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 3nw8_1_C DATA FIRST_RESID 104 DATA SEQUENCE IKAENTDANF YVcPPPTGAT VVQFEQPRRc PTRPEGQNYT EGIAVVFKEN DATA SEQUENCE IAPYKFKATM YYKDVTVSQV WFGHRSSQFM GIFEDRAPVP FEEVIDKINA DATA SEQUENCE KGVcRSTAKY VRNNLETTAF HRDDHETDME LKPANAATRT SRGWHTTDLK DATA SEQUENCE YNPSRVEAFH RYGTTVNcIV EEVDARSVYP YDEFVLATGD FVYMSPFYGY DATA SEQUENCE REGSHTEHTS YAADRFKQVD GFYARDLTTK ARATAPTTRN LLTTPKFTVA DATA SEQUENCE WDWVPKRPSV cTMTKWQEVD EMLRSEYGGS FRFSSDAIST TFTTNLTEYP DATA SEQUENCE LSRVDLGDcI GKDARDAMDR IFARRYNATH IKVGQPQYYL ANGGFLIAYQ DATA SEQUENCE PLLSNTLAEL YVREHLREQS RKXXXXXXXX XXXXXXXXVE RIKTTSSIEF DATA SEQUENCE ARLQFTYNHI QRHVNDMLGR VAIAWcELQN HELTLWNEAR KLNPNAIASV DATA SEQUENCE TVGRRVSARM LGDVMAVSTc VPVAADNVIV QNSMRISSRP GAcYSRPLVS DATA SEQUENCE FRYEDQGPLV EGQLGENNEL RLTRDAIEPc TVGHRRYFTF GGGYVYFEEY DATA SEQUENCE AYSHQLSRAD ITTVSTFIDL NITMLEDHEF VPLEVYTRHE IKDSGLLDYT DATA SEQUENCE EVQRRNQLHD LRFADIDTVI H 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 104 I HA 0.000 nan 4.170 nan 0.000 0.288 104 I C 0.000 176.145 176.117 0.047 0.000 1.063 104 I CA 0.000 61.267 61.300 -0.056 0.000 1.566 104 I CB 0.000 37.884 38.000 -0.194 0.000 1.214 105 K N 2.961 123.417 120.400 0.093 0.000 2.731 105 K HA 0.783 5.159 4.320 0.092 0.000 0.284 105 K C 0.046 176.816 176.600 0.283 0.000 1.027 105 K CA -0.575 55.798 56.287 0.143 0.000 1.040 105 K CB 0.868 33.419 32.500 0.084 0.000 1.334 105 K HN 0.685 nan 8.250 nan 0.000 0.498 106 A N 0.791 123.731 122.820 0.200 0.000 2.287 106 A HA 0.209 4.584 4.320 0.092 0.000 0.317 106 A C 0.971 178.634 177.584 0.132 0.000 1.220 106 A CA -0.430 51.722 52.037 0.192 0.000 0.835 106 A CB 0.891 19.826 19.000 -0.109 0.000 1.180 106 A HN 0.757 nan 8.150 nan 0.000 0.500 107 E N 2.654 122.956 120.200 0.171 0.000 2.015 107 E HA -0.163 4.242 4.350 0.092 0.000 0.191 107 E C -0.064 176.585 176.600 0.081 0.000 0.991 107 E CA 1.226 57.702 56.400 0.125 0.000 0.802 107 E CB -0.113 29.677 29.700 0.149 0.000 0.759 107 E HN 0.795 nan 8.360 nan 0.000 0.447 108 N N 0.896 119.640 118.700 0.073 0.000 2.605 108 N HA -0.035 4.760 4.740 0.092 0.000 0.282 108 N C -0.079 175.431 175.510 0.000 0.000 1.206 108 N CA 0.168 53.236 53.050 0.029 0.000 1.074 108 N CB 0.725 39.219 38.487 0.012 0.000 1.434 108 N HN 0.038 nan 8.380 nan 0.000 0.506 109 T N -0.080 114.481 114.554 0.011 0.000 3.163 109 T HA -0.121 4.284 4.350 0.092 0.000 0.260 109 T C 0.336 175.028 174.700 -0.014 0.000 1.156 109 T CA 0.295 62.398 62.100 0.005 0.000 1.072 109 T CB -0.295 68.582 68.868 0.015 0.000 0.937 109 T HN 0.457 nan 8.240 nan 0.000 0.528 110 D N 1.237 121.622 120.400 -0.025 0.000 3.085 110 D HA 0.485 5.181 4.640 0.092 0.000 0.243 110 D C -0.015 176.246 176.300 -0.065 0.000 1.232 110 D CA -0.258 53.722 54.000 -0.033 0.000 0.913 110 D CB -0.431 40.355 40.800 -0.022 0.000 1.108 110 D HN 0.411 nan 8.370 nan 0.000 0.468 111 A N 0.435 123.201 122.820 -0.090 0.000 2.586 111 A HA 0.603 4.978 4.320 0.092 0.000 0.290 111 A C -1.308 176.167 177.584 -0.182 0.000 1.086 111 A CA -1.012 50.931 52.037 -0.158 0.000 0.665 111 A CB 1.167 20.013 19.000 -0.256 0.000 1.279 111 A HN 0.132 nan 8.150 nan 0.000 0.423 112 N N -0.809 117.750 118.700 -0.235 0.000 2.402 112 N HA 0.855 5.651 4.740 0.092 0.000 0.294 112 N C -1.526 173.732 175.510 -0.420 0.000 1.203 112 N CA -0.198 52.721 53.050 -0.219 0.000 0.838 112 N CB 0.974 39.370 38.487 -0.151 0.000 1.306 112 N HN 0.455 nan 8.380 nan 0.000 0.510 113 F N 0.298 120.113 119.950 -0.226 0.000 2.561 113 F HA 0.521 5.103 4.527 0.092 0.000 0.321 113 F C -0.613 174.997 175.800 -0.317 0.000 1.065 113 F CA -0.526 57.376 58.000 -0.163 0.000 0.934 113 F CB 1.314 40.200 39.000 -0.190 0.000 1.215 113 F HN 0.287 nan 8.300 nan 0.000 0.471 114 Y N 0.201 120.544 120.300 0.071 0.000 2.545 114 Y HA 0.669 5.274 4.550 0.092 0.000 0.348 114 Y C -0.862 175.020 175.900 -0.030 0.000 1.002 114 Y CA -1.212 56.896 58.100 0.013 0.000 1.039 114 Y CB 2.200 40.666 38.460 0.010 0.000 1.271 114 Y HN 0.170 nan 8.280 nan 0.000 0.467 115 V N 2.206 122.200 119.914 0.133 0.000 2.304 115 V HA 0.251 4.426 4.120 0.092 0.000 0.278 115 V C -0.958 175.217 176.094 0.135 0.000 1.018 115 V CA -0.791 61.554 62.300 0.075 0.000 0.814 115 V CB 0.684 32.540 31.823 0.055 0.000 1.021 115 V HN 0.848 nan 8.190 nan 0.000 0.440 116 c N 7.425 126.092 118.600 0.112 0.000 2.225 116 c HA 0.514 5.139 4.570 0.092 0.000 0.323 116 c C -2.013 172.122 174.090 0.076 0.000 1.164 116 c CA -1.280 55.104 56.329 0.092 0.000 1.565 116 c CB 0.278 42.828 42.510 0.066 0.000 2.124 116 c HN 0.616 nan 8.230 nan 0.000 0.461 117 P HA 0.315 nan 4.420 nan 0.000 0.277 117 P C -2.647 174.682 177.300 0.048 0.000 1.240 117 P CA -1.491 61.649 63.100 0.065 0.000 0.798 117 P CB -0.069 31.671 31.700 0.067 0.000 0.979 118 P HA 0.061 nan 4.420 nan 0.000 0.258 118 P C -2.186 175.130 177.300 0.026 0.000 1.172 118 P CA -0.233 62.886 63.100 0.031 0.000 0.762 118 P CB -0.871 30.847 31.700 0.029 0.000 0.764 119 P HA 0.323 nan 4.420 nan 0.000 0.286 119 P C -0.120 177.187 177.300 0.012 0.000 1.293 119 P CA -0.081 63.029 63.100 0.017 0.000 0.770 119 P CB 0.654 32.361 31.700 0.012 0.000 1.206 120 T N -3.157 111.402 114.554 0.008 0.000 2.653 120 T HA 0.458 4.863 4.350 0.092 0.000 0.306 120 T C 1.054 175.756 174.700 0.002 0.000 1.426 120 T CA 0.017 62.121 62.100 0.005 0.000 1.008 120 T CB -0.009 68.863 68.868 0.007 0.000 1.692 120 T HN 0.359 nan 8.240 nan 0.000 0.483 121 G N 0.646 109.446 108.800 0.001 0.000 2.564 121 G HA2 0.086 4.101 3.960 0.092 0.000 0.216 121 G HA3 0.086 4.101 3.960 0.092 0.000 0.216 121 G C 1.658 176.559 174.900 0.001 0.000 1.124 121 G CA 1.309 46.408 45.100 -0.001 0.000 0.764 121 G HN 1.079 nan 8.290 nan 0.000 0.550 122 A N -0.132 122.690 122.820 0.003 0.000 1.927 122 A HA 0.102 4.478 4.320 0.092 0.000 0.220 122 A C 1.530 179.116 177.584 0.004 0.000 1.185 122 A CA 2.100 54.140 52.037 0.005 0.000 0.639 122 A CB -0.452 18.552 19.000 0.007 0.000 0.820 122 A HN 0.810 nan 8.150 nan 0.000 0.451 123 T N -3.397 111.159 114.554 0.003 0.000 3.012 123 T HA 0.547 4.953 4.350 0.092 0.000 0.330 123 T C -0.874 173.825 174.700 -0.002 0.000 1.321 123 T CA -0.129 61.973 62.100 0.003 0.000 1.067 123 T CB 1.310 70.182 68.868 0.007 0.000 1.235 123 T HN 1.253 nan 8.240 nan 0.000 0.479 124 V N -0.667 119.244 119.914 -0.005 0.000 2.971 124 V HA 0.999 5.174 4.120 0.092 0.000 0.309 124 V C -0.351 175.735 176.094 -0.013 0.000 1.130 124 V CA -1.063 61.228 62.300 -0.015 0.000 0.964 124 V CB 1.272 33.083 31.823 -0.020 0.000 1.029 124 V HN 1.461 nan 8.190 nan 0.000 0.427 125 V N 1.294 121.192 119.914 -0.027 0.000 2.962 125 V HA 0.865 5.040 4.120 0.092 0.000 0.313 125 V C -0.614 175.448 176.094 -0.054 0.000 1.099 125 V CA -0.499 61.793 62.300 -0.013 0.000 0.971 125 V CB 1.717 33.554 31.823 0.024 0.000 1.028 125 V HN 1.385 nan 8.190 nan 0.000 0.430 126 Q N 2.575 122.372 119.800 -0.006 0.000 2.351 126 Q HA 0.621 5.016 4.340 0.092 0.000 0.273 126 Q C -1.440 174.654 176.000 0.156 0.000 1.077 126 Q CA -0.829 54.964 55.803 -0.016 0.000 0.843 126 Q CB 2.659 31.401 28.738 0.006 0.000 1.367 126 Q HN 0.740 nan 8.270 nan 0.000 0.449 127 F N 0.800 120.738 119.950 -0.021 0.000 2.394 127 F HA 0.202 4.784 4.527 0.092 0.000 0.340 127 F C 0.850 176.629 175.800 -0.035 0.000 1.105 127 F CA -0.970 57.006 58.000 -0.039 0.000 1.124 127 F CB 1.467 40.446 39.000 -0.036 0.000 1.145 127 F HN 0.697 nan 8.300 nan 0.000 0.505 128 E N 3.223 123.495 120.200 0.119 0.000 2.414 128 E HA -0.030 4.375 4.350 0.092 0.000 0.263 128 E C -0.397 176.227 176.600 0.040 0.000 1.000 128 E CA -0.649 55.776 56.400 0.042 0.000 0.914 128 E CB 0.712 30.401 29.700 -0.018 0.000 0.948 128 E HN 0.461 nan 8.360 nan 0.000 0.444 129 Q N 3.247 123.071 119.800 0.040 0.000 2.316 129 Q HA 0.318 4.713 4.340 0.092 0.000 0.215 129 Q C -2.082 173.928 176.000 0.017 0.000 1.020 129 Q CA -1.859 53.966 55.803 0.037 0.000 0.970 129 Q CB -0.257 28.503 28.738 0.037 0.000 1.187 129 Q HN 0.518 nan 8.270 nan 0.000 0.546 130 P HA -0.023 nan 4.420 nan 0.000 0.266 130 P C -0.506 176.802 177.300 0.013 0.000 1.186 130 P CA 0.610 63.719 63.100 0.015 0.000 0.767 130 P CB 0.500 32.215 31.700 0.024 0.000 0.820 131 R N 1.246 121.753 120.500 0.011 0.000 2.720 131 R HA 0.504 4.899 4.340 0.092 0.000 0.272 131 R C 0.159 176.470 176.300 0.019 0.000 0.991 131 R CA -1.089 55.020 56.100 0.014 0.000 1.010 131 R CB 0.861 31.170 30.300 0.015 0.000 1.141 131 R HN 0.267 nan 8.270 nan 0.000 0.494 132 R N 1.222 121.733 120.500 0.018 0.000 2.296 132 R HA 0.112 4.508 4.340 0.092 0.000 0.323 132 R C -1.082 175.231 176.300 0.022 0.000 1.067 132 R CA -0.014 56.097 56.100 0.019 0.000 0.946 132 R CB -0.123 30.186 30.300 0.016 0.000 0.991 132 R HN 0.565 nan 8.270 nan 0.000 0.448 133 c N 7.332 125.947 118.600 0.024 0.000 2.539 133 c HA 0.399 5.025 4.570 0.092 0.000 0.392 133 c C -1.785 172.319 174.090 0.023 0.000 1.269 133 c CA -1.074 55.273 56.329 0.029 0.000 2.250 133 c CB 0.553 43.081 42.510 0.031 0.000 2.584 133 c HN 0.745 nan 8.230 nan 0.000 0.589 134 P HA 0.101 nan 4.420 nan 0.000 0.265 134 P C -0.113 177.195 177.300 0.013 0.000 1.187 134 P CA 0.453 63.563 63.100 0.017 0.000 0.766 134 P CB 0.250 31.959 31.700 0.016 0.000 0.820 135 T N 0.764 115.324 114.554 0.010 0.000 2.799 135 T HA 0.341 4.747 4.350 0.092 0.000 0.286 135 T C 0.261 174.964 174.700 0.006 0.000 0.973 135 T CA -1.076 61.028 62.100 0.008 0.000 1.035 135 T CB 0.575 69.447 68.868 0.008 0.000 0.932 135 T HN 0.184 nan 8.240 nan 0.000 0.469 136 R N 3.593 124.095 120.500 0.004 0.000 2.480 136 R HA 0.145 4.541 4.340 0.092 0.000 0.303 136 R C -2.102 174.201 176.300 0.005 0.000 0.985 136 R CA -1.001 55.100 56.100 0.002 0.000 1.051 136 R CB -0.335 29.965 30.300 -0.000 0.000 0.935 136 R HN 0.560 nan 8.270 nan 0.000 0.410 137 P HA -0.103 nan 4.420 nan 0.000 0.262 137 P C 0.547 177.857 177.300 0.015 0.000 1.182 137 P CA 0.231 63.339 63.100 0.013 0.000 0.761 137 P CB 0.550 32.263 31.700 0.021 0.000 0.795 138 E N 2.691 122.898 120.200 0.012 0.000 2.065 138 E HA -0.172 4.233 4.350 0.092 0.000 0.201 138 E C 0.831 177.444 176.600 0.021 0.000 1.016 138 E CA 1.510 57.917 56.400 0.011 0.000 0.818 138 E CB -0.299 29.404 29.700 0.004 0.000 0.749 138 E HN 0.731 nan 8.360 nan 0.000 0.453 139 G N -0.139 108.677 108.800 0.026 0.000 2.423 139 G HA2 -0.115 3.901 3.960 0.092 0.000 0.684 139 G HA3 -0.115 3.901 3.960 0.092 0.000 0.684 139 G C -1.369 173.549 174.900 0.029 0.000 1.309 139 G CA -0.176 44.956 45.100 0.053 0.000 0.950 139 G HN 0.358 nan 8.290 nan 0.000 0.587 140 Q N -0.395 119.450 119.800 0.075 0.000 2.306 140 Q HA 0.684 5.079 4.340 0.092 0.000 0.265 140 Q C -0.282 175.742 176.000 0.040 0.000 1.022 140 Q CA -0.760 55.015 55.803 -0.047 0.000 0.853 140 Q CB 1.067 29.681 28.738 -0.207 0.000 1.327 140 Q HN 0.620 nan 8.270 nan 0.000 0.449 141 N N 2.270 120.930 118.700 -0.066 0.000 2.434 141 N HA 0.253 5.048 4.740 0.092 0.000 0.272 141 N C -1.523 173.946 175.510 -0.069 0.000 1.040 141 N CA -0.083 52.977 53.050 0.017 0.000 0.956 141 N CB 0.533 39.020 38.487 0.000 0.000 1.108 141 N HN 0.433 nan 8.380 nan 0.000 0.481 142 Y N 0.542 120.858 120.300 0.028 0.000 2.335 142 Y HA 0.254 4.860 4.550 0.092 0.000 0.339 142 Y C 0.574 176.504 175.900 0.050 0.000 0.987 142 Y CA -0.698 57.422 58.100 0.034 0.000 1.140 142 Y CB 0.953 39.444 38.460 0.053 0.000 1.173 142 Y HN 0.360 nan 8.280 nan 0.000 0.486 143 T N 4.032 118.656 114.554 0.117 0.000 2.769 143 T HA 0.038 4.443 4.350 0.092 0.000 0.293 143 T C 0.072 174.900 174.700 0.214 0.000 0.931 143 T CA -0.354 61.830 62.100 0.140 0.000 1.139 143 T CB -0.062 68.870 68.868 0.107 0.000 0.881 143 T HN 0.553 nan 8.240 nan 0.000 0.532 144 E N 1.954 122.267 120.200 0.188 0.000 2.313 144 E HA 0.521 4.926 4.350 0.092 0.000 0.276 144 E C 0.446 177.054 176.600 0.013 0.000 1.031 144 E CA -0.259 56.232 56.400 0.152 0.000 0.857 144 E CB 0.479 30.294 29.700 0.191 0.000 1.040 144 E HN 0.871 nan 8.360 nan 0.000 0.408 145 G N 2.767 111.534 108.800 -0.056 0.000 2.341 145 G HA2 0.289 4.305 3.960 0.092 0.000 0.299 145 G HA3 0.289 4.305 3.960 0.092 0.000 0.299 145 G C -1.299 173.430 174.900 -0.285 0.000 1.274 145 G CA -0.816 44.075 45.100 -0.348 0.000 0.853 145 G HN 0.497 nan 8.290 nan 0.000 0.493 146 I N 0.117 120.447 120.570 -0.399 0.000 2.910 146 I HA 0.835 5.060 4.170 0.092 0.000 0.310 146 I C 0.363 176.438 176.117 -0.068 0.000 1.043 146 I CA -1.017 60.170 61.300 -0.188 0.000 1.053 146 I CB 2.071 39.943 38.000 -0.213 0.000 1.242 146 I HN 0.989 nan 8.210 nan 0.000 0.452 147 A N 2.524 125.364 122.820 0.035 0.000 2.610 147 A HA 0.811 5.186 4.320 0.092 0.000 0.291 147 A C -1.730 175.856 177.584 0.004 0.000 1.086 147 A CA -0.516 51.573 52.037 0.088 0.000 0.677 147 A CB 1.920 21.042 19.000 0.203 0.000 1.278 147 A HN 0.366 nan 8.150 nan 0.000 0.414 148 V N 1.337 121.250 119.914 -0.001 0.000 2.488 148 V HA 0.419 4.595 4.120 0.092 0.000 0.293 148 V C -0.404 175.583 176.094 -0.179 0.000 1.027 148 V CA -0.555 61.680 62.300 -0.108 0.000 0.862 148 V CB 1.463 33.246 31.823 -0.066 0.000 1.008 148 V HN 0.790 nan 8.190 nan 0.000 0.428 149 V N 5.345 125.097 119.914 -0.269 0.000 2.649 149 V HA 0.529 4.704 4.120 0.092 0.000 0.292 149 V C -0.353 175.621 176.094 -0.200 0.000 1.055 149 V CA -0.107 62.107 62.300 -0.144 0.000 1.023 149 V CB 1.113 32.886 31.823 -0.083 0.000 0.992 149 V HN 0.633 nan 8.190 nan 0.000 0.480 150 F N 2.781 122.847 119.950 0.194 0.000 2.593 150 F HA 0.741 5.322 4.527 0.091 0.000 0.320 150 F C 0.144 176.021 175.800 0.128 0.000 1.060 150 F CA -0.830 57.270 58.000 0.167 0.000 0.940 150 F CB 2.120 41.165 39.000 0.076 0.000 1.268 150 F HN 0.477 nan 8.300 nan 0.000 0.475 151 K N 0.201 120.728 120.400 0.211 0.000 2.512 151 K HA 0.407 4.782 4.320 0.092 0.000 0.263 151 K C -1.096 175.466 176.600 -0.062 0.000 0.966 151 K CA -1.011 55.243 56.287 -0.055 0.000 0.851 151 K CB 2.282 34.645 32.500 -0.230 0.000 1.395 151 K HN 0.668 nan 8.250 nan 0.000 0.440 152 E N 1.468 121.576 120.200 -0.154 0.000 2.481 152 E HA -0.140 4.265 4.350 0.092 0.000 0.263 152 E C -0.773 175.779 176.600 -0.080 0.000 0.992 152 E CA 0.035 56.361 56.400 -0.124 0.000 0.938 152 E CB 0.482 30.087 29.700 -0.158 0.000 0.933 152 E HN 0.505 nan 8.360 nan 0.000 0.453 153 N N 3.827 122.502 118.700 -0.043 0.000 2.419 153 N HA 0.098 4.894 4.740 0.092 0.000 0.264 153 N C 0.345 175.854 175.510 -0.002 0.000 1.031 153 N CA -0.164 52.889 53.050 0.005 0.000 0.951 153 N CB 0.673 39.196 38.487 0.060 0.000 1.101 153 N HN 0.583 nan 8.380 nan 0.000 0.488 154 I N 0.414 120.986 120.570 0.003 0.000 4.082 154 I HA 0.527 4.753 4.170 0.092 0.000 0.337 154 I C 0.247 176.388 176.117 0.040 0.000 1.352 154 I CA -0.541 60.761 61.300 0.004 0.000 1.097 154 I CB 0.366 38.352 38.000 -0.024 0.000 1.048 154 I HN 0.298 nan 8.210 nan 0.000 0.393 155 A N 2.829 125.689 122.820 0.067 0.000 2.363 155 A HA 0.675 5.050 4.320 0.092 0.000 0.270 155 A C -2.460 175.217 177.584 0.155 0.000 1.121 155 A CA -1.104 50.986 52.037 0.088 0.000 0.800 155 A CB -0.422 18.627 19.000 0.083 0.000 1.052 155 A HN 0.176 nan 8.150 nan 0.000 0.493 156 P HA 0.200 nan 4.420 nan 0.000 0.278 156 P C -0.788 176.685 177.300 0.288 0.000 1.238 156 P CA -0.153 63.085 63.100 0.230 0.000 0.794 156 P CB 0.269 32.048 31.700 0.132 0.000 0.955 157 Y N 2.749 123.250 120.300 0.336 0.000 2.526 157 Y HA 0.135 4.739 4.550 0.091 0.000 0.330 157 Y C 0.034 176.055 175.900 0.201 0.000 1.156 157 Y CA 0.475 58.718 58.100 0.239 0.000 1.419 157 Y CB 0.362 38.933 38.460 0.185 0.000 1.250 157 Y HN 0.212 nan 8.280 nan 0.000 0.540 158 K N 7.958 128.053 120.400 -0.507 0.000 2.292 158 K HA 0.532 4.907 4.320 0.092 0.000 0.257 158 K C -1.567 174.717 176.600 -0.526 0.000 0.940 158 K CA -0.641 55.400 56.287 -0.410 0.000 0.811 158 K CB 1.650 34.013 32.500 -0.230 0.000 1.120 158 K HN 0.614 nan 8.250 nan 0.000 0.428 159 F N -1.143 118.484 119.950 -0.537 0.000 2.686 159 F HA 0.558 5.141 4.527 0.094 0.000 0.311 159 F C -1.275 174.385 175.800 -0.233 0.000 1.128 159 F CA -1.451 56.318 58.000 -0.385 0.000 0.946 159 F CB 1.036 39.815 39.000 -0.367 0.000 1.336 159 F HN -0.034 nan 8.300 nan 0.000 0.457 160 K N 1.931 122.298 120.400 -0.056 0.000 2.172 160 K HA 0.817 5.193 4.320 0.092 0.000 0.276 160 K C -0.479 176.131 176.600 0.017 0.000 1.013 160 K CA -0.458 55.769 56.287 -0.099 0.000 0.913 160 K CB 1.490 33.990 32.500 -0.000 0.000 1.055 160 K HN 0.973 nan 8.250 nan 0.000 0.461 161 A N 1.547 124.315 122.820 -0.086 0.000 2.437 161 A HA 0.855 5.230 4.320 0.092 0.000 0.292 161 A C -0.859 176.753 177.584 0.046 0.000 1.173 161 A CA -0.547 51.532 52.037 0.069 0.000 0.785 161 A CB 1.410 20.387 19.000 -0.038 0.000 1.351 161 A HN 0.537 nan 8.150 nan 0.000 0.431 162 T N 1.036 115.644 114.554 0.090 0.000 2.952 162 T HA 0.574 4.979 4.350 0.092 0.000 0.305 162 T C -0.670 173.882 174.700 -0.247 0.000 1.064 162 T CA -0.218 61.831 62.100 -0.085 0.000 1.008 162 T CB 1.147 69.977 68.868 -0.064 0.000 1.078 162 T HN 0.564 nan 8.240 nan 0.000 0.459 163 M N 2.779 122.152 119.600 -0.379 0.000 2.436 163 M HA 0.548 5.083 4.480 0.092 0.000 0.331 163 M C -1.566 174.463 176.300 -0.452 0.000 1.135 163 M CA -0.764 54.390 55.300 -0.244 0.000 0.987 163 M CB 1.656 34.214 32.600 -0.069 0.000 1.687 163 M HN 0.608 nan 8.290 nan 0.000 0.445 164 Y N 2.946 123.396 120.300 0.250 0.000 2.327 164 Y HA 0.566 5.172 4.550 0.094 0.000 0.325 164 Y C -0.809 175.241 175.900 0.250 0.000 0.999 164 Y CA -1.059 57.128 58.100 0.146 0.000 1.195 164 Y CB 0.664 39.185 38.460 0.102 0.000 1.132 164 Y HN 0.636 nan 8.280 nan 0.000 0.455 165 Y N -0.821 119.586 120.300 0.177 0.000 2.744 165 Y HA 0.825 5.436 4.550 0.101 0.000 0.330 165 Y C -1.775 174.165 175.900 0.067 0.000 1.263 165 Y CA -2.047 56.126 58.100 0.121 0.000 1.065 165 Y CB 1.655 40.191 38.460 0.127 0.000 1.306 165 Y HN 0.238 nan 8.280 nan 0.000 0.459 166 K N 0.958 121.482 120.400 0.207 0.000 2.443 166 K HA 0.277 4.653 4.320 0.092 0.000 0.252 166 K C -1.983 174.705 176.600 0.147 0.000 0.933 166 K CA -0.970 55.372 56.287 0.092 0.000 0.792 166 K CB 2.200 34.737 32.500 0.061 0.000 1.185 166 K HN 0.567 nan 8.250 nan 0.000 0.425 167 D N 2.593 123.064 120.400 0.119 0.000 2.352 167 D HA 0.121 4.816 4.640 0.092 0.000 0.245 167 D C -0.504 175.849 176.300 0.088 0.000 1.224 167 D CA -0.037 54.025 54.000 0.103 0.000 0.879 167 D CB 1.082 41.940 40.800 0.096 0.000 1.057 167 D HN 0.077 nan 8.370 nan 0.000 0.491 168 V N 3.001 122.958 119.914 0.070 0.000 2.394 168 V HA 0.418 4.593 4.120 0.092 0.000 0.282 168 V C 0.466 176.614 176.094 0.090 0.000 1.031 168 V CA -0.292 62.082 62.300 0.123 0.000 0.881 168 V CB 1.834 33.771 31.823 0.190 0.000 0.982 168 V HN 0.438 nan 8.190 nan 0.000 0.451 169 T N 4.044 118.697 114.554 0.165 0.000 2.937 169 T HA 0.482 4.887 4.350 0.092 0.000 0.297 169 T C -0.626 174.232 174.700 0.264 0.000 0.991 169 T CA -0.410 61.787 62.100 0.162 0.000 0.990 169 T CB 1.649 70.591 68.868 0.123 0.000 0.991 169 T HN 0.298 nan 8.240 nan 0.000 0.440 170 V N 3.708 123.827 119.914 0.341 0.000 2.284 170 V HA 0.439 4.614 4.120 0.092 0.000 0.274 170 V C 0.557 176.835 176.094 0.308 0.000 1.023 170 V CA -0.874 61.647 62.300 0.368 0.000 0.808 170 V CB 0.793 32.880 31.823 0.439 0.000 1.035 170 V HN 1.039 nan 8.190 nan 0.000 0.445 171 S N 3.712 119.554 115.700 0.237 0.000 2.617 171 S HA 0.604 5.130 4.470 0.092 0.000 0.269 171 S C -0.450 174.210 174.600 0.100 0.000 1.292 171 S CA -0.558 57.757 58.200 0.192 0.000 1.010 171 S CB 1.810 65.161 63.200 0.251 0.000 0.944 171 S HN 0.720 nan 8.310 nan 0.000 0.536 172 Q N 1.374 121.206 119.800 0.054 0.000 2.310 172 Q HA 0.582 4.977 4.340 0.092 0.000 0.270 172 Q C -1.890 174.100 176.000 -0.017 0.000 1.025 172 Q CA -0.719 54.986 55.803 -0.163 0.000 0.772 172 Q CB 1.615 30.158 28.738 -0.325 0.000 1.253 172 Q HN 0.697 nan 8.270 nan 0.000 0.450 173 V N 4.240 124.080 119.914 -0.123 0.000 2.555 173 V HA 0.456 4.631 4.120 0.092 0.000 0.302 173 V C -0.757 175.093 176.094 -0.406 0.000 1.038 173 V CA -0.812 61.261 62.300 -0.379 0.000 0.887 173 V CB 1.725 33.127 31.823 -0.701 0.000 0.991 173 V HN 0.765 nan 8.190 nan 0.000 0.434 174 W N 5.882 126.837 121.300 -0.576 0.000 2.376 174 W HA 0.597 5.312 4.660 0.091 0.000 0.312 174 W C -2.045 174.123 176.519 -0.584 0.000 1.060 174 W CA -0.974 56.087 57.345 -0.474 0.000 1.221 174 W CB 1.434 30.739 29.460 -0.258 0.000 1.281 174 W HN 0.481 nan 8.180 nan 0.000 0.456 175 F N 5.347 124.760 119.950 -0.894 0.000 2.361 175 F HA 0.416 4.999 4.527 0.093 0.000 0.364 175 F C 1.114 176.294 175.800 -1.033 0.000 1.120 175 F CA -0.327 57.223 58.000 -0.751 0.000 1.102 175 F CB 0.887 39.614 39.000 -0.455 0.000 1.183 175 F HN 0.371 nan 8.300 nan 0.000 0.476 176 G N 0.690 109.180 108.800 -0.517 0.000 2.494 176 G HA2 0.020 4.035 3.960 0.092 0.000 0.270 176 G HA3 0.020 4.035 3.960 0.092 0.000 0.270 176 G C 0.378 175.212 174.900 -0.111 0.000 1.423 176 G CA -0.194 44.748 45.100 -0.262 0.000 1.055 176 G HN 0.738 nan 8.290 nan 0.000 0.536 177 H N -1.077 117.951 119.070 -0.069 0.000 2.502 177 H HA 0.252 4.863 4.556 0.092 0.000 0.283 177 H C 2.133 177.439 175.328 -0.038 0.000 1.015 177 H CA 2.000 58.019 56.048 -0.049 0.000 1.298 177 H CB 0.317 30.067 29.762 -0.020 