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 3nwd_1_A 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 RKPPXXXXXX 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 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 0.000 176.084 176.117 -0.055 0.000 1.063 104 I CA 0.000 61.245 61.300 -0.091 0.000 1.566 104 I CB 0.000 37.870 38.000 -0.217 0.000 1.214 105 K N 1.935 122.346 120.400 0.018 0.000 2.400 105 K HA 0.690 5.010 4.320 0.000 0.000 0.253 105 K C 0.826 177.549 176.600 0.205 0.000 1.076 105 K CA 0.030 56.369 56.287 0.088 0.000 0.887 105 K CB 0.450 32.984 32.500 0.057 0.000 1.168 105 K HN 0.574 nan 8.250 nan 0.000 0.505 106 A N 0.694 123.656 122.820 0.236 0.000 2.322 106 A HA 0.043 4.363 4.320 0.000 0.000 0.269 106 A C 0.927 178.595 177.584 0.141 0.000 1.094 106 A CA -0.144 52.034 52.037 0.234 0.000 0.807 106 A CB 0.723 19.607 19.000 -0.194 0.000 1.047 106 A HN 0.881 nan 8.150 nan 0.000 0.487 107 E N 1.089 121.385 120.200 0.161 0.000 2.057 107 E HA -0.044 4.306 4.350 0.000 0.000 0.191 107 E C -0.239 176.398 176.600 0.062 0.000 0.959 107 E CA 0.216 56.690 56.400 0.123 0.000 0.828 107 E CB -0.068 29.733 29.700 0.169 0.000 0.800 107 E HN 0.817 nan 8.360 nan 0.000 0.460 108 N N 0.992 119.717 118.700 0.042 0.000 2.416 108 N HA -0.008 4.732 4.740 0.000 0.000 0.271 108 N C -0.835 174.647 175.510 -0.048 0.000 1.245 108 N CA 0.313 53.361 53.050 -0.005 0.000 0.940 108 N CB 1.106 39.581 38.487 -0.019 0.000 1.175 108 N HN -0.028 nan 8.380 nan 0.000 0.483 109 T N 0.900 115.438 114.554 -0.026 0.000 3.327 109 T HA 0.179 4.529 4.350 0.000 0.000 0.244 109 T C -0.655 174.023 174.700 -0.036 0.000 1.074 109 T CA -0.563 61.520 62.100 -0.027 0.000 1.156 109 T CB -0.244 68.626 68.868 0.003 0.000 1.087 109 T HN 0.303 nan 8.240 nan 0.000 0.575 110 D N 1.542 121.904 120.400 -0.063 0.000 2.696 110 D HA 0.505 5.145 4.640 0.000 0.000 0.269 110 D C 0.262 176.508 176.300 -0.089 0.000 1.319 110 D CA -0.050 53.915 54.000 -0.058 0.000 0.826 110 D CB 1.075 41.849 40.800 -0.043 0.000 1.086 110 D HN 0.578 nan 8.370 nan 0.000 0.481 111 A N 0.082 122.820 122.820 -0.136 0.000 2.533 111 A HA 0.699 5.019 4.320 0.000 0.000 0.293 111 A C -0.821 176.621 177.584 -0.236 0.000 1.228 111 A CA -0.714 51.207 52.037 -0.193 0.000 0.689 111 A CB 1.557 20.387 19.000 -0.282 0.000 1.303 111 A HN -0.038 nan 8.150 nan 0.000 0.444 112 N N -1.125 117.413 118.700 -0.270 0.000 2.457 112 N HA 0.801 5.541 4.740 0.000 0.000 0.290 112 N C -1.635 173.586 175.510 -0.482 0.000 1.232 112 N CA -0.083 52.818 53.050 -0.249 0.000 0.852 112 N CB 1.067 39.498 38.487 -0.093 0.000 1.313 112 N HN 0.462 nan 8.380 nan 0.000 0.522 113 F N 0.003 119.845 119.950 -0.179 0.000 2.577 113 F HA 0.507 5.034 4.527 0.000 0.000 0.318 113 F C -0.759 174.856 175.800 -0.309 0.000 1.065 113 F CA -0.587 57.333 58.000 -0.133 0.000 0.929 113 F CB 1.487 40.376 39.000 -0.185 0.000 1.237 113 F HN 0.256 nan 8.300 nan 0.000 0.468 114 Y N 0.525 120.876 120.300 0.086 0.000 2.457 114 Y HA 0.593 5.143 4.550 0.000 0.000 0.343 114 Y C -0.861 175.036 175.900 -0.005 0.000 0.994 114 Y CA -1.181 56.937 58.100 0.031 0.000 1.031 114 Y CB 2.090 40.565 38.460 0.025 0.000 1.246 114 Y HN 0.191 nan 8.280 nan 0.000 0.449 115 V N 2.721 122.721 119.914 0.143 0.000 2.370 115 V HA 0.225 4.345 4.120 0.000 0.000 0.279 115 V C -0.578 175.616 176.094 0.166 0.000 1.029 115 V CA -0.691 61.683 62.300 0.123 0.000 0.870 115 V CB 0.902 32.846 31.823 0.201 0.000 0.984 115 V HN 0.899 nan 8.190 nan 0.000 0.451 116 c N 8.296 126.975 118.600 0.132 0.000 2.146 116 c HA 0.385 4.955 4.570 0.000 0.000 0.338 116 c C -1.656 172.492 174.090 0.097 0.000 1.074 116 c CA -1.357 55.038 56.329 0.110 0.000 1.527 116 c CB -0.408 42.153 42.510 0.085 0.000 1.915 116 c HN 0.671 nan 8.230 nan 0.000 0.453 117 P HA 0.211 nan 4.420 nan 0.000 0.272 117 P C -2.550 174.785 177.300 0.058 0.000 1.223 117 P CA -1.207 61.941 63.100 0.080 0.000 0.784 117 P CB 0.040 31.783 31.700 0.072 0.000 0.923 118 P HA 0.150 nan 4.420 nan 0.000 0.265 118 P C -2.532 174.784 177.300 0.028 0.000 1.193 118 P CA -1.266 61.856 63.100 0.037 0.000 0.765 118 P CB -0.984 30.736 31.700 0.033 0.000 0.823 119 P HA 0.157 nan 4.420 nan 0.000 0.287 119 P C 0.143 177.448 177.300 0.008 0.000 1.307 119 P CA 0.035 63.142 63.100 0.013 0.000 0.777 119 P CB 0.266 31.971 31.700 0.007 0.000 0.883 120 T N -0.871 113.687 114.554 0.007 0.000 2.897 120 T HA 0.402 4.752 4.350 0.000 0.000 0.278 120 T C 1.619 176.319 174.700 -0.000 0.000 0.981 120 T CA -0.419 61.683 62.100 0.004 0.000 0.973 120 T CB 0.810 69.681 68.868 0.006 0.000 1.092 120 T HN 0.293 nan 8.240 nan 0.000 0.543 121 G N -0.537 108.262 108.800 -0.002 0.000 2.653 121 G HA2 0.116 4.076 3.960 0.000 0.000 0.212 121 G HA3 0.116 4.076 3.960 0.000 0.000 0.212 121 G C 1.553 176.451 174.900 -0.004 0.000 1.138 121 G CA 0.520 45.618 45.100 -0.005 0.000 0.782 121 G HN 1.075 nan 8.290 nan 0.000 0.535 122 A N 0.233 123.052 122.820 -0.002 0.000 1.927 122 A HA 0.045 4.365 4.320 0.000 0.000 0.220 122 A C 1.643 179.225 177.584 -0.003 0.000 1.185 122 A CA 2.004 54.040 52.037 -0.001 0.000 0.639 122 A CB -0.517 18.483 19.000 0.001 0.000 0.820 122 A HN 0.742 nan 8.150 nan 0.000 0.451 123 T N -2.206 112.345 114.554 -0.004 0.000 3.031 123 T HA 0.559 4.909 4.350 0.000 0.000 0.305 123 T C -0.785 173.906 174.700 -0.014 0.000 0.985 123 T CA -0.112 61.984 62.100 -0.007 0.000 1.008 123 T CB 0.944 69.810 68.868 -0.004 0.000 1.005 123 T HN 1.087 nan 8.240 nan 0.000 0.444 124 V N 0.880 120.783 119.914 -0.018 0.000 2.823 124 V HA 1.002 5.122 4.120 0.000 0.000 0.312 124 V C -0.033 176.041 176.094 -0.034 0.000 1.072 124 V CA -0.942 61.340 62.300 -0.030 0.000 0.937 124 V CB 1.251 33.057 31.823 -0.029 0.000 1.013 124 V HN 1.183 nan 8.190 nan 0.000 0.430 125 V N 1.508 121.390 119.914 -0.053 0.000 3.164 125 V HA 0.888 5.008 4.120 0.000 0.000 0.313 125 V C -0.833 175.214 176.094 -0.077 0.000 1.188 125 V CA -0.563 61.706 62.300 -0.053 0.000 1.058 125 V CB 1.801 33.593 31.823 -0.051 0.000 1.110 125 V HN 1.406 nan 8.190 nan 0.000 0.453 126 Q N 0.079 119.848 119.800 -0.051 0.000 2.379 126 Q HA 0.547 4.887 4.340 0.000 0.000 0.278 126 Q C -1.635 174.403 176.000 0.063 0.000 1.068 126 Q CA -0.730 55.050 55.803 -0.039 0.000 0.816 126 Q CB 2.427 31.165 28.738 0.000 0.000 1.387 126 Q HN 0.727 nan 8.270 nan 0.000 0.413 127 F N 1.686 121.625 119.950 -0.020 0.000 2.504 127 F HA 0.085 4.612 4.527 0.000 0.000 0.369 127 F C 1.149 176.930 175.800 -0.033 0.000 1.082 127 F CA -0.482 57.498 58.000 -0.034 0.000 1.216 127 F CB 0.908 39.895 39.000 -0.022 0.000 1.108 127 F HN 0.700 nan 8.300 nan 0.000 0.554 128 E N 3.465 123.754 120.200 0.149 0.000 2.436 128 E HA -0.063 4.287 4.350 0.000 0.000 0.262 128 E C -0.512 176.100 176.600 0.020 0.000 1.063 128 E CA -0.574 55.853 56.400 0.045 0.000 0.944 128 E CB 0.688 30.384 29.700 -0.007 0.000 0.950 128 E HN 0.466 nan 8.360 nan 0.000 0.444 129 Q N 2.652 122.460 119.800 0.014 0.000 2.205 129 Q HA 0.370 4.710 4.340 0.000 0.000 0.249 129 Q C -2.163 173.826 176.000 -0.018 0.000 0.948 129 Q CA -2.192 53.613 55.803 0.003 0.000 0.895 129 Q CB 0.347 29.092 28.738 0.011 0.000 1.249 129 Q HN 0.468 nan 8.270 nan 0.000 0.458 130 P HA -0.064 nan 4.420 nan 0.000 0.266 130 P C -0.457 176.835 177.300 -0.013 0.000 1.180 130 P CA 0.627 63.711 63.100 -0.026 0.000 0.765 130 P CB 0.499 32.182 31.700 -0.028 0.000 0.806 131 R N 2.034 122.529 120.500 -0.009 0.000 2.536 131 R HA 0.384 4.724 4.340 0.000 0.000 0.279 131 R C 0.322 176.628 176.300 0.010 0.000 1.001 131 R CA -0.858 55.243 56.100 0.002 0.000 1.027 131 R CB 0.967 31.270 30.300 0.005 0.000 1.096 131 R HN 0.365 nan 8.270 nan 0.000 0.502 132 R N 1.258 121.765 120.500 0.012 0.000 2.609 132 R HA 0.113 4.453 4.340 0.000 0.000 0.271 132 R C -0.243 176.070 176.300 0.021 0.000 1.403 132 R CA -0.252 55.856 56.100 0.015 0.000 1.138 132 R CB -0.371 29.936 30.300 0.011 0.000 1.142 132 R HN 0.472 nan 8.270 nan 0.000 0.559 133 c N 3.805 122.421 118.600 0.026 0.000 2.665 133 c HA 0.058 4.628 4.570 0.000 0.000 0.416 133 c C -0.925 173.182 174.090 0.027 0.000 1.305 133 c CA -0.948 55.401 56.329 0.033 0.000 1.903 133 c CB -0.289 42.244 42.510 0.038 0.000 2.704 133 c HN 0.594 nan 8.230 nan 0.000 0.629 134 P HA 0.212 nan 4.420 nan 0.000 0.281 134 P C -0.461 176.848 177.300 0.015 0.000 1.274 134 P CA 0.181 63.293 63.100 0.020 0.000 0.794 134 P CB 0.217 31.929 31.700 0.020 0.000 1.201 135 T N -3.301 111.258 114.554 0.009 0.000 2.921 135 T HA 0.417 4.767 4.350 0.000 0.000 0.297 135 T C -0.430 174.270 174.700 0.001 0.000 1.013 135 T CA -1.084 61.020 62.100 0.006 0.000 0.990 135 T CB 1.233 70.103 68.868 0.004 0.000 1.023 135 T HN 0.345 nan 8.240 nan 0.000 0.447 136 R N 2.662 123.162 120.500 -0.001 0.000 2.484 136 R HA 0.258 4.598 4.340 0.000 0.000 0.293 136 R C -2.085 174.211 176.300 -0.007 0.000 1.023 136 R CA -0.979 55.117 56.100 -0.006 0.000 1.037 136 R CB -0.314 29.982 30.300 -0.008 0.000 0.951 136 R HN 0.459 nan 8.270 nan 0.000 0.418 137 P HA -0.073 nan 4.420 nan 0.000 0.266 137 P C 0.109 177.405 177.300 -0.008 0.000 1.186 137 P CA 0.017 63.113 63.100 -0.008 0.000 0.767 137 P CB 0.565 32.259 31.700 -0.009 0.000 0.820 138 E N 1.523 121.718 120.200 -0.008 0.000 2.273 138 E HA -0.098 4.252 4.350 0.000 0.000 0.198 138 E C 0.913 177.506 176.600 -0.011 0.000 1.002 138 E CA 1.515 57.909 56.400 -0.009 0.000 0.828 138 E CB -0.564 29.129 29.700 -0.012 0.000 0.747 138 E HN 0.815 nan 8.360 nan 0.000 0.491 139 G N 2.256 111.047 108.800 -0.015 0.000 3.402 139 G HA2 -0.211 3.749 3.960 0.000 0.000 0.686 139 G HA3 -0.211 3.749 3.960 0.000 0.000 0.686 139 G C -0.352 174.517 174.900 -0.050 0.000 0.983 139 G CA 0.028 45.117 45.100 -0.019 0.000 0.821 139 G HN 0.181 nan 8.290 nan 0.000 0.500 140 Q N 1.122 120.865 119.800 -0.095 0.000 2.326 140 Q HA 0.184 4.524 4.340 0.000 0.000 0.314 140 Q C 0.506 176.321 176.000 -0.310 0.000 1.091 140 Q CA 0.657 56.322 55.803 -0.230 0.000 0.974 140 Q CB 0.363 28.874 28.738 -0.379 0.000 1.220 140 Q HN 0.620 nan 8.270 nan 0.000 0.398 141 N N 4.385 122.908 118.700 -0.294 0.000 2.444 141 N HA 0.207 4.947 4.740 0.000 0.000 0.262 141 N C -1.014 174.351 175.510 -0.242 0.000 0.974 141 N CA -0.188 52.753 53.050 -0.182 0.000 0.933 141 N CB 0.645 39.093 38.487 -0.064 0.000 1.137 141 N HN 0.489 nan 8.380 nan 0.000 0.498 142 Y N 0.468 120.785 120.300 0.029 0.000 2.496 142 Y HA 0.425 4.975 4.550 0.000 0.000 0.325 142 Y C 0.996 176.924 175.900 0.047 0.000 1.271 142 Y CA -0.295 57.823 58.100 0.029 0.000 1.368 142 Y CB 1.281 39.756 38.460 0.024 0.000 1.415 142 Y HN 0.231 nan 8.280 nan 0.000 0.527 143 T N 0.574 115.278 114.554 0.251 0.000 2.916 143 T HA 0.301 4.651 4.350 0.000 0.000 0.298 143 T C -1.159 173.656 174.700 0.193 0.000 1.031 143 T CA -1.102 61.109 62.100 0.185 0.000 0.993 143 T CB 1.308 70.275 68.868 0.166 0.000 1.045 143 T HN 0.409 nan 8.240 nan 0.000 0.454 144 E N 0.826 121.094 120.200 0.114 0.000 2.277 144 E HA 0.676 5.026 4.350 0.000 0.000 0.274 144 E C 0.139 176.688 176.600 -0.085 0.000 1.022 144 E CA -0.906 55.495 56.400 0.002 0.000 0.853 144 E CB 1.608 31.220 29.700 -0.148 0.000 1.086 144 E HN 0.862 nan 8.360 nan 0.000 0.397 145 G N 1.162 109.853 108.800 -0.180 0.000 2.355 145 G HA2 0.294 4.254 3.960 0.000 0.000 0.296 145 G HA3 0.294 4.254 3.960 0.000 0.000 0.296 145 G C -1.279 173.440 174.900 -0.300 0.000 1.507 145 G CA -0.974 43.837 45.100 -0.482 0.000 0.823 145 G HN 0.373 nan 8.290 nan 0.000 0.569 146 I N 0.977 121.353 120.570 -0.323 0.000 2.396 146 I HA 0.596 4.766 4.170 0.000 0.000 0.292 146 I C 0.717 176.838 176.117 0.006 0.000 0.999 146 I CA -0.513 60.745 61.300 -0.071 0.000 1.310 146 I CB 1.650 39.649 38.000 -0.002 0.000 1.404 146 I HN 0.731 nan 8.210 nan 0.000 0.496 147 A N 6.035 128.946 122.820 0.151 0.000 2.384 147 A HA 0.891 5.211 4.320 0.000 0.000 0.312 147 A C -1.037 176.584 177.584 0.062 0.000 1.113 147 A CA -0.532 51.622 52.037 0.195 0.000 0.779 147 A CB 1.865 21.040 19.000 0.293 0.000 1.307 147 A HN 0.426 nan 8.150 nan 0.000 0.436 148 V N 1.427 121.357 119.914 0.027 0.000 2.623 148 V HA 0.423 4.543 4.120 0.000 0.000 0.304 148 V C -0.642 175.367 176.094 -0.141 0.000 1.054 148 V CA -0.551 61.699 62.300 -0.083 0.000 0.882 148 V CB 1.611 33.388 31.823 -0.077 0.000 1.002 148 V HN 0.702 nan 8.190 nan 0.000 0.424 149 V N 5.028 124.826 119.914 -0.195 0.000 2.427 149 V HA 0.550 4.670 4.120 0.000 0.000 0.286 149 V C -0.598 175.415 176.094 -0.135 0.000 1.034 149 V CA -0.381 61.872 62.300 -0.078 0.000 0.893 149 V CB 1.359 33.230 31.823 0.081 0.000 0.982 149 V HN 0.655 nan 8.190 nan 0.000 0.452 150 F N 3.921 123.955 119.950 0.139 0.000 2.469 150 F HA 0.625 5.152 4.527 0.000 0.000 0.332 150 F C 0.370 176.195 175.800 0.041 0.000 1.103 150 F CA -0.675 57.392 58.000 0.112 0.000 0.979 150 F CB 1.829 40.859 