0.000 0.283 737 N C -2.588 172.974 175.510 0.087 0.000 1.160 737 N CA -1.067 52.062 53.050 0.131 0.000 0.869 737 N CB 2.522 41.058 38.487 0.082 0.000 1.448 737 N HN -0.140 nan 8.380 nan 0.000 0.535 738 P HA -0.053 nan 4.420 nan 0.000 0.218 738 P C 1.469 178.805 177.300 0.061 0.000 1.146 738 P CA 0.947 64.090 63.100 0.070 0.000 0.813 738 P CB 0.483 32.227 31.700 0.074 0.000 0.778 739 L N -1.495 119.772 121.223 0.074 0.000 2.291 739 L HA -0.038 4.302 4.340 -0.000 0.000 0.214 739 L C 1.812 178.699 176.870 0.029 0.000 1.120 739 L CA 0.663 55.537 54.840 0.057 0.000 0.799 739 L CB -0.822 41.282 42.059 0.074 0.000 0.925 739 L HN -0.080 nan 8.230 nan 0.000 0.446 740 A N -0.636 122.194 122.820 0.016 0.000 2.324 740 A HA 0.228 4.548 4.320 -0.000 0.000 0.240 740 A C 0.314 177.902 177.584 0.006 0.000 1.347 740 A CA -0.206 51.829 52.037 -0.004 0.000 1.036 740 A CB -1.220 17.765 19.000 -0.026 0.000 0.917 740 A HN 0.491 nan 8.150 nan 0.000 0.519 748 C N 0.382 119.687 119.300 0.007 0.000 3.354 748 C HA 0.654 5.114 4.460 -0.000 0.000 0.314 748 C C 1.438 176.401 174.990 -0.045 0.000 1.019 748 C CA 0.025 59.032 59.018 -0.019 0.000 1.293 748 C CB -0.717 27.011 27.740 -0.020 0.000 1.747 748 C HN 1.822 nan 8.230 nan 0.000 0.580 749 A N 5.561 128.336 122.820 -0.075 0.000 2.947 749 A HA -0.022 4.298 4.320 -0.000 0.000 0.212 749 A C -1.723 175.774 177.584 -0.146 0.000 0.963 749 A CA 1.323 53.288 52.037 -0.121 0.000 1.102 749 A CB -1.891 16.907 19.000 -0.337 0.000 0.676 749 A HN 0.685 nan 8.150 nan 0.000 0.518 750 P HA 0.232 nan 4.420 nan 0.000 0.270 750 P C -1.128 176.143 177.300 -0.048 0.000 1.242 750 P CA 0.009 63.029 63.100 -0.133 0.000 0.768 750 P CB 0.430 31.999 31.700 -0.218 0.000 0.820 751 D N 4.019 124.434 120.400 0.026 0.000 2.396 751 D HA 0.201 4.841 4.640 -0.000 0.000 0.225 751 D C -0.425 175.925 176.300 0.084 0.000 1.121 751 D CA -0.216 53.808 54.000 0.040 0.000 0.853 751 D CB 0.588 41.414 40.800 0.044 0.000 1.043 751 D HN 0.252 nan 8.370 nan 0.000 0.500 752 L N 4.436 125.715 121.223 0.092 0.000 2.334 752 L HA 0.378 4.718 4.340 -0.000 0.000 0.277 752 L C -1.725 175.268 176.870 0.204 0.000 1.075 752 L CA -1.791 53.161 54.840 0.187 0.000 0.804 752 L CB 0.753 42.925 42.059 0.188 0.000 1.174 752 L HN 0.210 nan 8.230 nan 0.000 0.438 753 P HA 0.061 nan 4.420 nan 0.000 0.264 753 P C -0.501 176.949 177.300 0.249 0.000 1.183 753 P CA -0.212 62.998 63.100 0.185 0.000 0.763 753 P CB 0.532 32.304 31.700 0.119 0.000 0.807 754 A N 3.727 126.654 122.820 0.178 0.000 2.511 754 A HA 0.162 4.482 4.320 -0.000 0.000 0.242 754 A C 0.015 177.747 177.584 0.247 0.000 1.069 754 A CA -0.328 51.831 52.037 0.204 0.000 0.763 754 A CB -0.567 18.515 19.000 0.136 0.000 1.001 754 A HN 0.585 nan 8.150 nan 0.000 0.498 755 F N 3.622 123.681 119.950 0.181 0.000 2.572 755 F HA 0.369 4.896 4.527 -0.000 0.000 0.370 755 F C 0.866 176.711 175.800 0.074 0.000 1.103 755 F CA 1.195 59.292 58.000 0.163 0.000 1.286 755 F CB 0.569 39.681 39.000 0.187 0.000 1.105 755 F HN 0.679 nan 8.300 nan 0.000 0.583 756 S N 5.506 120.843 115.700 -0.605 0.000 2.671 756 S HA 0.493 4.963 4.470 -0.000 0.000 0.299 756 S C -1.402 172.786 174.600 -0.686 0.000 1.116 756 S CA -0.770 57.175 58.200 -0.424 0.000 0.912 756 S CB 1.802 64.870 63.200 -0.220 0.000 1.130 756 S HN 0.913 nan 8.310 nan 0.000 0.501 757 H N -1.041 117.799 119.070 -0.384 0.000 2.806 757 H HA 0.407 4.963 4.556 -0.000 0.000 0.367 757 H C 1.049 176.250 175.328 -0.213 0.000 1.136 757 H CA -0.477 55.383 56.048 -0.314 0.000 1.178 757 H CB 1.817 31.515 29.762 -0.106 0.000 1.718 757 H HN 0.908 nan 8.280 nan 0.000 0.540 758 G N 2.320 110.708 108.800 -0.687 0.000 2.625 758 G HA2 0.224 4.184 3.960 -0.000 0.000 0.214 758 G HA3 0.224 4.184 3.960 -0.000 0.000 0.214 758 G C 0.800 175.342 174.900 -0.597 0.000 1.132 758 G CA 0.724 45.499 45.100 -0.542 0.000 0.782 758 G HN 1.052 nan 8.290 nan 0.000 0.538 759 G N -1.104 107.146 108.800 -0.917 0.000 2.642 759 G HA2 -0.063 3.897 3.960 -0.000 0.000 0.231 759 G HA3 -0.063 3.897 3.960 -0.000 0.000 0.231 759 G C -0.271 174.174 174.900 -0.757 0.000 1.338 759 G CA -0.217 44.553 45.100 -0.550 0.000 0.883 759 G HN 0.475 nan 8.290 nan 0.000 0.570 760 F N -0.387 119.548 119.950 -0.025 0.000 2.764 760 F HA 0.744 5.271 4.527 -0.000 0.000 0.347 760 F C 1.104 176.915 175.800 0.019 0.000 1.151 760 F CA -0.208 57.802 58.000 0.016 0.000 1.021 760 F CB 1.145 40.179 39.000 0.057 0.000 1.438 760 F HN 0.613 nan 8.300 nan 0.000 0.516 761 S N 0.000 115.836 115.700 0.226 0.000 2.498 761 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 761 S CA 0.000 58.274 58.200 0.123 0.000 1.107 761 S CB 0.000 63.251 63.200 0.085 0.000 0.593 761 S HN 0.000 nan 8.310 nan 0.000 0.517