0.000 1.411 177 H HN 0.474 nan 8.280 nan 0.000 0.556 178 R N -0.134 120.412 120.500 0.077 0.000 2.493 178 R HA 0.376 4.771 4.340 0.092 0.000 0.404 178 R C -0.292 176.022 176.300 0.024 0.000 0.834 178 R CA 0.338 56.462 56.100 0.041 0.000 1.056 178 R CB -0.661 29.686 30.300 0.079 0.000 1.620 178 R HN 0.372 nan 8.270 nan 0.000 0.570 179 S N -1.605 114.101 115.700 0.009 0.000 2.588 179 S HA 0.825 5.350 4.470 0.092 0.000 0.269 179 S C -0.965 173.610 174.600 -0.043 0.000 1.157 179 S CA -0.275 57.925 58.200 0.001 0.000 0.824 179 S CB 2.070 65.287 63.200 0.027 0.000 1.126 179 S HN 0.346 nan 8.310 nan 0.000 0.464 180 S N 0.623 116.276 115.700 -0.078 0.000 2.548 180 S HA 0.761 5.286 4.470 0.092 0.000 0.286 180 S C -1.511 172.951 174.600 -0.231 0.000 1.098 180 S CA -0.694 57.375 58.200 -0.218 0.000 0.930 180 S CB 1.822 64.870 63.200 -0.253 0.000 1.070 180 S HN 0.807 nan 8.310 nan 0.000 0.480 181 Q N 1.362 120.997 119.800 -0.275 0.000 2.340 181 Q HA 0.486 4.881 4.340 0.092 0.000 0.276 181 Q C -1.805 174.050 176.000 -0.241 0.000 1.048 181 Q CA -0.621 55.071 55.803 -0.185 0.000 0.832 181 Q CB 1.055 29.817 28.738 0.040 0.000 1.373 181 Q HN 0.561 nan 8.270 nan 0.000 0.409 182 F N 3.359 123.300 119.950 -0.015 0.000 2.456 182 F HA 0.134 4.720 4.527 0.098 0.000 0.358 182 F C 1.342 177.146 175.800 0.007 0.000 1.095 182 F CA -0.062 57.927 58.000 -0.018 0.000 1.216 182 F CB 0.654 39.648 39.000 -0.010 0.000 1.125 182 F HN 0.560 nan 8.300 nan 0.000 0.549 183 M N 1.842 121.548 119.600 0.178 0.000 2.486 183 M HA 0.282 4.817 4.480 0.092 0.000 0.264 183 M C 0.724 177.064 176.300 0.067 0.000 1.125 183 M CA 0.392 55.747 55.300 0.092 0.000 1.144 183 M CB -0.280 32.345 32.600 0.041 0.000 1.353 183 M HN 0.655 nan 8.290 nan 0.000 0.466 184 G N 0.823 109.681 108.800 0.098 0.000 2.716 184 G HA2 0.570 4.585 3.960 0.092 0.000 0.299 184 G HA3 0.570 4.585 3.960 0.092 0.000 0.299 184 G C -1.612 173.349 174.900 0.103 0.000 1.450 184 G CA -0.626 44.524 45.100 0.083 0.000 0.968 184 G HN 0.106 nan 8.290 nan 0.000 0.566 185 I N 1.173 121.792 120.570 0.082 0.000 2.509 185 I HA 0.541 4.766 4.170 0.092 0.000 0.293 185 I C -1.330 174.897 176.117 0.182 0.000 1.020 185 I CA -0.917 60.425 61.300 0.072 0.000 1.088 185 I CB 2.439 40.376 38.000 -0.105 0.000 1.267 185 I HN 0.434 nan 8.210 nan 0.000 0.430 186 F N 5.567 125.544 119.950 0.046 0.000 2.500 186 F HA 0.491 5.075 4.527 0.096 0.000 0.349 186 F C -0.430 175.416 175.800 0.077 0.000 1.127 186 F CA -0.363 57.680 58.000 0.071 0.000 0.998 186 F CB 1.030 40.095 39.000 0.109 0.000 1.237 186 F HN 0.388 nan 8.300 nan 0.000 0.439 187 E N 3.576 123.516 120.200 -0.432 0.000 2.191 187 E HA 0.441 4.846 4.350 0.092 0.000 0.274 187 E C -1.466 174.789 176.600 -0.574 0.000 0.948 187 E CA -0.652 55.514 56.400 -0.389 0.000 0.802 187 E CB 1.605 31.201 29.700 -0.174 0.000 1.137 187 E HN 0.497 nan 8.360 nan 0.000 0.397 188 D N 0.896 121.071 120.400 -0.375 0.000 2.736 188 D HA 0.235 4.930 4.640 0.092 0.000 0.223 188 D C -1.322 174.890 176.300 -0.147 0.000 1.231 188 D CA -0.689 53.148 54.000 -0.271 0.000 0.818 188 D CB 1.300 41.948 40.800 -0.253 0.000 1.587 188 D HN 0.283 nan 8.370 nan 0.000 0.463 189 R N 1.090 121.507 120.500 -0.138 0.000 2.294 189 R HA 0.764 5.159 4.340 0.092 0.000 0.319 189 R C -0.536 175.625 176.300 -0.233 0.000 0.984 189 R CA -0.872 55.167 56.100 -0.101 0.000 0.861 189 R CB 1.726 31.951 30.300 -0.126 0.000 1.104 189 R HN 0.315 nan 8.270 nan 0.000 0.451 190 A N 5.208 127.879 122.820 -0.249 0.000 2.318 190 A HA 0.546 4.921 4.320 0.092 0.000 0.324 190 A C -2.331 175.205 177.584 -0.080 0.000 1.170 190 A CA -2.019 49.709 52.037 -0.515 0.000 0.810 190 A CB 0.869 19.406 19.000 -0.771 0.000 1.198 190 A HN 0.423 nan 8.150 nan 0.000 0.484 191 P HA 0.182 nan 4.420 nan 0.000 0.276 191 P C -0.377 177.000 177.300 0.128 0.000 1.230 191 P CA 0.051 63.215 63.100 0.108 0.000 0.776 191 P CB 0.976 32.703 31.700 0.044 0.000 0.888 192 V N 6.315 126.336 119.914 0.177 0.000 2.427 192 V HA 0.130 4.305 4.120 0.092 0.000 0.268 192 V C -1.795 174.351 176.094 0.087 0.000 1.046 192 V CA -1.542 60.831 62.300 0.121 0.000 0.970 192 V CB 0.174 32.070 31.823 0.123 0.000 1.001 192 V HN 0.544 nan 8.190 nan 0.000 0.476 193 P HA -0.071 nan 4.420 nan 0.000 0.267 193 P C 0.691 178.025 177.300 0.057 0.000 1.195 193 P CA 0.106 63.256 63.100 0.084 0.000 0.773 193 P CB 0.371 32.115 31.700 0.073 0.000 0.837 194 F N 3.174 123.100 119.950 -0.040 0.000 2.087 194 F HA -0.287 4.294 4.527 0.091 0.000 0.299 194 F C 1.697 177.448 175.800 -0.082 0.000 1.100 194 F CA 1.991 59.942 58.000 -0.081 0.000 1.226 194 F CB -0.526 38.430 39.000 -0.075 0.000 0.983 194 F HN 0.297 nan 8.300 nan 0.000 0.479 195 E N 0.247 120.278 120.200 -0.282 0.000 2.150 195 E HA -0.201 4.204 4.350 0.092 0.000 0.193 195 E C 2.129 178.559 176.600 -0.283 0.000 0.985 195 E CA 1.349 57.517 56.400 -0.385 0.000 0.814 195 E CB -0.423 29.235 29.700 -0.069 0.000 0.752 195 E HN 0.704 nan 8.360 nan 0.000 0.466 196 E N 0.336 120.431 120.200 -0.175 0.000 2.106 196 E HA -0.147 4.258 4.350 0.092 0.000 0.192 196 E C 1.799 178.285 176.600 -0.189 0.000 0.984 196 E CA 0.952 57.272 56.400 -0.134 0.000 0.806 196 E CB 0.192 29.852 29.700 -0.066 0.000 0.750 196 E HN 0.094 nan 8.360 nan 0.000 0.458 197 V N 1.592 121.338 119.914 -0.280 0.000 2.295 197 V HA -0.264 3.911 4.120 0.092 0.000 0.246 197 V C 2.378 178.291 176.094 -0.301 0.000 1.049 197 V CA 1.219 63.288 62.300 -0.385 0.000 1.024 197 V CB -0.397 31.049 31.823 -0.628 0.000 0.648 197 V HN 0.349 nan 8.190 nan 0.000 0.447 198 I N 0.511 120.869 120.570 -0.353 0.000 2.094 198 I HA -0.166 4.059 4.170 0.092 0.000 0.234 198 I C 2.329 178.348 176.117 -0.163 0.000 1.063 198 I CA 1.833 62.989 61.300 -0.240 0.000 1.328 198 I CB -1.415 36.341 38.000 -0.407 0.000 1.058 198 I HN 0.335 nan 8.210 nan 0.000 0.400 199 D N 0.742 121.036 120.400 -0.177 0.000 2.123 199 D HA -0.109 4.586 4.640 0.092 0.000 0.200 199 D C 2.173 178.414 176.300 -0.099 0.000 0.976 199 D CA 1.094 55.023 54.000 -0.117 0.000 0.831 199 D CB 0.043 40.783 40.800 -0.100 0.000 0.974 199 D HN 0.299 nan 8.370 nan 0.000 0.469 200 K N 0.470 120.806 120.400 -0.105 0.000 2.118 200 K HA 0.160 4.535 4.320 0.092 0.000 0.214 200 K C 2.494 179.040 176.600 -0.090 0.000 1.023 200 K CA 0.003 56.240 56.287 -0.084 0.000 0.948 200 K CB -0.716 31.741 32.500 -0.070 0.000 0.851 200 K HN 0.110 nan 8.250 nan 0.000 0.455 201 I N 2.158 122.667 120.570 -0.101 0.000 2.076 201 I HA -0.342 3.884 4.170 0.092 0.000 0.237 201 I C 2.429 178.486 176.117 -0.100 0.000 1.059 201 I CA 1.646 62.889 61.300 -0.095 0.000 1.317 201 I CB -0.505 37.442 38.000 -0.089 0.000 1.037 201 I HN 0.253 nan 8.210 nan 0.000 0.398 202 N N 1.071 119.716 118.700 -0.093 0.000 2.084 202 N HA -0.140 4.656 4.740 0.092 0.000 0.190 202 N C 1.732 177.181 175.510 -0.103 0.000 1.030 202 N CA 1.968 54.980 53.050 -0.065 0.000 0.849 202 N CB -0.165 38.332 38.487 0.017 0.000 1.012 202 N HN 0.339 nan 8.380 nan 0.000 0.423 203 A N -0.044 122.714 122.820 -0.104 0.000 1.897 203 A HA -0.031 4.344 4.320 0.092 0.000 0.215 203 A C 2.047 179.576 177.584 -0.092 0.000 1.181 203 A CA 1.420 53.395 52.037 -0.104 0.000 0.620 203 A CB -0.178 18.765 19.000 -0.094 0.000 0.821 203 A HN 0.394 nan 8.150 nan 0.000 0.443 204 K N -2.953 117.395 120.400 -0.086 0.000 2.329 204 K HA 0.324 4.699 4.320 0.092 0.000 0.198 204 K C 0.851 177.401 176.600 -0.083 0.000 1.085 204 K CA 0.545 56.787 56.287 -0.075 0.000 0.961 204 K CB 0.430 32.893 32.500 -0.062 0.000 0.971 204 K HN 0.674 nan 8.250 nan 0.000 0.502 205 G N 2.192 110.933 108.800 -0.099 0.000 2.164 205 G HA2 -0.184 3.832 3.960 0.092 0.000 0.212 205 G HA3 -0.184 3.832 3.960 0.092 0.000 0.212 205 G C -0.141 174.706 174.900 -0.089 0.000 1.031 205 G CA 0.123 45.150 45.100 -0.122 0.000 0.730 205 G HN 0.262 nan 8.290 nan 0.000 0.501 206 V N -3.815 116.056 119.914 -0.071 0.000 3.156 206 V HA 0.936 5.111 4.120 0.092 0.000 0.310 206 V C 0.064 176.132 176.094 -0.043 0.000 1.234 206 V CA -0.833 61.437 62.300 -0.049 0.000 1.065 206 V CB 2.041 33.841 31.823 -0.039 0.000 1.088 206 V HN 1.594 nan 8.190 nan 0.000 0.451 207 c N 1.485 120.067 118.600 -0.030 0.000 3.006 207 c HA 0.620 5.245 4.570 0.092 0.000 0.359 207 c C 0.009 174.091 174.090 -0.014 0.000 1.103 207 c CA -0.537 55.778 56.329 -0.023 0.000 1.286 207 c CB 1.422 43.922 42.510 -0.016 0.000 1.694 207 c HN 1.173 nan 8.230 nan 0.000 0.511 208 R N 2.944 123.440 120.500 -0.007 0.000 2.640 208 R HA 0.172 4.567 4.340 0.092 0.000 0.270 208 R C 1.275 177.580 176.300 0.009 0.000 1.024 208 R CA 0.807 56.911 56.100 0.006 0.000 1.085 208 R CB 0.477 30.779 30.300 0.003 0.000 0.963 208 R HN 0.912 nan 8.270 nan 0.000 0.426 209 S N -0.346 115.375 115.700 0.035 0.000 2.803 209 S HA -0.020 4.505 4.470 0.092 0.000 0.228 209 S C 0.423 175.061 174.600 0.063 0.000 0.953 209 S CA -0.128 58.106 58.200 0.056 0.000 0.983 209 S CB -0.313 62.962 63.200 0.124 0.000 0.784 209 S HN 0.711 nan 8.310 nan 0.000 0.498 210 T N -1.812 112.735 114.554 -0.013 0.000 2.900 210 T HA 0.797 5.202 4.350 0.092 0.000 0.295 210 T C -0.764 173.901 174.700 -0.059 0.000 1.044 210 T CA -0.681 61.343 62.100 -0.128 0.000 0.995 210 T CB 1.752 70.384 68.868 -0.394 0.000 1.072 210 T HN 0.395 nan 8.240 nan 0.000 0.473 211 A N 2.181 124.990 122.820 -0.018 0.000 2.303 211 A HA 0.779 5.154 4.320 0.092 0.000 0.320 211 A C -0.217 177.444 177.584 0.129 0.000 1.192 211 A CA -0.889 51.230 52.037 0.137 0.000 0.821 211 A CB 1.017 20.186 19.000 0.281 0.000 1.188 211 A HN 0.929 nan 8.150 nan 0.000 0.492 212 K N 2.708 123.208 120.400 0.167 0.000 2.656 212 K HA 0.557 4.932 4.320 0.092 0.000 0.241 212 K C -1.841 174.852 176.600 0.155 0.000 0.967 212 K CA -0.421 55.893 56.287 0.045 0.000 0.946 212 K CB 0.791 33.279 32.500 -0.019 0.000 1.164 212 K HN 0.798 nan 8.250 nan 0.000 0.459 213 Y N -0.651 119.668 120.300 0.031 0.000 2.597 213 Y HA 0.531 5.138 4.550 0.094 0.000 0.340 213 Y C -0.977 174.951 175.900 0.047 0.000 1.097 213 Y CA -1.517 56.609 58.100 0.043 0.000 1.037 213 Y CB 0.857 39.349 38.460 0.054 0.000 1.305 213 Y HN -0.067 nan 8.280 nan 0.000 0.463 214 V N 3.087 123.099 119.914 0.162 0.000 2.427 214 V HA 0.440 4.616 4.120 0.092 0.000 0.268 214 V C -0.238 175.969 176.094 0.188 0.000 1.046 214 V CA 0.008 62.364 62.300 0.093 0.000 0.970 214 V CB 0.380 32.255 31.823 0.087 0.000 1.001 214 V HN 0.711 nan 8.190 nan 0.000 0.476 215 R N 4.810 125.378 120.500 0.113 0.000 2.502 215 R HA 0.449 4.845 4.340 0.092 0.000 0.300 215 R C -0.102 176.263 176.300 0.108 0.000 0.984 215 R CA -0.421 55.791 56.100 0.188 0.000 0.882 215 R CB 0.387 30.877 30.300 0.317 0.000 1.180 215 R HN 0.633 nan 8.270 nan 0.000 0.444 216 N N 4.024 122.787 118.700 0.104 0.000 2.738 216 N HA -0.219 4.577 4.740 0.092 0.000 0.249 216 N C -1.057 174.481 175.510 0.047 0.000 1.047 216 N CA 1.296 54.390 53.050 0.073 0.000 0.707 216 N CB -1.113 37.420 38.487 0.076 0.000 0.937 216 N HN 0.872 nan 8.380 nan 0.000 0.545 217 N N -2.358 116.368 118.700 0.045 0.000 2.735 217 N HA -0.223 4.572 4.740 0.092 0.000 0.248 217 N C -0.801 174.719 175.510 0.017 0.000 1.083 217 N CA 1.159 54.226 53.050 0.030 0.000 0.703 217 N CB -0.941 37.561 38.487 0.025 0.000 1.005 217 N HN 0.600 nan 8.380 nan 0.000 0.550 218 L N -0.427 120.802 121.223 0.011 0.000 2.506 218 L HA 0.403 4.798 4.340 0.092 0.000 0.257 218 L C -0.391 176.456 176.870 -0.038 0.000 0.964 218 L CA -0.630 54.203 54.840 -0.011 0.000 0.836 218 L CB 1.938 43.988 42.059 -0.015 0.000 1.384 218 L HN 0.109 nan 8.230 nan 0.000 0.410 219 E N 2.081 122.253 120.200 -0.047 0.000 1.998 219 E HA 0.215 4.620 4.350 0.092 0.000 0.257 219 E C -0.857 175.666 176.600 -0.128 0.000 1.038 219 E CA -0.186 56.165 56.400 -0.080 0.000 0.869 219 E CB 0.522 30.198 29.700 -0.040 0.000 1.135 219 E HN 0.664 nan 8.360 nan 0.000 0.430 220 T N 2.538 116.947 114.554 -0.241 0.000 2.869 220 T HA 0.226 4.632 4.350 0.092 0.000 0.295 220 T C -0.330 174.191 174.700 -0.298 0.000 0.987 220 T CA -0.036 61.911 62.100 -0.255 0.000 1.109 220 T CB 0.894 69.587 68.868 -0.292 0.000 0.932 220 T HN 0.299 nan 8.240 nan 0.000 0.518 221 T N 3.560 118.031 114.554 -0.137 0.000 2.876 221 T HA 0.753 5.158 4.350 0.092 0.000 0.289 221 T C -0.911 173.755 174.700 -0.057 0.000 1.014 221 T CA -0.680 61.343 62.100 -0.128 0.000 0.986 221 T CB 1.597 70.408 68.868 -0.094 0.000 1.021 221 T HN 0.839 nan 8.240 nan 0.000 0.458 222 A N 2.355 125.097 122.820 -0.129 0.000 2.449 222 A HA 0.862 5.237 4.320 0.092 0.000 0.302 222 A C -1.592 175.896 177.584 -0.161 0.000 1.048 222 A CA -0.717 51.332 52.037 0.021 0.000 0.708 222 A CB 0.959 20.057 19.000 0.163 0.000 1.274 222 A HN 0.664 nan 8.150 nan 0.000 0.410 223 F N 0.617 120.630 119.950 0.105 0.000 2.469 223 F HA 0.430 5.013 4.527 0.093 0.000 0.332 223 F C 0.527 176.387 175.800 0.099 0.000 1.103 223 F CA -0.419 57.633 58.000 0.086 0.000 0.979 223 F CB 1.558 40.574 39.000 0.026 0.000 1.137 223 F HN 0.752 nan 8.300 nan 0.000 0.463 224 H N 3.877 123.042 119.070 0.158 0.000 2.929 224 H HA 0.215 4.825 4.556 0.092 0.000 0.317 224 H C 0.790 176.080 175.328 -0.064 0.000 1.031 224 H CA 0.210 56.300 56.048 0.069 0.000 1.466 224 H CB 0.411 30.204 29.762 0.052 0.000 1.482 224 H HN 0.613 nan 8.280 nan 0.000 0.561 225 R N 2.954 123.030 120.500 -0.708 0.000 4.023 225 R HA -0.263 4.132 4.340 0.092 0.000 0.368 225 R C -0.472 175.353 176.300 -0.791 0.000 1.187 225 R CA 1.024 56.309 56.100 -1.358 0.000 1.089 225 R CB -1.701 27.849 30.300 -1.249 0.000 1.574 225 R HN 0.972 nan 8.270 nan 0.000 0.564 226 D N -0.333 119.910 120.400 -0.262 0.000 2.945 226 D HA -0.140 4.555 4.640 0.092 0.000 0.225 226 D C -0.166 175.993 176.300 -0.236 0.000 1.158 226 D CA 1.808 55.733 54.000 -0.125 0.000 0.805 226 D CB -0.634 40.131 40.800 -0.059 0.000 1.098 226 D HN 0.410 nan 8.370 nan 0.000 0.426 227 D N -0.378 119.905 120.400 -0.196 0.000 2.432 227 D HA 0.190 4.885 4.640 0.092 0.000 0.258 227 D C 1.027 177.233 176.300 -0.156 0.000 1.146 227 D CA -0.193 53.687 54.000 -0.200 0.000 1.015 227 D CB 0.478 41.220 40.800 -0.097 0.000 1.107 227 D HN 0.082 nan 8.370 nan 0.000 0.529 228 H N 0.509 119.557 119.070 -0.038 0.000 2.929 228 H HA -0.029 4.582 4.556 0.092 0.000 0.358 228 H C 0.542 175.957 175.328 0.145 0.000 1.111 228 H CA 0.466 56.522 56.048 0.013 0.000 1.409 228 H CB 0.459 30.222 29.762 0.002 0.000 1.373 228 H HN 0.428 nan 8.280 nan 0.000 0.610 229 E N 0.778 121.202 120.200 0.374 0.000 2.437 229 E HA 0.012 4.417 4.350 0.092 0.000 0.263 229 E C -0.470 176.238 176.600 0.180 0.000 1.030 229 E CA 0.370 56.945 56.400 0.291 0.000 0.934 229 E CB 0.589 30.439 29.700 0.249 0.000 0.943 229 E HN 0.578 nan 8.360 nan 0.000 0.444 230 T N 3.276 117.909 114.554 0.132 0.000 3.047 230 T HA 0.135 4.540 4.350 0.092 0.000 0.340 230 T C -1.713 173.021 174.700 0.056 0.000 1.421 230 T CA -0.938 61.215 62.100 0.088 0.000 1.090 230 T CB 1.071 69.994 68.868 0.092 0.000 1.292 230 T HN 0.395 nan 8.240 nan 0.000 0.480 231 D N 3.441 123.860 120.400 0.033 0.000 2.390 231 D HA 0.402 5.097 4.640 0.092 0.000 0.249 231 D C -0.029 176.275 176.300 0.007 0.000 1.144 231 D CA 0.558 54.565 54.000 0.012 0.000 0.880 231 D CB 0.578 41.378 40.800 0.001 0.000 1.182 231 D HN 0.469 nan 8.370 nan 0.000 0.451 232 M N 1.471 121.067 119.600 -0.008 0.000 2.253 232 M HA 0.204 4.739 4.480 0.092 0.000 0.314 232 M C 0.117 176.399 176.300 -0.031 0.000 1.019 232 M CA -0.789 54.499 55.300 -0.021 0.000 0.932 232 M CB 2.339 34.915 32.600 -0.041 0.000 1.606 232 M HN 0.228 nan 8.290 nan 0.000 0.430 233 E N 3.151 123.334 120.200 -0.029 0.000 2.392 233 E HA 0.216 4.622 4.350 0.092 0.000 0.264 233 E C -1.304 175.278 176.600 -0.029 0.000 1.024 233 E CA -0.254 56.128 56.400 -0.029 0.000 0.903 233 E CB 0.810 30.497 29.700 -0.020 0.000 0.963 233 E HN 0.605 nan 8.360 nan 0.000 0.432 234 L N 5.134 126.345 121.223 -0.019 0.000 2.315 234 L HA 0.200 4.595 4.340 0.092 0.000 0.283 234 L C -0.343 176.592 176.870 0.108 0.000 1.089 234 L CA -0.289 54.570 54.840 0.032 0.000 0.833 234 L CB 0.308 42.363 42.059 -0.008 0.000 1.170 234 L HN 0.449 nan 8.230 nan 0.000 0.442 235 K N 3.951 124.426 120.400 0.125 0.000 2.270 235 K HA 0.658 5.034 4.320 0.092 0.000 0.255 235 K C -2.782 173.973 176.600 0.258 0.000 0.936 235 K CA -2.284 54.107 56.287 0.173 0.000 0.809 235 K CB 1.007 33.526 32.500 0.032 0.000 1.131 235 K HN 0.015 nan 8.250 nan 0.000 0.427 236 P HA -0.137 nan 4.420 nan 0.000 0.264 236 P C -0.581 176.736 177.300 0.028 0.000 1.173 236 P CA 0.312 63.375 63.100 -0.061 0.000 0.761 236 P CB 0.378 32.027 31.700 -0.085 0.000 0.794 237 A N 3.517 126.281 122.820 -0.094 0.000 2.406 237 A HA 0.136 4.511 4.320 0.092 0.000 0.243 237 A C 0.344 177.886 177.584 -0.070 0.000 1.082 237 A CA -0.368 51.623 52.037 -0.075 0.000 0.786 237 A CB -0.257 18.590 19.000 -0.255 0.000 1.029 237 A HN 0.551 nan 8.150 nan 0.000 0.495 238 N N 0.880 119.548 118.700 -0.054 0.000 2.357 238 N HA 0.203 4.998 4.740 0.092 0.000 0.257 238 N C 0.412 175.877 175.510 -0.075 0.000 1.250 238 N CA 0.999 54.026 53.050 -0.039 0.000 0.862 238 N CB 0.148 38.614 38.487 -0.036 0.000 1.066 238 N HN 0.821 nan 8.380 nan 0.000 0.468 239 A N 1.380 124.165 122.820 -0.058 0.000 2.584 239 A HA 0.376 4.751 4.320 0.092 0.000 0.239 239 A C 0.340 177.881 177.584 -0.072 0.000 1.043 239 A CA 0.335 52.331 52.037 -0.068 0.000 0.756 239 A CB -0.221 18.751 19.000 -0.047 0.000 0.963 239 A HN 0.775 nan 8.150 nan 0.000 0.511 240 A N 2.797 125.566 122.820 -0.085 0.000 2.398 240 A HA 0.702 5.078 4.320 0.092 0.000 0.301 240 A C 0.186 177.726 177.584 -0.074 0.000 1.041 240 A CA 0.041 52.030 52.037 -0.081 0.000 0.711 240 A CB 0.770 19.711 19.000 -0.099 0.000 1.240 240 A HN 1.686 nan 8.150 nan 0.000 0.420 241 T N 0.150 114.668 114.554 -0.060 0.000 2.901 241 T HA 0.448 4.854 4.350 0.092 0.000 0.301 241 T C 0.464 175.129 174.700 -0.058 0.000 1.012 241 T CA -0.290 61.778 62.100 -0.053 0.000 1.135 241 T CB 0.197 69.039 68.868 -0.042 0.000 0.936 241 T HN 0.845 nan 8.240 nan 0.000 0.539 242 R N -0.154 120.313 120.500 -0.056 0.000 3.322 242 R HA -0.152 4.244 4.340 0.092 0.000 0.253 242 R C 0.012 176.270 176.300 -0.070 0.000 0.987 242 R CA 0.946 57.011 56.100 -0.058 0.000 0.666 242 R CB -2.740 27.530 30.300 -0.050 0.000 1.072 242 R HN 1.056 nan 8.270 nan 0.000 0.447 243 T N -3.555 110.950 114.554 -0.083 0.000 2.900 243 T HA 0.547 4.952 4.350 0.092 0.000 0.295 243 T C 0.721 175.354 174.700 -0.112 0.000 1.044 243 T CA -0.297 61.743 62.100 -0.099 0.000 0.995 243 T CB 2.182 70.984 68.868 -0.109 0.000 1.072 243 T HN 0.214 nan 8.240 nan 0.000 0.473 244 S N 2.299 117.928 115.700 -0.118 0.000 2.618 244 S HA 0.384 4.909 4.470 0.092 0.000 0.254 244 S C 0.358 174.848 174.600 -0.183 0.000 1.284 244 S CA -0.909 57.216 58.200 -0.126 0.000 0.975 244 S CB -0.054 63.079 63.200 -0.111 0.000 1.022 244 S HN 0.865 nan 8.310 nan 0.000 0.571 245 R N -0.380 119.988 120.500 -0.221 0.000 2.532 245 R HA 0.687 5.082 4.340 0.092 0.000 0.272 245 R C 0.191 176.150 176.300 -0.568 0.000 1.032 245 R CA -0.260 55.579 56.100 -0.435 0.000 1.089 245 R CB 1.083 31.095 30.300 -0.480 0.000 1.098 245 R HN 0.871 nan 8.270 nan 0.000 0.526 246 G N 0.524 108.777 108.800 -0.912 0.000 2.673 246 G HA2 0.499 4.514 3.960 0.092 0.000 0.292 246 G HA3 0.499 4.514 3.960 0.092 0.000 0.292 246 G C -1.890 172.542 174.900 -0.779 0.000 1.450 246 G CA -0.639 44.072 45.100 -0.648 0.000 0.837 246 G HN 0.404 nan 8.290 nan 0.000 0.505 247 W N 0.976 122.273 121.300 -0.005 0.000 3.033 247 W HA 0.571 5.286 4.660 0.092 0.000 0.336 247 W C -0.484 176.106 176.519 0.119 0.000 1.173 247 W CA -0.598 56.787 57.345 0.067 0.000 1.185 247 W CB 2.443 31.919 29.460 0.028 0.000 1.425 247 W HN 0.869 nan 8.180 nan 0.000 0.536 248 H N -1.693 117.461 119.070 0.140 0.000 3.017 248 H HA 0.323 4.935 4.556 0.095 0.000 0.346 248 H C 0.040 175.386 175.328 0.029 0.000 1.286 248 H CA -0.248 55.825 56.048 0.041 0.000 1.120 248 H CB 1.297 31.050 29.762 -0.015 0.000 1.860 248 H HN 0.292 nan 8.280 nan 0.000 0.542 249 T N -1.905 112.579 114.554 -0.117 0.000 3.023 249 T HA 0.232 4.637 4.350 0.092 0.000 0.249 249 T C 0.103 174.665 174.700 -0.230 0.000 1.050 249 T CA 0.584 62.576 62.100 -0.179 0.000 1.088 249 T CB -0.100 68.698 68.868 -0.117 0.000 0.946 249 T HN 0.564 nan 8.240 nan 0.000 0.480 250 T N 3.247 117.696 114.554 -0.174 0.000 2.928 250 T HA 0.432 4.837 4.350 0.092 0.000 0.296 250 T C -0.955 173.814 174.700 0.115 0.000 1.000 250 T CA -0.734 61.319 62.100 -0.078 0.000 0.989 250 T CB 1.826 70.609 68.868 -0.142 0.000 1.005 250 T HN 0.336 nan 8.240 nan 0.000 0.442 251 D N 2.505 122.976 120.400 0.118 0.000 2.462 251 D HA 0.251 4.946 4.640 0.092 0.000 0.221 251 D C 0.256 176.648 176.300 0.155 0.000 1.173 251 D CA -0.150 53.986 54.000 0.227 0.000 0.831 251 D CB 0.253 41.228 40.800 0.291 0.000 1.001 251 D HN 0.351 nan 8.370 nan 0.000 0.499 252 L N -0.574 120.744 121.223 0.157 0.000 2.341 252 L HA 0.480 4.875 4.340 0.092 0.000 0.254 252 L C -0.314 176.676 176.870 0.201 0.000 1.040 252 L CA -1.195 53.741 54.840 0.160 0.000 0.837 252 L CB 2.157 44.309 42.059 0.156 0.000 1.425 252 L HN -0.318 nan 8.230 nan 0.000 0.414 253 K N 1.261 121.772 120.400 0.185 0.000 2.213 253 K HA 0.290 4.666 4.320 0.092 0.000 0.270 