39.000 0.050 0.000 1.137 150 F HN 0.454 nan 8.300 nan 0.000 0.463 151 K N 1.671 122.168 120.400 0.162 0.000 2.267 151 K HA 0.429 4.749 4.320 0.000 0.000 0.246 151 K C -0.540 176.016 176.600 -0.074 0.000 0.954 151 K CA -0.970 55.260 56.287 -0.095 0.000 0.824 151 K CB 2.166 34.524 32.500 -0.238 0.000 1.167 151 K HN 0.665 nan 8.250 nan 0.000 0.431 152 E N 1.548 121.643 120.200 -0.174 0.000 2.508 152 E HA -0.178 4.172 4.350 0.000 0.000 0.266 152 E C -0.742 175.816 176.600 -0.069 0.000 1.010 152 E CA 0.018 56.340 56.400 -0.130 0.000 0.955 152 E CB 0.471 30.069 29.700 -0.170 0.000 0.946 152 E HN 0.570 nan 8.360 nan 0.000 0.454 153 N N 3.754 122.429 118.700 -0.041 0.000 2.419 153 N HA 0.088 4.828 4.740 0.000 0.000 0.264 153 N C 0.386 175.897 175.510 0.002 0.000 1.031 153 N CA -0.130 52.927 53.050 0.011 0.000 0.951 153 N CB 0.611 39.130 38.487 0.055 0.000 1.101 153 N HN 0.590 nan 8.380 nan 0.000 0.488 154 I N 0.663 121.244 120.570 0.017 0.000 4.187 154 I HA 0.520 4.690 4.170 0.000 0.000 0.326 154 I C 0.447 176.596 176.117 0.053 0.000 1.302 154 I CA -0.486 60.823 61.300 0.016 0.000 1.196 154 I CB 0.253 38.251 38.000 -0.004 0.000 1.095 154 I HN 0.349 nan 8.210 nan 0.000 0.411 155 A N 3.594 126.460 122.820 0.077 0.000 2.491 155 A HA 0.498 4.818 4.320 0.000 0.000 0.261 155 A C -2.297 175.380 177.584 0.155 0.000 1.101 155 A CA -0.890 51.205 52.037 0.097 0.000 0.772 155 A CB -0.833 18.225 19.000 0.098 0.000 1.043 155 A HN 0.198 nan 8.150 nan 0.000 0.501 156 P HA 0.071 nan 4.420 nan 0.000 0.272 156 P C -0.647 176.829 177.300 0.293 0.000 1.230 156 P CA -0.004 63.229 63.100 0.223 0.000 0.788 156 P CB 0.237 32.012 31.700 0.125 0.000 0.949 157 Y N 2.097 122.573 120.300 0.293 0.000 2.480 157 Y HA 0.231 4.781 4.550 0.000 0.000 0.341 157 Y C 0.091 176.084 175.900 0.155 0.000 1.031 157 Y CA 0.077 58.294 58.100 0.195 0.000 1.295 157 Y CB 0.126 38.658 38.460 0.120 0.000 1.162 157 Y HN 0.174 nan 8.280 nan 0.000 0.523 158 K N 7.212 127.410 120.400 -0.337 0.000 2.207 158 K HA 0.578 4.898 4.320 0.000 0.000 0.255 158 K C -1.324 175.003 176.600 -0.455 0.000 0.941 158 K CA -0.582 55.483 56.287 -0.370 0.000 0.825 158 K CB 1.538 33.920 32.500 -0.197 0.000 1.119 158 K HN 0.626 nan 8.250 nan 0.000 0.430 159 F N -1.315 118.328 119.950 -0.513 0.000 2.985 159 F HA 0.540 5.067 4.527 0.000 0.000 0.322 159 F C -1.470 174.193 175.800 -0.229 0.000 1.187 159 F CA -1.379 56.386 58.000 -0.392 0.000 0.910 159 F CB 1.014 39.721 39.000 -0.488 0.000 1.411 159 F HN -0.025 nan 8.300 nan 0.000 0.492 160 K N 1.421 121.871 120.400 0.083 0.000 2.206 160 K HA 0.813 5.133 4.320 0.000 0.000 0.264 160 K C -0.898 175.813 176.600 0.184 0.000 0.967 160 K CA -0.592 55.708 56.287 0.021 0.000 0.844 160 K CB 1.783 34.332 32.500 0.081 0.000 1.099 160 K HN 0.953 nan 8.250 nan 0.000 0.441 161 A N 1.718 124.562 122.820 0.040 0.000 2.485 161 A HA 0.786 5.106 4.320 0.000 0.000 0.292 161 A C -0.937 176.732 177.584 0.141 0.000 1.147 161 A CA -0.603 51.551 52.037 0.195 0.000 0.750 161 A CB 1.637 20.706 19.000 0.116 0.000 1.331 161 A HN 0.510 nan 8.150 nan 0.000 0.419 162 T N 1.622 116.310 114.554 0.223 0.000 2.881 162 T HA 0.516 4.866 4.350 0.000 0.000 0.291 162 T C -0.358 174.328 174.700 -0.024 0.000 0.990 162 T CA -0.196 61.946 62.100 0.070 0.000 0.976 162 T CB 0.883 69.830 68.868 0.133 0.000 0.970 162 T HN 0.557 nan 8.240 nan 0.000 0.438 163 M N 3.095 122.576 119.600 -0.198 0.000 2.277 163 M HA 0.478 4.958 4.480 0.000 0.000 0.350 163 M C -1.298 174.806 176.300 -0.328 0.000 1.180 163 M CA -0.441 54.798 55.300 -0.100 0.000 1.103 163 M CB 0.853 33.420 32.600 -0.056 0.000 1.577 163 M HN 0.604 nan 8.290 nan 0.000 0.459 164 Y N 2.866 123.318 120.300 0.253 0.000 2.331 164 Y HA 0.525 5.075 4.550 0.000 0.000 0.326 164 Y C -0.882 175.177 175.900 0.265 0.000 1.020 164 Y CA -0.964 57.232 58.100 0.160 0.000 1.136 164 Y CB 0.970 39.501 38.460 0.119 0.000 1.157 164 Y HN 0.628 nan 8.280 nan 0.000 0.444 165 Y N -0.547 119.842 120.300 0.149 0.000 2.713 165 Y HA 0.779 5.329 4.550 0.000 0.000 0.335 165 Y C -1.827 174.095 175.900 0.036 0.000 1.222 165 Y CA -1.867 56.285 58.100 0.086 0.000 1.061 165 Y CB 1.483 39.998 38.460 0.091 0.000 1.314 165 Y HN 0.301 nan 8.280 nan 0.000 0.453 166 K N 0.602 121.081 120.400 0.133 0.000 2.395 166 K HA 0.406 4.726 4.320 0.000 0.000 0.247 166 K C -1.834 174.825 176.600 0.098 0.000 0.973 166 K CA -1.135 55.178 56.287 0.042 0.000 0.828 166 K CB 1.866 34.374 32.500 0.013 0.000 1.272 166 K HN 0.590 nan 8.250 nan 0.000 0.439 167 D N 1.960 122.400 120.400 0.067 0.000 2.443 167 D HA 0.133 4.773 4.640 0.000 0.000 0.221 167 D C -0.623 175.693 176.300 0.027 0.000 1.097 167 D CA -0.301 53.731 54.000 0.053 0.000 0.865 167 D CB 1.401 42.234 40.800 0.056 0.000 1.034 167 D HN 0.071 nan 8.370 nan 0.000 0.511 168 V N 3.237 123.145 119.914 -0.011 0.000 2.338 168 V HA 0.143 4.263 4.120 0.000 0.000 0.255 168 V C 0.540 176.582 176.094 -0.086 0.000 1.082 168 V CA 0.098 62.406 62.300 0.012 0.000 0.951 168 V CB 0.312 32.187 31.823 0.086 0.000 1.102 168 V HN 0.375 nan 8.190 nan 0.000 0.489 169 T N 4.566 119.112 114.554 -0.013 0.000 2.791 169 T HA 0.480 4.830 4.350 0.000 0.000 0.288 169 T C -0.471 174.272 174.700 0.070 0.000 0.999 169 T CA -0.293 61.782 62.100 -0.041 0.000 0.952 169 T CB 1.660 70.524 68.868 -0.007 0.000 0.938 169 T HN 0.424 nan 8.240 nan 0.000 0.444 170 V N 4.310 124.273 119.914 0.082 0.000 2.487 170 V HA 0.807 4.927 4.120 0.000 0.000 0.298 170 V C -0.470 175.776 176.094 0.254 0.000 1.028 170 V CA -0.542 61.882 62.300 0.207 0.000 0.860 170 V CB 1.614 33.577 31.823 0.233 0.000 0.991 170 V HN 0.954 nan 8.190 nan 0.000 0.427 171 S N 5.002 120.876 115.700 0.290 0.000 2.473 171 S HA 0.537 5.007 4.470 0.000 0.000 0.307 171 S C -0.579 174.216 174.600 0.325 0.000 1.094 171 S CA -0.636 57.768 58.200 0.340 0.000 1.070 171 S CB 1.665 65.134 63.200 0.450 0.000 1.019 171 S HN 0.913 nan 8.310 nan 0.000 0.480 172 Q N 3.092 123.084 119.800 0.321 0.000 2.509 172 Q HA 0.421 4.761 4.340 0.000 0.000 0.236 172 Q C -1.293 174.730 176.000 0.038 0.000 1.073 172 Q CA -0.511 55.385 55.803 0.154 0.000 0.867 172 Q CB 0.653 29.540 28.738 0.248 0.000 1.181 172 Q HN 0.707 nan 8.270 nan 0.000 0.526 173 V N 3.856 123.690 119.914 -0.133 0.000 2.546 173 V HA 0.228 4.348 4.120 0.000 0.000 0.284 173 V C -0.252 175.626 176.094 -0.361 0.000 1.050 173 V CA -0.584 61.486 62.300 -0.383 0.000 0.981 173 V CB 0.697 32.072 31.823 -0.746 0.000 0.990 173 V HN 0.700 nan 8.190 nan 0.000 0.474 174 W N 5.102 126.117 121.300 -0.475 0.000 2.381 174 W HA 0.636 5.296 4.660 0.000 0.000 0.329 174 W C -0.982 175.211 176.519 -0.542 0.000 1.157 174 W CA -0.761 56.379 57.345 -0.343 0.000 1.240 174 W CB 1.071 30.424 29.460 -0.178 0.000 1.199 174 W HN 0.369 nan 8.180 nan 0.000 0.579 175 F N 4.089 123.511 119.950 -0.880 0.000 2.460 175 F HA 0.574 5.101 4.527 0.000 0.000 0.341 175 F C 0.804 175.915 175.800 -1.148 0.000 1.130 175 F CA -0.693 56.866 58.000 -0.735 0.000 0.962 175 F CB 1.212 39.905 39.000 -0.512 0.000 1.171 175 F HN 0.385 nan 8.300 nan 0.000 0.436 176 G N -0.472 108.064 108.800 -0.440 0.000 2.667 176 G HA2 0.519 4.479 3.960 0.000 0.000 0.310 176 G HA3 0.519 4.479 3.960 0.000 0.000 0.310 176 G C -0.997 173.875 174.900 -0.046 0.000 1.259 176 G CA -0.608 44.355 45.100 -0.230 0.000 1.019 176 G HN 0.927 nan 8.290 nan 0.000 0.496 177 H N -2.012 117.062 119.070 0.006 0.000 2.975 177 H HA 0.621 5.177 4.556 0.000 0.000 0.303 177 H C 1.514 176.858 175.328 0.028 0.000 1.023 177 H CA 1.070 57.122 56.048 0.006 0.000 1.473 177 H CB -0.486 29.285 29.762 0.016 0.000 1.498 177 H HN 2.099 nan 8.280 nan 0.000 0.549 178 R N 0.950 121.459 120.500 0.016 0.000 3.516 178 R HA -0.026 4.314 4.340 0.000 0.000 0.271 178 R C 0.628 176.952 176.300 0.040 0.000 1.098 178 R CA 1.990 58.104 56.100 0.023 0.000 0.732 178 R CB -2.478 27.834 30.300 0.019 0.000 1.152 178 R HN 2.256 nan 8.270 nan 0.000 0.455 179 S N -1.750 113.983 115.700 0.055 0.000 2.595 179 S HA 0.840 5.310 4.470 0.000 0.000 0.270 179 S C -1.251 173.381 174.600 0.054 0.000 1.145 179 S CA 0.434 58.672 58.200 0.062 0.000 0.825 179 S CB 1.982 65.234 63.200 0.088 0.000 1.107 179 S HN 1.295 nan 8.310 nan 0.000 0.461 180 S N 1.375 117.075 115.700 0.000 0.000 2.537 180 S HA 0.675 5.145 4.470 0.000 0.000 0.270 180 S C -1.762 172.749 174.600 -0.149 0.000 1.142 180 S CA -0.722 57.388 58.200 -0.151 0.000 0.870 180 S CB 1.907 64.960 63.200 -0.245 0.000 1.112 180 S HN 0.782 nan 8.310 nan 0.000 0.466 181 Q N 1.062 120.726 119.800 -0.227 0.000 2.391 181 Q HA 0.556 4.896 4.340 0.000 0.000 0.279 181 Q C -1.812 174.052 176.000 -0.225 0.000 1.028 181 Q CA -0.631 55.095 55.803 -0.128 0.000 0.836 181 Q CB 1.181 29.933 28.738 0.023 0.000 1.414 181 Q HN 0.550 nan 8.270 nan 0.000 0.397 182 F N 2.360 122.285 119.950 -0.040 0.000 2.382 182 F HA 0.284 4.811 4.527 0.000 0.000 0.331 182 F C 1.319 177.119 175.800 0.000 0.000 1.121 182 F CA 0.230 58.215 58.000 -0.025 0.000 1.183 182 F CB 0.769 39.763 39.000 -0.010 0.000 1.207 182 F HN 0.605 nan 8.300 nan 0.000 0.555 183 M N 0.694 120.426 119.600 0.219 0.000 2.777 183 M HA 0.306 4.786 4.480 0.000 0.000 0.244 183 M C 0.951 177.333 176.300 0.137 0.000 1.457 183 M CA 0.708 56.088 55.300 0.134 0.000 1.174 183 M CB 0.770 33.434 32.600 0.108 0.000 1.321 183 M HN 0.800 nan 8.290 nan 0.000 0.546 184 G N 1.549 110.458 108.800 0.182 0.000 2.542 184 G HA2 0.139 4.099 3.960 0.000 0.000 0.223 184 G HA3 0.139 4.099 3.960 0.000 0.000 0.223 184 G C -0.553 174.525 174.900 0.297 0.000 1.041 184 G CA -0.650 44.603 45.100 0.256 0.000 0.928 184 G HN 0.311 nan 8.290 nan 0.000 0.558 185 I N -0.178 120.523 120.570 0.218 0.000 2.828 185 I HA 0.664 4.834 4.170 0.000 0.000 0.295 185 I C -1.917 174.344 176.117 0.240 0.000 1.459 185 I CA -1.139 60.268 61.300 0.178 0.000 1.015 185 I CB 2.613 40.623 38.000 0.016 0.000 1.345 185 I HN 0.158 nan 8.210 nan 0.000 0.449 186 F N 5.521 125.506 119.950 0.058 0.000 2.639 186 F HA 0.520 5.047 4.527 0.000 0.000 0.326 186 F C -1.785 174.046 175.800 0.052 0.000 1.150 186 F CA -0.244 57.783 58.000 0.046 0.000 1.057 186 F CB 1.367 40.395 39.000 0.047 0.000 1.300 186 F HN 0.370 nan 8.300 nan 0.000 0.486 187 E N 3.576 123.424 120.200 -0.586 0.000 2.227 187 E HA 0.490 4.840 4.350 0.000 0.000 0.268 187 E C -1.788 174.435 176.600 -0.629 0.000 0.907 187 E CA -0.991 55.046 56.400 -0.604 0.000 0.786 187 E CB 2.447 32.011 29.700 -0.226 0.000 1.191 187 E HN 0.610 nan 8.360 nan 0.000 0.411 188 D N 0.525 120.652 120.400 -0.456 0.000 2.602 188 D HA 0.262 4.902 4.640 0.000 0.000 0.236 188 D C -1.551 174.681 176.300 -0.113 0.000 1.209 188 D CA -0.712 53.181 54.000 -0.179 0.000 0.831 188 D CB 1.560 42.348 40.800 -0.020 0.000 1.478 188 D HN 0.231 nan 8.370 nan 0.000 0.438 189 R N 1.443 121.890 120.500 -0.088 0.000 2.310 189 R HA 0.794 5.134 4.340 0.000 0.000 0.324 189 R C -1.235 174.926 176.300 -0.232 0.000 0.955 189 R CA -0.618 55.426 56.100 -0.093 0.000 0.830 189 R CB 1.149 31.405 30.300 -0.073 0.000 1.154 189 R HN 0.385 nan 8.270 nan 0.000 0.458 190 A N 5.810 128.439 122.820 -0.319 0.000 2.301 190 A HA 0.603 4.923 4.320 0.000 0.000 0.312 190 A C -2.466 175.003 177.584 -0.193 0.000 1.182 190 A CA -1.941 49.711 52.037 -0.643 0.000 0.826 190 A CB 0.937 19.421 19.000 -0.859 0.000 1.134 190 A HN 0.528 nan 8.150 nan 0.000 0.501 191 P HA 0.317 nan 4.420 nan 0.000 0.292 191 P C -0.667 176.624 177.300 -0.014 0.000 1.287 191 P CA -0.298 62.793 63.100 -0.014 0.000 0.800 191 P CB 1.250 32.912 31.700 -0.064 0.000 0.945 192 V N 6.771 126.705 119.914 0.033 0.000 2.427 192 V HA 0.153 4.273 4.120 0.000 0.000 0.268 192 V C -1.819 174.201 176.094 -0.123 0.000 1.046 192 V CA -1.480 60.816 62.300 -0.006 0.000 0.970 192 V CB 0.138 31.990 31.823 0.048 0.000 1.001 192 V HN 0.545 nan 8.190 nan 0.000 0.476 193 P HA 0.040 nan 4.420 nan 0.000 0.269 193 P C 0.620 177.770 177.300 -0.250 0.000 1.211 193 P CA 0.115 63.050 63.100 -0.274 0.000 0.781 193 P CB 0.376 32.031 31.700 -0.075 0.000 0.877 194 F N 1.080 121.020 119.950 -0.017 0.000 2.043 194 F HA -0.283 4.244 4.527 0.000 0.000 0.297 194 F C 2.356 178.124 175.800 -0.054 0.000 1.121 194 F CA 2.000 59.967 58.000 -0.055 0.000 1.199 194 F CB -1.761 37.201 39.000 -0.064 0.000 0.968 194 F HN 0.361 nan 8.300 nan 0.000 0.478 195 E N 0.842 121.161 120.200 0.198 0.000 2.160 195 E HA -0.263 4.087 4.350 0.000 0.000 0.195 195 E C 1.753 178.383 176.600 0.051 0.000 0.991 195 E CA 1.730 58.192 56.400 0.104 0.000 0.810 195 E CB -1.001 28.757 29.700 0.097 0.000 0.742 195 E HN 0.647 nan 8.360 nan 0.000 0.466 196 E N 0.496 120.713 120.200 0.027 0.000 2.204 196 E HA -0.126 4.224 4.350 0.000 0.000 0.194 196 E C 1.751 178.340 176.600 -0.018 0.000 0.989 196 E CA 1.112 57.516 56.400 0.007 0.000 0.824 196 E CB 0.168 29.869 29.700 0.001 0.000 0.756 196 E HN 0.251 