253 K C -1.080 175.659 176.600 0.232 0.000 1.002 253 K CA -0.545 55.866 56.287 0.206 0.000 0.868 253 K CB 1.611 34.202 32.500 0.152 0.000 1.093 253 K HN 0.384 nan 8.250 nan 0.000 0.454 254 Y N 3.772 124.154 120.300 0.138 0.000 2.486 254 Y HA 0.154 4.758 4.550 0.091 0.000 0.348 254 Y C -0.687 175.285 175.900 0.120 0.000 1.000 254 Y CA -0.199 57.950 58.100 0.081 0.000 1.253 254 Y CB 0.341 38.780 38.460 -0.035 0.000 1.140 254 Y HN 0.426 nan 8.280 nan 0.000 0.526 255 N N 7.934 126.389 118.700 -0.408 0.000 2.321 255 N HA 0.321 5.117 4.740 0.092 0.000 0.299 255 N C -2.869 172.362 175.510 -0.464 0.000 1.048 255 N CA -1.795 51.073 53.050 -0.303 0.000 0.836 255 N CB 1.551 40.037 38.487 -0.002 0.000 1.269 255 N HN 0.448 nan 8.380 nan 0.000 0.486 256 P HA 0.022 nan 4.420 nan 0.000 0.260 256 P C 0.203 177.500 177.300 -0.004 0.000 1.172 256 P CA 0.448 63.489 63.100 -0.099 0.000 0.760 256 P CB -0.126 31.649 31.700 0.124 0.000 0.773 257 S N 3.297 118.926 115.700 -0.118 0.000 2.569 257 S HA 0.016 4.541 4.470 0.092 0.000 0.274 257 S C 0.651 174.926 174.600 -0.543 0.000 1.353 257 S CA -0.228 57.850 58.200 -0.204 0.000 1.023 257 S CB 0.004 63.113 63.200 -0.150 0.000 0.876 257 S HN 0.554 nan 8.310 nan 0.000 0.540 258 R N 0.858 120.896 120.500 -0.770 0.000 2.537 258 R HA 0.280 4.675 4.340 0.092 0.000 0.281 258 R C -1.319 174.316 176.300 -1.109 0.000 0.988 258 R CA 0.330 55.517 56.100 -1.521 0.000 1.077 258 R CB -0.200 29.639 30.300 -0.769 0.000 0.932 258 R HN 0.339 nan 8.270 nan 0.000 0.409 259 V N 5.527 124.650 119.914 -1.317 0.000 2.538 259 V HA 0.099 4.275 4.120 0.092 0.000 0.265 259 V C -0.289 175.732 176.094 -0.122 0.000 0.977 259 V CA -0.727 61.328 62.300 -0.408 0.000 0.852 259 V CB 0.884 32.612 31.823 -0.158 0.000 1.058 259 V HN 0.930 nan 8.190 nan 0.000 0.462 260 E N 4.057 124.154 120.200 -0.170 0.000 2.529 260 E HA 0.292 4.697 4.350 0.092 0.000 0.259 260 E C 0.918 177.417 176.600 -0.168 0.000 0.966 260 E CA 0.899 57.195 56.400 -0.173 0.000 0.937 260 E CB 0.529 30.113 29.700 -0.194 0.000 0.923 260 E HN 1.340 nan 8.360 nan 0.000 0.468 261 A N 3.377 125.865 122.820 -0.553 0.000 2.914 261 A HA -0.177 4.198 4.320 0.092 0.000 0.280 261 A C -0.884 176.336 177.584 -0.607 0.000 1.447 261 A CA 1.085 52.703 52.037 -0.699 0.000 0.759 261 A CB -2.122 16.703 19.000 -0.293 0.000 1.034 261 A HN 0.472 nan 8.150 nan 0.000 0.529 262 F N -0.864 118.867 119.950 -0.364 0.000 2.665 262 F HA 0.530 5.112 4.527 0.091 0.000 0.308 262 F C 0.426 176.269 175.800 0.071 0.000 1.112 262 F CA -0.664 57.352 58.000 0.028 0.000 0.972 262 F CB 1.172 40.209 39.000 0.063 0.000 1.295 262 F HN 0.328 nan 8.300 nan 0.000 0.440 263 H N 1.177 120.570 119.070 0.539 0.000 2.547 263 H HA 0.897 5.509 4.556 0.092 0.000 0.362 263 H C 0.169 175.636 175.328 0.232 0.000 1.181 263 H CA -0.238 55.987 56.048 0.296 0.000 1.376 263 H CB 1.145 31.027 29.762 0.200 0.000 1.488 263 H HN 0.836 nan 8.280 nan 0.000 0.583 264 R N 1.021 121.626 120.500 0.175 0.000 2.629 264 R HA 0.452 4.847 4.340 0.092 0.000 0.266 264 R C -1.997 174.279 176.300 -0.041 0.000 1.051 264 R CA -0.849 55.353 56.100 0.171 0.000 0.895 264 R CB 0.612 31.078 30.300 0.276 0.000 1.246 264 R HN 0.614 nan 8.270 nan 0.000 0.459 265 Y N 0.075 120.474 120.300 0.165 0.000 2.352 265 Y HA 0.765 5.369 4.550 0.091 0.000 0.339 265 Y C 1.030 177.033 175.900 0.172 0.000 0.992 265 Y CA -0.778 57.417 58.100 0.158 0.000 1.100 265 Y CB 2.910 41.453 38.460 0.138 0.000 1.192 265 Y HN 0.995 nan 8.280 nan 0.000 0.458 266 G N 1.489 110.474 108.800 0.309 0.000 2.744 266 G HA2 0.468 4.483 3.960 0.092 0.000 0.286 266 G HA3 0.468 4.483 3.960 0.092 0.000 0.286 266 G C -1.197 173.943 174.900 0.401 0.000 1.497 266 G CA -0.689 44.614 45.100 0.338 0.000 1.070 266 G HN 0.437 nan 8.290 nan 0.000 0.539 267 T N 2.048 116.865 114.554 0.439 0.000 2.799 267 T HA 0.629 5.035 4.350 0.092 0.000 0.286 267 T C 0.139 175.049 174.700 0.350 0.000 0.973 267 T CA 0.028 62.343 62.100 0.359 0.000 1.035 267 T CB 1.332 70.386 68.868 0.310 0.000 0.932 267 T HN 0.416 nan 8.240 nan 0.000 0.469 268 T N 2.597 117.355 114.554 0.340 0.000 2.885 268 T HA 0.646 5.051 4.350 0.092 0.000 0.285 268 T C -0.649 174.261 174.700 0.350 0.000 1.019 268 T CA -0.593 61.748 62.100 0.400 0.000 1.010 268 T CB 1.449 70.531 68.868 0.357 0.000 1.022 268 T HN 0.326 nan 8.240 nan 0.000 0.466 269 V N 3.212 123.368 119.914 0.402 0.000 2.577 269 V HA 0.567 4.742 4.120 0.092 0.000 0.303 269 V C -0.700 175.384 176.094 -0.017 0.000 1.042 269 V CA -0.925 61.472 62.300 0.161 0.000 0.872 269 V CB 1.884 33.791 31.823 0.139 0.000 0.998 269 V HN 0.837 nan 8.190 nan 0.000 0.423 270 N N 3.043 121.751 118.700 0.014 0.000 2.573 270 N HA 0.332 5.127 4.740 0.092 0.000 0.262 270 N C -0.713 174.788 175.510 -0.016 0.000 1.029 270 N CA -0.286 52.754 53.050 -0.016 0.000 0.882 270 N CB 1.165 39.682 38.487 0.050 0.000 1.204 270 N HN 0.667 nan 8.380 nan 0.000 0.519 271 c N 4.776 123.356 118.600 -0.034 0.000 2.624 271 c HA 0.395 5.021 4.570 0.092 0.000 0.397 271 c C 0.694 174.753 174.090 -0.051 0.000 1.331 271 c CA -0.555 55.751 56.329 -0.038 0.000 1.716 271 c CB -1.893 40.606 42.510 -0.018 0.000 2.452 271 c HN 0.505 nan 8.230 nan 0.000 0.586 272 I N 3.697 124.144 120.570 -0.205 0.000 2.509 272 I HA 0.596 4.821 4.170 0.092 0.000 0.293 272 I C -0.525 175.400 176.117 -0.320 0.000 1.020 272 I CA -0.494 60.632 61.300 -0.289 0.000 1.088 272 I CB 1.654 39.318 38.000 -0.560 0.000 1.267 272 I HN 0.224 nan 8.210 nan 0.000 0.430 273 V N 4.989 124.859 119.914 -0.073 0.000 2.577 273 V HA 0.411 4.586 4.120 0.092 0.000 0.303 273 V C -0.605 175.547 176.094 0.097 0.000 1.042 273 V CA -0.604 61.685 62.300 -0.017 0.000 0.872 273 V CB 2.020 33.926 31.823 0.138 0.000 0.998 273 V HN 0.719 nan 8.190 nan 0.000 0.423 274 E N 2.867 123.041 120.200 -0.044 0.000 2.234 274 E HA 0.414 4.819 4.350 0.092 0.000 0.266 274 E C -1.038 175.551 176.600 -0.019 0.000 0.877 274 E CA -0.662 55.728 56.400 -0.016 0.000 0.758 274 E CB 2.709 32.376 29.700 -0.056 0.000 1.170 274 E HN 0.654 nan 8.360 nan 0.000 0.415 275 E N 2.321 122.544 120.200 0.037 0.000 1.893 275 E HA 0.141 4.546 4.350 0.092 0.000 0.269 275 E C -0.274 176.294 176.600 -0.054 0.000 1.129 275 E CA -0.329 56.087 56.400 0.026 0.000 0.904 275 E CB 0.683 30.446 29.700 0.105 0.000 1.077 275 E HN 0.238 nan 8.360 nan 0.000 0.407 276 V N -0.011 119.848 119.914 -0.091 0.000 2.612 276 V HA 0.360 4.535 4.120 0.092 0.000 0.301 276 V C 0.056 176.039 176.094 -0.186 0.000 1.046 276 V CA -1.137 61.080 62.300 -0.139 0.000 0.946 276 V CB 1.819 33.545 31.823 -0.162 0.000 1.003 276 V HN 0.256 nan 8.190 nan 0.000 0.459 277 D N 2.802 123.079 120.400 -0.205 0.000 2.414 277 D HA 0.573 5.268 4.640 0.092 0.000 0.242 277 D C 0.180 176.247 176.300 -0.388 0.000 1.129 277 D CA 0.662 54.498 54.000 -0.273 0.000 0.885 277 D CB 1.644 42.314 40.800 -0.216 0.000 1.198 277 D HN 1.117 nan 8.370 nan 0.000 0.437 278 A N 2.864 125.301 122.820 -0.637 0.000 2.350 278 A HA 0.763 5.139 4.320 0.092 0.000 0.324 278 A C -0.214 176.943 177.584 -0.711 0.000 1.118 278 A CA -0.736 50.778 52.037 -0.872 0.000 0.783 278 A CB 1.309 19.213 19.000 -1.826 0.000 1.236 278 A HN 0.512 nan 8.150 nan 0.000 0.457 279 R N 0.265 120.555 120.500 -0.350 0.000 2.725 279 R HA 0.784 5.179 4.340 0.092 0.000 0.277 279 R C -0.985 175.403 176.300 0.147 0.000 0.987 279 R CA -0.507 55.539 56.100 -0.091 0.000 0.901 279 R CB 2.368 32.614 30.300 -0.091 0.000 1.207 279 R HN 0.710 nan 8.270 nan 0.000 0.463 280 S N 0.945 116.847 115.700 0.337 0.000 2.537 280 S HA 0.604 5.129 4.470 0.092 0.000 0.270 280 S C -1.234 173.670 174.600 0.507 0.000 1.142 280 S CA -0.709 57.771 58.200 0.467 0.000 0.870 280 S CB 1.611 65.214 63.200 0.672 0.000 1.112 280 S HN 0.439 nan 8.310 nan 0.000 0.466 281 V N 2.302 122.348 119.914 0.219 0.000 2.960 281 V HA 0.685 4.860 4.120 0.092 0.000 0.315 281 V C -0.386 175.218 176.094 -0.817 0.000 1.087 281 V CA -1.100 61.143 62.300 -0.095 0.000 0.982 281 V CB 1.053 32.875 31.823 -0.001 0.000 1.039 281 V HN 0.953 nan 8.190 nan 0.000 0.437 282 Y N 3.724 123.288 120.300 -1.226 0.000 2.811 282 Y HA 0.239 4.844 4.550 0.091 0.000 0.334 282 Y C -1.444 174.193 175.900 -0.438 0.000 1.247 282 Y CA -0.422 57.052 58.100 -1.044 0.000 1.526 282 Y CB 1.017 39.228 38.460 -0.415 0.000 1.284 282 Y HN 0.630 nan 8.280 nan 0.000 0.586 283 P HA 0.042 nan 4.420 nan 0.000 0.249 283 P C -1.287 175.768 177.300 -0.407 0.000 1.229 283 P CA 0.579 63.021 63.100 -1.097 0.000 0.788 283 P CB -0.084 31.209 31.700 -0.679 0.000 1.072 284 Y N -0.394 119.872 120.300 -0.057 0.000 3.535 284 Y HA -0.161 4.444 4.550 0.092 0.000 0.220 284 Y C 0.303 176.292 175.900 0.149 0.000 1.477 284 Y CA 0.205 58.375 58.100 0.117 0.000 1.658 284 Y CB -2.946 35.637 38.460 0.205 0.000 1.552 284 Y HN 0.183 nan 8.280 nan 0.000 0.596 285 D N 0.419 120.922 120.400 0.172 0.000 2.427 285 D HA 0.204 4.900 4.640 0.092 0.000 0.224 285 D C 0.426 176.894 176.300 0.279 0.000 1.157 285 D CA 0.882 54.996 54.000 0.191 0.000 0.828 285 D CB 0.155 40.927 40.800 -0.046 0.000 0.974 285 D HN 0.758 nan 8.370 nan 0.000 0.498 286 E N -1.087 119.293 120.200 0.301 0.000 2.377 286 E HA 0.374 4.780 4.350 0.092 0.000 0.277 286 E C -1.495 175.284 176.600 0.298 0.000 1.190 286 E CA -1.102 55.444 56.400 0.244 0.000 0.917 286 E CB 0.328 30.173 29.700 0.240 0.000 1.296 286 E HN 0.013 nan 8.360 nan 0.000 0.417 287 F N -0.826 119.171 119.950 0.078 0.000 2.745 287 F HA 0.815 5.398 4.527 0.093 0.000 0.316 287 F C -1.057 174.596 175.800 -0.244 0.000 1.155 287 F CA -0.778 57.216 58.000 -0.011 0.000 0.937 287 F CB 0.911 39.967 39.000 0.094 0.000 1.361 287 F HN 0.509 nan 8.300 nan 0.000 0.472 288 V N -0.306 119.520 119.914 -0.147 0.000 3.166 288 V HA 0.828 5.003 4.120 0.092 0.000 0.317 288 V C -1.070 174.899 176.094 -0.209 0.000 1.136 288 V CA -1.183 60.849 62.300 -0.446 0.000 1.035 288 V CB 1.805 33.195 31.823 -0.722 0.000 1.110 288 V HN 0.940 nan 8.190 nan 0.000 0.450 289 L N 0.487 121.549 121.223 -0.269 0.000 2.309 289 L HA 0.705 5.100 4.340 0.092 0.000 0.261 289 L C 1.586 178.313 176.870 -0.238 0.000 1.021 289 L CA -0.505 54.194 54.840 -0.235 0.000 0.823 289 L CB 1.909 43.835 42.059 -0.221 0.000 1.366 289 L HN 0.827 nan 8.230 nan 0.000 0.423 290 A N -0.179 122.510 122.820 -0.219 0.000 2.084 290 A HA -0.150 4.225 4.320 0.092 0.000 0.221 290 A C 1.661 179.142 177.584 -0.171 0.000 1.161 290 A CA 2.117 54.043 52.037 -0.186 0.000 0.653 290 A CB -0.908 17.991 19.000 -0.168 0.000 0.802 290 A HN 0.852 nan 8.150 nan 0.000 0.457 291 T N -4.435 110.006 114.554 -0.190 0.000 3.235 291 T HA 0.419 4.825 4.350 0.092 0.000 0.251 291 T C 1.216 175.820 174.700 -0.160 0.000 1.060 291 T CA 0.902 62.897 62.100 -0.174 0.000 0.949 291 T CB -0.216 68.528 68.868 -0.207 0.000 1.020 291 T HN 1.664 nan 8.240 nan 0.000 0.564 292 G N 1.251 109.947 108.800 -0.172 0.000 2.143 292 G HA2 -0.199 3.816 3.960 0.092 0.000 0.248 292 G HA3 -0.199 3.816 3.960 0.092 0.000 0.248 292 G C -0.412 174.416 174.900 -0.119 0.000 0.991 292 G CA -0.017 44.993 45.100 -0.149 0.000 0.689 292 G HN 0.605 nan 8.290 nan 0.000 0.522 293 D N -0.414 119.890 120.400 -0.160 0.000 2.210 293 D HA 0.542 5.237 4.640 0.092 0.000 0.249 293 D C 0.058 176.253 176.300 -0.175 0.000 1.078 293 D CA -0.058 53.899 54.000 -0.072 0.000 0.875 293 D CB 0.852 41.612 40.800 -0.066 0.000 1.175 293 D HN 0.037 nan 8.370 nan 0.000 0.440 294 F N 0.777 120.612 119.950 -0.191 0.000 2.404 294 F HA 0.241 4.812 4.527 0.074 0.000 0.339 294 F C 0.444 175.908 175.800 -0.560 0.000 1.105 294 F CA -0.591 57.141 58.000 -0.447 0.000 1.087 294 F CB 1.438 40.038 39.000 -0.667 0.000 1.143 294 F HN -0.049 nan 8.300 nan 0.000 0.491 295 V N 5.135 124.718 119.914 -0.551 0.000 2.284 295 V HA 0.128 4.304 4.120 0.092 0.000 0.274 295 V C -0.764 175.065 176.094 -0.442 0.000 1.023 295 V CA -0.926 61.045 62.300 -0.548 0.000 0.808 295 V CB 0.180 31.409 31.823 -0.990 0.000 1.035 295 V HN 0.576 nan 8.190 nan 0.000 0.445 296 Y N 5.377 125.751 120.300 0.123 0.000 2.758 296 Y HA 0.425 5.027 4.550 0.087 0.000 0.351 296 Y C 0.418 176.393 175.900 0.125 0.000 1.214 296 Y CA 0.204 58.359 58.100 0.092 0.000 1.983 296 Y CB -0.142 38.292 38.460 -0.042 0.000 2.062 296 Y HN 0.607 nan 8.280 nan 0.000 0.416 297 M N 0.597 120.312 119.600 0.191 0.000 2.365 297 M HA 0.289 4.824 4.480 0.092 0.000 0.288 297 M C -0.948 175.556 176.300 0.340 0.000 1.152 297 M CA -0.560 54.862 55.300 0.203 0.000 0.948 297 M CB 1.713 34.441 32.600 0.212 0.000 1.729 297 M HN 0.073 nan 8.290 nan 0.000 0.487 298 S N 3.910 119.828 115.700 0.363 0.000 2.546 298 S HA 0.238 4.763 4.470 0.092 0.000 0.290 298 S C -1.938 172.915 174.600 0.421 0.000 1.290 298 S CA -0.743 57.710 58.200 0.423 0.000 1.069 298 S CB 0.594 64.049 63.200 0.425 0.000 0.846 298 S HN 0.595 nan 8.310 nan 0.000 0.495 299 P HA 0.006 nan 4.420 nan 0.000 0.228 299 P C 0.002 177.049 177.300 -0.423 0.000 1.151 299 P CA 1.108 63.886 63.100 -0.537 0.000 0.770 299 P CB -0.014 30.837 31.700 -1.416 0.000 0.786 300 F N -4.451 115.619 119.950 0.200 0.000 2.661 300 F HA 0.232 4.815 4.527 0.093 0.000 0.306 300 F C 0.968 177.044 175.800 0.461 0.000 1.094 300 F CA -0.879 57.227 58.000 0.176 0.000 1.254 300 F CB -0.407 38.557 39.000 -0.059 0.000 1.040 300 F HN -0.185 nan 8.300 nan 0.000 0.562 301 Y N 1.579 122.137 120.300 0.431 0.000 2.397 301 Y HA 0.535 5.141 4.550 0.094 0.000 0.335 301 Y C 0.510 176.497 175.900 0.146 0.000 1.213 301 Y CA 0.379 58.623 58.100 0.240 0.000 1.391 301 Y CB 0.494 39.007 38.460 0.088 0.000 1.293 301 Y HN 0.135 nan 8.280 nan 0.000 0.557 302 G N 2.959 111.242 108.800 -0.861 0.000 2.325 302 G HA2 -0.011 4.004 3.960 0.092 0.000 0.295 302 G HA3 -0.011 4.004 3.960 0.092 0.000 0.295 302 G C -0.985 173.515 174.900 -0.667 0.000 1.274 302 G CA -0.558 44.052 45.100 -0.817 0.000 0.857 302 G HN 0.619 nan 8.290 nan 0.000 0.499 303 Y N 0.170 120.203 120.300 -0.446 0.000 2.503 303 Y HA 0.248 4.854 4.550 0.093 0.000 0.278 303 Y C 1.764 177.470 175.900 -0.324 0.000 1.111 303 Y CA -0.036 57.870 58.100 -0.323 0.000 1.270 303 Y CB 0.416 38.742 38.460 -0.223 0.000 1.063 303 Y HN -0.006 nan 8.280 nan 0.000 0.548 304 R N 1.209 121.497 120.500 -0.355 0.000 2.428 304 R HA 0.167 4.562 4.340 0.092 0.000 0.294 304 R C -0.163 176.044 176.300 -0.155 0.000 1.000 304 R CA -0.409 55.501 56.100 -0.318 0.000 0.960 304 R CB 0.603 30.596 30.300 -0.513 0.000 1.076 304 R HN 0.208 nan 8.270 nan 0.000 0.475 305 E N 1.046 121.245 120.200 -0.002 0.000 2.416 305 E HA -0.235 4.170 4.350 0.092 0.000 0.249 305 E C 0.290 176.980 176.600 0.150 0.000 1.124 305 E CA 0.440 56.907 56.400 0.112 0.000 0.732 305 E CB -1.405 28.435 29.700 0.233 0.000 1.286 305 E HN 1.152 nan 8.360 nan 0.000 0.394 306 G N -0.533 108.370 108.800 0.172 0.000 2.160 306 G HA2 -0.409 3.606 3.960 0.092 0.000 0.251 306 G HA3 -0.409 3.606 3.960 0.092 0.000 0.251 306 G C 0.862 175.844 174.900 0.137 0.000 1.008 306 G CA 0.606 45.838 45.100 0.221 0.000 0.724 306 G HN 0.417 nan 8.290 nan 0.000 0.514 307 S N 0.406 116.197 115.700 0.152 0.000 2.402 307 S HA -0.110 4.415 4.470 0.092 0.000 0.229 307 S C 2.152 176.714 174.600 -0.063 0.000 1.021 307 S CA 1.436 59.683 58.200 0.079 0.000 0.974 307 S CB -0.393 62.797 63.200 -0.017 0.000 0.800 307 S HN 0.926 nan 8.310 nan 0.000 0.484 308 H N 1.123 120.092 119.070 -0.169 0.000 2.457 308 H HA -0.038 4.573 4.556 0.092 0.000 0.297 308 H C 1.627 176.999 175.328 0.074 0.000 1.092 308 H CA 1.616 57.583 56.048 -0.136 0.000 1.309 308 H CB -1.368 28.360 29.762 -0.057 0.000 1.382 308 H HN 0.204 nan 8.280 nan 0.000 0.535 309 T N 1.267 115.496 114.554 -0.541 0.000 2.737 309 T HA -0.112 4.293 4.350 0.092 0.000 0.269 309 T C 0.800 175.499 174.700 -0.001 0.000 1.040 309 T CA 1.176 63.090 62.100 -0.310 0.000 1.142 309 T CB -0.046 68.675 68.868 -0.244 0.000 0.861 309 T HN 0.418 nan 8.240 nan 0.000 0.456 310 E N 1.220 121.501 120.200 0.135 0.000 2.428 310 E HA 0.023 4.428 4.350 0.092 0.000 0.257 310 E C 0.260 177.040 176.600 0.301 0.000 1.197 310 E CA 0.053 56.619 56.400 0.277 0.000 0.974 310 E CB 0.122 30.064 29.700 0.403 0.000 0.976 310 E HN 0.476 nan 8.360 nan 0.000 0.463 311 H N 0.021 119.166 119.070 0.126 0.000 2.615 311 H HA 0.249 4.860 4.556 0.091 0.000 0.363 311 H C -0.665 174.559 175.328 -0.174 0.000 1.148 311 H CA 0.438 56.487 56.048 0.002 0.000 1.401 311 H CB 1.188 30.956 29.762 0.011 0.000 1.461 311 H HN 0.366 nan 8.280 nan 0.000 0.588 312 T N 1.976 115.801 114.554 -1.215 0.000 3.047 312 T HA 0.208 4.613 4.350 0.092 0.000 0.340 312 T C -0.278 173.910 174.700 -0.854 0.000 1.421 312 T CA -0.477 61.026 62.100 -0.994 0.000 1.090 312 T CB 0.964 69.267 68.868 -0.943 0.000 1.292 312 T HN 0.564 nan 8.240 nan 0.000 0.480 313 S N 2.046 117.393 115.700 -0.587 0.000 2.539 313 S HA 0.328 4.854 4.470 0.092 0.000 0.221 313 S C -0.489 173.808 174.600 -0.505 0.000 0.987 313 S CA -0.157 57.737 58.200 -0.510 0.000 0.929 313 S CB 0.003 62.894 63.200 -0.514 0.000 0.832 313 S HN 0.655 nan 8.310 nan 0.000 0.492 314 Y N 1.489 121.716 120.300 -0.122 0.000 2.457 314 Y HA 0.686 5.289 4.550 0.088 0.000 0.333 314 Y C 0.593 176.473 175.900 -0.033 0.000 1.119 314 Y CA -1.359 56.713 58.100 -0.046 0.000 1.143 314 Y CB 0.552 39.013 38.460 0.001 0.000 1.230 314 Y HN 0.049 nan 8.280 nan 0.000 0.469 315 A N 1.131 124.051 122.820 0.167 0.000 2.507 315 A HA 0.370 4.745 4.320 0.092 0.000 0.235 315 A C 1.423 179.094 177.584 0.146 0.000 1.070 315 A CA 0.296 52.401 52.037 0.114 0.000 0.768 315 A CB -0.281 18.776 19.000 0.095 0.000 1.011 315 A HN 1.069 nan 8.150 nan 0.000 0.502 316 A N 1.026 123.922 122.820 0.127 0.000 1.940 316 A HA -0.181 4.194 4.320 0.092 0.000 0.219 316 A C 1.649 179.342 177.584 0.181 0.000 1.176 316 A CA 1.977 54.118 52.037 0.174 0.000 0.631 316 A CB -0.705 18.376 19.000 0.134 0.000 0.814 316 A HN 0.930 nan 8.150 nan 0.000 0.446 317 D N -0.241 120.228 120.400 0.115 0.000 2.263 317 D HA -0.200 4.495 4.640 0.092 0.000 0.208 317 D C 1.702 178.049 176.300 0.078 0.000 0.971 317 D CA 1.051 55.096 54.000 0.076 0.000 0.867 317 D CB -0.562 40.270 40.800 0.054 0.000 0.929 317 D HN 0.515 nan 8.370 nan 0.000 0.492 318 R N -1.101 119.469 120.500 0.117 0.000 2.307 318 R HA 0.116 4.512 4.340 0.092 0.000 0.199 318 R C 0.170 176.546 176.300 0.126 0.000 1.000 318 R CA -0.027 56.126 56.100 0.089 0.000 1.023 318 R CB -0.016 30.325 30.300 0.069 0.000 0.908 318 R HN 0.173 nan 8.270 nan 0.000 0.473 319 F N 0.947 120.912 119.950 0.025 0.000 2.507 319 F HA 0.407 4.989 4.527 0.090 0.000 0.327 319 F C -0.631 175.141 175.800 -0.046 0.000 1.068 319 F CA -0.771 57.245 58.000 0.027 0.000 0.965 319 F CB 1.187 40.268 39.000 0.135 0.000 1.192 319 F HN -0.385 nan 8.300 nan 0.000 0.476 320 K N 3.881 123.636 120.400 -1.075 0.000 2.542 320 K HA 0.212 4.587 4.320 0.092 0.000 0.259 320 K C -1.811 174.094 176.600 -1.158 0.000 0.932 320 K CA -0.733 55.052 56.287 -0.837 0.000 0.820 320 K CB 2.106 34.139 32.500 -0.779 0.000 1.345 320 K HN 0.750 nan 8.250 nan 0.000 0.432 321 Q N 2.394 121.789 119.800 -0.675 0.000 2.490 321 Q HA 0.290 4.685 4.340 0.092 0.000 0.255 321 Q C -1.115 174.759 176.000 -0.209 0.000 0.997 321 Q CA -0.522 54.945 55.803 -0.559 0.000 0.709 321 Q CB 1.486 29.809 28.738 -0.693 0.000 1.255 321 Q HN 0.354 nan 8.270 nan 0.000 0.486 322 V N 3.726 123.545 119.914 -0.160 0.000 2.686 322 V HA 0.176 4.351 4.120 0.092 0.000 0.295 322 V C 0.169 176.266 176.094 0.005 0.000 1.055 322 V CA 0.136 62.439 62.300 0.005 0.000 1.050 322 V CB 1.232 33.111 31.823 0.093 0.000 0.984 322 V HN 0.734 nan 8.190 nan 0.000 0.482 323 D N 3.028 123.461 120.400 0.054 0.000 2.228 323 D HA 0.434 5.129 4.640 0.092 0.000 0.247 323 D C 0.939 177.286 176.300 0.079 0.000 0.995 323 D CA 0.267 54.292 54.000 0.043 0.000 0.903 323 D CB 1.815 42.629 40.800 0.023 0.000 1.205 323 D HN 0.883 nan 8.370 nan 0.000 0.459 324 G N 1.344 110.167 108.800 0.039 0.000 2.283 324 G HA2 -0.304 3.712 3.960 0.092 0.000 0.280 324 G HA3 -0.304 3.712 3.960 0.092 0.000 0.280 324 G C -0.004 174.893 174.900 -0.004 0.000 1.029 324 G CA 0.024 45.124 45.100 -0.000 0.000 0.840 324 G HN 0.451 nan 8.290 nan 0.000 0.505 325 F N 0.875 120.743 119.950 -0.137 0.000 2.467 325 F HA 0.583 5.165 4.527 0.093 0.000 0.362 325 F C 0.181 175.861 175.800 -0.199 0.000 1.090 325 F CA -0.953 56.992 58.000 -0.092 0.000 1.202 325 F CB 0.374 39.332 39.000 -0.069 0.000 1.113 325 F HN 0.132 nan 8.300 nan 0.000 0.541 326 Y N 5.647 125.548 120.300 -0.664 0.000 2.491 326 Y HA 0.533 5.139 4.550 0.092 0.000 0.334 326 Y C 0.441 175.900 175.900 -0.735 0.000 0.969 326 Y CA -0.859 56.947 58.100 -0.490 0.000 1.241 326 Y CB 0.736 39.024 38.460 -0.287 0.000 1.105 326 Y HN 0.776 nan 8.280 nan 0.000 0.503 327 A N 4.634 127.252 122.820 -0.336 0.000 2.477 327 A HA 0.389 4.764 4.320 0.092 0.000 0.246 327 A C 0.153 177.695 177.584 -0.070 0.000 1.078 327 A CA -0.462 51.497 52.037 -0.130 0.000 0.770 327 A CB 0.271 19.384 19.000 0.190 0.000 1.011 327 A HN 0.803 nan 8.150 nan 0.000 0.494 328 R N 2.683 123.136 120.500 -0.078 0.000 2.320 328 R HA 0.118 4.513 4.340 0.092 0.000 0.319 328 R C -1.037 175.222 176.300 -0.070 0.000 0.969 328 R CA -0.592 55.466 56.100 -0.070 0.000 0.857 328 R CB 0.604 30.844 30.300 -0.100 0.000 1.160 328 R HN 