nan 8.360 nan 0.000 0.477 197 V N 1.266 121.146 119.914 -0.057 0.000 2.346 197 V HA -0.216 3.904 4.120 0.000 0.000 0.244 197 V C 2.316 178.389 176.094 -0.034 0.000 1.037 197 V CA 1.009 63.235 62.300 -0.124 0.000 1.029 197 V CB -0.329 31.317 31.823 -0.295 0.000 0.663 197 V HN 0.337 nan 8.190 nan 0.000 0.454 198 I N 0.723 121.303 120.570 0.017 0.000 2.118 198 I HA -0.222 3.949 4.170 0.000 0.000 0.241 198 I C 2.174 178.330 176.117 0.065 0.000 1.070 198 I CA 1.934 63.289 61.300 0.091 0.000 1.327 198 I CB -1.324 36.731 38.000 0.092 0.000 1.034 198 I HN 0.379 nan 8.210 nan 0.000 0.405 199 D N 0.653 121.076 120.400 0.038 0.000 2.232 199 D HA -0.059 4.581 4.640 0.000 0.000 0.220 199 D C 2.180 178.487 176.300 0.011 0.000 0.982 199 D CA 0.744 54.759 54.000 0.024 0.000 0.892 199 D CB -0.185 40.629 40.800 0.023 0.000 1.040 199 D HN 0.149 nan 8.370 nan 0.000 0.463 200 K N 0.852 121.257 120.400 0.009 0.000 1.985 200 K HA -0.032 4.288 4.320 0.000 0.000 0.210 200 K C 2.431 179.028 176.600 -0.006 0.000 1.047 200 K CA 0.841 57.129 56.287 0.003 0.000 0.932 200 K CB -0.518 31.986 32.500 0.007 0.000 0.716 200 K HN 0.273 nan 8.250 nan 0.000 0.439 201 I N 0.676 121.242 120.570 -0.007 0.000 2.368 201 I HA -0.152 4.018 4.170 0.000 0.000 0.238 201 I C 2.293 178.403 176.117 -0.012 0.000 1.076 201 I CA 0.999 62.292 61.300 -0.011 0.000 1.397 201 I CB -0.543 37.461 38.000 0.007 0.000 1.141 201 I HN 0.112 nan 8.210 nan 0.000 0.430 202 N N 1.380 120.089 118.700 0.016 0.000 2.205 202 N HA -0.168 4.572 4.740 0.000 0.000 0.186 202 N C 1.521 177.025 175.510 -0.010 0.000 1.015 202 N CA 1.809 54.886 53.050 0.046 0.000 0.862 202 N CB 0.082 38.670 38.487 0.170 0.000 0.986 202 N HN 0.403 nan 8.380 nan 0.000 0.429 203 A N 0.305 123.118 122.820 -0.012 0.000 1.941 203 A HA 0.179 4.499 4.320 0.000 0.000 0.214 203 A C 1.889 179.452 177.584 -0.035 0.000 1.368 203 A CA 0.616 52.635 52.037 -0.030 0.000 0.651 203 A CB -0.155 18.834 19.000 -0.018 0.000 1.064 203 A HN 0.273 nan 8.150 nan 0.000 0.492 204 K N -0.736 119.648 120.400 -0.026 0.000 2.366 204 K HA 0.211 4.531 4.320 0.000 0.000 0.198 204 K C 0.884 177.461 176.600 -0.038 0.000 1.044 204 K CA 0.538 56.809 56.287 -0.028 0.000 0.973 204 K CB -0.018 32.471 32.500 -0.018 0.000 0.767 204 K HN 0.773 nan 8.250 nan 0.000 0.475 205 G N 1.667 110.438 108.800 -0.048 0.000 2.176 205 G HA2 -0.243 3.717 3.960 0.000 0.000 0.252 205 G HA3 -0.243 3.717 3.960 0.000 0.000 0.252 205 G C 0.147 175.009 174.900 -0.064 0.000 1.024 205 G CA 0.378 45.434 45.100 -0.075 0.000 0.755 205 G HN 0.249 nan 8.290 nan 0.000 0.507 206 V N -4.079 115.812 119.914 -0.038 0.000 3.139 206 V HA 0.937 5.057 4.120 0.000 0.000 0.310 206 V C 0.348 176.435 176.094 -0.012 0.000 1.260 206 V CA -0.852 61.432 62.300 -0.026 0.000 1.064 206 V CB 1.899 33.712 31.823 -0.016 0.000 1.160 206 V HN 1.396 nan 8.190 nan 0.000 0.470 207 c N 0.385 118.982 118.600 -0.005 0.000 3.113 207 c HA 0.590 5.161 4.570 0.000 0.000 0.376 207 c C 0.158 174.251 174.090 0.006 0.000 1.077 207 c CA -0.529 55.802 56.329 0.004 0.000 1.253 207 c CB 1.426 43.942 42.510 0.009 0.000 1.637 207 c HN 1.132 nan 8.230 nan 0.000 0.535 208 R N 2.023 122.534 120.500 0.018 0.000 2.893 208 R HA 0.273 4.613 4.340 0.000 0.000 0.279 208 R C 1.011 177.324 176.300 0.022 0.000 1.076 208 R CA 0.705 56.823 56.100 0.031 0.000 1.203 208 R CB 0.289 30.615 30.300 0.044 0.000 1.137 208 R HN 0.894 nan 8.270 nan 0.000 0.541 209 S N -1.703 114.028 115.700 0.051 0.000 2.588 209 S HA 0.084 4.554 4.470 0.000 0.000 0.245 209 S C -0.089 174.578 174.600 0.111 0.000 1.021 209 S CA -0.563 57.670 58.200 0.056 0.000 1.006 209 S CB 0.018 63.278 63.200 0.100 0.000 0.830 209 S HN 0.672 nan 8.310 nan 0.000 0.468 210 T N -1.578 113.016 114.554 0.066 0.000 2.909 210 T HA 0.804 5.154 4.350 0.000 0.000 0.299 210 T C -0.839 173.869 174.700 0.014 0.000 1.073 210 T CA -0.727 61.378 62.100 0.009 0.000 0.999 210 T CB 1.776 70.610 68.868 -0.057 0.000 1.098 210 T HN 0.475 nan 8.240 nan 0.000 0.477 211 A N 2.341 125.175 122.820 0.025 0.000 2.431 211 A HA 0.646 4.966 4.320 0.000 0.000 0.318 211 A C -0.098 177.630 177.584 0.241 0.000 1.330 211 A CA -0.824 51.299 52.037 0.145 0.000 0.804 211 A CB 0.422 19.529 19.000 0.179 0.000 1.135 211 A HN 0.849 nan 8.150 nan 0.000 0.483 212 K N 2.698 123.192 120.400 0.155 0.000 2.211 212 K HA 0.641 4.961 4.320 0.000 0.000 0.275 212 K C -1.198 175.530 176.600 0.214 0.000 1.024 212 K CA -0.341 55.992 56.287 0.077 0.000 0.887 212 K CB 0.603 33.103 32.500 0.000 0.000 1.084 212 K HN 0.768 nan 8.250 nan 0.000 0.463 213 Y N -0.766 119.528 120.300 -0.010 0.000 2.750 213 Y HA 0.399 4.949 4.550 0.000 0.000 0.335 213 Y C -1.765 174.143 175.900 0.013 0.000 1.252 213 Y CA -1.475 56.625 58.100 0.000 0.000 1.064 213 Y CB 0.880 39.343 38.460 0.006 0.000 1.321 213 Y HN 0.086 nan 8.280 nan 0.000 0.451 214 V N 2.791 122.791 119.914 0.144 0.000 2.350 214 V HA 0.749 4.869 4.120 0.000 0.000 0.276 214 V C -0.994 175.188 176.094 0.146 0.000 1.028 214 V CA -0.267 62.069 62.300 0.060 0.000 0.860 214 V CB 0.806 32.667 31.823 0.064 0.000 0.990 214 V HN 0.838 nan 8.190 nan 0.000 0.453 215 R N 5.469 126.011 120.500 0.069 0.000 2.532 215 R HA 0.521 4.861 4.340 0.000 0.000 0.297 215 R C -0.027 176.307 176.300 0.056 0.000 0.984 215 R CA -0.138 56.043 56.100 0.135 0.000 0.884 215 R CB 0.684 31.138 30.300 0.257 0.000 1.182 215 R HN 0.803 nan 8.270 nan 0.000 0.442 216 N N 4.124 122.857 118.700 0.054 0.000 2.738 216 N HA -0.221 4.519 4.740 0.000 0.000 0.249 216 N C -0.931 174.583 175.510 0.006 0.000 1.047 216 N CA 1.244 54.307 53.050 0.022 0.000 0.707 216 N CB -1.148 37.344 38.487 0.008 0.000 0.937 216 N HN 0.889 nan 8.380 nan 0.000 0.545 217 N N -3.036 115.672 118.700 0.013 0.000 2.753 217 N HA -0.234 4.506 4.740 0.000 0.000 0.251 217 N C -0.564 174.943 175.510 -0.005 0.000 1.097 217 N CA 1.279 54.332 53.050 0.006 0.000 0.786 217 N CB -0.901 37.586 38.487 0.001 0.000 1.137 217 N HN 0.571 nan 8.380 nan 0.000 0.566 218 L N 0.702 121.916 121.223 -0.015 0.000 2.401 218 L HA 0.442 4.782 4.340 0.000 0.000 0.266 218 L C 0.022 176.851 176.870 -0.069 0.000 0.991 218 L CA -0.693 54.125 54.840 -0.037 0.000 0.818 218 L CB 1.815 43.847 42.059 -0.045 0.000 1.321 218 L HN 0.086 nan 8.230 nan 0.000 0.413 219 E N 2.722 122.878 120.200 -0.074 0.000 1.924 219 E HA 0.174 4.524 4.350 0.000 0.000 0.261 219 E C -0.648 175.844 176.600 -0.180 0.000 1.088 219 E CA -0.179 56.151 56.400 -0.117 0.000 0.909 219 E CB 0.457 30.122 29.700 -0.059 0.000 1.112 219 E HN 0.740 nan 8.360 nan 0.000 0.425 220 T N 2.352 116.709 114.554 -0.328 0.000 2.882 220 T HA 0.301 4.651 4.350 0.000 0.000 0.287 220 T C -0.388 174.079 174.700 -0.389 0.000 1.014 220 T CA -0.028 61.870 62.100 -0.338 0.000 1.049 220 T CB 1.119 69.767 68.868 -0.366 0.000 1.001 220 T HN 0.337 nan 8.240 nan 0.000 0.525 221 T N 2.411 116.825 114.554 -0.233 0.000 3.071 221 T HA 0.661 5.011 4.350 0.000 0.000 0.311 221 T C -1.196 173.369 174.700 -0.226 0.000 1.042 221 T CA -0.594 61.364 62.100 -0.236 0.000 1.028 221 T CB 1.312 70.034 68.868 -0.243 0.000 1.068 221 T HN 0.869 nan 8.240 nan 0.000 0.451 222 A N 2.852 125.544 122.820 -0.213 0.000 2.355 222 A HA 0.899 5.219 4.320 0.000 0.000 0.317 222 A C -1.213 176.225 177.584 -0.242 0.000 1.094 222 A CA -0.685 51.290 52.037 -0.103 0.000 0.764 222 A CB 0.712 19.771 19.000 0.100 0.000 1.230 222 A HN 0.700 nan 8.150 nan 0.000 0.448 223 F N 0.916 120.942 119.950 0.126 0.000 2.420 223 F HA 0.343 4.870 4.527 0.000 0.000 0.342 223 F C 0.721 176.582 175.800 0.102 0.000 1.113 223 F CA -0.288 57.769 58.000 0.094 0.000 1.059 223 F CB 1.230 40.244 39.000 0.023 0.000 1.128 223 F HN 0.748 nan 8.300 nan 0.000 0.475 224 H N 4.561 123.734 119.070 0.172 0.000 3.091 224 H HA 0.137 4.693 4.556 0.000 0.000 0.289 224 H C 0.833 176.148 175.328 -0.022 0.000 0.995 224 H CA 0.400 56.499 56.048 0.084 0.000 1.461 224 H CB 0.265 30.065 29.762 0.064 0.000 1.510 224 H HN 0.625 nan 8.280 nan 0.000 0.546 225 R N 3.317 123.481 120.500 -0.560 0.000 4.010 225 R HA -0.266 4.074 4.340 0.000 0.000 0.409 225 R C -0.246 175.766 176.300 -0.480 0.000 1.120 225 R CA 1.111 56.646 56.100 -0.941 0.000 1.244 225 R CB -1.621 28.101 30.300 -0.964 0.000 1.799 225 R HN 1.039 nan 8.270 nan 0.000 0.559 226 D N -1.132 119.198 120.400 -0.116 0.000 3.028 226 D HA -0.150 4.490 4.640 0.000 0.000 0.207 226 D C 0.181 176.335 176.300 -0.243 0.000 1.100 226 D CA 1.737 55.706 54.000 -0.052 0.000 0.995 226 D CB -0.672 40.062 40.800 -0.109 0.000 1.108 226 D HN 0.397 nan 8.370 nan 0.000 0.421 227 D N -0.032 120.242 120.400 -0.211 0.000 2.325 227 D HA 0.171 4.811 4.640 0.000 0.000 0.262 227 D C 0.797 176.912 176.300 -0.308 0.000 1.263 227 D CA 0.189 54.028 54.000 -0.269 0.000 1.020 227 D CB 0.250 40.986 40.800 -0.107 0.000 1.117 227 D HN 0.215 nan 8.370 nan 0.000 0.545 228 H N -0.403 118.622 119.070 -0.076 0.000 2.546 228 H HA 0.139 4.695 4.556 0.000 0.000 0.365 228 H C 0.219 175.604 175.328 0.095 0.000 1.220 228 H CA -0.317 55.703 56.048 -0.047 0.000 1.386 228 H CB 0.450 30.184 29.762 -0.047 0.000 1.510 228 H HN 0.233 nan 8.280 nan 0.000 0.591 229 E N 0.742 121.115 120.200 0.290 0.000 2.529 229 E HA -0.001 4.349 4.350 0.000 0.000 0.259 229 E C -0.832 175.868 176.600 0.166 0.000 0.966 229 E CA 0.367 56.916 56.400 0.248 0.000 0.937 229 E CB 0.277 30.110 29.700 0.222 0.000 0.923 229 E HN 0.539 nan 8.360 nan 0.000 0.468 230 T N 4.840 119.476 114.554 0.138 0.000 3.071 230 T HA 0.156 4.507 4.350 0.000 0.000 0.311 230 T C -1.489 173.250 174.700 0.064 0.000 1.042 230 T CA -0.919 61.237 62.100 0.094 0.000 1.028 230 T CB 1.182 70.109 68.868 0.099 0.000 1.068 230 T HN 0.379 nan 8.240 nan 0.000 0.451 231 D N 3.080 123.506 120.400 0.045 0.000 2.350 231 D HA 0.477 5.117 4.640 0.000 0.000 0.249 231 D C -0.023 176.285 176.300 0.013 0.000 1.119 231 D CA 0.197 54.213 54.000 0.025 0.000 0.886 231 D CB 0.607 41.419 40.800 0.020 0.000 1.195 231 D HN 0.380 nan 8.370 nan 0.000 0.437 232 M N 1.041 120.639 119.600 -0.002 0.000 2.393 232 M HA 0.287 4.767 4.480 0.000 0.000 0.299 232 M C -0.066 176.220 176.300 -0.023 0.000 1.103 232 M CA -0.867 54.423 55.300 -0.016 0.000 0.910 232 M CB 2.530 35.106 32.600 -0.038 0.000 1.659 232 M HN 0.100 nan 8.290 nan 0.000 0.445 233 E N 2.109 122.294 120.200 -0.025 0.000 2.390 233 E HA 0.342 4.692 4.350 0.000 0.000 0.261 233 E C -1.099 175.480 176.600 -0.035 0.000 1.076 233 E CA -0.208 56.174 56.400 -0.029 0.000 0.905 233 E CB 1.016 30.702 29.700 -0.024 0.000 0.984 233 E HN 0.487 nan 8.360 nan 0.000 0.427 234 L N 3.433 124.636 121.223 -0.032 0.000 2.264 234 L HA 0.222 4.562 4.340 0.000 0.000 0.287 234 L C 0.176 177.090 176.870 0.075 0.000 1.039 234 L CA -0.537 54.305 54.840 0.003 0.000 0.829 234 L CB 0.349 42.399 42.059 -0.015 0.000 1.211 234 L HN 0.385 nan 8.230 nan 0.000 0.427 235 K N 3.399 123.811 120.400 0.020 0.000 2.174 235 K HA 0.515 4.835 4.320 0.000 0.000 0.275 235 K C -2.686 174.017 176.600 0.173 0.000 1.015 235 K CA -2.013 54.304 56.287 0.050 0.000 0.933 235 K CB 0.765 33.192 32.500 -0.122 0.000 1.025 235 K HN 0.088 nan 8.250 nan 0.000 0.463 236 P HA -0.098 nan 4.420 nan 0.000 0.261 236 P C -0.574 176.713 177.300 -0.021 0.000 1.183 236 P CA 0.247 63.304 63.100 -0.072 0.000 0.761 236 P CB 0.563 32.230 31.700 -0.056 0.000 0.785 237 A N 4.405 127.198 122.820 -0.045 0.000 2.555 237 A HA -0.038 4.282 4.320 0.000 0.000 0.233 237 A C 0.578 178.150 177.584 -0.021 0.000 1.060 237 A CA -0.040 52.042 52.037 0.076 0.000 0.759 237 A CB -0.417 18.500 19.000 -0.138 0.000 0.995 237 A HN 0.529 nan 8.150 nan 0.000 0.506 238 N N 1.339 120.048 118.700 0.015 0.000 2.348 238 N HA 0.123 4.863 4.740 0.000 0.000 0.286 238 N C 0.449 175.917 175.510 -0.071 0.000 1.371 238 N CA 1.117 54.156 53.050 -0.018 0.000 0.966 238 N CB -0.190 38.283 38.487 -0.024 0.000 1.356 238 N HN 0.796 nan 8.380 nan 0.000 0.490 239 A N 1.692 124.467 122.820 -0.076 0.000 2.573 239 A HA 0.347 4.667 4.320 0.000 0.000 0.250 239 A C 0.675 178.209 177.584 -0.083 0.000 1.049 239 A CA 0.210 52.188 52.037 -0.099 0.000 0.767 239 A CB -0.044 18.906 19.000 -0.083 0.000 0.965 239 A HN 0.692 nan 8.150 nan 0.000 0.514 240 A N 2.695 125.457 122.820 -0.097 0.000 2.346 240 A HA 0.861 5.182 4.320 0.000 0.000 0.313 240 A C 0.525 178.063 177.584 -0.076 0.000 1.140 240 A CA 0.054 52.043 52.037 -0.080 0.000 0.826 240 A CB 0.553 19.501 19.000 -0.086 0.000 1.332 240 A HN 1.534 nan 8.150 nan 0.000 0.457 241 T N -1.563 112.953 114.554 -0.063 0.000 2.910 241 T HA 0.501 4.851 4.350 0.000 0.000 0.293 241 T C 0.376 175.039 174.700 -0.062 0.000 1.015 241 T CA -0.238 61.828 62.100 -0.057 0.000 1.094 241 T CB 0.638 69.479 68.868 -0.046 0.000 0.968 241 T HN 0.775 nan 8.240 nan 0.000 0.521 242 R N -0.886 119.578 120.500 -0.060 0.000 3.863 242 R HA -0.153 4.187 4.340 0.000 0.000 0.313 242 R C -0.086 176.167 176.300 -0.077 0.000 1.202 242 R CA 1.154 57.217 56.100 -0.063 0.000 0.852 242 R CB -2.726 27.540 30.300 -0.058 0.000 1.292 242 R HN 1.036 nan 8.270 nan 0.000 0.519 243 T N -2.534 111.968 114.554 -0.088 0.000 2.824 243 T HA 0.519 4.869 4.350 0.000 0.000 0.282 243 T C 0.571 175.196 174.700 -0.123 0.000 0.993 243 T CA -0.273 61.762 62.100 -0.107 0.000 0.967 243 T CB 2.035 70.834 68.868 -0.116 0.000 0.960 243 T HN 0.211 nan 8.240 nan 0.000 0.441 244 S N 3.446 119.069 115.700 -0.129 0.000 2.592 244 S HA 0.251 4.721 4.470 0.000 0.000 0.256 244 S C 0.347 174.814 174.600 -0.221 0.000 1.369 244 S CA -0.909 57.208 58.200 -0.139 0.000 0.984 244 S CB -0.047 63.084 63.200 -0.116 0.000 0.919 244 S HN 0.848 nan 8.310 nan 0.000 0.576 245 R N 0.416 120.750 120.500 -0.277 0.000 2.489 245 R HA 0.474 4.814 4.340 0.000 0.000 0.287 245 R C 0.620 176.407 176.300 -0.856 0.000 1.053 245 R CA 0.260 56.004 56.100 -0.594 0.000 1.036 245 R CB 0.122 30.049 30.300 -0.622 0.000 0.966 245 R HN 0.783 nan 8.270 nan 0.000 0.432 246 G N 1.803 110.021 108.800 -0.969 0.000 2.537 246 G HA2 0.636 4.596 3.960 0.000 0.000 0.308 246 G HA3 0.636 4.596 3.960 0.000 0.000 0.308 246 G C -1.484 172.889 174.900 -0.879 0.000 1.237 246 G CA -0.568 44.112 45.100 -0.700 0.000 0.968 246 G HN 0.454 nan 8.290 nan 0.000 0.481 247 W N -0.028 121.281 121.300 0.016 0.000 3.372 247 W HA 0.413 5.073 4.660 0.000 0.000 0.315 247 W C -0.803 175.776 176.519 0.100 0.000 1.223 247 W CA -0.684 56.694 57.345 0.054 0.000 1.202 247 W CB 1.949 31.405 29.460 -0.005 0.000 1.367 247 W HN 0.981 nan 8.180 nan 0.000 0.531 248 H N -2.519 116.632 119.070 0.135 0.000 3.046 248 H HA 0.428 4.984 4.556 0.000 0.000 0.363 248 H C 0.481 175.828 175.328 0.032 0.000 1.203 248 H CA -0.212 55.858 56.048 0.037 0.000 1.169 248 H CB 1.790 31.544 29.762 -0.014 0.000 1.851 248 H HN 0.181 nan 8.280 nan 0.000 0.546 249 T N -0.432 114.112 114.554 -0.016 0.000 2.901 249 T HA 0.075 4.425 4.350 0.000 0.000 0.252 249 T C 0.684 175.336 174.700 -0.080 0.000 1.035 249 T CA 0.967 63.016 62.100 -0.085 0.000 1.142 249 T CB -0.254 68.566 68.868 -0.081 0.000 0.869 249 T HN 0.573 nan 8.240 nan 0.000 0.442 250 T N 2.599 117.148 114.554 -0.008 0.000 2.934 250 T HA 0.491 4.841 4.350 0.000 0.000 0.283 250 T C 0.130 174.960 174.700 0.217 0.000 1.005 250 T CA -0.256 61.873 62.100 0.049 0.000 1.041 250 T CB 1.601 70.469 68.868 0.002 0.000 1.042 250 T HN 0.528 nan 8.240 nan 0.000 0.505 251 D N -0.332 120.183 120.400 0.191 0.000 2.399 251 D HA 0.171 4.811 4.640 0.000 0.000 0.269 251 D C 0.091 176.477 176.300 0.144 0.000 1.105 251 D CA -0.023 54.100 54.000 0.205 0.000 0.844 251 D CB 0.048 40.966 40.800 0.196 0.000 1.372 251 D HN 0.310 nan 8.370 nan 0.000 0.517 252 L N 0.458 121.777 121.223 0.161 0.000 2.333 252 L HA 0.501 4.841 4.340 0.000 0.000 0.269 252 L C -0.173 176.811 176.870 0.191 0.000 1.010 252 L CA -1.187 53.745 54.840 0.154 0.000 0.818 252 L CB 1.970 44.119 42.059 0.149 0.000 1.306 252 L HN -0.286 nan 8.230 nan 0.000 0.430 253 K N 1.613 122.112 120.400 0.165 0.000 2.227 253 K HA 0.238 4.558 4.320 0.000 0.000 0.280 253 K C -0.949 175.779 176.600 0.214 0.000 1.041 253 K CA -0.483 55.915 56.287 0.186 0.000 0.905 253 K CB 1.284 33.864 32.500 0.135 0.000 1.068 253 K HN 0.362 nan 8.250 nan 0.000 0.470 254 Y N 3.803 124.166 120.300 0.104 0.000 2.404 254 Y HA 0.169 4.720 4.550 0.000 0.000 0.344 254 Y C -0.526 175.443 175.900 0.114 0.000 0.995 254 Y CA -0.239 57.904 58.100 0.071 0.000 1.201 254 Y CB 0.426 38.875 38.460 -0.018 0.000 1.151 254 Y HN 0.465 nan 8.280 nan 0.000 0.517 255 N N 7.180 125.602 118.700 -0.463 0.000 2.362 255 N HA 0.444 5.184 4.740 0.000 0.000 0.299 255 N C -2.977 172.145 175.510 -0.647 0.000 1.170 255 N CA -2.034 50.774 53.050 -0.403 0.000 0.825 255 N CB 1.523 39.938 38.487 -0.119 0.000 1.299 255 N HN 0.382 nan 8.380 nan 0.000 0.502 256 P HA 0.191 nan 4.420 nan 0.000 0.293 256 P C -0.154 177.139 177.300 -0.012 0.000 1.300 256 P CA -0.301 62.687 63.100 -0.186 0.000 0.792 256 P CB 0.838 32.524 31.700 -0.025 0.000 0.925 257 S N 2.652 118.293 115.700 -0.098 0.000 2.600 257 S HA 0.105 4.575 4.470 0.000 0.000 0.265 257 S C 1.565 175.890 174.600 -0.459 0.000 1.325 257 S CA -0.267 57.819 58.200 -0.190 0.000 1.002 257 S CB 0.387 63.495 63.200 -0.154 0.000 0.921 257 S HN 0.269 nan 8.310 nan 0.000 0.554 258 R N 1.375 121.347 120.500 -0.879 0.000 2.154 258 R HA -0.121 4.219 4.340 0.000 0.000 0.248 258 R C 2.015 178.002 176.300 -0.520 0.000 1.155 258 R CA 1.721 57.215 56.100 -1.010 0.000 0.979 258 R CB -0.982 28.801 30.300 -0.862 0.000 0.869 258 R HN 0.520 nan 8.270 nan 0.000 0.452 259 V N 1.166 120.857 119.914 -0.373 0.000 2.231 259 V HA -0.238 3.882 4.120 0.000 0.000 0.248 259 V C 0.867 176.762 176.094 -0.333 0.000 1.054 259 V CA 1.675 63.798 62.300 -0.295 0.000 1.015 259 V CB -0.375 31.324 31.823 -0.208 0.000 0.638 259 V HN 0.386 nan 8.190 nan 0.000 0.444 260 E N 0.111 120.159 120.200 -0.253 0.000 1.858 260 E HA 0.203 4.553 4.350 0.000 0.000 0.278 260 E C 1.243 177.709 176.600 -0.224 0.000 1.172 260 E CA 0.290 56.558 56.400 -0.221 0.000 1.127 260 E CB 0.296 29.973 29.700 -0.038 0.000 1.084 260 E HN 0.528 nan 8.360 nan 0.000 0.455 261 A N 3.339 125.919 122.820 -0.399 0.000 1.897 261 A HA -0.058 4.262 4.320 0.000 0.000 0.215 261 A C 0.577 178.168 177.584 0.011 0.000 1.181 261 A CA 0.632 52.535 52.037 -0.222 0.000 0.620 261 A CB -0.078 18.785 19.000 -0.228 0.000 0.821 261 A HN 0.323 nan 8.150 nan 0.000 0.443 262 F N -1.347 118.629 119.950 0.044 0.000 2.496 262 F HA 0.405 4.932 4.527 0.000 0.000 0.344 262 F C 1.144 177.059 175.800 0.192 0.000 1.155 262 F CA -0.190 57.866 58.000 0.094 0.000 1.302 262 F CB -0.925 38.126 39.000 0.084 0.000 1.159 262 F HN 0.492 nan 8.300 nan 0.000 0.595 263 H N -0.758 118.491 119.070 0.298 0.000 2.604 263 H HA -0.211 4.345 4.556 0.000 0.000 0.321 263 H C 0.883 176.365 175.328 0.256 0.000 1.132 263 H CA 0.532 56.752 56.048 0.286 0.000 1.129 263 H CB -0.583 29.321 29.762 0.236 0.000 1.526 263 H HN 0.764 nan 8.280 nan 0.000 0.415 264 R N 1.807 122.365 120.500 0.096 0.000 4.806 264 R HA 0.321 4.661 4.340 0.000 0.000 0.194 264 R C -0.782 175.126 176.300 -0.653 0.000 2.211 264 R CA 1.198 57.156 56.100 -0.237 0.000 1.801 264 R CB -1.047 29.056 30.300 -0.329 0.000 1.251 264 R HN 0.488 nan 8.270 nan 0.000 0.747 265 Y N -1.912 118.425 120.300 0.062 0.000 2.519 265 Y HA 0.530 5.080 4.550 0.000 0.000 0.336 265 Y C 0.692 176.699 175.900 0.179 0.000 1.089 265 Y CA -1.459 56.687 58.100 0.077 0.000 1.025 265 Y CB 2.192 40.661 38.460 0.016 0.000 1.318 265 Y HN 0.216 nan 8.280 nan 0.000 0.452 266 G N 1.320 110.291 108.800 0.286 0.000 2.347 266 G HA2 0.517 4.477 3.960 0.000 0.000 0.314 266 G HA3 0.517 4.477 3.960 0.000 0.000 0.314 266 G C -0.794 174.346 174.900 0.400 0.000 1.126 266 G CA -0.467 44.793 45.100 0.267 0.000 0.929 266 G HN 0.435 nan 8.290 nan 0.000 0.441 267 T N 1.825 116.699 114.554 0.534 0.000 2.837 267 T HA 0.616 4.966 4.350 0.000 0.000 0.285 267 T C -0.003 174.897 174.700 0.333 0.000 0.984 267 T CA -0.046 62.280 62.100 0.377 0.000 1.049 267 T CB 1.408 70.482 68.868 0.344 0.000 0.947 267 T HN 0.419 nan 8.240 nan 0.000 0.472 268 T N 2.275 116.995 114.554 0.277 0.000 2.879 268 T HA 0.501 4.851 4.350 0.000 0.000 0.290 268 T C -0.743 174.147 174.700 0.318 0.000 0.993 268 T CA -0.568 61.717 62.100 0.308 0.000 0.975 268 T CB 1.334 70.369 68.868 0.279 0.000 0.981 268 T HN 0.325 nan 8.240 nan 0.000 0.439 269 V N 3.917 124.125 119.914 0.491 0.000 2.349 269 V HA 0.479 4.599 4.120 0.000 0.000 0.284 269 V C -0.397 175.721 176.094 0.039 0.000 1.014 269 V CA -0.873 61.559 62.300 0.219 0.000 0.826 269 V CB 1.272 33.204 31.823 0.180 0.000 1.009 269 V HN 0.790 nan 8.190 nan 0.000 0.431 270 N N 3.412 122.136 118.700 0.040 0.000 2.511 270 N HA 0.249 4.989 4.740 0.000 0.000 0.249 270 N C -0.590 174.909 175.510 -0.018 0.000 0.971 270 N CA -0.218 52.832 53.050 -0.001 0.000 0.938 270 N CB 1.220 39.736 38.487 0.048 0.000 1.131 270 N HN 0.671 nan 8.380 nan 0.000 0.505 271 c N 5.749 124.329 118.600 -0.034 0.000 2.627 271 c HA 0.473 5.043 4.570 0.000 0.000 0.404 271 c C 0.111 174.173 174.090 -0.047 0.000 1.340 271 c CA -0.462 55.845 56.329 -0.037 0.000 1.758 271 c CB -1.646 40.854 42.510 -0.016 0.000 2.501 271 c HN 0.592 nan 8.230 nan 0.000 0.588 272 I N 6.692 127.158 120.570 -0.173 0.000 2.466 272 I HA 0.417 4.587 4.170 0.000 0.000 0.289 272 I C -0.504 175.443 176.117 -0.282 0.000 1.026 272 I CA -0.506 60.639 61.300 -0.257 0.000 1.078 272 I CB 1.794 39.474 38.000 -0.532 0.000 1.249 272 I HN 0.260 nan 8.210 nan 0.000 0.429 273 V N 5.520 125.398 119.914 -0.059 0.000 2.513 273 V HA 0.471 4.591 4.120 0.000 0.000 0.299 273 V C -0.350 175.762 176.094 0.031 0.000 1.035 273 V CA -0.472 61.795 62.300 -0.055 0.000 0.889 273 V CB 1.898 33.800 31.823 0.132 0.000 0.988 273 V HN 0.723 nan 8.190 nan 0.000 0.440 274 E N 2.466 122.593 120.200 -0.121 0.000 2.378 274 E HA 0.263 4.613 4.350 0.000 0.000 0.282 274 E C -1.045 175.510 176.600 -0.075 0.000 0.910 274 E CA -0.426 55.930 56.400 -0.072 0.000 0.816 274 E CB 1.428 31.077 29.700 -0.085 0.000 1.359 274 E HN 0.758 nan 8.360 nan 0.000 0.397 275 E N 2.333 122.541 120.200 0.013 0.000 2.220 275 E HA 0.142 4.492 4.350 0.000 0.000 0.272 275 E C -0.100 176.470 176.600 -0.051 0.000 1.099 275 E CA -0.203 56.209 56.400 0.019 0.000 0.907 275 E CB 0.862 30.627 29.700 0.108 0.000 1.022 275 E HN 0.218 nan 8.360 nan 0.000 0.428 276 V N 0.340 120.205 119.914 -0.081 0.000 2.715 276 V HA 0.387 4.507 4.120 0.000 0.000 0.310 276 V C -0.076 175.905 176.094 -0.188 0.000 1.054 276 V CA -1.210 61.007 62.300 -0.138 0.000 0.928 276 V CB 1.996 33.717 31.823 -0.170 0.000 1.007 276 V HN 0.343 nan 8.190 nan 0.000 0.437 277 D N 2.463 122.733 120.400 -0.216 0.000 2.372 277 D HA 0.636 5.276 4.640 0.000 0.000 0.243 277 D C 0.154 176.202 176.300 -0.420 0.000 1.121 277 D CA 0.710 54.529 54.000 -0.302 0.000 0.898 277 D CB 1.739 42.396 40.800 -0.238 0.000 1.202 277 D HN 1.150 nan 8.370 nan 0.000 0.428 278 A N 2.455 124.854 122.820 -0.701 0.000 2.413 278 A HA 0.779 5.099 4.320 0.000 0.000 0.307 278 A C -0.538 176.642 177.584 -0.673 0.000 1.087 278 A CA -0.752 50.804 52.037 -0.801 0.000 0.750 278 A CB 1.411 19.560 19.000 -1.417 0.000 1.296 278 A HN 0.506 nan 8.150 nan 0.000 0.423 279 R N 0.819 121.136 120.500 -0.305 0.000 2.500 279 R HA 0.502 4.842 4.340 0.000 0.000 0.299 279 R C -0.738 175.633 176.300 0.118 0.000 1.038 279 R CA -0.192 55.843 56.100 -0.109 0.000 0.903 279 R CB 2.023 32.257 30.300 -0.111 0.000 1.177 279 R HN 0.701 nan 8.270 nan 0.000 0.455 280 S N 1.749 117.639 115.700 0.318 0.000 2.651 280 S HA 0.714 5.184 4.470 0.000 0.000 0.291 280 S C -0.584 174.323 174.600 0.512 0.000 1.141 280 S CA -0.503 57.989 58.200 0.486 0.000 1.027 280 S CB 1.300 64.886 63.200 0.642 0.000 1.043 280 S HN 0.247 nan 8.310 nan 0.000 0.530 281 V N 3.466 123.558 119.914 0.297 0.000 2.760 281 V HA 0.339 4.459 4.120 0.000 0.000 0.309 281 V C -0.889 174.852 176.094 -0.587 0.000 1.077 281 V CA -0.960 61.309 62.300 -0.051 0.000 0.910 281 V CB 1.510 33.346 31.823 0.022 0.000 1.008 281 V HN 0.968 nan 8.190 nan 0.000 0.424 282 Y N 6.858 126.315 120.300 -1.405 0.000 3.059 282 Y HA -0.032 4.518 4.550 0.000 0.000 0.343 282 Y C -1.437 174.225 175.900 -0.397 0.000 1.273 282 Y CA -0.193 57.266 58.100 -1.069 0.000 1.572 282 Y CB 0.765 38.882 38.460 -0.570 0.000 1.228 282 Y HN 0.539 nan 8.280 nan 0.000 0.610 283 P HA 0.040 nan 4.420 nan 0.000 0.258 283 P C -1.245 175.883 177.300 -0.286 0.000 1.403 283 P CA 0.466 62.942 63.100 -1.040 0.000 0.826 283 P CB -0.563 30.683 31.700 -0.756 0.000 1.414 284 Y N -0.561 119.728 120.300 -0.019 0.000 3.168 284 Y HA -0.226 4.324 4.550 0.000 0.000 0.207 284 Y C 0.559 176.544 175.900 0.141 0.000 1.280 284 Y CA 0.449 58.622 58.100 0.121 0.000 1.235 284 Y CB -2.689 35.895 38.460 0.207 0.000 1.370 284 Y HN 0.245 nan 8.280 nan 0.000 0.537 285 D N -0.177 120.326 120.400 0.171 0.000 2.388 285 D HA 0.174 4.814 4.640 0.000 0.000 0.221 285 D C 0.411 176.861 176.300 0.250 0.000 1.133 285 D CA 0.737 54.852 54.000 0.192 0.000 0.831 285 D CB 0.166 40.967 40.800 0.003 0.000 0.962 285 D HN 0.720 nan 8.370 nan 0.000 0.502 286 E N -1.106 119.266 120.200 0.286 0.000 2.411 286 E HA 0.430 4.780 4.350 0.000 0.000 0.279 286 E C -1.300 175.524 176.600 0.373 0.000 1.132 286 E CA -1.149 55.428 56.400 0.294 0.000 0.876 286 E CB 0.697 30.475 29.700 0.130 0.000 1.335 286 E HN 0.056 nan 8.360 nan 0.000 0.436 287 F N -1.064 118.920 119.950 0.057 0.000 2.831 287 F HA 0.803 5.330 4.527 0.000 0.000 0.318 287 F C -1.261 174.438 175.800 -0.170 0.000 1.174 287 F CA -0.780 57.217 58.000 -0.005 0.000 0.918 287 F CB 0.816 39.854 39.000 0.064 0.000 1.364 287 F HN 0.509 nan 8.300 nan 0.000 0.475 288 V N -0.359 