0.898 nan 8.270 nan 0.000 0.491 329 D N 5.012 125.390 120.400 -0.036 0.000 2.502 329 D HA -0.091 4.604 4.640 0.092 0.000 0.249 329 D C 1.331 177.566 176.300 -0.109 0.000 1.188 329 D CA 0.349 54.328 54.000 -0.035 0.000 0.890 329 D CB 0.889 41.710 40.800 0.035 0.000 1.140 329 D HN 0.644 nan 8.370 nan 0.000 0.505 330 L N 3.136 124.175 121.223 -0.306 0.000 2.187 330 L HA -0.227 4.168 4.340 0.092 0.000 0.213 330 L C 2.153 178.926 176.870 -0.162 0.000 1.100 330 L CA 1.116 55.660 54.840 -0.493 0.000 0.765 330 L CB -0.224 40.959 42.059 -1.459 0.000 0.904 330 L HN 0.450 nan 8.230 nan 0.000 0.437 331 T N -2.155 112.461 114.554 0.103 0.000 2.837 331 T HA -0.120 4.285 4.350 0.092 0.000 0.242 331 T C 1.810 176.570 174.700 0.099 0.000 1.044 331 T CA 1.460 63.691 62.100 0.219 0.000 1.202 331 T CB -0.456 68.608 68.868 0.328 0.000 0.905 331 T HN 0.423 nan 8.240 nan 0.000 0.413 332 T N 0.524 115.130 114.554 0.086 0.000 3.025 332 T HA -0.027 4.378 4.350 0.092 0.000 0.270 332 T C 0.974 175.685 174.700 0.020 0.000 1.126 332 T CA 0.969 63.099 62.100 0.050 0.000 1.105 332 T CB -0.683 68.214 68.868 0.050 0.000 0.884 332 T HN 0.538 nan 8.240 nan 0.000 0.522 333 K N -0.071 120.329 120.400 0.001 0.000 3.274 333 K HA -0.171 4.204 4.320 0.092 0.000 0.305 333 K C 0.277 176.862 176.600 -0.026 0.000 1.225 333 K CA 0.387 56.657 56.287 -0.028 0.000 0.904 333 K CB -2.286 30.199 32.500 -0.025 0.000 1.227 333 K HN 0.691 nan 8.250 nan 0.000 0.453 334 A N 2.177 124.991 122.820 -0.009 0.000 2.376 334 A HA 0.239 4.614 4.320 0.092 0.000 0.298 334 A C 0.448 178.026 177.584 -0.010 0.000 1.271 334 A CA -0.257 51.776 52.037 -0.006 0.000 0.926 334 A CB 0.186 19.192 19.000 0.011 0.000 1.141 334 A HN 0.321 nan 8.150 nan 0.000 0.539 335 R N 2.506 122.989 120.500 -0.028 0.000 2.698 335 R HA 0.306 4.701 4.340 0.092 0.000 0.266 335 R C 0.697 177.009 176.300 0.021 0.000 1.026 335 R CA 0.412 56.493 56.100 -0.031 0.000 1.102 335 R CB 0.379 30.630 30.300 -0.082 0.000 0.978 335 R HN 0.835 nan 8.270 nan 0.000 0.436 336 A N 2.157 125.028 122.820 0.084 0.000 2.409 336 A HA 0.057 4.433 4.320 0.092 0.000 0.246 336 A C 1.184 178.889 177.584 0.202 0.000 1.099 336 A CA 0.388 52.513 52.037 0.146 0.000 0.789 336 A CB 0.234 19.325 19.000 0.152 0.000 1.053 336 A HN 0.945 nan 8.150 nan 0.000 0.503 337 T N -1.893 112.760 114.554 0.166 0.000 3.046 337 T HA 0.499 4.904 4.350 0.092 0.000 0.242 337 T C 0.667 175.502 174.700 0.225 0.000 1.018 337 T CA 0.722 62.918 62.100 0.159 0.000 1.131 337 T CB -0.220 68.701 68.868 0.087 0.000 0.904 337 T HN 1.424 nan 8.240 nan 0.000 0.459 338 A N 2.517 125.415 122.820 0.129 0.000 2.355 338 A HA 0.803 5.178 4.320 0.092 0.000 0.324 338 A C -2.886 174.588 177.584 -0.184 0.000 1.117 338 A CA -1.946 50.113 52.037 0.038 0.000 0.785 338 A CB 0.880 19.896 19.000 0.027 0.000 1.254 338 A HN 0.245 nan 8.150 nan 0.000 0.453 339 P HA 0.528 nan 4.420 nan 0.000 0.276 339 P C -0.182 176.996 177.300 -0.204 0.000 1.252 339 P CA -0.095 62.641 63.100 -0.607 0.000 0.802 339 P CB 1.095 32.453 31.700 -0.571 0.000 1.035 340 T N -3.796 110.696 114.554 -0.104 0.000 2.887 340 T HA 0.465 4.870 4.350 0.092 0.000 0.292 340 T C -0.470 174.259 174.700 0.049 0.000 1.087 340 T CA -0.687 61.426 62.100 0.022 0.000 1.009 340 T CB 0.631 69.543 68.868 0.074 0.000 1.203 340 T HN 0.150 nan 8.240 nan 0.000 0.518 341 T N 2.008 116.600 114.554 0.064 0.000 3.579 341 T HA 0.336 4.741 4.350 0.092 0.000 0.328 341 T C 0.265 174.911 174.700 -0.089 0.000 1.481 341 T CA -0.540 61.571 62.100 0.018 0.000 1.144 341 T CB -0.428 68.495 68.868 0.092 0.000 1.205 341 T HN 0.500 nan 8.240 nan 0.000 0.812 342 R N 3.194 123.588 120.500 -0.176 0.000 2.458 342 R HA 0.115 4.510 4.340 0.092 0.000 0.303 342 R C -0.211 175.796 176.300 -0.487 0.000 1.013 342 R CA -0.094 55.762 56.100 -0.406 0.000 1.026 342 R CB -0.319 29.446 30.300 -0.891 0.000 0.948 342 R HN 0.299 nan 8.270 nan 0.000 0.417 343 N N 3.724 122.041 118.700 -0.639 0.000 2.499 343 N HA 0.358 5.153 4.740 0.092 0.000 0.281 343 N C -0.979 174.124 175.510 -0.678 0.000 1.098 343 N CA -0.171 52.366 53.050 -0.856 0.000 0.979 343 N CB 0.927 38.562 38.487 -1.419 0.000 1.121 343 N HN 0.401 nan 8.380 nan 0.000 0.466 344 L N 2.047 122.898 121.223 -0.620 0.000 2.438 344 L HA 0.507 4.902 4.340 0.092 0.000 0.270 344 L C -1.291 175.456 176.870 -0.206 0.000 0.972 344 L CA -0.830 53.856 54.840 -0.256 0.000 0.831 344 L CB 1.832 43.815 42.059 -0.127 0.000 1.273 344 L HN 0.228 nan 8.230 nan 0.000 0.405 345 L N 3.276 124.569 121.223 0.117 0.000 2.376 345 L HA 0.560 4.955 4.340 0.092 0.000 0.275 345 L C 0.032 176.945 176.870 0.072 0.000 0.987 345 L CA 0.014 54.938 54.840 0.140 0.000 0.828 345 L CB 2.068 44.319 42.059 0.321 0.000 1.249 345 L HN 0.614 nan 8.230 nan 0.000 0.409 346 T N 0.633 115.181 114.554 -0.010 0.000 2.891 346 T HA 0.448 4.853 4.350 0.092 0.000 0.315 346 T C 0.459 175.050 174.700 -0.181 0.000 1.054 346 T CA -0.148 61.932 62.100 -0.033 0.000 0.958 346 T CB -0.121 68.766 68.868 0.032 0.000 1.008 346 T HN 0.765 nan 8.240 nan 0.000 0.521 347 T N 1.412 115.756 114.554 -0.351 0.000 2.788 347 T HA 0.319 4.724 4.350 0.092 0.000 0.287 347 T C -1.656 172.866 174.700 -0.297 0.000 1.007 347 T CA -1.704 60.116 62.100 -0.467 0.000 1.005 347 T CB 0.386 68.760 68.868 -0.823 0.000 1.012 347 T HN 0.122 nan 8.240 nan 0.000 0.530 348 P HA -0.038 nan 4.420 nan 0.000 0.221 348 P C 1.158 178.388 177.300 -0.117 0.000 1.145 348 P CA 1.017 64.078 63.100 -0.065 0.000 0.795 348 P CB 0.125 31.827 31.700 0.003 0.000 0.775 349 K N -2.159 118.091 120.400 -0.251 0.000 2.391 349 K HA 0.241 4.617 4.320 0.092 0.000 0.197 349 K C 0.716 177.309 176.600 -0.011 0.000 1.087 349 K CA 0.388 56.588 56.287 -0.146 0.000 1.012 349 K CB 0.565 33.047 32.500 -0.031 0.000 0.925 349 K HN 0.289 nan 8.250 nan 0.000 0.547 350 F N -2.071 117.857 119.950 -0.036 0.000 3.397 350 F HA 0.499 5.077 4.527 0.085 0.000 0.327 350 F C -1.174 174.689 175.800 0.105 0.000 1.143 350 F CA -1.186 56.847 58.000 0.055 0.000 0.864 350 F CB 0.830 39.831 39.000 0.002 0.000 1.530 350 F HN -0.356 nan 8.300 nan 0.000 0.498 351 T N 1.192 116.096 114.554 0.584 0.000 2.912 351 T HA 0.694 5.100 4.350 0.092 0.000 0.299 351 T C -1.563 173.507 174.700 0.616 0.000 1.052 351 T CA -0.651 61.727 62.100 0.463 0.000 0.996 351 T CB 2.116 71.214 68.868 0.384 0.000 1.070 351 T HN 0.637 nan 8.240 nan 0.000 0.465 352 V N 1.692 121.932 119.914 0.543 0.000 2.588 352 V HA 0.895 5.070 4.120 0.092 0.000 0.304 352 V C -0.145 176.326 176.094 0.629 0.000 1.042 352 V CA -0.918 61.724 62.300 0.570 0.000 0.877 352 V CB 1.595 33.780 31.823 0.603 0.000 0.996 352 V HN 1.121 nan 8.190 nan 0.000 0.425 353 A N 4.179 127.357 122.820 0.597 0.000 2.356 353 A HA 1.063 5.438 4.320 0.092 0.000 0.323 353 A C -1.251 176.697 177.584 0.606 0.000 1.119 353 A CA -0.608 51.706 52.037 0.463 0.000 0.790 353 A CB 1.537 20.773 19.000 0.393 0.000 1.273 353 A HN 1.682 nan 8.150 nan 0.000 0.452 354 W N 0.575 121.945 121.300 0.116 0.000 3.338 354 W HA 0.486 5.205 4.660 0.097 0.000 0.299 354 W C -1.976 174.593 176.519 0.084 0.000 1.226 354 W CA -0.743 56.680 57.345 0.130 0.000 1.183 354 W CB 0.245 29.844 29.460 0.232 0.000 1.360 354 W HN 0.519 nan 8.180 nan 0.000 0.569 355 D N 2.089 122.568 120.400 0.131 0.000 2.425 355 D HA 0.017 4.712 4.640 0.092 0.000 0.247 355 D C -0.746 175.547 176.300 -0.012 0.000 1.147 355 D CA 0.649 54.664 54.000 0.025 0.000 0.879 355 D CB 0.633 41.494 40.800 0.101 0.000 1.179 355 D HN 0.540 nan 8.370 nan 0.000 0.456 356 W N 4.747 125.909 121.300 -0.230 0.000 2.345 356 W HA 0.363 5.078 4.660 0.091 0.000 0.308 356 W C -0.583 175.926 176.519 -0.017 0.000 1.273 356 W CA -0.551 56.703 57.345 -0.151 0.000 1.243 356 W CB 0.398 29.745 29.460 -0.187 0.000 1.260 356 W HN 0.150 nan 8.180 nan 0.000 0.509 357 V N 4.994 124.466 119.914 -0.737 0.000 2.864 357 V HA 0.705 4.880 4.120 0.092 0.000 0.314 357 V C -2.468 172.914 176.094 -1.186 0.000 1.073 357 V CA -3.226 58.599 62.300 -0.792 0.000 0.956 357 V CB 1.358 33.022 31.823 -0.265 0.000 1.023 357 V HN 0.470 nan 8.190 nan 0.000 0.435 358 P HA 0.206 nan 4.420 nan 0.000 0.270 358 P C 0.361 177.403 177.300 -0.431 0.000 1.223 358 P CA -0.161 62.569 63.100 -0.618 0.000 0.785 358 P CB 0.773 32.281 31.700 -0.320 0.000 0.923 359 K N 1.921 122.031 120.400 -0.483 0.000 1.965 359 K HA -0.117 4.258 4.320 0.092 0.000 0.214 359 K C 1.986 178.156 176.600 -0.716 0.000 1.042 359 K CA 1.187 56.847 56.287 -1.045 0.000 0.950 359 K CB -0.234 31.756 32.500 -0.851 0.000 0.733 359 K HN 0.201 nan 8.250 nan 0.000 0.441 360 R N 0.029 120.277 120.500 -0.421 0.000 2.134 360 R HA -0.167 4.228 4.340 0.092 0.000 0.248 360 R C -0.781 175.388 176.300 -0.219 0.000 1.143 360 R CA 2.039 57.974 56.100 -0.275 0.000 0.957 360 R CB -1.405 28.795 30.300 -0.166 0.000 0.867 360 R HN 0.344 nan 8.270 nan 0.000 0.441 361 P HA 0.036 nan 4.420 nan 0.000 0.234 361 P C 0.400 177.643 177.300 -0.095 0.000 1.167 361 P CA 1.122 64.152 63.100 -0.116 0.000 0.763 361 P CB 0.383 32.024 31.700 -0.099 0.000 0.835 362 S N -1.635 113.966 115.700 -0.164 0.000 2.539 362 S HA 0.141 4.666 4.470 0.092 0.000 0.226 362 S C 0.737 175.316 174.600 -0.034 0.000 1.054 362 S CA -0.122 58.054 58.200 -0.040 0.000 0.910 362 S CB 0.204 63.419 63.200 0.025 0.000 0.818 362 S HN 0.009 nan 8.310 nan 0.000 0.490 363 V N -1.200 118.562 119.914 -0.254 0.000 2.914 363 V HA 0.854 5.029 4.120 0.092 0.000 0.314 363 V C -0.722 175.322 176.094 -0.083 0.000 1.084 363 V CA -1.113 61.063 62.300 -0.206 0.000 0.963 363 V CB 1.298 32.757 31.823 -0.607 0.000 1.025 363 V HN 0.180 nan 8.190 nan 0.000 0.432 364 c N 2.666 121.291 118.600 0.042 0.000 2.880 364 c HA 0.694 5.320 4.570 0.092 0.000 0.320 364 c C 1.538 175.696 174.090 0.114 0.000 1.176 364 c CA 0.553 56.918 56.329 0.060 0.000 1.390 364 c CB 1.770 44.308 42.510 0.047 0.000 1.846 364 c HN 1.269 nan 8.230 nan 0.000 0.478 365 T N 1.104 115.697 114.554 0.066 0.000 3.081 365 T HA 0.219 4.624 4.350 0.092 0.000 0.255 365 T C 0.664 175.353 174.700 -0.018 0.000 1.113 365 T CA 0.474 62.579 62.100 0.009 0.000 1.082 365 T CB -0.040 68.774 68.868 -0.090 0.000 0.939 365 T HN 0.531 nan 8.240 nan 0.000 0.506 366 M N 1.624 121.228 119.600 0.008 0.000 2.762 366 M HA 0.533 5.068 4.480 0.092 0.000 0.306 366 M C -0.815 175.566 176.300 0.136 0.000 1.223 366 M CA -0.448 54.876 55.300 0.040 0.000 0.896 366 M CB 1.739 34.334 32.600 -0.007 0.000 1.684 366 M HN -0.060 nan 8.290 nan 0.000 0.491 367 T N 0.814 115.493 114.554 0.208 0.000 2.937 367 T HA 0.277 4.682 4.350 0.092 0.000 0.297 367 T C -0.423 174.443 174.700 0.277 0.000 0.991 367 T CA -0.818 61.413 62.100 0.218 0.000 0.990 367 T CB 1.862 70.797 68.868 0.112 0.000 0.991 367 T HN 0.572 nan 8.240 nan 0.000 0.440 368 K N 1.904 122.444 120.400 0.232 0.000 2.472 368 K HA 0.009 4.384 4.320 0.092 0.000 0.280 368 K C -0.031 176.592 176.600 0.038 0.000 1.028 368 K CA 0.118 56.334 56.287 -0.119 0.000 1.045 368 K CB 0.377 32.826 32.500 -0.086 0.000 0.902 368 K HN 0.702 nan 8.250 nan 0.000 0.478 369 W N 3.413 124.564 121.300 -0.248 0.000 3.412 369 W HA 0.193 4.909 4.660 0.093 0.000 0.236 369 W C -0.502 175.959 176.519 -0.097 0.000 1.030 369 W CA 0.538 57.824 57.345 -0.098 0.000 1.850 369 W CB 0.753 30.206 29.460 -0.012 0.000 0.979 369 W HN 0.464 nan 8.180 nan 0.000 0.716 370 Q N 1.225 120.867 119.800 -0.264 0.000 2.315 370 Q HA 0.222 4.618 4.340 0.092 0.000 0.273 370 Q C -1.400 174.437 176.000 -0.272 0.000 1.053 370 Q CA -0.379 55.177 55.803 -0.411 0.000 0.817 370 Q CB 2.058 30.380 28.738 -0.693 0.000 1.326 370 Q HN 0.180 nan 8.270 nan 0.000 0.423 371 E N 1.758 121.839 120.200 -0.198 0.000 2.042 371 E HA 0.281 4.686 4.350 0.092 0.000 0.260 371 E C -0.534 176.008 176.600 -0.098 0.000 0.975 371 E CA -0.350 55.974 56.400 -0.127 0.000 0.799 371 E CB 1.229 30.880 29.700 -0.081 0.000 1.131 371 E HN 0.178 nan 8.360 nan 0.000 0.423 372 V N 3.834 123.698 119.914 -0.084 0.000 2.405 372 V HA -0.036 4.139 4.120 0.092 0.000 0.264 372 V C 0.708 176.809 176.094 0.011 0.000 1.048 372 V CA -0.032 62.244 62.300 -0.041 0.000 0.966 372 V CB 0.811 32.626 31.823 -0.013 0.000 1.015 372 V HN 0.557 nan 8.190 nan 0.000 0.477 373 D N 3.015 123.431 120.400 0.026 0.000 2.117 373 D HA -0.072 4.623 4.640 0.092 0.000 0.198 373 D C 0.719 177.113 176.300 0.156 0.000 0.982 373 D CA 1.371 55.425 54.000 0.091 0.000 0.828 373 D CB 0.248 41.090 40.800 0.070 0.000 0.967 373 D HN 0.728 nan 8.370 nan 0.000 0.464 374 E N -0.070 120.204 120.200 0.123 0.000 2.593 374 E HA 0.241 4.646 4.350 0.092 0.000 0.232 374 E C -0.835 175.859 176.600 0.157 0.000 1.026 374 E CA -0.486 56.011 56.400 0.162 0.000 0.772 374 E CB 1.257 31.036 29.700 0.132 0.000 1.310 374 E HN -0.030 nan 8.360 nan 0.000 0.413 375 M N 3.538 123.260 119.600 0.203 0.000 2.113 375 M HA 0.339 4.874 4.480 0.092 0.000 0.352 375 M C -1.736 174.776 176.300 0.354 0.000 1.170 375 M CA -0.475 55.000 55.300 0.292 0.000 1.053 375 M CB 0.449 33.278 32.600 0.381 0.000 1.601 375 M HN 0.357 nan 8.290 nan 0.000 0.459 376 L N 4.900 126.285 121.223 0.269 0.000 2.322 376 L HA 0.677 5.073 4.340 0.092 0.000 0.279 376 L C -0.184 176.744 176.870 0.097 0.000 1.036 376 L CA -0.695 54.292 54.840 0.245 0.000 0.807 376 L CB 1.653 43.873 42.059 0.268 0.000 1.226 376 L HN 0.711 nan 8.230 nan 0.000 0.433 377 R N 1.786 122.254 120.500 -0.054 0.000 2.628 377 R HA 0.733 5.128 4.340 0.092 0.000 0.288 377 R C -1.440 174.622 176.300 -0.397 0.000 0.980 377 R CA -0.315 55.490 56.100 -0.492 0.000 0.891 377 R CB 2.097 31.781 30.300 -1.027 0.000 1.188 377 R HN 0.794 nan 8.270 nan 0.000 0.450 378 S N 1.547 116.993 115.700 -0.423 0.000 2.535 378 S HA 0.204 4.730 4.470 0.092 0.000 0.272 378 S C -1.143 173.387 174.600 -0.117 0.000 1.149 378 S CA -1.059 56.898 58.200 -0.405 0.000 0.888 378 S CB 1.678 64.309 63.200 -0.949 0.000 1.110 378 S HN 0.742 nan 8.310 nan 0.000 0.463 379 E N 1.204 121.338 120.200 -0.110 0.000 2.313 379 E HA 0.375 4.780 4.350 0.092 0.000 0.276 379 E C -1.698 174.724 176.600 -0.296 0.000 1.031 379 E CA -0.508 55.845 56.400 -0.079 0.000 0.857 379 E CB 0.596 30.228 29.700 -0.113 0.000 1.040 379 E HN 0.698 nan 8.360 nan 0.000 0.408 380 Y N 2.407 122.652 120.300 -0.091 0.000 2.484 380 Y HA 0.308 4.913 4.550 0.092 0.000 0.348 380 Y C 0.144 176.009 175.900 -0.058 0.000 1.103 380 Y CA -0.061 58.000 58.100 -0.064 0.000 1.317 380 Y CB 1.854 40.291 38.460 -0.037 0.000 1.096 380 Y HN 0.827 nan 8.280 nan 0.000 0.568 381 G N 1.416 110.229 108.800 0.023 0.000 2.462 381 G HA2 0.118 4.133 3.960 0.092 0.000 0.283 381 G HA3 0.118 4.133 3.960 0.092 0.000 0.283 381 G C 0.888 175.774 174.900 -0.023 0.000 1.043 381 G CA 0.394 45.499 45.100 0.009 0.000 1.300 381 G HN 1.694 nan 8.290 nan 0.000 0.518 382 G N -1.432 107.322 108.800 -0.077 0.000 2.179 382 G HA2 0.078 4.093 3.960 0.092 0.000 0.257 382 G HA3 0.078 4.093 3.960 0.092 0.000 0.257 382 G C 0.440 175.266 174.900 -0.123 0.000 1.010 382 G CA 1.052 46.093 45.100 -0.098 0.000 0.736 382 G HN 1.949 nan 8.290 nan 0.000 0.513 383 S N -1.614 113.992 115.700 -0.157 0.000 2.596 383 S HA 0.781 5.306 4.470 0.092 0.000 0.270 383 S C -1.189 173.292 174.600 -0.199 0.000 1.155 383 S CA -0.780 57.335 58.200 -0.142 0.000 0.827 383 S CB 1.514 64.720 63.200 0.010 0.000 1.130 383 S HN 0.309 nan 8.310 nan 0.000 0.467 384 F N 1.596 121.506 119.950 -0.067 0.000 2.470 384 F HA 0.591 5.173 4.527 0.092 0.000 0.329 384 F C 0.681 176.353 175.800 -0.214 0.000 1.072 384 F CA -1.001 56.836 58.000 -0.271 0.000 0.989 384 F CB 1.188 39.864 39.000 -0.541 0.000 1.193 384 F HN 0.291 nan 8.300 nan 0.000 0.481 385 R N 2.618 123.067 120.500 -0.084 0.000 2.358 385 R HA 0.345 4.740 4.340 0.092 0.000 0.309 385 R C -1.701 174.483 176.300 -0.194 0.000 1.026 385 R CA -0.478 55.605 56.100 -0.028 0.000 0.909 385 R CB 0.777 31.122 30.300 0.075 0.000 1.153 385 R HN 0.373 nan 8.270 nan 0.000 0.515 386 F N 1.947 121.934 119.950 0.062 0.000 2.375 386 F HA 0.206 4.789 4.527 0.092 0.000 0.362 386 F C 0.636 176.528 175.800 0.153 0.000 1.129 386 F CA -0.382 57.631 58.000 0.022 0.000 1.154 386 F CB 1.263 40.246 39.000 -0.029 0.000 1.205 386 F HN 0.302 nan 8.300 nan 0.000 0.513 387 S N 1.141 117.010 115.700 0.281 0.000 2.473 387 S HA 0.588 5.113 4.470 0.092 0.000 0.307 387 S C -0.449 174.314 174.600 0.272 0.000 1.094 387 S CA -0.866 57.508 58.200 0.288 0.000 1.070 387 S CB 1.733 65.103 63.200 0.284 0.000 1.019 387 S HN 0.445 nan 8.310 nan 0.000 0.480 388 S N 1.296 117.114 115.700 0.197 0.000 2.433 388 S HA 0.344 4.869 4.470 0.092 0.000 0.310 388 S C -0.135 174.448 174.600 -0.027 0.000 1.097 388 S CA -0.645 57.606 58.200 0.084 0.000 1.103 388 S CB 0.621 63.819 63.200 -0.002 0.000 0.992 388 S HN 0.657 nan 8.310 nan 0.000 0.469 389 D N 3.851 124.314 120.400 0.105 0.000 2.317 389 D HA 0.133 4.828 4.640 0.092 0.000 0.211 389 D C 1.968 178.176 176.300 -0.153 0.000 0.966 389 D CA 1.042 55.089 54.000 0.079 0.000 0.876 389 D CB 0.033 40.949 40.800 0.194 0.000 0.927 389 D HN 0.612 nan 8.370 nan 0.000 0.519 390 A N 0.748 123.491 122.820 -0.128 0.000 1.969 390 A HA -0.035 4.341 4.320 0.092 0.000 0.218 390 A C 1.857 179.310 177.584 -0.219 0.000 1.169 390 A CA 0.872 52.826 52.037 -0.139 0.000 0.635 390 A CB -0.513 18.432 19.000 -0.092 0.000 0.810 390 A HN 0.426 nan 8.150 nan 0.000 0.445 391 I N -5.622 114.763 120.570 -0.309 0.000 3.947 391 I HA 0.303 4.528 4.170 0.092 0.000 0.327 391 I C 0.122 175.910 176.117 -0.548 0.000 1.519 391 I CA 0.170 61.258 61.300 -0.352 0.000 1.122 391 I CB 0.110 37.925 38.000 -0.309 0.000 1.146 391 I HN -0.009 nan 8.210 nan 0.000 0.442 392 S N 0.923 116.071 115.700 -0.920 0.000 3.549 392 S HA -0.163 4.362 4.470 0.092 0.000 0.366 392 S C 0.383 174.206 174.600 -1.295 0.000 1.012 392 S CA 1.291 58.451 58.200 -1.734 0.000 1.141 392 S CB -2.039 60.685 63.200 -0.792 0.000 0.910 392 S HN 0.795 nan 8.310 nan 0.000 0.471 393 T N 1.200 115.198 114.554 -0.927 0.000 2.924 393 T HA 0.705 5.110 4.350 0.092 0.000 0.291 393 T C -0.084 174.487 174.700 -0.216 0.000 1.045 393 T CA -0.596 61.206 62.100 -0.498 0.000 1.015 393 T CB 2.142 70.682 68.868 -0.546 0.000 1.103 393 T HN 0.098 nan 8.240 nan 0.000 0.496 394 T N 2.177 116.517 114.554 -0.357 0.000 3.355 394 T HA 0.464 4.869 4.350 0.092 0.000 0.324 394 T C -1.150 173.365 174.700 -0.308 0.000 0.932 394 T CA -0.489 61.532 62.100 -0.132 0.000 1.032 394 T CB 0.104 69.013 68.868 0.069 0.000 1.027 394 T HN 0.354 nan 8.240 nan 0.000 0.456 395 F N 1.541 121.532 119.950 0.069 0.000 2.399 395 F HA 0.634 5.216 4.527 0.092 0.000 0.328 395 F C 1.103 177.045 175.800 0.236 0.000 1.084 395 F CA -0.649 57.409 58.000 0.097 0.000 1.053 395 F CB 1.507 40.538 39.000 0.052 0.000 1.209 395 F HN 0.256 nan 8.300 nan 0.000 0.502 396 T N 0.748 115.572 114.554 0.449 0.000 2.840 396 T HA 0.520 4.925 4.350 0.092 0.000 0.287 396 T C -0.234 174.693 174.700 0.379 0.000 0.991 396 T CA -0.806 61.512 62.100 0.362 0.000 0.964 396 T CB 1.298 70.323 68.868 0.262 0.000 0.954 396 T HN 0.783 nan 8.240 nan 0.000 0.438 397 T N 0.999 115.794 114.554 0.401 0.000 2.831 397 T HA 0.595 5.001 4.350 0.092 0.000 0.287 397 T C -0.113 174.754 174.700 0.279 0.000 1.070 397 T CA -0.959 61.370 62.100 0.381 0.000 1.010 397 T CB 1.136 70.306 68.868 0.503 0.000 1.264 397 T HN 0.260 nan 8.240 nan 0.000 0.532 398 N N 0.150 119.007 118.700 0.262 0.000 2.294 398 N HA 0.269 5.064 4.740 0.092 0.000 0.248 398 N C 0.896 176.461 175.510 0.091 0.000 1.300 398 N CA -0.609 52.529 53.050 0.147 0.000 0.925 398 N CB 0.067 38.652 38.487 0.163 0.000 1.188 398 N HN 0.596 nan 8.380 nan 0.000 0.512 399 L N -0.326 120.827 121.223 -0.117 0.000 2.612 399 L HA 0.080 4.475 4.340 0.092 0.000 0.230 399 L C 0.551 177.520 176.870 0.165 0.000 1.140 399 L CA 0.296 54.894 54.840 -0.404 0.000 0.896 399 L CB -0.670 41.100 42.059 -0.482 0.000 1.065 399 L HN 0.563 nan 8.230 nan 0.000 0.447 400 T N -4.634 110.128 114.554 0.347 0.000 2.906 400 T HA 0.405 4.810 4.350 0.092 0.000 0.295 400 T C -0.255 174.678 174.700 0.390 0.000 1.061 400 T CA -0.923 61.395 62.100 0.363 0.000 1.000 400 T CB 2.052 71.023 68.868 0.171 0.000 1.103 400 T HN -0.057 nan 8.240 nan 0.000 0.486 401 E N 0.367 120.631 120.200 0.105 0.000 2.404 401 E HA 0.118 4.523 4.350 0.092 0.000 0.261 401 E C -1.232 175.402 176.600 0.056 0.000 1.074 401 E CA -0.294 56.009 56.400 -0.161 0.000 0.917 401 E CB 0.568 30.136 29.700 -0.222 0.000 0.965 401 E HN 0.640 nan 8.360 nan 0.000 0.433 402 Y N 3.517 123.799 120.300 -0.029 0.000 2.341 402 Y HA 0.207 4.812 4.550 0.092 0.000 0.340 402 Y C -2.048 173.833 175.900 -0.031 0.000 0.997 402 Y CA -2.577 55.528 58.100 0.009 0.000 1.149 402 Y CB 0.915 39.398 38.460 0.039 0.000 1.171 402 Y HN 0.262 nan 8.280 nan 0.000 0.494 403 P HA 0.008 nan 4.420 nan 0.000 0.275 403 P C 0.159 177.347 177.300 -0.186 0.000 1.276 403 P CA -0.004 62.959 63.100 -0.229 0.000 0.782 403 P CB 1.265 32.808 31.700 -0.262 0.000 0.851 404 L N 3.323 124.480 121.223 -0.110 0.000 2.349 404 L HA -0.189 4.206 4.340 0.092 0.000 0.220 404 L C 2.518 179.329 176.870 -0.099 0.000 1.130 404 L CA 1.957 56.724 54.840 -0.121 0.000 0.791 404 L CB -1.372 40.502 42.059 -0.308 0.000 0.918 404 L HN 0.398 nan 8.230 nan 0.000 0.444 405 S N -0.993 114.641 115.700 -0.110 0.000 