119.473 119.914 -0.138 0.000 3.181 288 V HA 0.831 4.951 4.120 0.000 0.000 0.314 288 V C -1.265 174.678 176.094 -0.253 0.000 1.173 288 V CA -1.167 60.877 62.300 -0.427 0.000 1.052 288 V CB 1.842 33.311 31.823 -0.590 0.000 1.123 288 V HN 0.956 nan 8.190 nan 0.000 0.454 289 L N 0.004 121.032 121.223 -0.325 0.000 2.327 289 L HA 0.702 5.042 4.340 0.000 0.000 0.258 289 L C 1.619 178.320 176.870 -0.281 0.000 1.024 289 L CA -0.498 54.171 54.840 -0.284 0.000 0.825 289 L CB 1.922 43.800 42.059 -0.301 0.000 1.386 289 L HN 0.848 nan 8.230 nan 0.000 0.417 290 A N -0.055 122.614 122.820 -0.252 0.000 1.948 290 A HA -0.193 4.127 4.320 0.000 0.000 0.220 290 A C 1.919 179.381 177.584 -0.203 0.000 1.177 290 A CA 2.500 54.409 52.037 -0.214 0.000 0.636 290 A CB -0.990 17.899 19.000 -0.186 0.000 0.815 290 A HN 0.894 nan 8.150 nan 0.000 0.449 291 T N -4.263 110.158 114.554 -0.223 0.000 3.160 291 T HA 0.357 4.707 4.350 0.000 0.000 0.257 291 T C 1.458 176.037 174.700 -0.201 0.000 1.147 291 T CA 1.109 63.086 62.100 -0.205 0.000 1.064 291 T CB -0.158 68.564 68.868 -0.244 0.000 0.949 291 T HN 1.775 nan 8.240 nan 0.000 0.526 292 G N 1.011 109.670 108.800 -0.235 0.000 2.195 292 G HA2 -0.203 3.757 3.960 0.000 0.000 0.246 292 G HA3 -0.203 3.757 3.960 0.000 0.000 0.246 292 G C -0.282 174.462 174.900 -0.260 0.000 0.984 292 G CA -0.051 44.901 45.100 -0.247 0.000 0.633 292 G HN 0.594 nan 8.290 nan 0.000 0.525 293 D N 0.209 120.473 120.400 -0.225 0.000 2.414 293 D HA 0.434 5.074 4.640 0.000 0.000 0.242 293 D C 0.434 176.622 176.300 -0.186 0.000 1.129 293 D CA 0.226 54.167 54.000 -0.099 0.000 0.885 293 D CB 0.519 41.289 40.800 -0.050 0.000 1.198 293 D HN 0.110 nan 8.370 nan 0.000 0.437 294 F N 0.583 120.470 119.950 -0.106 0.000 2.371 294 F HA 0.256 4.783 4.527 0.000 0.000 0.329 294 F C 0.595 176.200 175.800 -0.326 0.000 1.107 294 F CA -0.386 57.418 58.000 -0.326 0.000 1.137 294 F CB 1.167 39.853 39.000 -0.522 0.000 1.214 294 F HN -0.051 nan 8.300 nan 0.000 0.536 295 V N 3.761 123.437 119.914 -0.396 0.000 2.445 295 V HA 0.129 4.249 4.120 0.000 0.000 0.283 295 V C -1.122 174.797 176.094 -0.291 0.000 1.014 295 V CA -0.975 61.088 62.300 -0.395 0.000 0.852 295 V CB 0.625 31.861 31.823 -0.978 0.000 1.021 295 V HN 0.528 nan 8.190 nan 0.000 0.435 296 Y N 5.238 125.650 120.300 0.187 0.000 2.734 296 Y HA 0.560 5.110 4.550 0.000 0.000 0.353 296 Y C 0.361 176.483 175.900 0.370 0.000 1.244 296 Y CA 0.127 58.347 58.100 0.201 0.000 1.950 296 Y CB 0.018 38.505 38.460 0.045 0.000 2.028 296 Y HN 0.618 nan 8.280 nan 0.000 0.421 297 M N 0.594 120.457 119.600 0.438 0.000 2.426 297 M HA 0.291 4.771 4.480 0.000 0.000 0.289 297 M C -0.969 175.623 176.300 0.486 0.000 1.168 297 M CA -0.584 54.988 55.300 0.453 0.000 0.933 297 M CB 1.795 34.579 32.600 0.307 0.000 1.750 297 M HN 0.102 nan 8.290 nan 0.000 0.494 298 S N 3.901 119.868 115.700 0.445 0.000 2.515 298 S HA 0.232 4.702 4.470 0.000 0.000 0.285 298 S C -1.971 172.800 174.600 0.285 0.000 1.265 298 S CA -0.742 57.691 58.200 0.388 0.000 1.079 298 S CB 0.457 63.911 63.200 0.424 0.000 0.877 298 S HN 0.557 nan 8.310 nan 0.000 0.493 299 P HA 0.034 nan 4.420 nan 0.000 0.236 299 P C -0.116 176.908 177.300 -0.459 0.000 1.172 299 P CA 0.963 63.781 63.100 -0.471 0.000 0.759 299 P CB -0.066 30.997 31.700 -1.062 0.000 0.843 300 F N -4.582 115.475 119.950 0.178 0.000 2.688 300 F HA 0.234 4.761 4.527 0.000 0.000 0.310 300 F C 0.989 177.040 175.800 0.417 0.000 1.098 300 F CA -0.865 57.235 58.000 0.167 0.000 1.228 300 F CB -0.269 38.715 39.000 -0.027 0.000 1.042 300 F HN -0.185 nan 8.300 nan 0.000 0.557 301 Y N 1.598 122.098 120.300 0.333 0.000 2.457 301 Y HA 0.482 5.032 4.550 0.000 0.000 0.341 301 Y C 0.646 176.531 175.900 -0.024 0.000 1.240 301 Y CA 0.754 58.952 58.100 0.164 0.000 1.437 301 Y CB 0.447 38.947 38.460 0.066 0.000 1.328 301 Y HN 0.146 nan 8.280 nan 0.000 0.588 302 G N 2.637 111.073 108.800 -0.607 0.000 2.324 302 G HA2 -0.064 3.896 3.960 0.000 0.000 0.293 302 G HA3 -0.064 3.896 3.960 0.000 0.000 0.293 302 G C -0.905 173.497 174.900 -0.831 0.000 1.297 302 G CA -0.521 44.184 45.100 -0.658 0.000 0.853 302 G HN 0.620 nan 8.290 nan 0.000 0.535 303 Y N 0.152 120.127 120.300 -0.542 0.000 2.365 303 Y HA 0.162 4.712 4.550 0.000 0.000 0.293 303 Y C 2.026 177.555 175.900 -0.618 0.000 1.119 303 Y CA -0.129 57.612 58.100 -0.598 0.000 1.203 303 Y CB 0.133 38.455 38.460 -0.229 0.000 1.026 303 Y HN -0.034 nan 8.280 nan 0.000 0.549 304 R N 2.843 122.981 120.500 -0.603 0.000 2.504 304 R HA -0.094 4.246 4.340 0.000 0.000 0.291 304 R C 0.535 176.618 176.300 -0.362 0.000 0.974 304 R CA 0.508 56.238 56.100 -0.616 0.000 1.077 304 R CB 0.067 29.538 30.300 -1.381 0.000 0.926 304 R HN 0.441 nan 8.270 nan 0.000 0.407 305 E N 1.045 121.140 120.200 -0.176 0.000 3.464 305 E HA -0.260 4.090 4.350 0.000 0.000 0.362 305 E C 0.720 177.265 176.600 -0.091 0.000 1.544 305 E CA 2.159 58.517 56.400 -0.068 0.000 1.816 305 E CB -0.898 28.822 29.700 0.034 0.000 1.767 305 E HN 0.844 nan 8.360 nan 0.000 0.458 306 G N -0.004 108.780 108.800 -0.027 0.000 3.782 306 G HA2 0.267 4.228 3.960 0.000 0.000 0.288 306 G HA3 0.267 4.228 3.960 0.000 0.000 0.288 306 G C 0.808 175.691 174.900 -0.028 0.000 1.300 306 G CA 0.572 45.659 45.100 -0.020 0.000 1.261 306 G HN 0.162 nan 8.290 nan 0.000 0.591 307 S N -0.276 115.346 115.700 -0.130 0.000 2.489 307 S HA -0.033 4.437 4.470 0.000 0.000 0.228 307 S C 1.688 176.068 174.600 -0.367 0.000 0.995 307 S CA 0.300 58.421 58.200 -0.132 0.000 0.934 307 S CB -0.211 62.883 63.200 -0.176 0.000 0.771 307 S HN 0.722 nan 8.310 nan 0.000 0.522 308 H N 0.700 119.567 119.070 -0.339 0.000 2.521 308 H HA 0.006 4.562 4.556 0.000 0.000 0.286 308 H C 1.876 177.169 175.328 -0.058 0.000 1.034 308 H CA 1.128 56.934 56.048 -0.403 0.000 1.278 308 H CB 0.045 29.714 29.762 -0.155 0.000 1.386 308 H HN 0.258 nan 8.280 nan 0.000 0.567 309 T N 0.685 115.303 114.554 0.107 0.000 2.962 309 T HA -0.082 4.268 4.350 0.000 0.000 0.270 309 T C 0.851 175.683 174.700 0.218 0.000 1.088 309 T CA 0.606 62.793 62.100 0.145 0.000 1.127 309 T CB 0.039 68.965 68.868 0.097 0.000 0.883 309 T HN 0.317 nan 8.240 nan 0.000 0.493 310 E N 1.203 121.576 120.200 0.288 0.000 2.397 310 E HA 0.115 4.465 4.350 0.000 0.000 0.254 310 E C 0.173 177.107 176.600 0.556 0.000 1.231 310 E CA -0.248 56.416 56.400 0.440 0.000 0.954 310 E CB 0.243 30.254 29.700 0.518 0.000 1.024 310 E HN 0.411 nan 8.360 nan 0.000 0.481 311 H N -0.179 119.084 119.070 0.322 0.000 2.547 311 H HA 0.313 4.869 4.556 0.000 0.000 0.362 311 H C -0.811 174.494 175.328 -0.039 0.000 1.181 311 H CA 0.356 56.499 56.048 0.159 0.000 1.376 311 H CB 1.376 31.209 29.762 0.119 0.000 1.488 311 H HN 0.347 nan 8.280 nan 0.000 0.583 312 T N 1.698 115.556 114.554 -1.160 0.000 2.957 312 T HA 0.241 4.592 4.350 0.000 0.000 0.336 312 T C -0.495 173.717 174.700 -0.812 0.000 1.462 312 T CA -0.422 61.117 62.100 -0.935 0.000 1.073 312 T CB 0.905 69.306 68.868 -0.779 0.000 1.319 312 T HN 0.587 nan 8.240 nan 0.000 0.485 313 S N 1.700 117.071 115.700 -0.547 0.000 2.666 313 S HA 0.330 4.800 4.470 0.000 0.000 0.239 313 S C -0.489 173.837 174.600 -0.457 0.000 1.031 313 S CA -0.232 57.689 58.200 -0.464 0.000 1.015 313 S CB 0.127 63.053 63.200 -0.458 0.000 0.981 313 S HN 0.657 nan 8.310 nan 0.000 0.547 314 Y N 1.795 122.032 120.300 -0.106 0.000 2.458 314 Y HA 0.722 5.272 4.550 0.000 0.000 0.322 314 Y C 0.689 176.584 175.900 -0.009 0.000 1.259 314 Y CA -1.336 56.745 58.100 -0.032 0.000 1.302 314 Y CB 0.316 38.784 38.460 0.013 0.000 1.314 314 Y HN 0.067 nan 8.280 nan 0.000 0.509 315 A N 0.585 123.526 122.820 0.202 0.000 2.386 315 A HA 0.466 4.786 4.320 0.000 0.000 0.248 315 A C 1.347 179.034 177.584 0.172 0.000 1.082 315 A CA 0.096 52.218 52.037 0.141 0.000 0.789 315 A CB -0.209 18.865 19.000 0.122 0.000 1.025 315 A HN 1.036 nan 8.150 nan 0.000 0.490 316 A N 1.105 124.008 122.820 0.137 0.000 2.032 316 A HA -0.161 4.159 4.320 0.000 0.000 0.221 316 A C 1.427 179.111 177.584 0.167 0.000 1.165 316 A CA 1.993 54.130 52.037 0.167 0.000 0.645 316 A CB -0.472 18.597 19.000 0.116 0.000 0.807 316 A HN 0.897 nan 8.150 nan 0.000 0.453 317 D N -1.414 119.064 120.400 0.130 0.000 2.339 317 D HA -0.011 4.629 4.640 0.000 0.000 0.217 317 D C 1.547 177.957 176.300 0.182 0.000 1.050 317 D CA 0.073 54.122 54.000 0.083 0.000 0.856 317 D CB -0.371 40.473 40.800 0.073 0.000 0.922 317 D HN 0.457 nan 8.370 nan 0.000 0.518 318 R N -0.832 119.834 120.500 0.276 0.000 2.240 318 R HA 0.137 4.477 4.340 0.000 0.000 0.203 318 R C -0.099 176.502 176.300 0.501 0.000 1.011 318 R CA 0.140 56.481 56.100 0.403 0.000 1.007 318 R CB 0.214 30.665 30.300 0.251 0.000 0.911 318 R HN 0.159 nan 8.270 nan 0.000 0.468 319 F N 1.387 121.435 119.950 0.164 0.000 2.507 319 F HA 0.418 4.945 4.527 0.000 0.000 0.325 319 F C -1.143 174.627 175.800 -0.049 0.000 1.116 319 F CA -1.043 57.022 58.000 0.109 0.000 0.930 319 F CB 1.181 40.228 39.000 0.079 0.000 1.146 319 F HN -0.407 nan 8.300 nan 0.000 0.447 320 K N 5.370 125.141 120.400 -1.049 0.000 2.443 320 K HA 0.269 4.589 4.320 0.000 0.000 0.252 320 K C -1.489 174.372 176.600 -1.232 0.000 0.933 320 K CA -0.640 55.039 56.287 -1.015 0.000 0.792 320 K CB 2.012 34.102 32.500 -0.683 0.000 1.185 320 K HN 0.825 nan 8.250 nan 0.000 0.425 321 Q N 2.336 121.565 119.800 -0.952 0.000 2.368 321 Q HA 0.371 4.711 4.340 0.000 0.000 0.263 321 Q C -1.119 174.718 176.000 -0.271 0.000 1.009 321 Q CA -0.640 54.791 55.803 -0.620 0.000 0.818 321 Q CB 1.411 29.801 28.738 -0.579 0.000 1.239 321 Q HN 0.307 nan 8.270 nan 0.000 0.464 322 V N 4.188 123.948 119.914 -0.256 0.000 2.427 322 V HA 0.283 4.403 4.120 0.000 0.000 0.286 322 V C -0.067 175.995 176.094 -0.054 0.000 1.034 322 V CA -0.514 61.713 62.300 -0.122 0.000 0.893 322 V CB 1.656 33.422 31.823 -0.096 0.000 0.982 322 V HN 0.798 nan 8.190 nan 0.000 0.452 323 D N 2.594 122.995 120.400 0.001 0.000 2.326 323 D HA 0.480 5.120 4.640 0.000 0.000 0.251 323 D C 0.981 177.321 176.300 0.066 0.000 1.023 323 D CA 0.755 54.767 54.000 0.019 0.000 0.966 323 D CB 1.895 42.693 40.800 -0.003 0.000 1.156 323 D HN 0.856 nan 8.370 nan 0.000 0.494 324 G N 1.537 110.359 108.800 0.036 0.000 2.341 324 G HA2 -0.296 3.664 3.960 0.000 0.000 0.292 324 G HA3 -0.296 3.664 3.960 0.000 0.000 0.292 324 G C 0.168 175.070 174.900 0.003 0.000 1.021 324 G CA 0.354 45.462 45.100 0.013 0.000 0.905 324 G HN 0.364 nan 8.290 nan 0.000 0.508 325 F N 0.743 120.597 119.950 -0.161 0.000 2.456 325 F HA 0.612 5.139 4.527 0.000 0.000 0.358 325 F C 0.088 175.740 175.800 -0.247 0.000 1.095 325 F CA -1.070 56.866 58.000 -0.108 0.000 1.216 325 F CB 0.482 39.437 39.000 -0.076 0.000 1.125 325 F HN 0.120 nan 8.300 nan 0.000 0.549 326 Y N 5.316 125.168 120.300 -0.747 0.000 2.388 326 Y HA 0.562 5.112 4.550 0.000 0.000 0.328 326 Y C 0.181 175.576 175.900 -0.842 0.000 0.963 326 Y CA -0.975 56.789 58.100 -0.560 0.000 1.240 326 Y CB 1.059 39.342 38.460 -0.297 0.000 1.118 326 Y HN 0.767 nan 8.280 nan 0.000 0.484 327 A N 4.544 127.073 122.820 -0.485 0.000 2.362 327 A HA 0.438 4.758 4.320 0.000 0.000 0.276 327 A C 0.139 177.681 177.584 -0.071 0.000 1.153 327 A CA -0.709 51.194 52.037 -0.222 0.000 0.813 327 A CB 0.272 19.407 19.000 0.226 0.000 1.081 327 A HN 0.833 nan 8.150 nan 0.000 0.507 328 R N 3.208 123.667 120.500 -0.069 0.000 2.267 328 R HA 0.090 4.430 4.340 0.000 0.000 0.319 328 R C -0.623 175.649 176.300 -0.048 0.000 1.067 328 R CA -0.503 55.567 56.100 -0.050 0.000 0.936 328 R CB 0.477 30.738 30.300 -0.065 0.000 1.006 328 R HN 0.810 nan 8.270 nan 0.000 0.452 329 D N 4.598 124.977 120.400 -0.034 0.000 2.458 329 D HA -0.061 4.579 4.640 0.000 0.000 0.243 329 D C 1.047 177.260 176.300 -0.145 0.000 1.146 329 D CA 0.180 54.149 54.000 -0.051 0.000 0.877 329 D CB 0.979 41.787 40.800 0.013 0.000 1.176 329 D HN 0.625 nan 8.370 nan 0.000 0.461 330 L N 2.763 123.778 121.223 -0.346 0.000 2.131 330 L HA -0.100 4.240 4.340 0.000 0.000 0.206 330 L C 2.467 179.166 176.870 -0.286 0.000 1.087 330 L CA 0.700 55.191 54.840 -0.582 0.000 0.767 330 L CB -0.294 40.853 42.059 -1.521 0.000 0.917 330 L HN 0.446 nan 8.230 nan 0.000 0.441 331 T N -1.439 113.134 114.554 0.032 0.000 3.055 331 T HA -0.070 4.280 4.350 0.000 0.000 0.265 331 T C 1.667 176.446 174.700 0.132 0.000 1.111 331 T CA 1.563 63.840 62.100 0.294 0.000 1.118 331 T CB -0.021 69.139 68.868 0.488 0.000 0.909 331 T HN 0.529 nan 8.240 nan 0.000 0.501 332 T N -2.216 112.376 114.554 0.064 0.000 2.959 332 T HA 0.303 4.653 4.350 0.000 0.000 0.254 332 T C 1.008 175.713 174.700 0.007 0.000 1.003 332 T CA 0.014 62.138 62.100 0.041 0.000 0.950 332 T CB 0.084 68.979 68.868 0.045 0.000 1.090 332 T HN 0.370 nan 8.240 nan 0.000 0.503 333 K N 0.162 120.549 120.400 -0.021 0.000 3.606 333 K HA -0.169 4.151 4.320 0.000 0.000 0.289 333 K C 0.867 177.449 176.600 -0.030 0.000 1.221 333 K CA 0.599 56.864 56.287 -0.037 0.000 1.028 333 K CB -2.455 30.029 32.500 -0.026 0.000 1.299 333 K HN 0.687 nan 8.250 nan 0.000 0.454 334 A N 1.767 124.578 122.820 -0.015 0.000 2.387 334 A HA 0.351 4.671 4.320 0.000 0.000 0.251 334 A C 0.358 177.932 177.584 -0.016 0.000 1.113 334 A CA 0.410 52.441 52.037 -0.010 0.000 0.794 334 A CB 0.291 19.295 19.000 0.007 0.000 1.069 334 A HN 0.345 nan 8.150 nan 0.000 0.506 335 R N -0.738 119.754 120.500 -0.013 0.000 2.803 335 R HA 0.587 4.927 4.340 0.000 0.000 0.276 335 R C -0.159 176.161 176.300 0.034 0.000 0.978 335 R CA -0.252 55.841 56.100 -0.012 0.000 0.939 335 R CB 1.619 31.889 30.300 -0.050 0.000 1.179 335 R HN 1.019 nan 8.270 nan 0.000 0.472 336 A N 1.600 124.468 122.820 0.080 0.000 2.466 336 A HA 0.152 4.472 4.320 0.000 0.000 0.238 336 A C 0.598 178.330 177.584 0.247 0.000 1.074 336 A CA 0.035 52.159 52.037 0.145 0.000 0.774 336 A CB 0.534 19.603 19.000 0.116 0.000 1.015 336 A HN 0.904 nan 8.150 nan 0.000 0.498 337 T N 1.050 115.715 114.554 0.185 0.000 2.901 337 T HA 0.310 4.660 4.350 0.000 0.000 0.252 337 T C 1.019 175.907 174.700 0.314 0.000 1.035 337 T CA 1.244 63.459 62.100 0.191 0.000 1.142 337 T CB -0.116 68.813 68.868 0.102 0.000 0.869 337 T HN 1.006 nan 8.240 nan 0.000 0.442 338 A N 2.770 125.685 122.820 0.157 0.000 2.312 338 A HA 0.664 4.984 4.320 0.000 0.000 0.328 338 A C -2.613 174.771 177.584 -0.334 0.000 1.158 338 A CA -1.858 50.203 52.037 0.040 0.000 0.821 338 A CB 0.611 19.622 19.000 0.018 0.000 1.170 338 A HN 0.125 nan 8.150 nan 0.000 0.490 339 P HA 0.355 nan 4.420 nan 0.000 0.285 339 P C -0.335 176.814 177.300 -0.252 0.000 1.259 339 P CA 0.124 62.799 63.100 -0.708 0.000 0.794 339 P CB 1.323 32.786 31.700 -0.394 0.000 0.940 340 T N -1.368 113.092 114.554 -0.157 0.000 2.907 340 T HA 0.462 4.812 4.350 0.000 0.000 0.290 340 T C -0.270 174.457 174.700 0.045 0.000 1.066 340 T CA -0.655 61.444 62.100 -0.002 0.000 1.012 340 T CB 0.625 69.522 68.868 0.049 0.000 1.184 340 T HN 0.170 nan 8.240 nan 0.000 0.522 341 T N 2.185 116.781 114.554 0.070 0.000 2.875 341 T HA 0.431 4.781 4.350 0.000 0.000 0.307 341 T C 0.009 174.686 174.700 -0.038 0.000 1.013 341 T CA -0.465 61.657 62.100 0.037 0.000 0.970 341 T CB -0.036 68.897 68.868 0.109 0.000 0.986 341 T HN 0.539 nan 8.240 nan 0.000 0.536 342 R N 3.352 123.762 120.500 -0.150 0.000 2.265 342 R HA 0.343 4.683 4.340 0.000 0.000 0.314 342 R C -0.490 175.568 176.300 -0.403 0.000 1.053 342 R CA -0.409 55.488 56.100 -0.338 0.000 0.931 342 R CB 0.086 29.944 30.300 -0.737 0.000 1.024 342 R HN 0.340 nan 8.270 nan 0.000 0.457 343 N N 3.433 121.813 118.700 -0.535 0.000 2.430 343 N HA 0.445 5.185 4.740 0.000 0.000 0.292 343 N C -1.372 173.871 175.510 -0.444 0.000 1.051 343 N CA -0.358 52.370 53.050 -0.537 0.000 0.917 343 N CB 1.271 39.097 38.487 -1.100 0.000 1.164 343 N HN 0.298 nan 8.380 nan 0.000 0.484 344 L N 1.883 123.053 121.223 -0.088 0.000 2.439 344 L HA 0.491 4.831 4.340 0.000 0.000 0.270 344 L C -1.278 175.846 176.870 0.424 0.000 0.972 344 L CA -0.526 54.396 54.840 0.136 0.000 0.836 344 L CB 1.730 43.807 42.059 0.030 0.000 1.255 344 L HN 0.336 nan 8.230 nan 0.000 0.404 345 L N 2.317 123.841 121.223 0.501 0.000 2.356 345 L HA 0.687 5.027 4.340 0.000 0.000 0.277 345 L C -0.261 176.709 176.870 0.167 0.000 0.996 345 L CA 0.187 55.261 54.840 0.392 0.000 0.822 345 L CB 2.070 44.305 42.059 0.293 0.000 1.256 345 L HN 0.563 nan 8.230 nan 0.000 0.413 346 T N 3.564 118.164 114.554 0.076 0.000 2.794 346 T HA 0.370 4.720 4.350 0.000 0.000 0.304 346 T C 0.270 174.883 174.700 -0.145 0.000 0.973 346 T CA -0.190 61.834 62.100 -0.127 0.000 0.972 346 T CB -0.050 68.580 68.868 -0.398 0.000 0.952 346 T HN 0.797 nan 8.240 nan 0.000 0.509 347 T N 1.633 116.030 114.554 -0.262 0.000 2.899 347 T HA 0.324 4.674 4.350 0.000 0.000 0.284 347 T C -1.769 172.800 174.700 -0.219 0.000 1.004 347 T CA -2.110 59.809 62.100 -0.303 0.000 1.043 347 T CB 1.039 69.525 68.868 -0.636 0.000 1.013 347 T HN 0.029 nan 8.240 nan 0.000 0.518 348 P HA -0.060 nan 4.420 nan 0.000 0.220 348 P C 0.978 178.236 177.300 -0.070 0.000 1.144 348 P CA 1.238 64.318 63.100 -0.033 0.000 0.800 348 P CB 0.115 31.822 31.700 0.011 0.000 0.772 349 K N -2.740 117.549 120.400 -0.185 0.000 2.387 349 K HA 0.188 4.508 4.320 0.000 0.000 0.197 349 K C 0.564 177.143 176.600 -0.035 0.000 1.127 349 K CA 0.381 56.596 56.287 -0.121 0.000 0.950 349 K CB 0.546 33.017 32.500 -0.048 0.000 1.017 349 K HN 0.200 nan 8.250 nan 0.000 0.519 350 F N -1.438 118.490 119.950 -0.037 0.000 2.789 350 F HA 0.539 5.066 4.527 0.000 0.000 0.319 350 F C -1.138 174.695 175.800 0.055 0.000 1.168 350 F CA -1.106 56.909 58.000 0.024 0.000 0.934 350 F CB 1.154 40.146 39.000 -0.015 0.000 1.375 350 F HN -0.419 nan 8.300 nan 0.000 0.480 351 T N 1.529 116.394 114.554 0.519 0.000 2.848 351 T HA 0.604 4.954 4.350 0.000 0.000 0.285 351 T C -1.607 173.459 174.700 0.610 0.000 0.995 351 T CA -0.664 61.671 62.100 0.392 0.000 0.970 351 T CB 1.683 70.653 68.868 0.169 0.000 0.976 351 T HN 0.813 nan 8.240 nan 0.000 0.441 352 V N 2.561 122.830 119.914 0.592 0.000 2.495 352 V HA 0.908 5.029 4.120 0.000 0.000 0.298 352 V C -0.772 175.792 176.094 0.783 0.000 1.031 352 V CA -0.542 62.141 62.300 0.638 0.000 0.871 352 V CB 1.104 33.263 31.823 0.560 0.000 0.988 352 V HN 1.123 nan 8.190 nan 0.000 0.432 353 A N 6.395 129.668 122.820 0.755 0.000 2.380 353 A HA 1.067 5.387 4.320 0.000 0.000 0.315 353 A C -1.109 176.955 177.584 0.800 0.000 1.101 353 A CA -0.342 52.073 52.037 0.630 0.000 0.771 353 A CB 1.305 20.489 19.000 0.306 0.000 1.287 353 A HN 1.856 nan 8.150 nan 0.000 0.436 354 W N 0.161 121.566 121.300 0.175 0.000 2.881 354 W HA 0.598 5.258 4.660 0.000 0.000 0.380 354 W C -1.978 174.599 176.519 0.096 0.000 1.170 354 W CA -0.714 56.725 57.345 0.157 0.000 1.171 354 W CB 0.475 30.056 29.460 0.203 0.000 1.464 354 W HN 0.467 nan 8.180 nan 0.000 0.574 355 D N 0.940 121.426 120.400 0.144 0.000 2.177 355 D HA 0.168 4.808 4.640 0.000 0.000 0.247 355 D C -1.252 175.068 176.300 0.033 0.000 1.063 355 D CA 0.112 54.130 54.000 0.031 0.000 0.867 355 D CB 1.265 42.128 40.800 0.105 0.000 1.168 355 D HN 0.518 nan 8.370 nan 0.000 0.445 356 W N 3.571 124.773 121.300 -0.164 0.000 2.316 356 W HA 0.426 5.086 4.660 0.000 0.000 0.311 356 W C -0.814 175.707 176.519 0.005 0.000 1.217 356 W CA -0.488 56.801 57.345 -0.095 0.000 1.199 356 W CB 0.637 30.016 29.460 -0.135 0.000 1.202 356 W HN 0.169 nan 8.180 nan 0.000 0.528 357 V N 4.184 123.587 119.914 -0.851 0.000 2.925 357 V HA 0.645 4.765 4.120 0.000 0.000 0.311 357 V C -2.607 172.793 176.094 -1.157 0.000 1.104 357 V CA -3.178 58.595 62.300 -0.877 0.000 0.954 357 V CB 1.403 33.045 31.823 -0.300 0.000 1.022 357 V HN 0.505 nan 8.190 nan 0.000 0.427 358 P HA 0.088 nan 4.420 nan 0.000 0.264 358 P C 0.486 177.385 177.300 -0.668 0.000 1.179 358 P CA 0.235 62.933 63.100 -0.671 0.000 0.763 358 P CB 0.662 32.135 31.700 -0.378 0.000 0.806 359 K N 3.729 123.668 120.400 -0.768 0.000 1.965 359 K HA -0.169 4.151 4.320 0.000 0.000 0.214 359 K C 1.875 177.944 176.600 -0.884 0.000 1.046 359 K CA 1.359 56.816 56.287 -1.382 0.000 0.944 359 K CB -0.145 31.788 32.500 -0.945 0.000 0.726 359 K HN 0.227 nan 8.250 nan 0.000 0.441 360 R N 0.039 120.240 120.500 -0.497 0.000 2.112 360 R HA -0.157 4.183 4.340 0.000 0.000 0.242 360 R C -0.701 175.426 176.300 -0.288 0.000 1.137 360 R CA 2.043 57.949 56.100 -0.324 0.000 0.944 360 R CB -1.395 28.782 30.300 -0.205 0.000 0.857 360 R HN 0.357 nan 8.270 nan 0.000 0.435 361 P HA 0.036 nan 4.420 nan 0.000 0.229 361 P C 0.613 177.801 177.300 -0.185 0.000 1.160 361 P CA 1.146 64.133 63.100 -0.188 0.000 0.777 361 P CB 0.300 31.904 31.700 -0.161 0.000 0.814 362 S N -1.278 114.245 115.700 -0.294 0.000 2.483 362 S HA 0.120 4.590 4.470 0.000 0.000 0.221 362 S C 0.948 175.400 174.600 -0.247 0.000 1.030 362 S CA 0.130 58.203 58.200 -0.212 0.000 0.925 362 S CB -0.138 62.955 63.200 -0.179 0.000 0.795 362 S HN 0.023 nan 8.310 nan 0.000 0.511 363 V N -2.071 117.609 119.914 -0.390 0.000 3.141 363 V HA 0.900 5.020 4.120 0.000 0.000 0.312 363 V C -0.612 175.383 176.094 -0.165 0.000 1.157 363 V CA -1.170 60.927 62.300 -0.339 0.000 1.041 363 V CB 1.398 32.810 31.823 -0.686 0.000 1.071 363 V HN 0.166 nan 8.190 nan 0.000 0.441 364 c N 0.704 119.284 118.600 -0.033 0.000 3.303 364 c HA 0.662 5.232 4.570 0.000 0.000 0.340 364 c C 1.231 175.369 174.090 0.080 0.000 1.274 364 c CA 0.567 56.904 56.329 0.012 0.000 1.234 364 c CB 1.395 43.898 42.510 -0.011 0.000 1.532 364 c HN 1.424 nan 8.230 nan 0.000 0.483 365 T N 0.265 114.835 114.554 0.028 0.000 3.086 365 T HA 0.310 4.660 4.350 0.000 0.000 0.250 365 T C 0.466 175.144 174.700 -0.038 0.000 1.074 365 T CA 0.144 62.229 62.100 -0.025 0.000 0.988 365 T CB -0.024 68.773 68.868 -0.118 0.000 0.988 365 T HN 0.510 nan 8.240 nan 0.000 0.530 366 M N 1.747 121.341 119.600 -0.011 0.000 2.724 366 M HA 0.528 5.008 4.480 0.000 0.000 0.310 366 M C -0.973 175.413 176.300 0.144 0.000 1.217 366 M CA -0.445 54.874 55.300 0.031 0.000 0.894 366 M CB 2.001 34.571 32.600 -0.049 0.000 1.719 366 M HN -0.058 nan 8.290 nan 0.000 0.479 367 T N 1.424 116.125 114.554 0.245 0.000 2.965 367 T HA 0.253 4.603 4.350 0.000 0.000 0.306 367 T C -0.356 174.550 174.700 0.343 0.000 0.991 367 T CA -0.754 61.505 62.100 0.265 0.000 1.001 367 T CB 1.348 70.311 68.868 0.158 0.000 0.984 367 T HN 0.567 nan 8.240 nan 0.000 0.446 368 K N 2.393 122.984 120.400 0.318 0.000 2.466 368 K HA -0.049 4.271 4.320 0.000 0.000 0.278 368 K C 0.012 176.640 176.600 0.047 0.000 1.048 368 K CA 0.237 56.461 56.287 -0.105 0.000 1.088 368 K CB 0.355 32.831 32.500 -0.041 0.000 0.884 368 K HN 0.698 nan 8.250 nan 0.000 0.478 369 W N 3.599 124.760 121.300 -0.232 0.000 3.008 369 W HA 0.143 4.803 4.660 0.000 0.000 0.259 369 W C -0.215 176.251 176.519 -0.089 0.000 1.045 369 W CA 0.565 57.858 57.345 -0.087 0.000 1.814 369 W CB 0.649 30.107 29.460 -0.003 0.000 1.089 369 W HN 0.463 nan 8.180 nan 0.000 0.606 370 Q N 1.102 120.757 119.800 -0.242 0.000 2.397 370 Q HA 0.262 4.602 4.340 0.000 0.000 0.275 370 Q C -1.395 174.464 176.000 -0.234 0.000 1.090 370 Q CA -0.499 55.060 55.803 -0.407 0.000 0.809 370 Q CB 2.030 30.406 28.738 -0.604 0.000 1.362 370 Q HN 0.173 nan 8.270 nan 0.000 0.431 371 E N 1.334 121.417 120.200 -0.196 0.000 2.055 371 E HA 0.352 4.702 4.350 0.000 0.000 0.274 371 E C -0.803 175.744 176.600 -0.088 0.000 0.949 371 E CA -0.411 55.919 56.400 -0.117 0.000 0.775 371 E CB 1.563 31.210 29.700 -0.087 0.000 1.097 371 E HN 0.145 nan 8.360 nan 0.000 0.404 372 V N 4.379 124.268 119.914 -0.043 0.000 2.333 372 V HA 0.011 4.131 4.120 0.000 0.000 0.274 372 V C 0.384 176.506 176.094 0.047 0.000 1.028 372 V CA -0.360 61.938 62.300 -0.004 0.000 0.851 372 V CB 1.125 32.967 31.823 0.032 0.000 1.000 372 V HN 0.624 nan 8.190 nan 0.000 0.456 373 D N 2.769 123.198 120.400 0.048 0.000 2.097 373 D HA -0.105 4.535 4.640 0.000 0.000 0.195 373 D C 1.049 177.461 176.300 0.187 0.000 0.989 373 D CA 1.379 55.450 54.000 0.118 0.000 0.827 373 D CB 0.352 41.192 40.800 0.067 0.000 0.966 373 D HN 0.703 nan 8.370 nan 0.000 0.456 374 E N -0.225 120.055 120.200 0.133 0.000 2.593 374 E HA 0.229 4.579 4.350 0.000 0.000 0.232 374 E C -1.195 175.475 176.600 0.118 0.000 1.026 374 E CA -0.496 55.976 56.400 0.120 0.000 0.772 374 E CB 0.431 30.211 29.700 0.133 0.000 1.310 374 E HN -0.116 nan 8.360 nan 0.000 0.413 375 M N 4.809 124.526 119.600 0.195 0.000 2.144 375 M HA 0.361 4.841 4.480 0.000 0.000 0.356 375 M C -1.685 174.781 176.300 0.277 0.000 1.217 375 M CA -0.348 55.106 55.300 0.256 0.000 1.087 375 M CB 0.625 33.440 32.600 0.358 0.000 1.609 375 M HN 0.390 nan 8.290 nan 0.000 0.467 376 L N 5.109 126.424 121.223 0.154 0.000 2.312 376 L HA 0.599 4.939 4.340 0.000 0.000 0.281 376 L C 0.017 176.893 176.870 0.011 0.000 1.070 376 L CA -0.588 54.315 54.840 0.104 0.000 0.805 376 L CB 1.191 43.251 42.059 0.002 0.000 1.174 376 L HN 0.691 nan 8.230 nan 0.000 0.434 377 R N 2.026 122.508 120.500 -0.030 0.000 2.561 377 R HA 0.634 4.974 4.340 0.000 0.000 0.297 377 R C -1.201 175.087 176.300 -0.020 0.000 0.969 377 R CA -0.292 55.623 56.100 -0.308 0.000 0.879 377 R CB 2.030 31.870 30.300 -0.767 0.000 1.178 377 R HN 0.837 nan 8.270 nan 0.000 0.445 378 S N 1.965 117.663 115.700 -0.003 0.000 2.569 378 S HA 0.409 4.879 4.470 0.000 0.000 0.280 378 S C -1.051 173.589 174.600 0.066 0.000 1.111 378 S CA -1.093 57.115 58.200 0.014 0.000 0.887 378 S CB 2.072 65.189 63.200 -0.138 0.000 1.095 378 S HN 0.642 nan 8.310 nan 0.000 0.476 379 E N 0.849 121.058 120.200 0.016 0.000 2.146 379 E HA 0.421 4.771 4.350 0.000 0.000 0.282 379 E C -1.806 174.786 176.600 -0.014 0.000 0.989 379 E CA -0.406 55.936 56.400 -0.097 0.000 0.799 379 E CB 1.156 30.782 29.700 -0.124 0.000 1.088 379 