2.442 405 S HA -0.214 4.311 4.470 0.092 0.000 0.236 405 S C 2.049 176.604 174.600 -0.075 0.000 1.007 405 S CA 0.760 58.908 58.200 -0.088 0.000 0.965 405 S CB -0.403 62.745 63.200 -0.086 0.000 0.773 405 S HN 0.496 nan 8.310 nan 0.000 0.504 406 R N 0.619 121.062 120.500 -0.094 0.000 2.359 406 R HA 0.286 4.682 4.340 0.092 0.000 0.231 406 R C -0.756 175.572 176.300 0.046 0.000 0.913 406 R CA 0.023 56.085 56.100 -0.065 0.000 1.075 406 R CB 0.352 30.536 30.300 -0.194 0.000 1.087 406 R HN 0.292 nan 8.270 nan 0.000 0.515 407 V N 2.390 122.335 119.914 0.052 0.000 2.259 407 V HA 0.047 4.222 4.120 0.092 0.000 0.267 407 V C -0.417 175.677 176.094 -0.000 0.000 1.051 407 V CA -0.876 61.452 62.300 0.046 0.000 0.830 407 V CB 0.803 32.635 31.823 0.015 0.000 1.080 407 V HN 0.116 nan 8.190 nan 0.000 0.467 408 D N 4.066 124.477 120.400 0.020 0.000 2.525 408 D HA 0.058 4.754 4.640 0.092 0.000 0.235 408 D C 0.954 177.282 176.300 0.048 0.000 1.137 408 D CA 0.432 54.459 54.000 0.045 0.000 0.868 408 D CB 0.395 41.258 40.800 0.106 0.000 1.180 408 D HN 0.504 nan 8.370 nan 0.000 0.465 409 L N 2.187 123.429 121.223 0.032 0.000 3.678 409 L HA -0.221 4.174 4.340 0.092 0.000 0.425 409 L C 0.949 177.811 176.870 -0.014 0.000 1.240 409 L CA 0.626 55.474 54.840 0.014 0.000 0.876 409 L CB -1.537 40.582 42.059 0.101 0.000 1.766 409 L HN 0.606 nan 8.230 nan 0.000 0.917 410 G N -1.463 107.307 108.800 -0.050 0.000 4.291 410 G HA2 0.309 4.324 3.960 0.092 0.000 0.304 410 G HA3 0.309 4.324 3.960 0.092 0.000 0.304 410 G C 0.627 175.454 174.900 -0.122 0.000 1.264 410 G CA -0.173 44.872 45.100 -0.092 0.000 1.039 410 G HN 0.233 nan 8.290 nan 0.000 0.578 411 D N 0.378 120.723 120.400 -0.091 0.000 2.149 411 D HA -0.131 4.564 4.640 0.092 0.000 0.201 411 D C 2.813 179.070 176.300 -0.073 0.000 0.972 411 D CA 1.406 55.354 54.000 -0.087 0.000 0.835 411 D CB -0.256 40.500 40.800 -0.073 0.000 0.966 411 D HN 0.480 nan 8.370 nan 0.000 0.476 412 c N 0.538 119.110 118.600 -0.046 0.000 2.401 412 c HA -0.060 4.565 4.570 0.092 0.000 0.286 412 c C 2.614 176.704 174.090 -0.000 0.000 1.332 412 c CA -0.301 56.031 56.329 0.006 0.000 1.795 412 c CB -1.563 40.977 42.510 0.049 0.000 1.922 412 c HN 0.198 nan 8.230 nan 0.000 0.520 413 I N 2.317 122.799 120.570 -0.146 0.000 2.036 413 I HA -0.053 4.172 4.170 0.092 0.000 0.231 413 I C 3.103 179.126 176.117 -0.157 0.000 1.044 413 I CA 2.035 63.106 61.300 -0.382 0.000 1.315 413 I CB -1.435 36.199 38.000 -0.610 0.000 1.051 413 I HN 0.429 nan 8.210 nan 0.000 0.391 414 G N 0.854 109.557 108.800 -0.161 0.000 2.469 414 G HA2 -0.260 3.755 3.960 0.092 0.000 0.220 414 G HA3 -0.260 3.755 3.960 0.092 0.000 0.220 414 G C 1.701 176.652 174.900 0.085 0.000 1.136 414 G CA 0.921 46.032 45.100 0.018 0.000 0.759 414 G HN 0.378 nan 8.290 nan 0.000 0.562 415 K N 0.303 120.729 120.400 0.043 0.000 2.032 415 K HA -0.079 4.296 4.320 0.092 0.000 0.209 415 K C 2.089 178.751 176.600 0.104 0.000 1.048 415 K CA 1.487 57.810 56.287 0.061 0.000 0.927 415 K CB -0.131 32.392 32.500 0.037 0.000 0.712 415 K HN 0.161 nan 8.250 nan 0.000 0.441 416 D N 0.360 120.854 120.400 0.155 0.000 2.234 416 D HA -0.030 4.665 4.640 0.092 0.000 0.205 416 D C 1.822 178.267 176.300 0.243 0.000 0.962 416 D CA 0.914 55.035 54.000 0.202 0.000 0.855 416 D CB -0.104 40.862 40.800 0.277 0.000 0.951 416 D HN 0.198 nan 8.370 nan 0.000 0.500 417 A N 1.401 124.417 122.820 0.327 0.000 1.845 417 A HA -0.183 4.192 4.320 0.092 0.000 0.215 417 A C 2.209 179.893 177.584 0.167 0.000 1.195 417 A CA 1.240 53.469 52.037 0.320 0.000 0.616 417 A CB -0.459 18.790 19.000 0.415 0.000 0.832 417 A HN 0.081 nan 8.150 nan 0.000 0.443 418 R N -0.679 119.904 120.500 0.139 0.000 2.073 418 R HA -0.164 4.231 4.340 0.092 0.000 0.234 418 R C 2.083 178.422 176.300 0.066 0.000 1.134 418 R CA 1.722 57.870 56.100 0.080 0.000 0.952 418 R CB -0.497 29.844 30.300 0.068 0.000 0.850 418 R HN 0.744 nan 8.270 nan 0.000 0.433 419 D N 0.169 120.615 120.400 0.077 0.000 2.092 419 D HA -0.163 4.532 4.640 0.092 0.000 0.193 419 D C 1.849 178.185 176.300 0.061 0.000 0.994 419 D CA 1.698 55.736 54.000 0.063 0.000 0.828 419 D CB 0.001 40.841 40.800 0.066 0.000 0.963 419 D HN 0.248 nan 8.370 nan 0.000 0.450 420 A N -0.101 122.761 122.820 0.070 0.000 1.902 420 A HA -0.139 4.236 4.320 0.092 0.000 0.217 420 A C 2.340 179.955 177.584 0.052 0.000 1.181 420 A CA 1.545 53.614 52.037 0.053 0.000 0.623 420 A CB -0.635 18.391 19.000 0.043 0.000 0.818 420 A HN 0.330 nan 8.150 nan 0.000 0.443 421 M N -0.514 119.120 119.600 0.056 0.000 2.099 421 M HA -0.147 4.388 4.480 0.092 0.000 0.262 421 M C 1.627 177.976 176.300 0.082 0.000 1.067 421 M CA 1.658 56.989 55.300 0.052 0.000 1.124 421 M CB -0.621 31.993 32.600 0.025 0.000 1.353 421 M HN 0.317 nan 8.290 nan 0.000 0.410 422 D N 0.148 120.585 120.400 0.063 0.000 2.133 422 D HA -0.205 4.490 4.640 0.092 0.000 0.195 422 D C 1.860 178.222 176.300 0.103 0.000 0.997 422 D CA 1.323 55.364 54.000 0.069 0.000 0.840 422 D CB -0.559 40.261 40.800 0.033 0.000 0.947 422 D HN 0.362 nan 8.370 nan 0.000 0.452 423 R N 0.592 121.140 120.500 0.079 0.000 2.170 423 R HA -0.125 4.270 4.340 0.092 0.000 0.242 423 R C 2.142 178.497 176.300 0.091 0.000 1.145 423 R CA 1.045 57.190 56.100 0.074 0.000 0.984 423 R CB -0.188 30.144 30.300 0.053 0.000 0.869 423 R HN 0.225 nan 8.270 nan 0.000 0.455 424 I N -0.573 120.063 120.570 0.110 0.000 2.385 424 I HA -0.124 4.101 4.170 0.092 0.000 0.244 424 I C 2.052 178.285 176.117 0.192 0.000 1.089 424 I CA 0.477 61.851 61.300 0.123 0.000 1.410 424 I CB -0.382 37.678 38.000 0.099 0.000 1.117 424 I HN 0.104 nan 8.210 nan 0.000 0.429 425 F N 2.354 122.347 119.950 0.072 0.000 2.027 425 F HA -0.304 4.278 4.527 0.092 0.000 0.297 425 F C 2.343 178.223 175.800 0.134 0.000 1.129 425 F CA 1.960 60.025 58.000 0.107 0.000 1.195 425 F CB -0.152 38.864 39.000 0.025 0.000 0.960 425 F HN 0.009 nan 8.300 nan 0.000 0.485 426 A N -0.281 122.809 122.820 0.449 0.000 2.247 426 A HA -0.032 4.343 4.320 0.092 0.000 0.205 426 A C 1.925 179.587 177.584 0.130 0.000 1.261 426 A CA 0.810 53.022 52.037 0.292 0.000 0.853 426 A CB -0.857 18.283 19.000 0.234 0.000 0.793 426 A HN 0.575 nan 8.150 nan 0.000 0.487 427 R N -2.120 118.435 120.500 0.092 0.000 2.509 427 R HA 0.242 4.638 4.340 0.092 0.000 0.297 427 R C 1.487 177.773 176.300 -0.023 0.000 0.951 427 R CA 0.513 56.636 56.100 0.038 0.000 1.103 427 R CB 0.307 30.637 30.300 0.050 0.000 1.283 427 R HN 0.388 nan 8.270 nan 0.000 0.534 428 R N -2.236 118.224 120.500 -0.067 0.000 3.359 428 R HA 0.102 4.498 4.340 0.092 0.000 0.098 428 R C -0.089 175.972 176.300 -0.398 0.000 0.779 428 R CA 0.348 56.305 56.100 -0.238 0.000 1.967 428 R CB -0.074 30.047 30.300 -0.299 0.000 1.617 428 R HN 0.091 nan 8.270 nan 0.000 0.469 429 Y N 2.364 122.424 120.300 -0.401 0.000 2.485 429 Y HA 0.210 4.815 4.550 0.092 0.000 0.260 429 Y C 1.192 176.744 175.900 -0.581 0.000 1.173 429 Y CA 0.207 57.976 58.100 -0.552 0.000 1.252 429 Y CB 0.082 38.010 38.460 -0.886 0.000 1.123 429 Y HN 0.276 nan 8.280 nan 0.000 0.524 430 N N 1.416 119.981 118.700 -0.226 0.000 2.061 430 N HA -0.226 4.569 4.740 0.092 0.000 0.193 430 N C 1.500 177.070 175.510 0.100 0.000 1.030 430 N CA 1.949 55.023 53.050 0.041 0.000 0.856 430 N CB -0.596 37.960 38.487 0.115 0.000 1.023 430 N HN 0.207 nan 8.380 nan 0.000 0.424 431 A N -1.261 121.583 122.820 0.039 0.000 2.430 431 A HA 0.273 4.648 4.320 0.092 0.000 0.243 431 A C 1.700 179.310 177.584 0.043 0.000 1.254 431 A CA 0.562 52.629 52.037 0.050 0.000 0.914 431 A CB -0.323 18.692 19.000 0.026 0.000 0.998 431 A HN 0.576 nan 8.150 nan 0.000 0.515 432 T N -3.942 110.650 114.554 0.065 0.000 3.026 432 T HA 0.320 4.726 4.350 0.092 0.000 0.245 432 T C 0.733 175.456 174.700 0.039 0.000 1.004 432 T CA 0.482 62.631 62.100 0.080 0.000 1.069 432 T CB -0.070 68.898 68.868 0.167 0.000 1.005 432 T HN 0.357 nan 8.240 nan 0.000 0.472 433 H N -0.521 118.599 119.070 0.082 0.000 2.927 433 H HA 0.832 5.443 4.556 0.092 0.000 0.316 433 H C -0.989 174.494 175.328 0.259 0.000 1.403 433 H CA -1.099 55.038 56.048 0.149 0.000 1.288 433 H CB 1.508 31.363 29.762 0.155 0.000 1.944 433 H HN 0.175 nan 8.280 nan 0.000 0.629 434 I N 0.395 121.225 120.570 0.433 0.000 2.722 434 I HA 0.234 4.459 4.170 0.092 0.000 0.295 434 I C -0.808 175.525 176.117 0.360 0.000 1.161 434 I CA -0.966 60.573 61.300 0.397 0.000 1.032 434 I CB 2.358 40.531 38.000 0.287 0.000 1.244 434 I HN 0.256 nan 8.210 nan 0.000 0.421 435 K N 4.349 124.897 120.400 0.247 0.000 2.245 435 K HA 0.190 4.565 4.320 0.092 0.000 0.281 435 K C -0.478 176.220 176.600 0.163 0.000 1.079 435 K CA -0.166 56.193 56.287 0.120 0.000 1.000 435 K CB 0.410 32.866 32.500 -0.074 0.000 1.038 435 K HN 0.296 nan 8.250 nan 0.000 0.430 436 V N 3.815 123.790 119.914 0.102 0.000 2.242 436 V HA 0.120 4.295 4.120 0.092 0.000 0.242 436 V C 0.984 177.041 176.094 -0.062 0.000 1.240 436 V CA 0.536 62.836 62.300 -0.000 0.000 1.211 436 V CB -1.040 30.723 31.823 -0.099 0.000 1.338 436 V HN 1.092 nan 8.190 nan 0.000 0.499 437 G N 4.418 113.230 108.800 0.020 0.000 2.627 437 G HA2 -0.146 3.869 3.960 0.092 0.000 0.214 437 G HA3 -0.146 3.869 3.960 0.092 0.000 0.214 437 G C -0.711 174.168 174.900 -0.036 0.000 1.331 437 G CA -0.551 44.510 45.100 -0.065 0.000 0.891 437 G HN 0.529 nan 8.290 nan 0.000 0.539 438 Q N -0.063 119.705 119.800 -0.053 0.000 2.359 438 Q HA 0.528 4.923 4.340 0.092 0.000 0.275 438 Q C -2.471 173.476 176.000 -0.089 0.000 1.082 438 Q CA -1.770 54.001 55.803 -0.053 0.000 0.849 438 Q CB 1.870 30.598 28.738 -0.017 0.000 1.377 438 Q HN 0.392 nan 8.270 nan 0.000 0.452 439 P HA -0.176 nan 4.420 nan 0.000 0.259 439 P C -1.052 176.018 177.300 -0.384 0.000 1.155 439 P CA 0.934 63.886 63.100 -0.247 0.000 0.759 439 P CB 0.149 31.730 31.700 -0.198 0.000 0.753 440 Q N 2.409 121.948 119.800 -0.434 0.000 2.297 440 Q HA 0.592 4.987 4.340 0.092 0.000 0.269 440 Q C -1.266 174.316 176.000 -0.697 0.000 1.051 440 Q CA -0.922 54.631 55.803 -0.417 0.000 0.869 440 Q CB 1.479 30.128 28.738 -0.148 0.000 1.346 440 Q HN 0.330 nan 8.270 nan 0.000 0.457 441 Y N -0.013 120.131 120.300 -0.259 0.000 2.346 441 Y HA 0.458 5.063 4.550 0.092 0.000 0.332 441 Y C -1.393 174.324 175.900 -0.305 0.000 0.985 441 Y CA -0.820 57.178 58.100 -0.171 0.000 1.112 441 Y CB 1.544 39.961 38.460 -0.072 0.000 1.170 441 Y HN 0.531 nan 8.280 nan 0.000 0.447 442 Y N 2.503 122.888 120.300 0.143 0.000 2.485 442 Y HA 0.547 5.152 4.550 0.092 0.000 0.345 442 Y C -0.734 175.224 175.900 0.095 0.000 0.998 442 Y CA -1.280 56.913 58.100 0.155 0.000 1.059 442 Y CB 1.676 40.210 38.460 0.124 0.000 1.234 442 Y HN 0.486 nan 8.280 nan 0.000 0.461 443 L N 3.069 124.473 121.223 0.301 0.000 2.265 443 L HA 0.724 5.119 4.340 0.092 0.000 0.288 443 L C -0.144 176.865 176.870 0.231 0.000 1.058 443 L CA -0.363 54.562 54.840 0.142 0.000 0.809 443 L CB 0.057 42.157 42.059 0.069 0.000 1.179 443 L HN 0.737 nan 8.230 nan 0.000 0.429 444 A N 4.320 127.285 122.820 0.241 0.000 2.309 444 A HA 0.511 4.886 4.320 0.092 0.000 0.298 444 A C -0.113 177.737 177.584 0.444 0.000 1.165 444 A CA -0.761 51.492 52.037 0.361 0.000 0.821 444 A CB 0.051 19.266 19.000 0.358 0.000 1.102 444 A HN 0.772 nan 8.150 nan 0.000 0.500 445 N N 0.880 119.825 118.700 0.408 0.000 2.357 445 N HA 0.296 5.091 4.740 0.092 0.000 0.257 445 N C 1.161 176.967 175.510 0.495 0.000 1.250 445 N CA 1.771 55.022 53.050 0.334 0.000 0.862 445 N CB 0.565 39.201 38.487 0.248 0.000 1.066 445 N HN 1.301 nan 8.380 nan 0.000 0.468 446 G N 0.318 109.275 108.800 0.261 0.000 2.179 446 G HA2 -0.072 3.944 3.960 0.092 0.000 0.220 446 G HA3 -0.072 3.944 3.960 0.092 0.000 0.220 446 G C 0.608 175.552 174.900 0.073 0.000 0.990 446 G CA 0.170 45.446 45.100 0.293 0.000 0.646 446 G HN 1.396 nan 8.290 nan 0.000 0.517 447 G N -1.145 107.712 108.800 0.096 0.000 2.165 447 G HA2 -0.023 3.992 3.960 0.092 0.000 0.226 447 G HA3 -0.023 3.992 3.960 0.092 0.000 0.226 447 G C 0.018 174.773 174.900 -0.242 0.000 1.035 447 G CA 0.229 45.255 45.100 -0.123 0.000 0.744 447 G HN 1.238 nan 8.290 nan 0.000 0.501 448 F N -0.676 119.329 119.950 0.091 0.000 2.420 448 F HA 0.691 5.274 4.527 0.093 0.000 0.342 448 F C 0.407 176.198 175.800 -0.015 0.000 1.113 448 F CA -1.477 56.559 58.000 0.060 0.000 1.059 448 F CB 1.700 40.754 39.000 0.089 0.000 1.128 448 F HN 0.060 nan 8.300 nan 0.000 0.475 449 L N 5.229 126.547 121.223 0.158 0.000 2.257 449 L HA 0.524 4.919 4.340 0.092 0.000 0.290 449 L C -0.674 176.321 176.870 0.208 0.000 1.044 449 L CA -0.268 54.628 54.840 0.093 0.000 0.810 449 L CB 0.235 42.277 42.059 -0.028 0.000 1.193 449 L HN 0.441 nan 8.230 nan 0.000 0.425 450 I N 5.550 126.170 120.570 0.084 0.000 2.312 450 I HA 0.459 4.684 4.170 0.092 0.000 0.290 450 I C 0.317 176.497 176.117 0.105 0.000 1.008 450 I CA -0.576 60.711 61.300 -0.020 0.000 1.226 450 I CB 1.434 39.188 38.000 -0.411 0.000 1.371 450 I HN 0.741 nan 8.210 nan 0.000 0.468 451 A N 6.957 129.903 122.820 0.210 0.000 2.320 451 A HA 0.512 4.887 4.320 0.092 0.000 0.287 451 A C -1.241 176.370 177.584 0.045 0.000 1.181 451 A CA -0.102 51.975 52.037 0.066 0.000 0.831 451 A CB 0.319 19.495 19.000 0.294 0.000 1.102 451 A HN 0.619 nan 8.150 nan 0.000 0.513 452 Y N 1.211 121.391 120.300 -0.200 0.000 2.442 452 Y HA 0.542 5.147 4.550 0.092 0.000 0.344 452 Y C -0.347 175.495 175.900 -0.096 0.000 0.976 452 Y CA -0.844 57.207 58.100 -0.082 0.000 1.040 452 Y CB 2.314 40.810 38.460 0.060 0.000 1.228 452 Y HN 0.643 nan 8.280 nan 0.000 0.451 453 Q N 7.665 127.116 119.800 -0.583 0.000 2.508 453 Q HA 0.491 4.887 4.340 0.092 0.000 0.247 453 Q C -2.847 172.760 176.000 -0.654 0.000 1.047 453 Q CA -2.525 52.999 55.803 -0.465 0.000 0.783 453 Q CB 1.243 29.815 28.738 -0.277 0.000 1.172 453 Q HN 0.306 nan 8.270 nan 0.000 0.515 454 P HA 0.022 nan 4.420 nan 0.000 0.265 454 P C -0.896 176.299 177.300 -0.175 0.000 1.193 454 P CA 0.465 63.373 63.100 -0.320 0.000 0.765 454 P CB 0.594 32.236 31.700 -0.097 0.000 0.823 455 L N 2.394 123.557 121.223 -0.100 0.000 2.277 455 L HA 0.723 5.119 4.340 0.092 0.000 0.254 455 L C -0.756 176.235 176.870 0.202 0.000 1.044 455 L CA -1.142 53.730 54.840 0.053 0.000 0.842 455 L CB 1.710 43.720 42.059 -0.083 0.000 1.422 455 L HN 0.148 nan 8.230 nan 0.000 0.422 456 L N 0.409 121.839 121.223 0.346 0.000 2.639 456 L HA 0.333 4.728 4.340 0.092 0.000 0.264 456 L C -0.372 176.538 176.870 0.066 0.000 0.948 456 L CA 0.135 55.122 54.840 0.245 0.000 0.912 456 L CB 1.949 44.109 42.059 0.168 0.000 1.294 456 L HN 0.571 nan 8.230 nan 0.000 0.412 457 S N 3.119 118.663 115.700 -0.260 0.000 2.552 457 S HA 0.062 4.587 4.470 0.092 0.000 0.289 457 S C 1.264 175.741 174.600 -0.205 0.000 1.304 457 S CA 0.015 57.833 58.200 -0.636 0.000 1.063 457 S CB 0.291 63.220 63.200 -0.453 0.000 0.848 457 S HN 0.749 nan 8.310 nan 0.000 0.499 458 N N 3.752 122.357 118.700 -0.159 0.000 2.192 458 N HA -0.117 4.678 4.740 0.092 0.000 0.188 458 N C 1.665 177.156 175.510 -0.031 0.000 1.013 458 N CA 1.791 54.816 53.050 -0.041 0.000 0.863 458 N CB -1.045 37.431 38.487 -0.018 0.000 0.990 458 N HN 0.676 nan 8.380 nan 0.000 0.430 459 T N 0.545 115.065 114.554 -0.056 0.000 2.737 459 T HA -0.095 4.310 4.350 0.092 0.000 0.269 459 T C 1.711 176.406 174.700 -0.008 0.000 1.040 459 T CA 1.640 63.723 62.100 -0.029 0.000 1.142 459 T CB -0.358 68.490 68.868 -0.033 0.000 0.861 459 T HN 0.388 nan 8.240 nan 0.000 0.456 460 L N 0.283 121.503 121.223 -0.005 0.000 2.984 460 L HA 0.881 5.276 4.340 0.092 0.000 0.246 460 L C 2.271 179.171 176.870 0.051 0.000 1.268 460 L CA 0.446 55.300 54.840 0.023 0.000 1.054 460 L CB -1.623 40.453 42.059 0.029 0.000 1.393 460 L HN 0.409 nan 8.230 nan 0.000 0.532 461 A N -0.183 122.666 122.820 0.048 0.000 1.997 461 A HA -0.102 4.273 4.320 0.092 0.000 0.221 461 A C 2.363 180.012 177.584 0.108 0.000 1.172 461 A CA 2.521 54.608 52.037 0.083 0.000 0.645 461 A CB -0.542 18.483 19.000 0.040 0.000 0.813 461 A HN 1.269 nan 8.150 nan 0.000 0.454 462 E N -1.091 119.153 120.200 0.072 0.000 2.070 462 E HA -0.039 4.366 4.350 0.092 0.000 0.197 462 E C 2.168 178.832 176.600 0.106 0.000 1.004 462 E CA 2.265 58.708 56.400 0.072 0.000 0.805 462 E CB -1.598 28.130 29.700 0.046 0.000 0.744 462 E HN 1.457 nan 8.360 nan 0.000 0.451 463 L N -0.361 120.923 121.223 0.101 0.000 2.675 463 L HA 0.334 4.729 4.340 0.092 0.000 0.238 463 L C 2.368 179.315 176.870 0.129 0.000 1.155 463 L CA 1.720 56.618 54.840 0.096 0.000 0.881 463 L CB -1.985 40.114 42.059 0.067 0.000 1.008 463 L HN 0.652 nan 8.230 nan 0.000 0.443 464 Y N 0.229 120.557 120.300 0.047 0.000 2.114 464 Y HA -0.257 4.349 4.550 0.092 0.000 0.282 464 Y C 2.384 178.335 175.900 0.084 0.000 1.165 464 Y CA 2.885 61.025 58.100 0.066 0.000 1.148 464 Y CB -0.129 38.358 38.460 0.045 0.000 0.972 464 Y HN 0.278 nan 8.280 nan 0.000 0.504 465 V N 1.308 121.406 119.914 0.305 0.000 2.220 465 V HA -0.364 3.811 4.120 0.092 0.000 0.250 465 V C 2.522 178.676 176.094 0.101 0.000 1.056 465 V CA 3.064 65.491 62.300 0.212 0.000 1.016 465 V CB -0.960 30.953 31.823 0.150 0.000 0.639 465 V HN 0.472 nan 8.190 nan 0.000 0.446 466 R N -0.932 119.612 120.500 0.072 0.000 2.092 466 R HA -0.137 4.259 4.340 0.092 0.000 0.231 466 R C 2.324 178.639 176.300 0.025 0.000 1.119 466 R CA 1.445 57.575 56.100 0.050 0.000 0.970 466 R CB -0.107 30.218 30.300 0.042 0.000 0.864 466 R HN 0.778 nan 8.270 nan 0.000 0.440 467 E N -0.380 119.817 120.200 -0.005 0.000 2.072 467 E HA -0.211 4.194 4.350 0.092 0.000 0.191 467 E C 1.804 178.353 176.600 -0.085 0.000 0.985 467 E CA 1.271 57.648 56.400 -0.039 0.000 0.801 467 E CB -0.515 29.156 29.700 -0.049 0.000 0.750 467 E HN 0.546 nan 8.360 nan 0.000 0.452 468 H N 0.789 119.689 119.070 -0.283 0.000 2.319 468 H HA -0.067 4.544 4.556 0.092 0.000 0.299 468 H C 2.231 177.496 175.328 -0.105 0.000 1.092 468 H CA 1.767 57.634 56.048 -0.301 0.000 1.302 468 H CB -0.161 29.323 29.762 -0.463 0.000 1.373 468 H HN 0.021 nan 8.280 nan 0.000 0.497 469 L N -0.079 121.201 121.223 0.094 0.000 1.994 469 L HA -0.182 4.213 4.340 0.092 0.000 0.208 469 L C 2.860 179.741 176.870 0.018 0.000 1.071 469 L CA 1.741 56.627 54.840 0.077 0.000 0.745 469 L CB -0.530 41.583 42.059 0.089 0.000 0.892 469 L HN 0.311 nan 8.230 nan 0.000 0.431 470 R N 0.266 120.776 120.500 0.017 0.000 2.103 470 R HA -0.191 4.204 4.340 0.092 0.000 0.242 470 R C 2.061 178.385 176.300 0.039 0.000 1.142 470 R CA 1.636 57.755 56.100 0.031 0.000 0.960 470 R CB -0.075 30.244 30.300 0.033 0.000 0.858 470 R HN 0.328 nan 8.270 nan 0.000 0.439 471 E N 0.064 120.261 120.200 -0.005 0.000 2.274 471 E HA -0.146 4.259 4.350 0.092 0.000 0.194 471 E C 2.127 178.716 176.600 -0.019 0.000 0.996 471 E CA 1.425 57.831 56.400 0.009 0.000 0.840 471 E CB -0.223 29.449 29.700 -0.047 0.000 0.772 471 E HN 0.675 nan 8.360 nan 0.000 0.491 472 Q N 0.964 120.717 119.800 -0.078 0.000 2.436 472 Q HA -0.004 4.391 4.340 0.092 0.000 0.209 472 Q C 1.884 177.888 176.000 0.006 0.000 0.965 472 Q CA 1.245 57.008 55.803 -0.067 0.000 0.910 472 Q CB -0.690 28.001 28.738 -0.078 0.000 0.980 472 Q HN 0.319 nan 8.270 nan 0.000 0.491 473 S N -1.759 113.962 115.700 0.036 0.000 2.743 473 S HA 0.313 4.838 4.470 0.092 0.000 0.230 473 S C 1.842 176.495 174.600 0.089 0.000 0.950 473 S CA 0.429 58.662 58.200 0.056 0.000 0.976 473 S CB -0.061 63.173 63.200 0.057 0.000 0.779 473 S HN 0.808 nan 8.310 nan 0.000 0.487 474 R N 2.242 122.800 120.500 0.098 0.000 2.075 474 R HA 0.129 4.525 4.340 0.092 0.000 0.230 474 R C 1.359 177.717 176.300 0.097 0.000 1.140 474 R CA 1.503 57.690 56.100 0.146 0.000 0.928 474 R CB -1.161 29.203 30.300 0.108 0.000 0.834 474 R HN 0.647 nan 8.270 nan 0.000 0.429 493 E N 4.825 125.045 120.200 0.034 0.000 2.446 493 E HA 0.798 5.203 4.350 0.092 0.000 0.269 493 E C -1.326 175.285 176.600 0.018 0.000 0.977 493 E CA -1.355 55.066 56.400 0.034 0.000 0.854 493 E CB 2.522 32.253 29.700 0.052 0.000 1.545 493 E HN 0.446 nan 8.360 nan 0.000 0.448 494 R N 0.165 120.653 120.500 -0.020 0.000 2.807 494 R HA 0.527 4.922 4.340 0.092 0.000 0.276 494 R C -0.627 175.627 176.300 -0.077 0.000 0.979 494 R CA -0.910 55.141 56.100 -0.082 0.000 0.928 494 R CB 1.834 32.023 30.300 -0.185 0.000 1.191 494 R HN 0.502 nan 8.270 nan 0.000 0.471 495 I N 2.622 123.122 120.570 -0.118 0.000 2.365 495 I HA 0.195 4.420 4.170 0.092 0.000 0.291 495 I C 0.061 176.091 176.117 -0.145 0.000 1.004 495 I CA -0.493 60.722 61.300 -0.142 0.000 1.311 495 I CB 0.930 38.810 38.000 -0.200 0.000 1.401 495 I HN 0.089 nan 8.210 nan 0.000 0.491 496 K N 5.103 125.424 120.400 -0.132 0.000 2.293 496 K HA 0.417 4.792 4.320 0.092 0.000 0.267 496 K C -0.595 175.896 176.600 -0.182 0.000 1.010 496 K CA -0.448 55.756 56.287 -0.139 0.000 0.875 496 K CB 1.621 34.060 32.500 -0.102 0.000 1.106 496 K HN 0.475 nan 8.250 nan 0.000 0.450 497 T N 1.476 115.890 114.554 -0.233 0.000 2.795 497 T HA 0.146 4.551 4.350 0.092 0.000 0.282 497 T C 0.388 174.922 174.700 -0.276 0.000 0.980 497 T CA -0.319 61.563 62.100 -0.364 0.000 1.012 497 T CB 1.510 70.081 68.868 -0.494 0.000 0.936 497 T HN 0.443 nan 8.240 nan 0.000 0.457 498 T N 1.441 115.850 114.554 -0.243 0.000 2.856 498 T HA 0.085 4.490 4.350 0.092 0.000 0.306 498 T C 1.464 176.125 174.700 -0.065 0.000 1.062 498 T CA -0.349 61.699 62.100 -0.086 0.000 1.083 498 T CB 0.287 69.180 68.868 0.042 0.000 0.984 498 T HN 0.550 nan 8.240 nan 0.000 0.542 499 S N 1.625 117.318 115.700 -0.013 0.000 2.425 499 S HA 0.107 4.632 4.470 0.092 0.000 0.225 499 S C 0.914 175.548 174.600 0.057 0.000 1.024 499 S CA 0.039 58.233 58.200 -0.011 0.000 0.951 499 S CB 0.119 63.315 63.200 -0.006 0.000 0.796 499 S HN 0.648 nan 8.310 nan 0.000 0.498 500 S N 0.537 116.323 115.700 0.143 0.000 2.449 500 S HA 0.475 5.001 4.470 0.092 0.000 0.310 500 S C 0.231 175.041 174.600 0.350 0.000 1.096 500 S CA -0.691 57.628 58.200 0.199 0.000 1.095 500 S CB 0.945 64.247 63.200 0.170 0.000 1.007 500 S HN 0.162 nan 8.310 nan 0.000 0.474 501 I N 5.537 126.241 120.570 0.223 0.000 3.684 501 I HA 0.227 4.452 4.170 0.092 0.000 0.304 501 I C 2.047 178.058 176.117 -0.177 0.000 1.278 501 I CA 1.343 62.676 61.300 0.056 0.000 1.272 501 I CB -0.812 37.276 38.000 0.147 0.000 1.029 501 I HN 0.904 nan 8.210 nan 0.000 0.458 502 E N 1.384 121.600 120.200 0.027 0.000 2.095 502 E HA -0.392 4.013 4.350 0.092 0.000 0.212 502 E C 1.915 178.481 176.600 -0.057 0.000 1.044 502 E CA 2.558 58.962 56.400 0.007 0.000 0.857 502 E CB -2.034 27.718 29.700 0.087 0.000 0.764 502 E HN 0.726 nan 8.360 nan 0.000 0.462 503 F N 0.287 120.239 119.950 0.004 0.000 2.184 503 F HA 0.076 4.658 4.527 0.092 0.000 0.301 503 F C 2.541 178.313 175.800 -0.046 0.000 1.076 503 F CA 1.624 59.617 58.000 -0.012 0.000 1.295 503 F CB -0.675 38.336 39.000 0.018 0.000 1.026 503 F HN 0.281 nan 8.300 nan 0.000 0.494 504 A N 0.814 123.044 122.820 -0.984 0.000 2.021 504 A HA 0.068 4.443 4.320 0.092 0.000 0.216 504 A C 2.323 179.645 177.584 -0.437 0.000 1.163 504 A CA 0.614 52.156 52.037 -0.826 0.000 0.676 504 A CB -0.491 17.712 19.000 -1.329 0.000 0.818 504 A HN 0.461 nan 8.150 nan 0.000 0.453 505 R N -0.496 119.807 120.500 -0.329 0.000 2.119 505 R HA 0.142 4.538 4.340 0.092 0.000 0.222 505 R C 1.861 178.151 176.300 -0.017 0.000 1.088 505 R CA 0.815 56.814 56.100 -0.169 0.000 0.984 505 R CB -0.419 29.783 30.300 -0.164 0.000 0.884 505 R HN 0.430 nan 8.270 nan 0.000 0.447 506 L N 0.849 122.052 121.223 -0.032 0.000 1.994 506 L HA -0.234 4.162 4.340 0.092 0.000 0.208 506 L C 2.680 179.596 176.870 0.077 0.000 1.071 506 L CA 1.278 56.132 54.840 0.023 0.000 0.745 506 L CB -0.515 41.543 42.059 -0.001 0.000 0.892 506 L HN 0.161 nan 8.230 nan 0.000 0.431 507 Q N -0.437 119.390 119.800 0.045 0.000 2.047 507 Q HA -0.298 4.097 4.340 0.092 0.000 0.211 507 Q C 2.093 178.164 176.000 0.119 0.000 1.005 507 Q CA 2.259 58.111 55.803 0.083 0.000 0.866 507 Q CB -0.852 27.910 28.738 0.039 0.000 0.938 507 Q HN 0.430 nan 8.270 nan 0.000 0.414 508 F N 1.288 121.207 119.950 -0.051 0.000 2.043 508 F HA -0.298 4.285 4.527 0.092 0.000 0.297 508 F C 2.314 178.121 175.800 0.012 0.000 1.121 508 F CA 2.339 60.314 58.000 -0.042 0.000 1.199 508 F CB -0.619 38.313 39.000 -0.114 0.000 0.968 508 F HN 0.090 nan 8.300 nan 0.000 0.478 509 T N -0.231 114.450 114.554 0.212 0.000 2.622 509 T HA -0.308 4.097 4.350 0.092 0.000 0.266 509 T C 1.592 176.322 174.700 0.049 0.000 1.047 509 T CA 1.865 64.033 62.100 0.114 0.000 1.159 509 T CB -1.153 67.801 68.868 0.144 0.000 0.863 509 T HN 0.546 nan 8.240 nan 0.000 0.422 510 Y N 2.843 123.125 120.300 -0.029 0.000 2.053 510 Y HA -0.303 4.302 4.550 0.092 0.000 0.277 510 Y C 2.328 178.183 175.900 -0.074 0.000 1.159 510 Y CA 1.789 59.864 58.100 -0.042 0.000 1.125 510 Y CB -0.480 37.958 38.460 -0.036 0.000 0.969 510 Y HN 0.107 nan 8.280 nan 0.000 0.492 511 N N -0.683 117.984 118.700 -0.055 0.000 2.192 511 N HA -0.219 4.577 4.740 0.092 0.000 0.188 511 N C 1.592 176.941 175.510 -0.269 0.000 1.013 511 N CA 1.754 54.687 53.050 -0.194 0.000 0.863 511 N CB -0.634 37.780 38.487 -0.121 0.000 0.990 511 N HN 0.576 nan 8.380 nan 0.000 0.430 512 H N 0.396 119.232 119.070 -0.390 0.000 2.268 512 H HA 0.176 4.787 4.556 0.092 0.000 0.304 512 H C 2.085 177.270 175.328 -0.239 0.000 1.064 512 H CA 1.400 57.218 56.048 -0.384 0.000 1.316 512 H CB -0.235 29.229 29.762 -0.498 0.000 1.386 512 H HN 0.037 nan 8.280 nan 0.000 0.496 513 I N 0.391 120.905 120.570 -0.094 0.000 2.069 513 I HA -0.377 3.848 4.170 0.092 0.000 0.237 513 I C 2.687 178.706 176.117 -0.163 0.000 1.053 513 I CA 1.882 63.123 61.300 -0.098 0.000 1.311 513 I CB -0.603 37.357 38.000 -0.067 0.000 1.030 513 I HN 0.497 nan 8.210 nan 0.000 0.398 514 Q N 1.291 120.883 119.800 -0.345 0.000 1.978 514 Q HA -0.319 4.076 4.340 0.092 0.000 0.211 514 Q C 2.473 178.313 176.000 -0.266 0.000 1.013 514 Q CA 2.098 57.656 55.803 -0.408 0.000 0.869 514 Q CB -0.415 27.848 28.738 -0.791 0.000 0.953 514 Q HN 0.314 nan 8.270 nan 0.000 0.415 515 R N -0.620 119.715 120.500 -0.275 0.000 2.133 515 R HA -0.239 4.157 4.340 0.092 0.000 0.247 515 R C 2.198 178.393 176.300 -0.176 0.000 1.151 515 R CA 2.147 58.123 56.100 -0.208 0.000 0.971 515 R CB -0.630 29.540 30.300 -0.216 0.000 0.866 515 R HN 0.528 nan 8.270 nan 0.000 0.447 516 H N 0.436 119.339 119.070 -0.278 0.000 2.253 516 H HA -0.135 4.476 4.556 0.092 0.000 0.299 516 H C 2.142 177.374 175.328 -0.160 0.000 1.064 516 H CA 3.108 59.014 56.048 -0.236 0.000 1.264 516 H CB -0.586 29.024 29.762 -0.253 0.000 1.371 516 H HN 0.024 nan 8.280 nan 0.000 0.493 517 V N -0.061 119.723 119.914 -0.216 0.000 2.282 517 V HA -0.321 3.855 4.120 0.092 0.000 0.249 517 V C 2.096 178.061 176.094 -0.215 0.000 1.057 517 V CA 2.302 64.463 62.300 -0.232 0.000 1.032 517 V CB -0.948 30.822 31.823 -0.089 0.000 0.645 517 V HN 0.465 nan 8.190 nan 0.000 0.447 518 N N 0.878 119.477 118.700 -0.169 0.000 2.133 518 N HA -0.257 4.538 4.740 0.092 0.000 0.193 518 N C 1.659 177.091 175.510 -0.130 0.000 1.012 518 N CA 2.278 55.249 53.050 -0.130 0.000 0.871 518 N CB -0.679 37.739 38.487 -0.114 0.000 1.011 518 N HN 0.823 nan 8.380 nan 0.000 0.435 519 D N -0.095 120.201 120.400 -0.173 0.000 2.110 519 D HA -0.026 4.669 4.640 0.092 0.000 0.202 519 D C 1.948 178.150 176.300 -0.163 0.000 0.975 519 D CA 0.775 54.682 54.000 -0.154 0.000 0.839 519 D CB -0.003 40.696 40.800 -0.168 0.000 0.996 519 D HN -0.005 nan 8.370 nan 0.000 0.464 520 M N 0.253 119.705 119.600 -0.246 0.000 2.080 520 M HA -0.097 4.438 4.480 0.092 0.000 0.260 520 M C 2.429 178.656 176.300 -0.123 0.000 1.068 520 M CA 0.991 56.172 55.300 -0.199 0.000 1.109 520 M CB -1.185 31.253 32.600 -0.270 0.000 1.342 520 M HN 0.144 nan 8.290 nan 0.000 0.405 521 L N -0.643 120.506 121.223 -0.123 0.000 2.456 521 L HA -0.078 4.317 4.340 0.092 0.000 0.224 521 L C 2.499 179.329 176.870 -0.067 0.000 1.148 521 L CA 0.709 55.496 54.840 -0.088 0.000 0.825 521 L CB -1.182 40.824 42.059 -0.089 0.000 0.937 521 L HN 0.392 nan 8.230 nan 0.000 0.450 522 G N 0.053 108.812 108.800 -0.068 0.000 2.395 522 G HA2 -0.173 3.843 3.960 0.092 0.000 0.214 522 G HA3 -0.173 3.843 3.960 0.092 0.000 0.214 522 G C 1.735 176.619 174.900 -0.026 0.000 1.177 522 G CA 0.054 45.128 45.100 -0.044 0.000 0.794 522 G HN 0.254 nan 8.290 nan 0.000 0.532 523 R N -0.159 120.319 120.500 -0.036 0.000 2.120 523 R HA -0.007 4.388 4.340 0.092 0.000 0.234 523 R C 2.509 178.813 176.300 0.008 0.000 1.123 523 R CA 0.991 57.081 56.100 -0.018 0.000 0.975 523 R CB -0.319 29.962 30.300 -0.032 0.000 0.866 523 R HN 0.318 nan 8.270 nan 0.000 0.446 524 V N 0.539 120.454 119.914 0.002 0.000 2.446 524 V HA -0.094 4.081 4.120 0.092 0.000 0.244 524 V C 2.360 178.499 176.094 0.075 0.000 1.039 524 V CA 1.649 63.970 62.300 0.036 0.000 1.045 524 V CB -0.433 31.387 31.823 -0.005 0.000 0.681 524 V HN 0.341 nan 8.190 nan 0.000 0.459 525 A N -0.124 122.711 122.820 0.026 0.000 1.978 525 A HA -0.157 4.219 4.320 0.092 0.000 0.220 525 A C 2.159 179.805 177.584 0.103 0.000 1.170 525 A CA 1.790 53.853 52.037 0.044 0.000 0.636 525 A CB -0.454 18.545 19.000 -0.001 0.000 0.810 525 A HN 0.525 nan 8.150 nan 0.000 0.448 526 I N -0.947 119.667 120.570 0.073 0.000 2.296 526 I HA -0.133 4.092 4.170 0.092 0.000 0.242 526 I C 2.987 179.152 176.117 0.081 0.000 1.087 526 I CA 0.830 62.169 61.300 0.066 0.000 1.393 526 I CB -0.449 37.570 38.000 0.032 0.000 1.093 526 I HN 0.320 nan 8.210 nan 0.000 0.421 527 A N 1.111 123.979 122.820 0.080 0.000 1.883 527 A HA -0.276 4.100 4.320 0.092 0.000 0.217 527 A C 2.280 179.927 177.584 0.104 0.000 1.186 527 A CA 1.570 53.648 52.037 0.067 0.000 0.624 527 A CB -1.287 17.749 19.000 0.060 0.000 0.822 527 A HN 0.741 nan 8.150 nan 0.000 0.444 528 W N 0.128 121.420 121.300 -0.014 0.000 2.342 528 W HA -0.238 4.477 4.660 0.092 0.000 0.297 528 W C 2.347 178.866 176.519 -0.000 0.000 1.213 528 W CA 1.746 59.087 57.345 -0.006 0.000 1.251 528 W CB -0.612 28.841 29.460 -0.011 0.000 1.136 528 W HN 0.470 nan 8.180 nan 0.000 0.526 529 c N 1.568 120.279 118.600 0.186 0.000 2.466 529 c HA -0.102 4.523 4.570 0.092 0.000 0.278 529 c C 2.448 176.536 174.090 -0.004 0.000 1.288 529 c CA 1.688 58.071 56.329 0.089 0.000 1.722 529 c CB -1.017 41.561 42.510 0.114 0.000 2.017 529 c HN 0.368 nan 8.230 nan 0.000 0.488 530 E N 0.213 120.415 120.200 0.003 0.000 2.160 530 E HA -0.231 4.174 4.350 0.092 0.000 0.195 530 E C 1.919 178.504 176.600 -0.025 0.000 0.991 530 E CA 1.257 57.651 56.400 -0.009 0.000 0.810 530 E CB -0.303 29.386 29.700 -0.019 0.000 0.742 530 E HN 0.597 nan 8.360 nan 0.000 0.466 531 L N 1.169 122.338 121.223 -0.091 0.000 2.056 531 L HA -0.193 4.202 4.340 0.092 0.000 0.207 531 L C 2.108 178.918 176.870 -0.100 0.000 1.078 531 L CA 1.620 56.395 54.840 -0.110 0.000 0.749 531 L CB -0.188 41.726 42.059 -0.242 0.000 0.901 531 L HN -0.006 nan 8.230 nan 0.000 0.433 532 Q N -0.260 119.424 119.800 -0.194 0.000 2.124 532 Q HA -0.143 4.252 4.340 0.092 0.000 0.202 532 Q C 1.993 177.962 176.000 -0.052 0.000 0.977 532 Q CA 1.388 57.096 55.803 -0.159 0.000 0.850 532 Q CB -0.730 27.901 28.738 -0.178 0.000 0.901 532 Q HN 0.597 nan 8.270 nan 0.000 0.429 533 N N 0.185 118.879 118.700 -0.011 0.000 2.080 533 N HA -0.152 4.643 4.740 0.092 0.000 0.189 533 N C 1.754 177.303 175.510 0.066 0.000 1.036 533 N CA 1.326 54.392 53.050 0.027 0.000 0.846 533 N CB -0.795 37.716 38.487 0.039 0.000 1.015 533 N HN 0.381 nan 8.380 nan 0.000 0.423 534 H N 1.752 120.810 119.070 -0.019 0.000 2.265 534 H HA -0.082 4.530 4.556 0.092 0.000 0.293 534 H C 1.494 176.833 175.328 0.018 0.000 1.089 534 H CA 1.976 58.020 56.048 -0.007 0.000 1.244 534 H CB -0.028 29.719 29.762 -0.025 0.000 1.355 534 H HN 0.150 nan 8.280 nan 0.000 0.485 535 E N 0.083 120.326 120.200 0.072 0.000 2.209 535 E HA -0.155 4.251 4.350 0.092 0.000 0.196 535 E C 2.389 179.084 176.600 0.158 0.000 0.993 535 E CA 0.736 57.179 56.400 0.072 0.000 0.819 535 E CB -0.508 29.285 29.700 0.156 0.000 0.745 535 E HN 0.406 nan 8.360 nan 0.000 0.477 536 L N 1.323 122.631 121.223 0.140 0.000 2.081 536 L HA -0.165 4.230 4.340 0.092 0.000 0.212 536 L C 2.073 179.034 176.870 0.152 0.000 1.080 536 L CA 1.824 56.774 54.840 0.184 0.000 0.754 536 L CB -0.949 41.162 42.059 0.087 0.000 0.893 536 L HN 0.008 nan 8.230 nan 0.000 0.433 537 T N -0.284 114.283 114.554 0.022 0.000 2.803 537 T HA -0.173 4.232 4.350 0.092 0.000 0.269 537 T C 1.847 176.537 174.700 -0.018 0.000 1.052 537 T CA 1.803 63.890 62.100 -0.021 0.000 1.136 537 T CB -0.239 68.557 68.868 -0.121 0.000 0.864 537 T HN 0.358 nan 8.240 nan 0.000 0.467 538 L N -1.682 119.514 121.223 -0.045 0.000 2.209 538 L HA 0.093 4.488 4.340 0.092 0.000 0.207 538 L C 2.170 178.970 176.870 -0.117 0.000 1.094 538 L CA 0.824 55.591 54.840 -0.122 0.000 0.790 538 L CB -0.433 41.495 42.059 -0.219 0.000 0.932 538 L HN 0.323 nan 8.230 nan 0.000 0.447 539 W N 0.406 121.713 121.300 0.013 0.000 2.595 539 W HA -0.045 4.671 4.660 0.092 0.000 0.257 539 W C 2.229 178.842 176.519 0.157 0.000 1.267 539 W CA 0.189 57.583 57.345 0.082 0.000 1.300 539 W CB -0.197 29.291 29.460 0.046 0.000 1.120 539 W HN 0.137 nan 8.180 nan 0.000 0.618 540 N N -0.013 118.856 118.700 0.281 0.000 2.409 540 N HA -0.091 4.705 4.740 0.092 0.000 0.179 540 N C 1.266 176.830 175.510 0.090 0.000 1.032 540 N CA 1.015 54.174 53.050 0.181 0.000 0.898 540 N CB -0.055 38.506 38.487 0.123 0.000 0.971 540 N HN 0.184 nan 8.380 nan 0.000 0.441 541 E N -0.501 119.730 120.200 0.052 0.000 2.473 541 E HA 0.244 4.649 4.350 0.092 0.000 0.204 541 E C 1.275 177.873 176.600 -0.004 0.000 0.994 541 E CA -0.037 56.369 56.400 0.009 0.000 0.945 541 E CB 0.416 30.105 29.700 -0.019 0.000 0.990 541 E HN 0.204 nan 8.360 nan 0.000 0.493 542 A N 1.946 124.767 122.820 0.001 0.000 1.935 542 A HA -0.132 4.243 4.320 0.092 0.000 0.214 542 A C 2.185 179.799 177.584 0.051 0.000 1.178 542 A CA 1.075 53.092 52.037 -0.033 0.000 0.640 542 A CB -0.370 18.524 19.000 -0.178 0.000 0.825 542 A HN 0.201 nan 8.150 nan 0.000 0.447 543 R N 0.319 120.897 120.500 0.130 0.000 2.152 543 R HA -0.101 4.294 4.340 0.092 0.000 0.232 543 R C 1.736 178.065 176.300 0.049 0.000 1.117 543 R CA 1.654 57.827 56.100 0.121 0.000 0.981 543 R CB -0.453 29.906 30.300 0.098 0.000 0.870 543 R HN 0.404 nan 8.270 nan 0.000 0.451 544 K N 1.145 121.563 120.400 0.029 0.000 2.001 544 K HA -0.113 4.262 4.320 0.092 0.000 0.214 544 K C 2.134 178.742 176.600 0.014 0.000 1.050 544 K CA 2.052 58.346 56.287 0.012 0.000 0.934 544 K CB -0.320 32.183 32.500 0.004 0.000 0.718 544 K HN 0.216 nan 8.250 nan 0.000 0.443 545 L N 0.119 121.349 121.223 0.012 0.000 2.201 545 L HA -0.092 4.303 4.340 0.092 0.000 0.212 545 L C 0.883 177.764 176.870 0.020 0.000 1.105 545 L CA 0.513 55.359 54.840 0.009 0.000 0.775 545 L CB -0.265 41.792 42.059 -0.004 0.000 0.913 545 L HN 0.235 nan 8.230 nan 0.000 0.440 546 N N -1.339 117.380 118.700 0.031 0.000 2.946 546 N HA 0.140 4.935 4.740 0.092 0.000 0.213 546 N C -2.256 173.289 175.510 0.058 0.000 1.440 546 N CA -1.034 52.040 53.050 0.041 0.000 0.745 546 N CB 0.916 39.427 38.487 0.040 0.000 1.471 546 N HN -0.269 nan 8.380 nan 0.000 0.569 547 P HA -0.076 nan 4.420 nan 0.000 0.217 547 P C 0.880 178.214 177.300 0.056 0.000 1.148 547 P CA 1.135 64.264 63.100 0.049 0.000 0.828 547 P CB 0.479 32.192 31.700 0.023 0.000 0.783 548 N N -0.026 118.700 118.700 0.043 0.000 2.013 548 N HA -0.159 4.636 4.740 0.092 0.000 0.195 548 N C 1.841 177.375 175.510 0.040 0.000 1.051 548 N CA 1.861 54.930 53.050 0.032 0.000 0.851 548 N CB -1.488 37.012 38.487 0.021 0.000 1.044 548 N HN 0.021 nan 8.380 nan 0.000 0.422 549 A N 0.576 123.427 122.820 0.052 0.000 1.917 549 A HA -0.151 4.224 4.320 0.092 0.000 0.219 549 A C 2.190 179.848 177.584 0.123 0.000 1.182 549 A CA 1.454 53.531 52.037 0.067 0.000 0.633 549 A CB -0.729 18.313 19.000 0.071 0.000 0.819 549 A HN 0.195 nan 8.150 nan 0.000 0.448 550 I N -0.181 120.494 120.570 0.174 0.000 2.286 550 I HA -0.123 4.103 4.170 0.092 0.000 0.245 550 I C 2.875 179.113 176.117 0.202 0.000 1.104 550 I CA 1.128 62.597 61.300 0.281 0.000 1.397 550 I CB -0.732 37.498 38.000 0.383 0.000 1.072 550 I HN 0.295 nan 8.210 nan 0.000 0.417 551 A N -0.168 122.735 122.820 0.138 0.000 1.883 551 A HA -0.221 4.154 4.320 0.092 0.000 0.217 551 A C 2.501 180.116 177.584 0.053 0.000 1.186 551 A CA 2.391 54.484 52.037 0.093 0.000 0.624 551 A CB -1.048 17.983 19.000 0.052 0.000 0.822 551 A HN 0.424 nan 8.150 nan 0.000 0.444 552 S N -0.391 115.324 115.700 0.026 0.000 2.351 552 S HA -0.159 4.366 4.470 0.092 0.000 0.220 552 S C 1.898 176.498 174.600 -0.001 0.000 1.035 552 S CA 1.534 59.724 58.200 -0.016 0.000 1.031 552 S CB -0.762 62.405 63.200 -0.055 0.000 0.928 552 S HN 0.325 nan 8.310 nan 0.000 0.433 553 V N 1.165 121.099 119.914 0.032 0.000 2.332 553 V HA -0.187 3.988 4.120 0.092 0.000 0.248 553 V C 2.694 178.761 176.094 -0.045 0.000 1.055 553 V CA 2.263 64.576 62.300 0.022 0.000 1.038 553 V CB -0.936 30.950 31.823 0.105 0.000 0.651 553 V HN 0.573 nan 8.190 nan 0.000 0.450 554 T N -0.954 113.577 114.554 -0.037 0.000 2.851 554 T HA -0.076 4.329 4.350 0.092 0.000 0.262 554 T C 1.632 176.305 174.700 -0.046 0.000 1.043 554 T CA 1.460 63.496 62.100 -0.107 0.000 1.140 554 T CB 0.017 68.872 68.868 -0.021 0.000 0.872 554 T HN 0.263 nan 8.240 nan 0.000 0.446 555 V N 0.633 120.551 119.914 0.007 0.000 3.306 555 V HA 0.264 4.439 4.120 0.092 0.000 0.264 555 V C 1.665 177.753 176.094 -0.010 0.000 1.149 555 V CA 0.661 62.965 62.300 0.007 0.000 1.143 555 V CB -0.918 30.918 31.823 0.022 0.000 0.767 555 V HN 0.711 nan 8.190 nan 0.000 0.476 556 G N 2.237 111.025 108.800 -0.021 0.000 2.324 556 G HA2 -0.255 3.760 3.960 0.092 0.000 0.292 556 G HA3 -0.255 3.760 3.960 0.092 0.000 0.292 556 G C 0.091 174.982 174.900 -0.015 0.000 1.079 556 G CA 0.489 45.575 45.100 -0.022 0.000 1.026 556 G HN 0.978 nan 8.290 nan 0.000 0.506 557 R N -2.322 118.163 120.500 -0.024 0.000 3.466 557 R HA 0.378 4.774 4.340 0.092 0.000 0.262 557 R C -0.540 175.713 176.300 -0.078 0.000 0.997 557 R CA -1.299 54.783 56.100 -0.031 0.000 0.978 557 R CB 0.443 30.743 30.300 -0.001 0.000 1.256 557 R HN 0.065 nan 8.270 nan 0.000 0.536 558 R N 1.499 121.898 120.500 -0.168 0.000 2.480 558 R HA 0.300 4.696 4.340 0.092 0.000 0.303 558 R C -0.314 175.885 176.300 -0.169 0.000 0.985 558 R CA -0.033 55.865 56.100 -0.337 0.000 1.051 558 R CB 0.772 30.465 30.300 -1.012 0.000 0.935 558 R HN 0.503 nan 8.270 nan 0.000 0.410 559 V N 1.370 121.214 119.914 -0.115 0.000 3.000 559 V HA 0.361 4.536 4.120 0.092 0.000 0.300 559 V C -0.464 175.619 176.094 -0.019 0.000 1.251 559 V CA -0.671 61.608 62.300 -0.036 0.000 0.972 559 V CB 2.515 34.333 31.823 -0.008 0.000 1.065 559 V HN 0.930 nan 8.190 nan 0.000 0.431 560 S N 5.108 120.812 115.700 0.007 0.000 2.601 560 S HA 0.948 5.473 4.470 0.092 0.000 0.271 560 S C -0.068 174.542 174.600 0.018 0.000 1.305 560 S CA 0.085 58.294 58.200 0.017 0.000 1.022 560 S CB 1.663 64.881 63.200 0.030 0.000 0.940 560 S HN 2.319 nan 8.310 nan 0.000 0.525 561 A N 1.815 124.647 122.820 0.019 0.000 2.594 561 A HA 0.848 5.223 4.320 0.092 0.000 0.295 561 A C -0.506 177.084 177.584 0.011 0.000 1.071 561 A CA -1.130 50.915 52.037 0.014 0.000 0.685 561 A CB 1.429 20.439 19.000 0.017 0.000 1.285 561 A HN 0.899 nan 8.150 nan 0.000 0.405 562 R N 0.159 120.659 120.500 0.001 0.000 2.906 562 R HA 0.674 5.070 4.340 0.092 0.000 0.258 562 R C -1.344 174.944 176.300 -0.018 0.000 1.156 562 R CA -1.062 55.036 56.100 -0.003 0.000 0.996 562 R CB 1.161 31.462 30.300 0.001 0.000 1.259 562 R HN 0.575 nan 8.270 nan 0.000 0.462 563 M N 2.434 122.022 119.600 -0.020 0.000 2.043 563 M HA 0.299 4.834 4.480 0.092 0.000 0.322 563 M C -0.551 175.734 176.300 -0.026 0.000 0.962 563 M CA -0.220 55.060 55.300 -0.033 0.000 0.927 563 M CB 1.097 33.676 32.600 -0.034 0.000 1.466 563 M HN 0.429 nan 8.290 nan 0.000 0.412 564 L N 3.622 124.828 121.223 -0.029 0.000 2.511 564 L HA 0.268 4.663 4.340 0.092 0.000 0.239 564 L C 1.281 178.137 176.870 -0.024 0.000 1.400 564 L CA 0.020 54.847 54.840 -0.022 0.000 1.226 564 L CB -1.074 40.973 42.059 -0.020 0.000 1.475 564 L HN 1.062 nan 8.230 nan 0.000 0.428 565 G N 0.885 109.671 108.800 -0.023 0.000 2.866 565 G HA2 -0.289 3.726 3.960 0.092 0.000 0.274 565 G HA3 -0.289 3.726 3.960 0.092 0.000 0.274 565 G C 0.442 175.323 174.900 -0.032 0.000 1.413 565 G CA 0.171 45.257 45.100 -0.023 0.000 0.997 565 G HN 0.441 nan 8.290 nan 0.000 0.559 566 D N 0.783 121.161 120.400 -0.036 0.000 2.395 566 D HA 0.417 5.112 4.640 0.092 0.000 0.213 566 D C 0.154 176.411 176.300 -0.072 0.000 1.110 566 D CA 0.527 54.499 54.000 -0.047 0.000 0.835 566 D CB 1.503 42.283 40.800 -0.033 0.000 0.965 566 D HN 0.326 nan 8.370 nan 0.000 0.505 567 V N 1.818 121.689 119.914 -0.071 0.000 2.588 567 V HA 0.268 4.443 4.120 0.092 0.000 0.304 567 V C -0.060 175.977 176.094 -0.094 0.000 1.042 567 V CA -0.834 61.411 62.300 -0.091 0.000 0.877 567 V CB 2.641 34.428 31.823 -0.061 0.000 0.996 567 V HN 0.024 nan 8.190 nan 0.000 0.425 568 M N 4.872 124.390 119.600 -0.137 0.000 2.220 568 M HA 0.563 5.098 4.480 0.092 0.000 0.343 568 M C 0.326 176.588 176.300 -0.064 0.000 1.470 568 M CA -0.160 55.073 55.300 -0.110 0.000 1.161 568 M CB 0.460 32.962 32.600 -0.162 0.000 1.737 568 M HN 0.826 nan 8.290 nan 0.000 0.464 569 A N 5.491 128.288 122.820 -0.038 0.000 2.401 569 A HA 0.594 4.969 4.320 0.092 0.000 0.259 569 A C -0.293 177.285 177.584 -0.009 0.000 1.103 569 A CA -0.522 51.503 52.037 -0.020 0.000 0.789 569 A CB 0.290 19.282 19.000 -0.012 0.000 1.035 569 A HN 0.905 nan 8.150 nan 0.000 0.491 570 V N -0.213 119.700 119.914 -0.002 0.000 3.164 570 V HA 1.012 5.188 4.120 0.092 0.000 0.313 570 V C -0.250 175.852 176.094 0.012 0.000 1.188 570 V CA -0.162 62.143 62.300 0.007 0.000 1.058 570 V CB 1.508 33.337 31.823 0.011 0.000 1.110 570 V HN 1.943 nan 8.190 nan 0.000 0.453 571 S N -1.185 114.525 115.700 0.017 0.000 2.669 571 S HA 0.354 4.879 4.470 0.092 0.000 0.304 571 S C -0.521 174.096 174.600 0.029 0.000 1.021 571 S CA 0.108 58.321 58.200 0.022 0.000 0.854 571 S CB 0.610 63.824 63.200 0.023 0.000 1.048 571 S HN 1.781 nan 8.310 nan 0.000 0.452 572 T N 1.533 116.107 114.554 0.033 0.000 2.788 572 T HA 0.336 4.741 4.350 0.092 0.000 0.333 572 T C 0.471 175.212 174.700 0.068 0.000 1.090 572 T CA 0.420 62.548 62.100 0.046 0.000 1.094 572 T CB -0.489 68.408 68.868 0.048 0.000 0.999 572 T HN 0.851 nan 8.240 nan 0.000 0.549 573 c N 1.776 120.439 118.600 0.105 0.000 2.656 573 c HA 0.833 5.458 4.570 0.092 0.000 0.404 573 c C -0.281 173.940 