E HN 0.606 nan 8.360 nan 0.000 0.397 380 Y N 0.830 121.019 120.300 -0.185 0.000 2.298 380 Y HA 0.336 4.886 4.550 0.000 0.000 0.322 380 Y C 0.390 176.226 175.900 -0.107 0.000 1.138 380 Y CA 0.010 58.038 58.100 -0.121 0.000 1.127 380 Y CB 1.610 40.022 38.460 -0.081 0.000 1.178 380 Y HN 0.711 nan 8.280 nan 0.000 0.428 381 G N 3.183 111.809 108.800 -0.289 0.000 2.246 381 G HA2 0.012 3.972 3.960 0.000 0.000 0.273 381 G HA3 0.012 3.972 3.960 0.000 0.000 0.273 381 G C 0.944 175.780 174.900 -0.106 0.000 1.055 381 G CA 0.716 45.713 45.100 -0.172 0.000 0.851 381 G HN 2.101 nan 8.290 nan 0.000 0.500 382 G N -2.316 106.391 108.800 -0.155 0.000 2.198 382 G HA2 0.056 4.016 3.960 0.000 0.000 0.260 382 G HA3 0.056 4.016 3.960 0.000 0.000 0.260 382 G C 0.365 175.161 174.900 -0.173 0.000 1.025 382 G CA 0.968 45.975 45.100 -0.154 0.000 0.769 382 G HN 1.813 nan 8.290 nan 0.000 0.507 383 S N -1.598 113.973 115.700 -0.216 0.000 2.732 383 S HA 0.872 5.342 4.470 0.000 0.000 0.293 383 S C -1.061 173.326 174.600 -0.354 0.000 1.159 383 S CA -0.750 57.341 58.200 -0.181 0.000 0.847 383 S CB 1.594 64.805 63.200 0.019 0.000 1.169 383 S HN 0.306 nan 8.310 nan 0.000 0.501 384 F N 1.191 121.143 119.950 0.003 0.000 2.522 384 F HA 0.561 5.088 4.527 0.000 0.000 0.324 384 F C 0.508 176.235 175.800 -0.122 0.000 1.077 384 F CA -0.767 57.129 58.000 -0.173 0.000 0.944 384 F CB 1.471 40.239 39.000 -0.387 0.000 1.175 384 F HN 0.245 nan 8.300 nan 0.000 0.468 385 R N 2.886 123.380 120.500 -0.010 0.000 2.335 385 R HA 0.329 4.669 4.340 0.000 0.000 0.302 385 R C -1.600 174.656 176.300 -0.074 0.000 1.147 385 R CA -0.460 55.664 56.100 0.039 0.000 1.111 385 R CB 0.429 30.773 30.300 0.074 0.000 1.122 385 R HN 0.401 nan 8.270 nan 0.000 0.557 386 F N 1.329 121.357 119.950 0.132 0.000 2.439 386 F HA 0.183 4.710 4.527 0.000 0.000 0.356 386 F C 0.569 176.458 175.800 0.148 0.000 1.161 386 F CA 0.074 58.119 58.000 0.075 0.000 1.151 386 F CB 0.889 39.926 39.000 0.061 0.000 1.222 386 F HN 0.215 nan 8.300 nan 0.000 0.558 387 S N 1.618 117.456 115.700 0.231 0.000 2.549 387 S HA 0.584 5.054 4.470 0.000 0.000 0.297 387 S C -0.285 174.397 174.600 0.138 0.000 1.115 387 S CA -0.884 57.447 58.200 0.217 0.000 1.059 387 S CB 1.845 65.227 63.200 0.304 0.000 1.046 387 S HN 0.451 nan 8.310 nan 0.000 0.506 388 S N 1.071 116.768 115.700 -0.005 0.000 2.721 388 S HA 0.264 4.734 4.470 0.000 0.000 0.264 388 S C -0.257 174.180 174.600 -0.273 0.000 1.161 388 S CA -0.734 57.416 58.200 -0.083 0.000 1.113 388 S CB 0.328 63.481 63.200 -0.078 0.000 1.079 388 S HN 0.556 nan 8.310 nan 0.000 0.479 389 D N 3.236 123.568 120.400 -0.113 0.000 2.265 389 D HA -0.027 4.613 4.640 0.000 0.000 0.208 389 D C 1.997 178.173 176.300 -0.208 0.000 0.977 389 D CA 1.517 55.439 54.000 -0.130 0.000 0.871 389 D CB -0.018 40.804 40.800 0.037 0.000 0.925 389 D HN 0.626 nan 8.370 nan 0.000 0.485 390 A N 1.206 123.921 122.820 -0.174 0.000 1.824 390 A HA -0.115 4.205 4.320 0.000 0.000 0.215 390 A C 2.100 179.546 177.584 -0.230 0.000 1.209 390 A CA 1.440 53.380 52.037 -0.162 0.000 0.614 390 A CB -0.914 18.013 19.000 -0.122 0.000 0.852 390 A HN 0.374 nan 8.150 nan 0.000 0.447 391 I N -1.490 118.920 120.570 -0.266 0.000 3.444 391 I HA 0.097 4.267 4.170 0.000 0.000 0.287 391 I C 0.642 176.499 176.117 -0.434 0.000 1.302 391 I CA 0.779 61.902 61.300 -0.295 0.000 1.368 391 I CB -0.831 37.007 38.000 -0.269 0.000 1.048 391 I HN 0.456 nan 8.210 nan 0.000 0.487 392 S N 1.314 116.610 115.700 -0.674 0.000 3.484 392 S HA -0.183 4.287 4.470 0.000 0.000 0.384 392 S C 0.251 174.146 174.600 -1.175 0.000 0.932 392 S CA 0.711 58.117 58.200 -1.323 0.000 1.293 392 S CB -2.946 59.805 63.200 -0.748 0.000 0.919 392 S HN 0.965 nan 8.310 nan 0.000 0.540 393 T N -1.734 112.222 114.554 -0.996 0.000 2.952 393 T HA 0.709 5.059 4.350 0.000 0.000 0.305 393 T C -0.626 173.807 174.700 -0.445 0.000 1.064 393 T CA -0.492 61.216 62.100 -0.653 0.000 1.008 393 T CB 2.222 70.712 68.868 -0.631 0.000 1.078 393 T HN 0.405 nan 8.240 nan 0.000 0.459 394 T N 3.168 117.519 114.554 -0.338 0.000 2.809 394 T HA 0.609 4.959 4.350 0.000 0.000 0.284 394 T C -0.960 173.565 174.700 -0.291 0.000 0.992 394 T CA -0.387 61.645 62.100 -0.112 0.000 0.957 394 T CB 0.320 69.269 68.868 0.135 0.000 0.942 394 T HN 0.529 nan 8.240 nan 0.000 0.439 395 F N 1.529 121.556 119.950 0.129 0.000 2.432 395 F HA 0.582 5.109 4.527 0.000 0.000 0.329 395 F C 1.055 177.022 175.800 0.278 0.000 1.076 395 F CA -0.675 57.426 58.000 0.168 0.000 1.018 395 F CB 1.729 40.827 39.000 0.163 0.000 1.201 395 F HN 0.334 nan 8.300 nan 0.000 0.489 396 T N 0.580 115.423 114.554 0.482 0.000 2.841 396 T HA 0.615 4.965 4.350 0.000 0.000 0.283 396 T C -0.480 174.456 174.700 0.394 0.000 1.000 396 T CA -0.763 61.566 62.100 0.382 0.000 0.977 396 T CB 1.750 70.786 68.868 0.280 0.000 0.979 396 T HN 0.774 nan 8.240 nan 0.000 0.446 397 T N 1.370 116.151 114.554 0.378 0.000 2.802 397 T HA 0.418 4.768 4.350 0.000 0.000 0.311 397 T C -1.172 173.717 174.700 0.313 0.000 1.405 397 T CA -0.893 61.426 62.100 0.365 0.000 1.016 397 T CB 1.153 70.287 68.868 0.443 0.000 1.352 397 T HN 0.360 nan 8.240 nan 0.000 0.498 398 N N 1.162 120.040 118.700 0.297 0.000 2.371 398 N HA 0.244 4.984 4.740 0.000 0.000 0.243 398 N C 1.327 177.034 175.510 0.329 0.000 1.287 398 N CA -0.352 52.841 53.050 0.238 0.000 0.911 398 N CB 0.344 38.967 38.487 0.226 0.000 1.142 398 N HN 0.604 nan 8.380 nan 0.000 0.451 399 L N 0.043 121.372 121.223 0.176 0.000 2.552 399 L HA 0.001 4.341 4.340 0.000 0.000 0.227 399 L C 0.498 177.679 176.870 0.518 0.000 1.146 399 L CA 0.728 55.715 54.840 0.244 0.000 0.858 399 L CB -0.404 41.643 42.059 -0.021 0.000 0.969 399 L HN 0.347 nan 8.230 nan 0.000 0.451 400 T N -0.058 114.752 114.554 0.426 0.000 2.806 400 T HA 0.170 4.520 4.350 0.000 0.000 0.290 400 T C 0.269 175.216 174.700 0.413 0.000 0.966 400 T CA -0.545 61.772 62.100 0.361 0.000 1.060 400 T CB 1.859 70.857 68.868 0.217 0.000 0.927 400 T HN 0.081 nan 8.240 nan 0.000 0.485 401 E N 0.959 121.261 120.200 0.170 0.000 2.435 401 E HA 0.090 4.440 4.350 0.000 0.000 0.256 401 E C -1.138 175.477 176.600 0.025 0.000 1.245 401 E CA -0.145 56.108 56.400 -0.245 0.000 0.989 401 E CB 0.452 29.944 29.700 -0.347 0.000 0.983 401 E HN 0.593 nan 8.360 nan 0.000 0.480 402 Y N 1.339 121.565 120.300 -0.123 0.000 2.341 402 Y HA 0.320 4.870 4.550 0.000 0.000 0.338 402 Y C -2.297 173.571 175.900 -0.053 0.000 0.965 402 Y CA -2.558 55.525 58.100 -0.029 0.000 1.108 402 Y CB 1.400 39.868 38.460 0.014 0.000 1.180 402 Y HN 0.262 nan 8.280 nan 0.000 0.458 403 P HA 0.192 nan 4.420 nan 0.000 0.282 403 P C 0.396 177.472 177.300 -0.372 0.000 1.262 403 P CA 0.011 62.889 63.100 -0.370 0.000 0.773 403 P CB 1.049 32.540 31.700 -0.348 0.000 0.879 404 L N 1.805 122.890 121.223 -0.229 0.000 2.275 404 L HA -0.150 4.190 4.340 0.000 0.000 0.215 404 L C 2.049 178.823 176.870 -0.162 0.000 1.119 404 L CA 1.466 56.187 54.840 -0.198 0.000 0.790 404 L CB -0.742 41.154 42.059 -0.272 0.000 0.919 404 L HN 0.412 nan 8.230 nan 0.000 0.443 405 S N -0.401 115.200 115.700 -0.165 0.000 2.500 405 S HA -0.203 4.267 4.470 0.000 0.000 0.239 405 S C 1.885 176.413 174.600 -0.121 0.000 0.989 405 S CA 0.607 58.732 58.200 -0.125 0.000 0.951 405 S CB -0.356 62.777 63.200 -0.112 0.000 0.759 405 S HN 0.441 nan 8.310 nan 0.000 0.523 406 R N 0.692 121.088 120.500 -0.172 0.000 2.388 406 R HA 0.332 4.672 4.340 0.000 0.000 0.247 406 R C -0.849 175.434 176.300 -0.027 0.000 0.931 406 R CA -0.030 55.987 56.100 -0.138 0.000 1.082 406 R CB 0.240 30.360 30.300 -0.301 0.000 1.135 406 R HN 0.282 nan 8.270 nan 0.000 0.525 407 V N 1.015 120.912 119.914 -0.028 0.000 2.483 407 V HA 0.137 4.257 4.120 0.000 0.000 0.295 407 V C -0.336 175.752 176.094 -0.009 0.000 1.035 407 V CA -0.931 61.370 62.300 0.002 0.000 0.896 407 V CB 1.743 33.552 31.823 -0.022 0.000 0.986 407 V HN 0.054 nan 8.190 nan 0.000 0.447 408 D N 4.965 125.371 120.400 0.011 0.000 2.339 408 D HA 0.330 4.970 4.640 0.000 0.000 0.241 408 D C 0.222 176.549 176.300 0.046 0.000 1.183 408 D CA 0.002 54.033 54.000 0.051 0.000 0.859 408 D CB 0.377 41.245 40.800 0.113 0.000 1.067 408 D HN 0.566 nan 8.370 nan 0.000 0.484 409 L N 3.233 124.471 121.223 0.024 0.000 3.546 409 L HA -0.196 4.144 4.340 0.000 0.000 0.668 409 L C 0.697 177.539 176.870 -0.046 0.000 1.139 409 L CA 0.464 55.300 54.840 -0.006 0.000 1.122 409 L CB -0.941 41.151 42.059 0.056 0.000 1.545 409 L HN 0.635 nan 8.230 nan 0.000 0.851 410 G N -0.015 108.734 108.800 -0.086 0.000 4.637 410 G HA2 0.393 4.353 3.960 0.000 0.000 0.294 410 G HA3 0.393 4.353 3.960 0.000 0.000 0.294 410 G C 0.423 175.231 174.900 -0.154 0.000 1.215 410 G CA -0.135 44.885 45.100 -0.133 0.000 0.943 410 G HN 0.463 nan 8.290 nan 0.000 0.572 411 D N 0.255 120.580 120.400 -0.125 0.000 2.103 411 D HA -0.112 4.528 4.640 0.000 0.000 0.199 411 D C 2.825 179.063 176.300 -0.103 0.000 0.978 411 D CA 1.563 55.495 54.000 -0.115 0.000 0.829 411 D CB -0.222 40.514 40.800 -0.107 0.000 0.981 411 D HN 0.452 nan 8.370 nan 0.000 0.464 412 c N 0.598 119.146 118.600 -0.087 0.000 2.411 412 c HA -0.071 4.499 4.570 0.000 0.000 0.279 412 c C 2.626 176.686 174.090 -0.050 0.000 1.288 412 c CA -0.213 56.094 56.329 -0.037 0.000 1.764 412 c CB -1.508 41.005 42.510 0.004 0.000 1.974 412 c HN 0.223 nan 8.230 nan 0.000 0.498 413 I N 2.379 122.821 120.570 -0.214 0.000 2.052 413 I HA -0.130 4.040 4.170 0.000 0.000 0.235 413 I C 3.093 179.119 176.117 -0.151 0.000 1.046 413 I CA 2.177 63.201 61.300 -0.460 0.000 1.308 413 I CB -1.387 36.224 38.000 -0.648 0.000 1.031 413 I HN 0.482 nan 8.210 nan 0.000 0.395 414 G N 0.667 109.382 108.800 -0.141 0.000 2.446 414 G HA2 -0.325 3.635 3.960 0.000 0.000 0.217 414 G HA3 -0.325 3.635 3.960 0.000 0.000 0.217 414 G C 1.700 176.641 174.900 0.068 0.000 1.168 414 G CA 1.181 46.279 45.100 -0.003 0.000 0.771 414 G HN 0.362 nan 8.290 nan 0.000 0.551 415 K N 0.309 120.728 120.400 0.032 0.000 2.009 415 K HA -0.158 4.162 4.320 0.000 0.000 0.210 415 K C 2.095 178.754 176.600 0.099 0.000 1.049 415 K CA 1.862 58.180 56.287 0.051 0.000 0.929 415 K CB -0.256 32.259 32.500 0.025 0.000 0.714 415 K HN 0.153 nan 8.250 nan 0.000 0.440 416 D N 0.275 120.763 120.400 0.147 0.000 2.178 416 D HA -0.120 4.520 4.640 0.000 0.000 0.201 416 D C 1.675 178.116 176.300 0.235 0.000 0.980 416 D CA 1.230 55.355 54.000 0.208 0.000 0.842 416 D CB -0.142 40.853 40.800 0.326 0.000 0.948 416 D HN 0.402 nan 8.370 nan 0.000 0.472 417 A N 0.866 123.864 122.820 0.295 0.000 1.841 417 A HA -0.160 4.160 4.320 0.000 0.000 0.214 417 A C 2.160 179.836 177.584 0.153 0.000 1.195 417 A CA 1.235 53.438 52.037 0.277 0.000 0.611 417 A CB -0.381 18.838 19.000 0.365 0.000 0.835 417 A HN 0.077 nan 8.150 nan 0.000 0.443 418 R N -0.287 120.289 120.500 0.126 0.000 2.075 418 R HA -0.145 4.195 4.340 0.000 0.000 0.230 418 R C 1.826 178.165 176.300 0.065 0.000 1.140 418 R CA 1.717 57.864 56.100 0.077 0.000 0.928 418 R CB -0.740 29.598 30.300 0.062 0.000 0.834 418 R HN 0.444 nan 8.270 nan 0.000 0.429 419 D N 0.176 120.616 120.400 0.066 0.000 2.239 419 D HA -0.185 4.455 4.640 0.000 0.000 0.202 419 D C 1.594 177.928 176.300 0.056 0.000 0.993 419 D CA 1.629 55.663 54.000 0.055 0.000 0.874 419 D CB -0.074 40.758 40.800 0.053 0.000 0.922 419 D HN 0.372 nan 8.370 nan 0.000 0.464 420 A N -0.363 122.496 122.820 0.064 0.000 1.871 420 A HA 0.017 4.337 4.320 0.000 0.000 0.211 420 A C 2.146 179.767 177.584 0.061 0.000 1.207 420 A CA 0.576 52.646 52.037 0.054 0.000 0.620 420 A CB -0.369 18.659 19.000 0.046 0.000 0.860 420 A HN 0.070 nan 8.150 nan 0.000 0.450 421 M N 0.124 119.764 119.600 0.067 0.000 2.080 421 M HA -0.178 4.302 4.480 0.000 0.000 0.260 421 M C 1.373 177.734 176.300 0.101 0.000 1.068 421 M CA 1.757 57.101 55.300 0.073 0.000 1.109 421 M CB -0.648 31.976 32.600 0.041 0.000 1.342 421 M HN 0.342 nan 8.290 nan 0.000 0.405 422 D N -0.329 120.114 120.400 0.072 0.000 2.221 422 D HA -0.175 4.465 4.640 0.000 0.000 0.204 422 D C 1.897 178.268 176.300 0.118 0.000 0.982 422 D CA 1.110 55.159 54.000 0.082 0.000 0.857 422 D CB -0.455 40.373 40.800 0.046 0.000 0.934 422 D HN 0.418 nan 8.370 nan 0.000 0.475 423 R N 0.395 120.950 120.500 0.091 0.000 2.119 423 R HA 0.033 4.373 4.340 0.000 0.000 0.222 423 R C 2.222 178.569 176.300 0.078 0.000 1.088 423 R CA 0.532 56.676 56.100 0.073 0.000 0.984 423 R CB -0.003 30.325 30.300 0.047 0.000 0.884 423 R HN 0.123 nan 8.270 nan 0.000 0.447 424 I N -0.056 120.575 120.570 0.101 0.000 2.339 424 I HA -0.157 4.013 4.170 0.000 0.000 0.245 424 I C 2.043 178.246 176.117 0.144 0.000 1.096 424 I CA 0.656 62.011 61.300 0.093 0.000 1.408 424 I CB -0.343 37.719 38.000 0.104 0.000 1.092 424 I HN 0.130 nan 8.210 nan 0.000 0.423 425 F N 2.266 122.271 119.950 0.091 0.000 2.154 425 F HA -0.296 4.231 4.527 0.000 0.000 0.301 