174.090 0.217 0.000 1.423 573 c CA -0.663 55.773 56.329 0.178 0.000 1.784 573 c CB 1.558 44.208 42.510 0.233 0.000 2.093 573 c HN 0.706 nan 8.230 nan 0.000 0.492 574 V N 2.154 122.216 119.914 0.247 0.000 2.525 574 V HA 0.365 4.540 4.120 0.092 0.000 0.299 574 V C -2.484 173.613 176.094 0.004 0.000 1.034 574 V CA -1.129 61.259 62.300 0.147 0.000 0.863 574 V CB 1.790 33.698 31.823 0.142 0.000 0.999 574 V HN 0.726 nan 8.190 nan 0.000 0.423 575 P HA 0.353 nan 4.420 nan 0.000 0.275 575 P C -0.996 176.190 177.300 -0.189 0.000 1.228 575 P CA -0.126 62.678 63.100 -0.493 0.000 0.786 575 P CB 0.935 32.402 31.700 -0.389 0.000 0.927 576 V N 1.625 121.418 119.914 -0.202 0.000 2.656 576 V HA 0.580 4.755 4.120 0.092 0.000 0.307 576 V C 0.260 176.324 176.094 -0.049 0.000 1.051 576 V CA -1.198 61.039 62.300 -0.105 0.000 0.893 576 V CB 1.596 33.290 31.823 -0.215 0.000 0.999 576 V HN 0.693 nan 8.190 nan 0.000 0.426 577 A N 3.001 125.805 122.820 -0.027 0.000 2.561 577 A HA 0.491 4.866 4.320 0.092 0.000 0.234 577 A C 1.573 179.161 177.584 0.007 0.000 1.055 577 A CA 0.599 52.633 52.037 -0.006 0.000 0.756 577 A CB 0.240 19.239 19.000 -0.001 0.000 0.986 577 A HN 1.538 nan 8.150 nan 0.000 0.505 578 A N 1.688 124.533 122.820 0.041 0.000 1.972 578 A HA -0.108 4.267 4.320 0.092 0.000 0.219 578 A C 1.285 178.864 177.584 -0.009 0.000 1.169 578 A CA 1.887 53.968 52.037 0.073 0.000 0.635 578 A CB -0.665 18.375 19.000 0.068 0.000 0.810 578 A HN 0.968 nan 8.150 nan 0.000 0.446 579 D N -1.829 118.567 120.400 -0.007 0.000 2.325 579 D HA 0.043 4.739 4.640 0.092 0.000 0.225 579 D C 0.328 176.615 176.300 -0.021 0.000 1.096 579 D CA 0.239 54.234 54.000 -0.008 0.000 0.844 579 D CB -0.637 40.166 40.800 0.005 0.000 0.925 579 D HN 0.533 nan 8.370 nan 0.000 0.513 580 N N -0.223 118.449 118.700 -0.046 0.000 2.401 580 N HA 0.206 5.001 4.740 0.092 0.000 0.264 580 N C -1.322 174.148 175.510 -0.066 0.000 1.238 580 N CA -0.251 52.773 53.050 -0.042 0.000 0.889 580 N CB 1.387 39.859 38.487 -0.025 0.000 1.196 580 N HN -0.036 nan 8.380 nan 0.000 0.511 581 V N 1.667 121.517 119.914 -0.107 0.000 2.569 581 V HA 0.437 4.612 4.120 0.092 0.000 0.301 581 V C -0.863 175.241 176.094 0.017 0.000 1.044 581 V CA -0.683 61.544 62.300 -0.121 0.000 0.874 581 V CB 1.749 33.286 31.823 -0.477 0.000 1.002 581 V HN 0.034 nan 8.190 nan 0.000 0.424 582 I N 4.862 125.443 120.570 0.019 0.000 2.433 582 I HA 0.502 4.727 4.170 0.092 0.000 0.292 582 I C 0.006 176.095 176.117 -0.048 0.000 1.001 582 I CA -0.435 60.870 61.300 0.009 0.000 1.119 582 I CB 2.079 40.063 38.000 -0.026 0.000 1.289 582 I HN 0.310 nan 8.210 nan 0.000 0.438 583 V N 5.914 125.763 119.914 -0.109 0.000 2.546 583 V HA 0.303 4.479 4.120 0.092 0.000 0.284 583 V C 0.046 176.058 176.094 -0.136 0.000 1.050 583 V CA -0.694 61.492 62.300 -0.190 0.000 0.981 583 V CB 1.108 32.767 31.823 -0.273 0.000 0.990 583 V HN 0.642 nan 8.190 nan 0.000 0.474 584 Q N 3.121 122.861 119.800 -0.100 0.000 2.314 584 Q HA 0.272 4.667 4.340 0.092 0.000 0.259 584 Q C 0.474 176.502 176.000 0.047 0.000 0.951 584 Q CA -0.551 55.215 55.803 -0.062 0.000 0.909 584 Q CB 1.035 29.727 28.738 -0.077 0.000 1.236 584 Q HN 0.704 nan 8.270 nan 0.000 0.444 585 N N 0.558 119.276 118.700 0.030 0.000 2.133 585 N HA -0.171 4.625 4.740 0.092 0.000 0.193 585 N C 0.491 176.204 175.510 0.338 0.000 1.012 585 N CA 1.059 54.191 53.050 0.137 0.000 0.871 585 N CB 0.044 38.546 38.487 0.026 0.000 1.011 585 N HN 0.296 nan 8.380 nan 0.000 0.435 586 S N -0.254 115.576 115.700 0.217 0.000 2.489 586 S HA 0.324 4.849 4.470 0.092 0.000 0.277 586 S C 0.298 175.032 174.600 0.224 0.000 1.230 586 S CA -0.493 57.847 58.200 0.234 0.000 1.053 586 S CB 0.279 63.564 63.200 0.142 0.000 0.955 586 S HN 0.141 nan 8.310 nan 0.000 0.488 587 M N 6.052 125.836 119.600 0.307 0.000 2.866 587 M HA 0.266 4.801 4.480 0.092 0.000 0.319 587 M C 0.074 176.550 176.300 0.293 0.000 1.244 587 M CA -0.203 55.245 55.300 0.247 0.000 0.974 587 M CB -0.335 32.371 32.600 0.177 0.000 1.291 587 M HN 0.659 nan 8.290 nan 0.000 0.513 588 R N -0.664 119.972 120.500 0.226 0.000 2.752 588 R HA 0.667 5.062 4.340 0.092 0.000 0.271 588 R C -1.460 174.845 176.300 0.009 0.000 1.026 588 R CA -0.888 55.209 56.100 -0.004 0.000 0.901 588 R CB 1.439 31.688 30.300 -0.085 0.000 1.243 588 R HN 0.118 nan 8.270 nan 0.000 0.463 589 I N 1.158 121.661 120.570 -0.111 0.000 2.354 589 I HA 0.177 4.402 4.170 0.092 0.000 0.292 589 I C 1.130 177.212 176.117 -0.058 0.000 0.989 589 I CA -0.587 60.660 61.300 -0.089 0.000 1.188 589 I CB 2.012 39.911 38.000 -0.169 0.000 1.342 589 I HN 0.843 nan 8.210 nan 0.000 0.457 590 S N 3.028 118.715 115.700 -0.023 0.000 2.414 590 S HA -0.091 4.434 4.470 0.092 0.000 0.227 590 S C 1.832 176.415 174.600 -0.028 0.000 1.022 590 S CA 1.561 59.750 58.200 -0.018 0.000 0.958 590 S CB 0.148 63.347 63.200 -0.002 0.000 0.797 590 S HN 0.743 nan 8.310 nan 0.000 0.493 591 S N 1.954 117.634 115.700 -0.033 0.000 2.345 591 S HA -0.018 4.507 4.470 0.092 0.000 0.220 591 S C 0.997 175.570 174.600 -0.045 0.000 1.031 591 S CA 0.842 59.021 58.200 -0.034 0.000 0.996 591 S CB -0.220 62.960 63.200 -0.034 0.000 0.882 591 S HN 0.727 nan 8.310 nan 0.000 0.445 592 R N 1.601 122.062 120.500 -0.065 0.000 2.505 592 R HA 0.447 4.842 4.340 0.092 0.000 0.284 592 R C -3.399 172.848 176.300 -0.087 0.000 1.324 592 R CA -1.860 54.196 56.100 -0.072 0.000 1.432 592 R CB 0.094 30.345 30.300 -0.082 0.000 1.107 592 R HN 0.093 nan 8.270 nan 0.000 0.587 593 P HA 0.036 nan 4.420 nan 0.000 0.268 593 P C 0.910 178.159 177.300 -0.085 0.000 1.208 593 P CA 1.124 64.179 63.100 -0.075 0.000 0.777 593 P CB 0.808 32.477 31.700 -0.050 0.000 0.875 594 G N -0.016 108.723 108.800 -0.101 0.000 2.258 594 G HA2 -0.088 3.928 3.960 0.092 0.000 0.233 594 G HA3 -0.088 3.928 3.960 0.092 0.000 0.233 594 G C 0.200 175.016 174.900 -0.140 0.000 1.006 594 G CA 0.057 45.098 45.100 -0.098 0.000 0.620 594 G HN 0.884 nan 8.290 nan 0.000 0.511 595 A N -0.696 122.019 122.820 -0.174 0.000 2.350 595 A HA 0.825 5.200 4.320 0.092 0.000 0.324 595 A C 0.146 177.532 177.584 -0.331 0.000 1.118 595 A CA 0.302 52.204 52.037 -0.224 0.000 0.783 595 A CB 1.624 20.515 19.000 -0.181 0.000 1.236 595 A HN 1.152 nan 8.150 nan 0.000 0.457 596 c N -0.539 117.797 118.600 -0.441 0.000 3.235 596 c HA 0.673 5.299 4.570 0.092 0.000 0.351 596 c C -0.464 173.401 174.090 -0.376 0.000 1.520 596 c CA -0.805 55.185 56.329 -0.565 0.000 1.474 596 c CB 0.635 42.331 42.510 -1.358 0.000 2.019 596 c HN 0.816 nan 8.230 nan 0.000 0.446 597 Y N 0.897 121.111 120.300 -0.144 0.000 2.301 597 Y HA 0.279 4.884 4.550 0.092 0.000 0.328 597 Y C 1.693 177.674 175.900 0.134 0.000 1.242 597 Y CA 0.515 58.602 58.100 -0.022 0.000 1.323 597 Y CB 1.142 39.563 38.460 -0.064 0.000 1.266 597 Y HN 0.818 nan 8.280 nan 0.000 0.527 598 S N 0.970 116.838 115.700 0.280 0.000 2.483 598 S HA 0.231 4.756 4.470 0.092 0.000 0.221 598 S C 0.453 175.131 174.600 0.130 0.000 1.030 598 S CA -0.227 58.133 58.200 0.265 0.000 0.925 598 S CB 0.380 63.696 63.200 0.193 0.000 0.795 598 S HN 0.636 nan 8.310 nan 0.000 0.511 599 R N 1.465 121.919 120.500 -0.077 0.000 2.628 599 R HA 0.531 4.926 4.340 0.092 0.000 0.288 599 R C -3.283 172.677 176.300 -0.568 0.000 0.980 599 R CA -2.252 53.527 56.100 -0.534 0.000 0.891 599 R CB 1.557 31.643 30.300 -0.357 0.000 1.188 599 R HN 0.027 nan 8.270 nan 0.000 0.450 600 P HA -0.039 nan 4.420 nan 0.000 0.270 600 P C -0.683 176.281 177.300 -0.561 0.000 1.221 600 P CA 0.137 62.801 63.100 -0.726 0.000 0.788 600 P CB 0.503 31.765 31.700 -0.730 0.000 0.904 601 L N 0.659 121.567 121.223 -0.526 0.000 2.416 601 L HA 0.576 4.971 4.340 0.092 0.000 0.262 601 L C -0.062 176.666 176.870 -0.237 0.000 1.093 601 L CA -0.734 53.860 54.840 -0.411 0.000 0.801 601 L CB 1.037 42.840 42.059 -0.427 0.000 1.191 601 L HN 0.075 nan 8.230 nan 0.000 0.459 602 V N 0.086 119.918 119.914 -0.137 0.000 2.932 602 V HA 0.473 4.648 4.120 0.092 0.000 0.307 602 V C -0.740 175.368 176.094 0.024 0.000 1.147 602 V CA -0.563 61.711 62.300 -0.044 0.000 0.951 602 V CB 2.413 34.241 31.823 0.009 0.000 1.031 602 V HN 0.890 nan 8.190 nan 0.000 0.426 603 S N 3.522 119.237 115.700 0.025 0.000 2.536 603 S HA 0.973 5.498 4.470 0.092 0.000 0.287 603 S C -0.941 173.682 174.600 0.038 0.000 1.101 603 S CA -0.632 57.551 58.200 -0.028 0.000 0.950 603 S CB 2.161 65.308 63.200 -0.090 0.000 1.056 603 S HN 1.127 nan 8.310 nan 0.000 0.481 604 F N -0.683 119.175 119.950 -0.154 0.000 2.923 604 F HA 0.878 5.461 4.527 0.092 0.000 0.323 604 F C -1.201 174.461 175.800 -0.231 0.000 1.189 604 F CA -1.377 56.497 58.000 -0.209 0.000 0.930 604 F CB 1.242 40.076 39.000 -0.275 0.000 1.414 604 F HN 0.885 nan 8.300 nan 0.000 0.496 605 R N -0.196 120.301 120.500 -0.004 0.000 2.536 605 R HA 0.358 4.753 4.340 0.092 0.000 0.269 605 R C -1.503 174.768 176.300 -0.048 0.000 1.113 605 R CA -0.744 55.294 56.100 -0.102 0.000 0.948 605 R CB 0.833 31.102 30.300 -0.053 0.000 1.237 605 R HN 0.834 nan 8.270 nan 0.000 0.441 606 Y N 0.858 121.256 120.300 0.164 0.000 2.153 606 Y HA 0.012 4.617 4.550 0.092 0.000 0.289 606 Y C 0.648 176.582 175.900 0.056 0.000 1.127 606 Y CA 0.625 58.792 58.100 0.112 0.000 1.131 606 Y CB 0.162 38.683 38.460 0.103 0.000 0.995 606 Y HN 0.400 nan 8.280 nan 0.000 0.505 607 E N 1.640 121.971 120.200 0.217 0.000 2.344 607 E HA -0.086 4.319 4.350 0.092 0.000 0.270 607 E C 0.328 176.969 176.600 0.068 0.000 1.021 607 E CA 0.106 56.574 56.400 0.114 0.000 0.887 607 E CB 0.816 30.570 29.700 0.089 0.000 0.997 607 E HN 0.291 nan 8.360 nan 0.000 0.429 608 D N 2.608 123.037 120.400 0.048 0.000 2.315 608 D HA -0.181 4.514 4.640 0.092 0.000 0.211 608 D C 0.704 177.016 176.300 0.020 0.000 0.977 608 D CA 1.453 55.469 54.000 0.028 0.000 0.894 608 D CB 0.374 41.188 40.800 0.023 0.000 0.910 608 D HN 0.424 nan 8.370 nan 0.000 0.490 609 Q N -1.314 118.499 119.800 0.023 0.000 2.164 609 Q HA 0.281 4.676 4.340 0.092 0.000 0.226 609 Q C 1.061 177.069 176.000 0.014 0.000 0.813 609 Q CA 0.008 55.819 55.803 0.014 0.000 0.978 609 Q CB 1.309 30.055 28.738 0.013 0.000 1.149 609 Q HN 0.093 nan 8.270 nan 0.000 0.489 610 G N 2.748 111.563 108.800 0.026 0.000 2.647 610 G HA2 0.179 4.194 3.960 0.092 0.000 0.271 610 G HA3 0.179 4.194 3.960 0.092 0.000 0.271 610 G C -2.007 172.893 174.900 -0.000 0.000 1.300 610 G CA -0.622 44.495 45.100 0.028 0.000 0.997 610 G HN -0.033 nan 8.290 nan 0.000 0.533 611 P HA 0.347 nan 4.420 nan 0.000 0.307 611 P C -0.958 176.286 177.300 -0.092 0.000 1.306 611 P CA -0.451 62.624 63.100 -0.040 0.000 0.742 611 P CB 0.610 32.291 31.700 -0.032 0.000 1.349 612 L N -0.788 120.360 121.223 -0.126 0.000 2.341 612 L HA 0.395 4.790 4.340 0.092 0.000 0.278 612 L C -0.030 176.667 176.870 -0.288 0.000 1.005 612 L CA -0.629 54.086 54.840 -0.208 0.000 0.818 612 L CB 1.695 43.664 42.059 -0.149 0.000 1.259 612 L HN 0.053 nan 8.230 nan 0.000 0.418 613 V N 1.355 120.940 119.914 -0.548 0.000 2.630 613 V HA 0.450 4.625 4.120 0.092 0.000 0.305 613 V C -0.090 175.707 176.094 -0.495 0.000 1.046 613 V CA -0.891 61.047 62.300 -0.603 0.000 0.934 613 V CB 1.923 33.137 31.823 -1.014 0.000 1.003 613 V HN 0.657 nan 8.190 nan 0.000 0.451 614 E N 1.993 122.046 120.200 -0.244 0.000 2.109 614 E HA 0.616 5.021 4.350 0.092 0.000 0.278 614 E C 0.100 176.696 176.600 -0.007 0.000 0.954 614 E CA -0.089 56.244 56.400 -0.111 0.000 0.779 614 E CB 1.898 31.558 29.700 -0.068 0.000 1.093 614 E HN 0.914 nan 8.360 nan 0.000 0.401 615 G N 2.323 111.160 108.800 0.062 0.000 2.947 615 G HA2 0.482 4.497 3.960 0.092 0.000 0.293 615 G HA3 0.482 4.497 3.960 0.092 0.000 0.293 615 G C -1.385 173.531 174.900 0.026 0.000 1.243 615 G CA -0.553 44.618 45.100 0.119 0.000 0.802 615 G HN 0.470 nan 8.290 nan 0.000 0.560 616 Q N -1.427 118.377 119.800 0.007 0.000 2.534 616 Q HA 0.675 5.070 4.340 0.092 0.000 0.290 616 Q C -1.550 174.411 176.000 -0.064 0.000 0.991 616 Q CA -0.915 54.832 55.803 -0.093 0.000 0.783 616 Q CB 1.940 30.569 28.738 -0.181 0.000 1.470 616 Q HN 0.631 nan 8.270 nan 0.000 0.406 617 L N 0.896 122.048 121.223 -0.119 0.000 2.461 617 L HA 0.667 5.062 4.340 0.092 0.000 0.272 617 L C -0.085 176.766 176.870 -0.031 0.000 1.197 617 L CA 1.325 56.139 54.840 -0.044 0.000 0.836 617 L CB 1.004 43.012 42.059 -0.084 0.000 1.105 617 L HN 0.827 nan 8.230 nan 0.000 0.477 618 G N 2.896 111.728 108.800 0.053 0.000 2.619 618 G HA2 0.448 4.463 3.960 0.092 0.000 0.296 618 G HA3 0.448 4.463 3.960 0.092 0.000 0.296 618 G C -1.170 173.792 174.900 0.102 0.000 1.334 618 G CA -0.706 44.429 45.100 0.059 0.000 0.934 618 G HN 0.651 nan 8.290 nan 0.000 0.476 619 E N 1.058 121.319 120.200 0.100 0.000 2.534 619 E HA -0.031 4.374 4.350 0.092 0.000 0.264 619 E C -0.015 176.641 176.600 0.093 0.000 0.981 619 E CA 0.447 56.917 56.400 0.117 0.000 0.948 619 E CB 0.255 30.015 29.700 0.101 0.000 0.934 619 E HN 0.456 nan 8.360 nan 0.000 0.459 620 N N 3.022 121.774 118.700 0.086 0.000 2.758 620 N HA -0.207 4.588 4.740 0.092 0.000 0.248 620 N C -0.985 174.541 175.510 0.027 0.000 1.076 620 N CA 0.870 53.941 53.050 0.034 0.000 0.696 620 N CB -1.384 37.108 38.487 0.010 0.000 0.979 620 N HN 0.608 nan 8.380 nan 0.000 0.550 621 N N -0.770 117.971 118.700 0.067 0.000 2.727 621 N HA -0.231 4.564 4.740 0.092 0.000 0.249 621 N C -0.234 175.413 175.510 0.228 0.000 1.048 621 N CA 1.279 54.396 53.050 0.111 0.000 0.714 621 N CB -0.908 37.316 38.487 -0.438 0.000 0.959 621 N HN 0.781 nan 8.380 nan 0.000 0.544 622 E N 1.024 121.330 120.200 0.177 0.000 1.993 622 E HA 0.204 4.609 4.350 0.092 0.000 0.271 622 E C 0.023 176.684 176.600 0.102 0.000 1.008 622 E CA -0.515 55.972 56.400 0.145 0.000 0.814 622 E CB 0.258 30.015 29.700 0.095 0.000 1.098 622 E HN 0.224 nan 8.360 nan 0.000 0.407 623 L N 5.128 126.379 121.223 0.048 0.000 2.615 623 L HA 0.071 4.466 4.340 0.092 0.000 0.271 623 L C 0.529 177.388 176.870 -0.019 0.000 1.183 623 L CA 0.562 55.361 54.840 -0.069 0.000 0.933 623 L CB -0.100 41.704 42.059 -0.425 0.000 1.199 623 L HN 0.391 nan 8.230 nan 0.000 0.487 624 R N 4.486 125.006 120.500 0.033 0.000 2.204 624 R HA 0.253 4.648 4.340 0.092 0.000 0.341 624 R C 0.901 177.262 176.300 0.103 0.000 1.035 624 R CA -0.538 55.600 56.100 0.062 0.000 0.887 624 R CB 1.052 31.379 30.300 0.045 0.000 1.114 624 R HN 0.640 nan 8.270 nan 0.000 0.473 625 L N 1.146 122.457 121.223 0.147 0.000 1.978 625 L HA -0.179 4.217 4.340 0.092 0.000 0.218 625 L C 0.863 177.796 176.870 0.105 0.000 1.075 625 L CA 1.480 56.425 54.840 0.174 0.000 0.767 625 L CB -0.509 41.654 42.059 0.174 0.000 0.890 625 L HN 0.516 nan 8.230 nan 0.000 0.434 626 T N 1.486 116.090 114.554 0.083 0.000 2.776 626 T HA 0.226 4.631 4.350 0.092 0.000 0.292 626 T C 0.144 174.883 174.700 0.065 0.000 0.921 626 T CA -0.378 61.761 62.100 0.066 0.000 1.038 626 T CB 0.046 68.949 68.868 0.057 0.000 0.910 626 T HN 0.105 nan 8.240 nan 0.000 0.536 627 R N 3.078 123.620 120.500 0.069 0.000 2.474 627 R HA 0.118 4.513 4.340 0.092 0.000 0.339 627 R C 0.436 176.823 176.300 0.143 0.000 1.033 627 R CA 0.110 56.267 56.100 0.095 0.000 0.997 627 R CB 0.071 30.432 30.300 0.101 0.000 0.963 627 R HN 0.532 nan 8.270 nan 0.000 0.438 628 D N 1.422 121.895 120.400 0.123 0.000 2.473 628 D HA 0.035 4.730 4.640 0.092 0.000 0.242 628 D C 0.169 176.530 176.300 0.102 0.000 1.106 628 D CA 0.026 54.083 54.000 0.094 0.000 0.854 628 D CB 0.369 41.204 40.800 0.058 0.000 1.192 628 D HN 0.494 nan 8.370 nan 0.000 0.503 629 A N 1.867 124.767 122.820 0.133 0.000 2.618 629 A HA 0.308 4.683 4.320 0.092 0.000 0.293 629 A C 0.160 177.858 177.584 0.191 0.000 1.413 629 A CA 0.426 52.539 52.037 0.127 0.000 1.074 629 A CB -1.032 18.013 19.000 0.075 0.000 1.087 629 A HN 0.158 nan 8.150 nan 0.000 0.553 630 I N 2.610 123.216 120.570 0.061 0.000 2.478 630 I HA 0.297 4.522 4.170 0.092 0.000 0.287 630 I C -0.168 175.931 176.117 -0.029 0.000 1.042 630 I CA -0.403 60.859 61.300 -0.063 0.000 1.067 630 I CB 2.020 39.886 38.000 -0.222 0.000 1.233 630 I HN 0.827 nan 8.210 nan 0.000 0.431 631 E N 6.983 127.183 120.200 -0.001 0.000 2.256 631 E HA 0.612 5.017 4.350 0.092 0.000 0.267 631 E C -2.842 173.735 176.600 -0.038 0.000 0.892 631 E CA -2.527 53.896 56.400 0.037 0.000 0.775 631 E CB 1.850 31.647 29.700 0.162 0.000 1.207 631 E HN 0.122 nan 8.360 nan 0.000 0.420 632 P HA -0.036 nan 4.420 nan 0.000 0.265 632 P C -0.349 176.919 177.300 -0.054 0.000 1.193 632 P CA -0.367 62.700 63.100 -0.056 0.000 0.765 632 P CB 0.352 32.045 31.700 -0.010 0.000 0.823 633 c N 3.317 121.809 118.600 -0.180 0.000 2.465 633 c HA 0.043 4.668 4.570 0.092 0.000 0.402 633 c C 1.000 175.167 174.090 0.129 0.000 1.448 633 c CA 0.810 57.006 56.329 -0.221 0.000 1.589 633 c CB -1.431 40.953 42.510 -0.210 0.000 2.535 633 c HN 0.519 nan 8.230 nan 0.000 0.600 634 T N 4.010 118.867 114.554 0.505 0.000 2.797 634 T HA 0.423 4.828 4.350 0.092 0.000 0.279 634 T C -0.007 174.890 174.700 0.329 0.000 0.991 634 T CA -0.424 61.908 62.100 0.385 0.000 0.979 634 T CB 1.161 70.260 68.868 0.385 0.000 0.943 634 T HN 0.456 nan 8.240 nan 0.000 0.444 635 V N 2.358 122.382 119.914 0.185 0.000 2.881 635 V HA 0.491 4.666 4.120 0.092 0.000 0.303 635 V C 1.542 177.703 176.094 0.113 0.000 1.070 635 V CA 0.314 62.697 62.300 0.139 0.000 1.074 635 V CB 0.885 32.761 31.823 0.089 0.000 1.012 635 V HN 1.222 nan 8.190 nan 0.000 0.482 636 G N 1.571 110.428 108.800 0.095 0.000 2.258 636 G HA2 -0.293 3.722 3.960 0.092 0.000 0.274 636 G HA3 -0.293 3.722 3.960 0.092 0.000 0.274 636 G C 0.406 175.325 174.900 0.033 0.000 1.021 636 G CA 0.614 45.750 45.100 0.060 0.000 0.798 636 G HN 1.150 nan 8.290 nan 0.000 0.507 637 H N 0.711 119.745 119.070 -0.061 0.000 3.157 637 H HA 0.272 4.883 4.556 0.092 0.000 0.299 637 H C 0.396 175.571 175.328 -0.255 0.000 0.961 637 H CA 0.581 56.502 56.048 -0.212 0.000 1.428 637 H CB 0.251 29.747 29.762 -0.444 0.000 1.459 637 H HN 0.492 nan 8.280 nan 0.000 0.566 638 R N 5.059 125.138 120.500 -0.700 0.000 2.514 638 R HA 0.449 4.844 4.340 0.092 0.000 0.296 638 R C -0.577 175.178 176.300 -0.907 0.000 1.012 638 R CA -0.963 54.720 56.100 -0.695 0.000 0.897 638 R CB 1.829 31.984 30.300 -0.242 0.000 1.184 638 R HN 0.521 nan 8.270 nan 0.000 0.440 639 R N 2.520 122.323 120.500 -1.162 0.000 2.621 639 R HA 0.368 4.763 4.340 0.092 0.000 0.284 639 R C -1.342 174.290 176.300 -1.113 0.000 0.998 639 R CA -0.898 54.586 56.100 -1.026 0.000 0.895 639 R CB 1.770 31.550 30.300 -0.867 0.000 1.195 639 R HN 0.557 nan 8.270 nan 0.000 0.450 640 Y N 2.110 121.967 120.300 -0.738 0.000 2.364 640 Y HA 0.519 5.124 4.550 0.092 0.000 0.340 640 Y C -0.119 175.430 175.900 -0.585 0.000 0.975 640 Y CA -0.474 57.358 58.100 -0.447 0.000 1.089 640 Y CB 1.515 39.804 38.460 -0.284 0.000 1.192 640 Y HN 0.395 nan 8.280 nan 0.000 0.454 641 F N -0.040 120.075 119.950 0.275 0.000 2.593 641 F HA 0.489 5.071 4.527 0.092 0.000 0.320 641 F C 0.085 176.114 175.800 0.380 0.000 1.060 641 F CA -1.212 56.940 58.000 0.253 0.000 0.940 641 F CB 1.905 40.983 39.000 0.130 0.000 1.268 641 F HN 0.191 nan 8.300 nan 0.000 0.475 642 T N 2.318 117.186 114.554 0.523 0.000 2.761 642 T HA 0.319 4.725 4.350 0.092 0.000 0.296 642 T C -1.283 173.671 174.700 0.424 0.000 0.934 642 T CA 0.171 62.481 62.100 0.352 0.000 1.091 642 T CB -0.081 68.913 68.868 0.210 0.000 0.896 642 T HN 0.387 nan 8.240 nan 0.000 0.515 643 F N 3.196 123.236 119.950 0.149 0.000 3.228 643 F HA 0.499 5.082 4.527 0.092 0.000 0.385 643 F C 0.507 176.416 175.800 0.182 0.000 1.247 643 F CA 0.204 58.365 58.000 0.269 0.000 1.211 643 F CB 0.102 39.305 39.000 0.338 0.000 1.719 643 F HN 0.910 nan 8.300 nan 0.000 0.630 644 G N 2.801 111.384 108.800 -0.362 0.000 2.512 644 G HA2 -0.125 3.890 3.960 0.092 0.000 0.240 644 G HA3 -0.125 3.890 3.960 0.092 0.000 0.240 644 G C 0.876 175.620 174.900 -0.259 0.000 1.246 644 G CA -0.170 44.689 45.100 -0.403 0.000 0.919 644 G HN 1.390 nan 8.290 nan 0.000 0.577 645 G N 0.528 109.230 108.800 -0.164 0.000 3.061 645 G HA2 0.590 4.606 3.960 0.092 0.000 0.208 645 G HA3 0.590 4.606 3.960 0.092 0.000 0.208 645 G C 0.745 175.565 174.900 -0.134 0.000 1.175 645 G CA 1.547 46.568 45.100 -0.132 0.000 0.812 645 G HN 1.848 nan 8.290 nan 0.000 0.523 646 G N -1.504 107.214 108.800 -0.137 0.000 2.749 646 G HA2 0.561 4.576 3.960 0.092 0.000 0.300 646 G HA3 0.561 4.576 3.960 0.092 0.000 0.300 646 G C -1.393 173.416 174.900 -0.151 0.000 1.352 646 G CA -0.963 44.052 45.100 -0.143 0.000 0.789 646 G HN 0.014 nan 8.290 nan 0.000 0.509 647 Y N -1.772 118.645 120.300 0.195 0.000 2.612 647 Y HA 0.751 5.356 4.550 0.092 0.000 0.334 647 Y C 0.235 176.320 175.900 0.308 0.000 1.227 647 Y CA -0.738 57.514 58.100 0.253 0.000 1.356 647 Y CB 1.939 40.526 38.460 0.212 0.000 1.534 647 Y HN 0.441 nan 8.280 nan 0.000 0.576 648 V N 0.285 120.509 119.914 0.516 0.000 2.817 648 V HA 0.359 4.534 4.120 0.092 0.000 0.303 648 V C -2.119 174.130 176.094 0.258 0.000 1.151 648 V CA -0.767 61.747 62.300 0.357 0.000 0.929 648 V CB 1.577 33.631 31.823 0.386 0.000 1.030 648 V HN 0.624 nan 8.190 nan 0.000 0.427 649 Y N 6.057 126.254 120.300 -0.170 0.000 2.361 649 Y HA 0.761 5.367 4.550 0.092 0.000 0.332 649 Y C -1.229 174.508 175.900 -0.272 0.000 1.101 649 Y CA -0.862 57.001 58.100 -0.395 0.000 1.137 649 Y CB 1.836 39.870 38.460 -0.710 0.000 1.207 649 Y HN 0.623 nan 8.280 nan 0.000 0.463 650 F N 4.277 123.629 119.950 -0.997 0.000 2.612 650 F HA 0.294 4.876 4.527 0.092 0.000 0.332 650 F C -0.590 174.798 175.800 -0.687 0.000 1.167 650 F CA -0.756 56.927 58.000 -0.528 0.000 0.970 650 F CB 1.455 40.415 39.000 -0.068 0.000 1.234 650 F HN 0.475 nan 8.300 nan 0.000 0.453 651 E N 3.652 123.696 120.200 -0.261 0.000 2.151 651 E HA 0.262 4.667 4.350 0.092 0.000 0.275 651 E C -0.349 176.331 176.600 0.134 0.000 0.936 651 E CA -0.224 56.150 56.400 -0.044 0.000 0.777 651 E CB 0.778 30.581 29.700 0.173 0.000 1.108 651 E HN 0.528 nan 8.360 nan 0.000 0.401 652 E N 3.113 123.443 120.200 0.216 0.000 2.476 652 E HA -0.280 4.125 4.350 0.092 0.000 0.251 652 E C -0.630 176.057 176.600 0.145 0.000 1.130 652 E CA 1.152 57.653 56.400 0.167 0.000 0.736 652 E CB -1.844 27.948 29.700 0.153 0.000 1.298 652 E HN 0.852 nan 8.360 nan 0.000 0.400 653 Y N -4.226 116.005 120.300 -0.114 0.000 4.753 653 Y HA -0.347 4.258 4.550 0.092 0.000 0.232 653 Y C 0.734 176.798 175.900 0.274 0.000 1.029 653 Y CA 0.930 58.974 58.100 -0.094 0.000 1.996 653 Y CB -1.678 36.628 38.460 -0.257 0.000 1.602 653 Y HN 0.425 nan 8.280 nan 0.000 0.621 654 A N -0.454 122.557 122.820 0.318 0.000 2.318 654 A HA 0.580 4.955 4.320 0.092 0.000 0.324 654 A C -0.448 177.024 177.584 -0.187 0.000 1.170 654 A CA -0.690 51.453 52.037 0.176 0.000 0.810 654 A CB 0.381 19.448 19.000 0.111 0.000 1.198 654 A HN 0.267 nan 8.150 nan 0.000 0.484 655 Y N 2.598 122.556 120.300 -0.571 0.000 2.890 655 Y HA 0.102 4.707 4.550 0.092 0.000 0.341 655 Y C 1.057 176.648 175.900 -0.514 0.000 1.269 655 Y CA 1.836 59.258 58.100 -1.129 0.000 1.517 655 Y CB 0.637 38.757 38.460 -0.567 0.000 1.314 655 Y HN 0.672 nan 8.280 nan 0.000 0.622 656 S N 2.369 117.286 115.700 -1.306 0.000 3.600 656 S HA 0.212 4.737 4.470 0.092 0.000 0.179 656 S C -0.702 173.495 174.600 -0.671 0.000 0.816 656 S CA 0.284 58.118 58.200 -0.609 0.000 0.916 656 S CB 0.241 63.390 63.200 -0.085 0.000 1.164 656 S HN 0.891 nan 8.310 nan 0.000 0.709 657 H N 0.228 118.901 119.070 -0.662 0.000 2.905 657 H HA 0.582 5.193 4.556 0.092 0.000 0.280 657 H C -1.808 173.479 175.328 -0.068 0.000 1.445 657 H CA -0.815 55.062 56.048 -0.286 0.000 1.165 657 H CB 0.536 30.237 29.762 -0.101 0.000 1.857 657 H HN 0.255 nan 8.280 nan 0.000 0.567 658 Q N 0.659 120.563 119.800 0.172 0.000 2.365 658 Q HA 0.561 4.956 4.340 0.092 0.000 0.269 658 Q C -1.006 175.166 176.000 0.287 0.000 1.061 658 Q CA -0.953 54.974 55.803 0.207 0.000 0.816 658 Q CB 3.106 32.021 28.738 0.295 0.000 1.325 658 Q HN 0.328 nan 8.270 nan 0.000 0.446 659 L N -0.141 121.245 121.223 0.273 0.000 2.256 659 L HA 0.605 5.000 4.340 0.092 0.000 0.261 659 L C -0.071 176.940 176.870 0.236 0.000 1.022 659 L CA -0.632 54.371 54.840 0.271 0.000 0.828 659 L CB 1.714 43.942 42.059 0.282 0.000 1.374 659 L HN 0.488 nan 8.230 nan 0.000 0.436 660 S N -0.902 114.911 115.700 0.188 0.000 2.654 660 S HA 0.424 4.949 4.470 0.092 0.000 0.283 660 S C 1.053 175.763 174.600 0.184 0.000 1.180 660 S CA -0.451 57.837 58.200 0.147 0.000 1.021 660 S CB 1.085 64.345 63.200 0.100 0.000 1.018 660 S HN 0.593 nan 8.310 nan 0.000 0.532 661 R N 1.453 122.036 120.500 0.139 0.000 2.120 661 R HA -0.091 4.304 4.340 0.092 0.000 0.234 661 R C 2.255 178.634 176.300 0.132 0.000 1.123 661 R CA 1.420 57.632 56.100 0.186 0.000 0.975 661 R CB -0.674 29.677 30.300 0.085 0.000 0.866 661 R HN 0.729 nan 8.270 nan 0.000 0.446 662 A N 1.338 124.210 122.820 0.086 0.000 2.015 662 A HA -0.150 4.225 4.320 0.092 0.000 0.219 662 A C 1.194 178.809 177.584 0.051 0.000 1.163 662 A CA 1.491 53.562 52.037 0.057 0.000 0.646 662 A CB -0.186 18.841 19.000 0.045 0.000 0.806 662 A HN 0.152 nan 8.150 nan 0.000 0.448 663 D N -0.511 119.932 120.400 0.072 0.000 2.350 663 D HA 0.019 4.714 4.640 0.092 0.000 0.216 663 D C 0.320 176.630 176.300 0.017 0.000 0.968 663 D CA 0.624 54.659 54.000 0.057 0.000 0.894 663 D CB 0.080 40.939 40.800 0.098 0.000 0.909 663 D HN 0.252 nan 8.370 nan 0.000 0.520 664 I N 1.046 121.625 120.570 0.014 0.000 2.441 664 I HA 0.085 4.310 4.170 0.092 0.000 0.295 664 I C 0.452 176.541 176.117 -0.047 0.000 0.994 664 I CA -0.688 60.571 61.300 -0.068 0.000 1.144 664 I CB 1.543 39.451 38.000 -0.153 0.000 1.314 664 I HN -0.178 nan 8.210 nan 0.000 0.445 665 T N 2.238 116.746 114.554 -0.076 0.000 2.853 665 T HA 0.218 4.623 4.350 0.092 0.000 0.298 665 T C 0.298 174.962 174.700 -0.059 0.000 0.978 665 T CA -0.296 61.770 62.100 -0.057 0.000 1.152 665 T CB -0.109 68.721 68.868 -0.064 0.000 0.914 665 T HN 0.574 nan 8.240 nan 0.000 0.539 666 T N 3.804 118.337 114.554 -0.035 0.000 2.799 666 T HA 0.526 4.931 4.350 0.092 0.000 0.286 666 T C -0.150 174.518 174.700 -0.053 0.000 0.973 666 T CA -0.620 61.457 62.100 -0.037 0.000 1.035 666 T CB 1.090 69.951 68.868 -0.013 0.000 0.932 666 T HN 0.637 nan 8.240 nan 0.000 0.469 667 V N 2.615 122.484 119.914 -0.075 0.000 2.540 667 V HA 0.575 4.750 4.120 0.092 0.000 0.302 667 V C 0.152 176.165 176.094 -0.135 0.000 1.035 667 V CA -0.789 61.460 62.300 -0.086 0.000 0.873 667 V CB 2.054 33.829 31.823 -0.080 0.000 0.992 667 V HN 0.891 nan 8.190 nan 0.000 0.428 668 S N 1.961 117.572 115.700 -0.149 0.000 2.617 668 S HA 0.445 4.971 4.470 0.092 0.000 0.283 668 S C 0.980 175.421 174.600 -0.266 0.000 1.189 668 S CA 0.218 58.250 58.200 -0.281 0.000 1.036 668 S CB 1.545 64.621 63.200 -0.206 0.000 1.014 668 S HN 1.027 nan 8.310 nan 0.000 0.522 669 T N 1.286 115.580 114.554 -0.433 0.000 3.054 669 T HA 0.367 4.772 4.350 0.092 0.000 0.255 669 T C 0.061 174.723 174.700 -0.063 0.000 1.035 669 T CA -0.223 61.743 62.100 -0.223 0.000 0.941 669 T CB -0.378 68.376 68.868 -0.190 0.000 1.026 669 T HN 0.338 nan 8.240 nan 0.000 0.533 670 F N 1.732 121.690 119.950 0.014 0.000 2.410 670 F HA 0.543 5.125 4.527 0.092 0.000 0.334 670 F C 0.693 176.505 175.800 0.021 0.000 1.134 670 F CA -2.545 55.468 58.000 0.021 0.000 1.227 670 F CB 0.310 39.324 39.000 0.024 0.000 1.194 670 F HN 0.050 nan 8.300 nan 0.000 0.571 671 I N 2.859 123.572 120.570 0.239 0.000 2.382 671 I HA 0.188 4.413 4.170 0.092 0.000 0.286 671 I C -0.458 175.724 176.117 0.109 0.000 1.002 671 I CA -0.858 60.523 61.300 0.136 0.000 1.135 671 I CB 1.207 39.267 38.000 0.100 0.000 1.288 671 I HN 0.401 nan 8.210 nan 0.000 0.448 672 D N 5.723 126.177 120.400 0.091 0.000 2.357 672 D HA 0.343 5.038 4.640 0.092 0.000 0.242 672 D C -0.493 175.836 176.300 0.047 0.000 1.153 672 D CA 0.070 54.108 54.000 0.065 0.000 0.918 672 D CB 2.058 42.893 40.800 0.058 0.000 1.181 672 D HN 0.175 nan 8.370 nan 0.000 0.435 673 L N 2.287 123.529 121.223 0.032 0.000 2.573 673 L HA 0.189 4.585 4.340 0.092 0.000 0.260 673 L C -0.829 176.048 176.870 0.012 0.000 0.997 673 L CA -0.584 54.270 54.840 0.024 0.000 0.890 673 L CB 0.966 43.040 42.059 0.026 0.000 1.179 673 L HN 0.102 nan 8.230 nan 0.000 0.439 674 N N 4.486 123.194 118.700 0.013 0.000 3.050 674 N HA 0.154 4.950 4.740 0.092 0.000 0.289 674 N C -0.659 174.852 175.510 0.002 0.000 1.209 674 N CA -0.133 52.921 53.050 0.007 0.000 1.154 674 N CB -0.212 38.281 38.487 0.010 0.000 1.444 674 N HN 0.500 nan 8.380 nan 0.000 0.529 675 I N 1.710 122.277 120.570 -0.004 0.000 2.352 675 I HA 0.163 4.388 4.170 0.092 0.000 0.290 675 I C 0.623 176.735 176.117 -0.009 0.000 1.036 675 I CA -0.020 61.275 61.300 -0.008 0.000 1.336 675 I CB 0.770 38.759 38.000 -0.018 0.000 1.407 675 I HN 0.381 nan 8.210 nan 0.000 0.497 676 T N 4.657 119.208 114.554 -0.005 0.000 2.932 676 T HA 0.688 5.093 4.350 0.092 0.000 0.289 676 T C 0.065 174.763 174.700 -0.003 0.000 1.039 676 T CA -1.054 61.044 62.100 -0.004 0.000 1.024 676 T CB 1.294 70.162 68.868 -0.000 0.000 1.090 676 T HN 0.332 nan 8.240 nan 0.000 0.496 677 M N 1.442 121.041 119.600 -0.001 0.000 2.283 677 M HA 0.407 4.942 4.480 0.092 0.000 0.314 677 M C -0.491 175.814 176.300 0.008 0.000 1.153 677 M CA -0.961 54.340 55.300 0.001 0.000 1.084 677 M CB 0.918 33.519 32.600 0.001 0.000 1.468 677 M HN 0.560 nan 8.290 nan 0.000 0.474 678 L N 2.146 123.377 121.223 0.013 0.000 2.270 678 L HA 0.299 4.694 4.340 0.092 0.000 0.286 678 L C -0.274 176.615 176.870 0.032 0.000 1.059 678 L CA 0.162 55.015 54.840 0.022 0.000 0.839 678 L CB 0.137 42.212 42.059 0.025 0.000 1.221 678 L HN 0.550 nan 8.230 nan 0.000 0.431 679 E N 2.654 122.873 120.200 0.032 0.000 2.408 679 E HA 0.046 4.451 4.350 0.092 0.000 0.259 679 E C -0.477 176.157 176.600 0.058 0.000 1.110 679 E CA -0.461 55.960 56.400 0.035 0.000 0.929 679 E CB 0.551 30.266 29.700 0.024 0.000 0.971 679 E HN 0.576 nan 8.360 nan 0.000 0.438 680 D N 0.840 121.271 120.400 0.051 0.000 2.390 680 D HA 0.013 4.708 4.640 0.092 0.000 0.236 680 D C -0.281 176.072 176.300 0.088 0.000 1.189 680 D CA 0.943 54.987 54.000 0.072 0.000 0.887 680 D CB 0.400 41.226 40.800 0.043 0.000 1.198 680 D HN 0.368 nan 8.370 nan 0.000 0.444 681 H N -0.489 118.580 119.070 -0.001 0.000 2.771 681 H HA 0.274 4.885 4.556 0.092 0.000 0.361 681 H C -1.117 174.131 175.328 -0.134 0.000 1.108 681 H CA -0.576 55.403 56.048 -0.115 0.000 1.201 681 H CB 1.312 30.961 29.762 -0.188 0.000 1.681 681 H HN 0.179 nan 8.280 nan 0.000 0.534 682 E N 4.480 124.380 120.200 -0.501 0.000 2.133 682 E HA 0.183 4.588 4.350 0.092 0.000 0.274 682 E C -1.072 175.347 176.600 -0.302 0.000 0.930 682 E CA -0.796 55.466 56.400 -0.230 0.000 0.770 682 E CB 0.831 30.432 29.700 -0.164 0.000 1.104 682 E HN 0.393 nan 8.360 nan 0.000 0.403 683 F N 3.856 123.836 119.950 0.050 0.000 2.350 683 F HA 0.145 4.728 4.527 0.092 0.000 0.365 683 F C 0.513 176.330 175.800 0.029 0.000 1.122 683 F CA -0.844 57.199 58.000 0.071 0.000 1.139 683 F CB 0.636 39.691 39.000 0.092 0.000 1.220 683 F HN 0.137 nan 8.300 nan 0.000 0.499 684 V N 1.555 121.543 119.914 0.123 0.000 2.904 684 V HA 0.581 4.756 4.120 0.092 0.000 0.305 684 V C -2.111 174.037 176.094 0.091 0.000 1.067 684 V CA -2.294 60.053 62.300 0.079 0.000 1.044 684 V CB 0.157 31.994 31.823 0.024 0.000 1.050 684 V HN 0.453 nan 8.190 nan 0.000 0.475 685 P HA 0.402 nan 4.420 nan 0.000 0.264 685 P C -0.946 176.384 177.300 0.050 0.000 1.183 685 P CA 0.173 63.308 63.100 0.058 0.000 0.763 685 P CB 0.307 32.033 31.700 0.044 0.000 0.807 686 L N 2.547 123.799 121.223 0.050 0.000 2.580 686 L HA 0.379 4.774 4.340 0.092 0.000 0.266 686 L C -1.144 175.742 176.870 0.026 0.000 0.955 686 L CA -0.289 54.573 54.840 0.036 0.000 0.886 686 L CB 1.568 43.655 42.059 0.047 0.000 1.263 686 L HN 0.497 nan 8.230 nan 0.000 0.406 687 E N 3.857 124.063 120.200 0.010 0.000 2.272 687 E HA 0.470 4.875 4.350 0.092 0.000 0.269 687 E C -0.248 176.320 176.600 -0.054 0.000 0.877 687 E CA -0.965 55.437 56.400 0.003 0.000 0.755 687 E CB 2.062 31.781 29.700 0.033 0.000 1.192 687 E HN 0.287 nan 8.360 nan 0.000 0.422 688 V N 1.612 121.466 119.914 -0.099 0.000 2.223 688 V HA -0.183 3.992 4.120 0.092 0.000 0.244 688 V C 0.253 176.070 176.094 -0.462 0.000 1.045 688 V CA 1.361 63.478 62.300 -0.305 0.000 1.000 688 V CB -0.793 30.844 31.823 -0.310 0.000 0.635 688 V HN 0.609 nan 8.190 nan 0.000 0.445 689 Y N -0.519 119.800 120.300 0.032 0.000 2.350 689 Y HA 0.475 5.081 4.550 0.094 0.000 0.338 689 Y C 0.613 176.539 175.900 0.043 0.000 0.961 689 Y CA -0.824 57.297 58.100 0.035 0.000 1.100 689 Y CB 1.228 39.705 38.460 0.029 0.000 1.179 689 Y HN -0.054 nan 8.280 nan 0.000 0.454 690 T N 2.482 117.154 114.554 0.197 0.000 2.855 690 T HA 0.004 4.409 4.350 0.092 0.000 0.314 690 T C 1.451 176.244 174.700 0.155 0.000 1.077 690 T CA -0.471 61.730 62.100 0.170 0.000 1.095 690 T CB 0.680 69.661 68.868 0.188 0.000 0.987 690 T HN 0.752 nan 8.240 nan 0.000 0.546 691 R N 0.466 121.029 120.500 0.105 0.000 2.170 691 R HA -0.186 4.209 4.340 0.092 0.000 0.242 691 R C 1.373 177.592 176.300 -0.135 0.000 1.145 691 R CA 1.851 57.923 56.100 -0.046 0.000 0.984 691 R CB -0.218 29.992 30.300 -0.150 0.000 0.869 691 R HN 0.732 nan 8.270 nan 0.000 0.455 692 H N -0.438 118.658 119.070 0.043 0.000 2.525 692 H HA 0.123 4.734 4.556 0.092 0.000 0.275 692 H C 1.229 176.580 175.328 0.038 0.000 0.984 692 H CA 0.884 56.953 56.048 0.034 0.000 1.264 692 H CB 0.277 30.057 29.762 0.031 0.000 1.432 692 H HN 0.380 nan 8.280 nan 0.000 0.549 693 E N 0.378 120.679 120.200 0.169 0.000 2.409 693 E HA -0.090 4.315 4.350 0.092 0.000 0.198 693 E C 1.019 177.645 176.600 0.044 0.000 1.024 693 E CA 0.428 56.904 56.400 0.127 0.000 0.861 693 E CB 0.242 30.066 29.700 0.207 0.000 0.788 693 E HN 0.460 nan 8.360 nan 0.000 0.521 694 I N 1.001 121.584 120.570 0.023 0.000 2.628 694 I HA -0.140 4.085 4.170 0.092 0.000 0.255 694 I C 2.337 178.441 176.117 -0.023 0.000 1.119 694 I CA 0.686 61.967 61.300 -0.030 0.000 1.448 694 I CB -0.907 37.073 38.000 -0.033 0.000 1.133 694 I HN 0.013 nan 8.210 nan 0.000 0.438 695 K N 1.672 122.066 120.400 -0.011 0.000 2.020 695 K HA -0.276 4.099 4.320 0.092 0.000 0.212 695 K C 1.486 178.094 176.600 0.013 0.000 1.050 695 K CA 2.351 58.638 56.287 -0.001 0.000 0.929 695 K CB -0.452 32.052 32.500 0.007 0.000 0.714 695 K HN 0.184 nan 8.250 nan 0.000 0.443 696 D N 0.189 120.607 120.400 0.030 0.000 2.312 696 D HA -0.058 4.637 4.640 0.092 0.000 0.211 696 D C 1.577 177.881 176.300 0.008 0.000 0.964 696 D CA 1.061 55.077 54.000 0.028 0.000 0.877 696 D CB 0.070 40.897 40.800 0.045 0.000 0.924 696 D HN 0.357 nan 8.370 nan 0.000 0.515 697 S N -1.216 114.477 115.700 -0.012 0.000 2.555 697 S HA 0.092 4.617 4.470 0.092 0.000 0.230 697 S C 1.235 175.817 174.600 -0.030 0.000 0.978 697 S CA 0.045 58.223 58.200 -0.037 0.000 0.934 697 S CB -0.207 62.942 63.200 -0.085 0.000 0.766 697 S HN 0.186 nan 8.310 nan 0.000 0.533 698 G N 1.186 109.977 108.800 -0.016 0.000 2.353 698 G HA2 0.516 4.532 3.960 0.092 0.000 0.284 698 G HA3 0.516 4.532 3.960 0.092 0.000 0.284 698 G C 0.395 175.295 174.900 -0.001 0.000 1.172 698 G CA -0.648 44.447 45.100 -0.009 0.000 0.854 698 G HN 0.237 nan 8.290 nan 0.000 0.485 699 L N 3.021 124.242 121.223 -0.004 0.000 1.948 699 L HA 0.176 4.571 4.340 0.092 0.000 0.212 699 L C 1.312 178.188 176.870 0.011 0.000 1.074 699 L CA 1.474 56.315 54.840 0.000 0.000 0.753 699 L CB -0.536 41.520 42.059 -0.006 0.000 0.888 699 L HN 0.435 nan 8.230 nan 0.000 0.432 700 L N 0.539 121.772 121.223 0.016 0.000 2.289 700 L HA 0.243 4.638 4.340 0.092 0.000 0.285 700 L C -0.839 176.061 176.870 0.049 0.000 1.049 700 L CA -0.441 54.418 54.840 0.032 0.000 0.804 700 L CB 1.092 43.173 42.059 0.038 0.000 1.195 700 L HN 0.141 nan 8.230 nan 0.000 0.428 701 D N 1.237 121.671 120.400 0.055 0.000 2.454 701 D HA 0.065 4.760 4.640 0.092 0.000 0.225 701 D C 0.578 176.938 176.300 0.101 0.000 1.081 701 D CA -0.375 53.667 54.000 0.070 0.000 0.864 701 D CB 0.746 41.571 40.800 0.042 0.000 1.040 701 D HN 0.361 nan 8.370 nan 0.000 0.517 702 Y N 2.930 123.232 120.300 0.003 0.000 2.139 702 Y HA -0.302 4.247 4.550 -0.002 0.000 0.282 702 Y C 1.820 177.726 175.900 0.009 0.000 1.179 702 Y CA 2.228 60.331 58.100 0.005 0.000 1.161 702 Y CB -0.514 37.950 38.460 0.007 0.000 0.970 702 Y HN 0.374 nan 8.280 nan 0.000 0.511 703 T N -0.435 114.072 114.554 -0.078 0.000 2.777 703 T HA -0.149 4.256 4.350 0.092 0.000 0.266 703 T C 1.643 176.267 174.700 -0.126 0.000 1.040 703 T CA 1.555 63.558 62.100 -0.161 0.000 1.141 703 T CB -0.199 68.643 68.868 -0.042 0.000 0.868 703 T HN 0.209 nan 8.240 nan 0.000 0.444 704 E N 0.543 120.709 120.200 -0.056 0.000 2.107 704 E HA -0.028 4.377 4.350 0.092 0.000 0.191 704 E C 2.213 178.788 176.600 -0.041 0.000 0.982 704 E CA 0.436 56.816 56.400 -0.033 0.000 0.809 704 E CB -0.403 29.295 29.700 -0.002 0.000 0.756 704 E HN 0.219 nan 8.360 nan 0.000 0.459 705 V N 0.817 120.704 119.914 -0.044 0.000 2.270 705 V HA -0.259 3.916 4.120 0.092 0.000 0.245 705 V C 2.324 178.378 176.094 -0.068 0.000 1.043 705 V CA 1.685 63.966 62.300 -0.032 0.000 1.014 705 V CB -0.543 31.281 31.823 0.002 0.000 0.645 705 V HN 0.286 nan 8.190 nan 0.000 0.447 706 Q N -0.220 119.481 119.800 -0.165 0.000 2.112 706 Q HA -0.234 4.161 4.340 0.092 0.000 0.206 706 Q C 2.423 178.357 176.000 -0.109 0.000 0.987 706 Q CA 1.552 57.242 55.803 -0.188 0.000 0.858 706 Q CB -0.592 27.909 28.738 -0.396 0.000 0.905 706 Q HN 0.444 nan 8.270 nan 0.000 0.420 707 R N 0.983 121.423 120.500 -0.101 0.000 2.097 707 R HA -0.145 4.251 4.340 0.092 0.000 0.236 707 R C 2.219 178.505 176.300 -0.022 0.000 1.135 707 R CA 1.726 57.792 56.100 -0.056 0.000 0.934 707 R CB -0.423 29.849 30.300 -0.047 0.000 0.846 707 R HN 0.224 nan 8.270 nan 0.000 0.431 708 R N 0.203 120.698 120.500 -0.009 0.000 2.070 708 R HA -0.124 4.271 4.340 0.092 0.000 0.232 708 R C 1.873 178.203 176.300 0.050 0.000 1.138 708 R CA 1.982 58.095 56.100 0.023 0.000 0.936 708 R CB -0.403 29.916 30.300 0.032 0.000 0.839 708 R HN 0.225 nan 8.270 nan 0.000 0.429 709 N N 1.100 119.825 118.700 0.040 0.000 2.192 709 N HA -0.184 4.611 4.740 0.092 0.000 0.188 709 N C 1.124 176.679 175.510 0.076 0.000 1.013 709 N CA 1.314 54.400 53.050 0.059 0.000 0.863 709 N CB -0.153 38.342 38.487 0.013 0.000 0.990 709 N HN 0.453 nan 8.380 nan 0.000 0.430 710 Q N -0.370 119.455 119.800 0.041 0.000 2.322 710 Q HA 0.170 4.565 4.340 0.092 0.000 0.203 710 Q C 0.735 176.770 176.000 0.057 0.000 0.923 710 Q CA 0.104 55.932 55.803 0.043 0.000 0.949 710 Q CB 0.248 28.990 28.738 0.007 0.000 1.039 710 Q HN 0.396 nan 8.270 nan 0.000 0.496 711 L N -1.574 119.696 121.223 0.078 0.000 2.693 711 L HA 0.097 4.492 4.340 0.092 0.000 0.235 711 L C 1.652 178.577 176.870 0.091 0.000 1.127 711 L CA -0.035 54.836 54.840 0.052 0.000 0.914 711 L CB 0.050 42.119 42.059 0.016 0.000 1.193 711 L HN 0.235 nan 8.230 nan 0.000 0.502 712 H N 1.078 120.203 119.070 0.091 0.000 2.289 712 H HA -0.221 4.396 4.556 0.102 0.000 0.296 712 H C 1.706 177.156 175.328 0.203 0.000 1.091 712 H CA 2.404 58.578 56.048 0.209 0.000 1.274 712 H CB 0.305 30.167 29.762 0.166 0.000 1.364 712 H HN 0.251 nan 8.280 nan 0.000 0.490 713 D N -0.002 120.509 120.400 0.185 0.000 2.123 713 D HA -0.110 4.585 4.640 0.092 0.000 0.200 713 D C 2.300 178.604 176.300 0.007 0.000 0.976 713 D CA 0.920 54.981 54.000 0.102 0.000 0.831 713 D CB -0.203 40.659 40.800 0.105 0.000 0.974 713 D HN 0.410 nan 8.370 nan 0.000 0.469 714 L N 0.327 121.540 121.223 -0.016 0.000 2.362 714 L HA -0.072 4.323 4.340 0.092 0.000 0.219 714 L C 2.322 179.101 176.870 -0.152 0.000 1.134 714 L CA 0.818 55.620 54.840 -0.062 0.000 0.807 714 L CB -0.053 41.977 42.059 -0.047 0.000 0.927 714 L HN -0.070 nan 8.230 nan 0.000 0.447 715 R N -1.579 118.763 120.500 -0.262 0.000 2.221 715 R HA 0.137 4.532 4.340 0.092 0.000 0.195 715 R C 1.044 176.877 176.300 -0.779 0.000 0.956 715 R CA 0.513 56.261 56.100 -0.586 0.000 1.064 715 R CB 0.286 30.076 30.300 -0.850 0.000 1.049 715 R HN 0.193 nan 8.270 nan 0.000 0.534 716 F N -0.370 119.474 119.950 -0.177 0.000 2.729 716 F HA 0.485 5.065 4.527 0.088 0.000 0.315 716 F C 0.310 176.048 175.800 -0.102 0.000 1.102 716 F CA -0.596 57.301 58.000 -0.173 0.000 1.204 716 F CB 1.257 40.069 39.000 -0.313 0.000 1.052 716 F HN -0.095 nan 8.300 nan 0.000 0.551 717 A N -0.427 122.418 122.820 0.041 0.000 2.569 717 A HA 0.580 4.955 4.320 0.092 0.000 0.290 717 A C -1.670 175.922 177.584 0.014 0.000 1.136 717 A CA -0.532 51.533 52.037 0.045 0.000 0.710 717 A CB 1.302 20.345 19.000 0.072 0.000 1.303 717 A HN -0.063 nan 8.150 nan 0.000 0.413 718 D N 1.539 121.950 120.400 0.019 0.000 2.477 718 D HA 0.248 4.943 4.640 0.092 0.000 0.239 718 D C 1.046 177.356 176.300 0.016 0.000 1.102 718 D CA -0.365 53.641 54.000 0.009 0.000 0.901 718 D CB 0.498 41.303 40.800 0.007 0.000 1.026 718 D HN 0.533 nan 8.370 nan 0.000 0.515 719 I N -0.024 120.555 120.570 0.014 0.000 3.241 719 I HA -0.032 4.194 4.170 0.092 0.000 0.280 719 I C 0.133 176.260 176.117 0.016 0.000 1.320 719 I CA 0.686 61.998 61.300 0.019 0.000 1.413 719 I CB 0.294 38.304 38.000 0.018 0.000 1.060 719 I HN -0.003 nan 8.210 nan 0.000 0.500 720 D N 0.858 121.265 120.400 0.012 0.000 2.943 720 D HA 0.052 4.747 4.640 0.092 0.000 0.282 720 D C 0.757 177.067 176.300 0.017 0.000 1.148 720 D CA 0.544 54.551 54.000 0.013 0.000 1.006 720 D CB -0.476 40.329 40.800 0.007 0.000 1.168 720 D HN 0.173 nan 8.370 nan 0.000 0.450 721 T N 2.172 116.735 114.554 0.015 0.000 2.891 721 T HA 0.146 4.551 4.350 0.092 0.000 0.296 721 T C 0.317 175.033 174.700 0.028 0.000 1.025 721 T CA 0.217 62.328 62.100 0.018 0.000 1.149 721 T CB 0.658 69.531 68.868 0.010 0.000 1.007 721 T HN -0.212 nan 8.240 nan 0.000 0.528 722 V N 5.148 125.088 119.914 0.043 0.000 2.769 722 V HA 0.569 4.745 4.120 0.092 0.000 0.312 722 V C -0.034 176.103 176.094 0.072 0.000 1.058 722 V CA -0.971 61.371 62.300 0.069 0.000 0.952 722 V CB 1.868 33.750 31.823 0.098 0.000 1.019 722 V HN 0.661 nan 8.190 nan 0.000 0.445 723 I N 4.044 124.660 120.570 0.077 0.000 2.689 723 I HA 0.679 4.905 4.170 0.092 0.000 0.299 723 I C -0.330 175.840 176.117 0.089 0.000 1.059 723 I CA -0.258 61.045 61.300 0.006 0.000 1.055 723 I CB 1.971 39.962 38.000 -0.016 0.000 1.243 723 I HN 0.970 nan 8.210 nan 0.000 0.425 724 H N 0.000 119.070 119.070 -0.001 0.000 2.539 724 H HA 0.000 4.611 4.556 0.091 0.000 0.296 724 H CA 0.000 56.047 56.048 -0.001 0.000 1.023 724 H CB 0.000 29.762 29.762 -0.001 0.000 1.292 724 H HN 0.000 nan 8.280 nan 0.000 0.496