425 F C 2.427 178.280 175.800 0.089 0.000 1.087 425 F CA 1.704 59.788 58.000 0.142 0.000 1.274 425 F CB -0.121 38.930 39.000 0.085 0.000 1.009 425 F HN 0.008 nan 8.300 nan 0.000 0.485 426 A N 0.412 123.355 122.820 0.206 0.000 1.929 426 A HA -0.143 4.177 4.320 0.000 0.000 0.216 426 A C 2.319 179.873 177.584 -0.049 0.000 1.176 426 A CA 1.411 53.500 52.037 0.085 0.000 0.628 426 A CB -0.792 18.289 19.000 0.134 0.000 0.816 426 A HN 0.490 nan 8.150 nan 0.000 0.444 427 R N -0.969 119.501 120.500 -0.050 0.000 2.081 427 R HA -0.076 4.264 4.340 0.000 0.000 0.235 427 R C 2.320 178.510 176.300 -0.183 0.000 1.131 427 R CA 1.849 57.892 56.100 -0.094 0.000 0.960 427 R CB -0.147 30.108 30.300 -0.075 0.000 0.856 427 R HN 0.506 nan 8.270 nan 0.000 0.436 428 R N -1.631 118.688 120.500 -0.302 0.000 2.215 428 R HA 0.052 4.392 4.340 0.000 0.000 0.190 428 R C 0.736 176.709 176.300 -0.545 0.000 0.968 428 R CA 0.152 55.957 56.100 -0.493 0.000 1.122 428 R CB 0.326 30.159 30.300 -0.778 0.000 1.151 428 R HN 0.229 nan 8.270 nan 0.000 0.582 429 Y N 1.491 121.580 120.300 -0.353 0.000 2.532 429 Y HA 0.094 4.644 4.550 0.000 0.000 0.283 429 Y C 1.225 176.640 175.900 -0.808 0.000 1.181 429 Y CA -0.056 57.758 58.100 -0.477 0.000 1.256 429 Y CB 0.158 38.329 38.460 -0.481 0.000 1.112 429 Y HN 0.338 nan 8.280 nan 0.000 0.521 430 N N 0.695 119.060 118.700 -0.559 0.000 2.396 430 N HA -0.122 4.618 4.740 0.000 0.000 0.180 430 N C 1.366 176.788 175.510 -0.147 0.000 1.028 430 N CA 1.348 54.149 53.050 -0.416 0.000 0.893 430 N CB -0.068 38.328 38.487 -0.151 0.000 0.967 430 N HN 0.154 nan 8.380 nan 0.000 0.440 431 A N -1.094 121.659 122.820 -0.112 0.000 2.382 431 A HA 0.235 4.555 4.320 0.000 0.000 0.228 431 A C 1.815 179.386 177.584 -0.022 0.000 1.217 431 A CA 0.612 52.623 52.037 -0.043 0.000 0.923 431 A CB -0.233 18.742 19.000 -0.041 0.000 0.979 431 A HN 0.487 nan 8.150 nan 0.000 0.515 432 T N -3.174 111.385 114.554 0.007 0.000 3.114 432 T HA 0.289 4.639 4.350 0.000 0.000 0.240 432 T C 0.701 175.350 174.700 -0.085 0.000 0.983 432 T CA 0.428 62.537 62.100 0.014 0.000 1.151 432 T CB -0.260 68.713 68.868 0.174 0.000 0.974 432 T HN 0.323 nan 8.240 nan 0.000 0.442 433 H N 1.181 120.260 119.070 0.014 0.000 2.676 433 H HA 0.756 5.312 4.556 0.000 0.000 0.352 433 H C -0.560 174.839 175.328 0.117 0.000 1.193 433 H CA -1.086 54.976 56.048 0.022 0.000 1.243 433 H CB 1.384 31.123 29.762 -0.039 0.000 1.751 433 H HN 0.535 nan 8.280 nan 0.000 0.567 434 I N -2.474 118.238 120.570 0.237 0.000 2.769 434 I HA 0.444 4.614 4.170 0.000 0.000 0.298 434 I C -0.670 175.496 176.117 0.081 0.000 1.128 434 I CA -1.146 60.291 61.300 0.228 0.000 1.031 434 I CB 1.747 39.759 38.000 0.019 0.000 1.235 434 I HN 0.278 nan 8.210 nan 0.000 0.423 435 K N 2.763 123.147 120.400 -0.027 0.000 2.494 435 K HA 0.363 4.683 4.320 0.000 0.000 0.273 435 K C -0.846 175.702 176.600 -0.088 0.000 0.970 435 K CA -0.147 56.065 56.287 -0.125 0.000 0.963 435 K CB 0.678 33.029 32.500 -0.248 0.000 0.913 435 K HN 0.512 nan 8.250 nan 0.000 0.502 436 V N 2.460 122.337 119.914 -0.062 0.000 2.320 436 V HA 0.332 4.452 4.120 0.000 0.000 0.268 436 V C 0.254 176.306 176.094 -0.071 0.000 1.021 436 V CA -0.208 62.095 62.300 0.004 0.000 0.813 436 V CB 0.255 32.082 31.823 0.006 0.000 1.054 436 V HN 1.104 nan 8.190 nan 0.000 0.444 437 G N 3.934 112.694 108.800 -0.066 0.000 2.860 437 G HA2 -0.135 3.825 3.960 0.000 0.000 0.553 437 G HA3 -0.135 3.825 3.960 0.000 0.000 0.553 437 G C -0.484 174.371 174.900 -0.076 0.000 1.439 437 G CA -0.757 44.246 45.100 -0.162 0.000 0.879 437 G HN 0.544 nan 8.290 nan 0.000 0.545 438 Q N 0.041 119.808 119.800 -0.054 0.000 2.492 438 Q HA 0.372 4.712 4.340 0.000 0.000 0.238 438 Q C -1.909 174.040 176.000 -0.084 0.000 1.045 438 Q CA -1.137 54.640 55.803 -0.044 0.000 0.934 438 Q CB -0.334 28.403 28.738 -0.002 0.000 1.276 438 Q HN 0.437 nan 8.270 nan 0.000 0.521 439 P HA -0.021 nan 4.420 nan 0.000 0.267 439 P C -0.755 176.338 177.300 -0.345 0.000 1.201 439 P CA 0.461 63.425 63.100 -0.226 0.000 0.775 439 P CB 0.462 32.031 31.700 -0.220 0.000 0.854 440 Q N 0.788 120.326 119.800 -0.436 0.000 2.433 440 Q HA 0.577 4.917 4.340 0.000 0.000 0.279 440 Q C -1.246 174.387 176.000 -0.611 0.000 1.105 440 Q CA -0.589 54.989 55.803 -0.375 0.000 0.815 440 Q CB 1.881 30.612 28.738 -0.012 0.000 1.403 440 Q HN 0.389 nan 8.270 nan 0.000 0.435 441 Y N 0.333 120.536 120.300 -0.162 0.000 2.346 441 Y HA 0.482 5.032 4.550 0.000 0.000 0.332 441 Y C -1.206 174.540 175.900 -0.257 0.000 0.985 441 Y CA -0.760 57.282 58.100 -0.096 0.000 1.112 441 Y CB 1.139 39.579 38.460 -0.033 0.000 1.170 441 Y HN 0.505 nan 8.280 nan 0.000 0.447 442 Y N 2.055 122.440 120.300 0.141 0.000 2.562 442 Y HA 0.599 5.149 4.550 0.000 0.000 0.343 442 Y C -0.882 175.040 175.900 0.036 0.000 1.025 442 Y CA -1.360 56.817 58.100 0.128 0.000 1.082 442 Y CB 1.791 40.302 38.460 0.085 0.000 1.264 442 Y HN 0.489 nan 8.280 nan 0.000 0.478 443 L N 2.493 123.847 121.223 0.218 0.000 2.262 443 L HA 0.769 5.109 4.340 0.000 0.000 0.288 443 L C -0.353 176.593 176.870 0.127 0.000 1.035 443 L CA -0.373 54.471 54.840 0.005 0.000 0.820 443 L CB 0.008 41.970 42.059 -0.161 0.000 1.204 443 L HN 0.685 nan 8.230 nan 0.000 0.424 444 A N 4.203 127.093 122.820 0.116 0.000 2.309 444 A HA 0.440 4.760 4.320 0.000 0.000 0.298 444 A C -0.019 177.766 177.584 0.334 0.000 1.165 444 A CA -0.636 51.548 52.037 0.246 0.000 0.821 444 A CB -0.006 19.106 19.000 0.186 0.000 1.102 444 A HN 0.858 nan 8.150 nan 0.000 0.500 445 N N 0.763 119.682 118.700 0.365 0.000 2.292 445 N HA 0.304 5.044 4.740 0.000 0.000 0.258 445 N C 1.088 176.883 175.510 0.474 0.000 1.261 445 N CA 1.405 54.648 53.050 0.321 0.000 0.845 445 N CB 0.301 38.959 38.487 0.285 0.000 1.064 445 N HN 1.185 nan 8.380 nan 0.000 0.471 446 G N 1.093 110.045 108.800 0.254 0.000 2.179 446 G HA2 -0.123 3.837 3.960 0.000 0.000 0.220 446 G HA3 -0.123 3.837 3.960 0.000 0.000 0.220 446 G C 0.611 175.455 174.900 -0.094 0.000 0.990 446 G CA 0.010 45.280 45.100 0.283 0.000 0.646 446 G HN 1.273 nan 8.290 nan 0.000 0.517 447 G N -0.800 107.969 108.800 -0.051 0.000 2.289 447 G HA2 -0.047 3.913 3.960 0.000 0.000 0.280 447 G HA3 -0.047 3.913 3.960 0.000 0.000 0.280 447 G C -0.077 174.553 174.900 -0.450 0.000 1.089 447 G CA 0.287 45.229 45.100 -0.262 0.000 0.939 447 G HN 1.273 nan 8.290 nan 0.000 0.499 448 F N -0.241 119.687 119.950 -0.036 0.000 2.325 448 F HA 0.531 5.058 4.527 0.000 0.000 0.369 448 F C 0.565 176.276 175.800 -0.149 0.000 1.095 448 F CA -1.257 56.686 58.000 -0.094 0.000 1.082 448 F CB 1.404 40.317 39.000 -0.146 0.000 1.289 448 F HN 0.184 nan 8.300 nan 0.000 0.462 449 L N 5.273 126.528 121.223 0.054 0.000 2.490 449 L HA 0.322 4.662 4.340 0.000 0.000 0.274 449 L C -0.495 176.453 176.870 0.130 0.000 1.201 449 L CA 0.326 55.212 54.840 0.077 0.000 0.869 449 L CB 0.002 42.128 42.059 0.111 0.000 1.123 449 L HN 0.440 nan 8.230 nan 0.000 0.484 450 I N 5.811 126.409 120.570 0.048 0.000 2.439 450 I HA 0.413 4.583 4.170 0.000 0.000 0.283 450 I C -0.128 176.033 176.117 0.073 0.000 1.023 450 I CA -0.696 60.565 61.300 -0.065 0.000 1.100 450 I CB 1.504 39.204 38.000 -0.500 0.000 1.238 450 I HN 0.777 nan 8.210 nan 0.000 0.445 451 A N 6.516 129.443 122.820 0.177 0.000 2.302 451 A HA 0.484 4.804 4.320 0.000 0.000 0.295 451 A C -1.306 176.307 177.584 0.049 0.000 1.235 451 A CA 0.021 52.085 52.037 0.045 0.000 0.876 451 A CB 0.100 19.240 19.000 0.234 0.000 1.133 451 A HN 0.620 nan 8.150 nan 0.000 0.533 452 Y N 1.626 121.827 120.300 -0.166 0.000 2.346 452 Y HA 0.479 5.029 4.550 0.000 0.000 0.332 452 Y C -0.252 175.607 175.900 -0.069 0.000 0.985 452 Y CA -0.528 57.541 58.100 -0.052 0.000 1.112 452 Y CB 1.892 40.396 38.460 0.073 0.000 1.170 452 Y HN 0.715 nan 8.280 nan 0.000 0.447 453 Q N 8.473 127.993 119.800 -0.466 0.000 2.372 453 Q HA 0.495 4.835 4.340 0.000 0.000 0.259 453 Q C -2.691 172.971 176.000 -0.564 0.000 0.993 453 Q CA -2.329 53.238 55.803 -0.394 0.000 0.854 453 Q CB 1.424 30.014 28.738 -0.247 0.000 1.231 453 Q HN 0.370 nan 8.270 nan 0.000 0.462 454 P HA 0.049 nan 4.420 nan 0.000 0.269 454 P C -1.086 176.103 177.300 -0.185 0.000 1.209 454 P CA 0.294 63.230 63.100 -0.273 0.000 0.776 454 P CB 0.612 32.267 31.700 -0.075 0.000 0.876 455 L N 1.828 122.973 121.223 -0.129 0.000 2.350 455 L HA 0.661 5.002 4.340 0.000 0.000 0.260 455 L C -0.684 176.220 176.870 0.056 0.000 1.015 455 L CA -1.046 53.766 54.840 -0.048 0.000 0.821 455 L CB 1.911 43.875 42.059 -0.158 0.000 1.370 455 L HN 0.200 nan 8.230 nan 0.000 0.416 456 L N 0.389 121.671 121.223 0.097 0.000 2.388 456 L HA 0.594 4.934 4.340 0.000 0.000 0.264 456 L C -0.393 176.481 176.870 0.007 0.000 0.998 456 L CA 0.021 54.906 54.840 0.074 0.000 0.817 456 L CB 2.342 44.396 42.059 -0.007 0.000 1.338 456 L HN 0.583 nan 8.230 nan 0.000 0.414 457 S N 1.932 117.568 115.700 -0.106 0.000 2.554 457 S HA 0.320 4.790 4.470 0.000 0.000 0.278 457 S C 0.912 175.401 174.600 -0.184 0.000 1.242 457 S CA -0.514 57.466 58.200 -0.367 0.000 1.051 457 S CB 0.609 63.592 63.200 -0.363 0.000 0.986 457 S HN 0.742 nan 8.310 nan 0.000 0.502 458 N N 2.924 121.514 118.700 -0.184 0.000 2.137 458 N HA -0.115 4.625 4.740 0.000 0.000 0.190 458 N C 1.591 177.065 175.510 -0.060 0.000 1.017 458 N CA 1.820 54.816 53.050 -0.091 0.000 0.859 458 N CB -1.010 37.432 38.487 -0.074 0.000 1.002 458 N HN 0.652 nan 8.380 nan 0.000 0.428 459 T N 0.988 115.498 114.554 -0.073 0.000 2.643 459 T HA -0.068 4.282 4.350 0.000 0.000 0.264 459 T C 1.972 176.661 174.700 -0.019 0.000 1.045 459 T CA 1.784 63.862 62.100 -0.038 0.000 1.155 459 T CB -0.699 68.148 68.868 -0.036 0.000 0.863 459 T HN 0.353 nan 8.240 nan 0.000 0.420 460 L N 0.983 122.193 121.223 -0.022 0.000 2.672 460 L HA 0.798 5.138 4.340 0.000 0.000 0.236 460 L C 1.618 178.496 176.870 0.013 0.000 1.186 460 L CA 0.363 55.206 54.840 0.005 0.000 0.977 460 L CB -1.938 40.131 42.059 0.017 0.000 1.203 460 L HN 0.453 nan 8.230 nan 0.000 0.448 461 A N -0.230 122.591 122.820 0.001 0.000 3.046 461 A HA 0.454 4.774 4.320 0.000 0.000 0.259 461 A C 1.256 178.875 177.584 0.058 0.000 1.843 461 A CA 0.316 52.363 52.037 0.017 0.000 1.451 461 A CB -0.499 18.498 19.000 -0.005 0.000 1.025 461 A HN 0.692 nan 8.150 nan 0.000 0.625 462 E N -0.250 119.993 120.200 0.072 0.000 2.406 462 E HA 0.061 4.411 4.350 0.000 0.000 0.204 462 E C 1.566 178.229 176.600 0.105 0.000 0.820 462 E CA 0.957 57.404 56.400 0.079 0.000 1.136 462 E CB -0.625 29.107 29.700 0.053 0.000 1.129 462 E HN 0.631 nan 8.360 nan 0.000 0.530 463 L N 1.600 122.889 121.223 0.111 0.000 2.672 463 L HA 0.230 4.570 4.340 0.000 0.000 0.236 463 L C 1.971 178.965 176.870 0.207 0.000 1.186 463 L CA 0.306 55.221 54.840 0.126 0.000 0.977 463 L CB -1.785 40.335 42.059 0.102 0.000 1.203 463 L HN 0.047 nan 8.230 nan 0.000 0.448 464 Y N 0.313 120.647 120.300 0.057 0.000 2.081 464 Y HA -0.267 4.283 4.550 0.000 0.000 0.280 464 Y C 2.310 178.262 175.900 0.087 0.000 1.163 464 Y CA 2.551 60.696 58.100 0.074 0.000 1.135 464 Y CB -0.622 37.865 38.460 0.045 0.000 0.970 464 Y HN 0.188 nan 8.280 nan 0.000 0.498 465 V N 0.367 120.327 119.914 0.076 0.000 2.261 465 V HA -0.304 3.816 4.120 0.000 0.000 0.246 465 V C 2.942 179.078 176.094 0.069 0.000 1.047 465 V CA 3.033 65.303 62.300 -0.049 0.000 1.015 465 V CB -1.640 30.142 31.823 -0.067 0.000 0.642 465 V HN 0.432 nan 8.190 nan 0.000 0.446 466 R N 0.225 120.779 120.500 0.089 0.000 2.070 466 R HA -0.177 4.164 4.340 0.000 0.000 0.233 466 R C 2.300 178.674 176.300 0.122 0.000 1.137 466 R CA 2.576 58.730 56.100 0.090 0.000 0.945 466 R CB -1.655 28.690 30.300 0.075 0.000 0.845 466 R HN 0.710 nan 8.270 nan 0.000 0.430 467 E N 0.100 120.392 120.200 0.154 0.000 2.106 467 E HA -0.192 4.158 4.350 0.000 0.000 0.192 467 E C 1.913 178.621 176.600 0.179 0.000 0.984 467 E CA 1.390 57.883 56.400 0.154 0.000 0.806 467 E CB -0.909 28.882 29.700 0.151 0.000 0.750 467 E HN 0.947 nan 8.360 nan 0.000 0.458 468 H N -0.062 119.099 119.070 0.152 0.000 2.353 468 H HA -0.066 4.490 4.556 0.000 0.000 0.298 468 H C 2.387 177.769 175.328 0.090 0.000 1.103 468 H CA 3.148 59.285 56.048 0.147 0.000 1.293 468 H CB -0.265 29.574 29.762 0.128 0.000 1.372 468 H HN 0.417 nan 8.280 nan 0.000 0.501 469 L N 0.076 121.421 121.223 0.204 0.000 2.093 469 L HA 0.047 4.387 4.340 0.000 0.000 0.208 469 L C 2.813 179.734 176.870 0.086 0.000 1.085 469 L CA 2.451 57.369 54.840 0.130 0.000 0.755 469 L CB -2.308 39.816 42.059 0.108 0.000 0.904 469 L HN 0.665 nan 8.230 nan 0.000 0.435 470 R N 0.075 120.630 120.500 0.092 0.000 2.120 470 R HA -0.107 4.233 4.340 0.000 0.000 0.234 470 R C 1.785 178.142 176.300 0.095 0.000 1.123 470 R CA 1.406 57.561 56.100 0.093 0.000 0.975 470 R CB -1.004 29.355 30.300 0.098 0.000 0.866 470 R HN 0.777 nan 8.270 nan 0.000 0.446 471 E N 0.367 120.604 120.200 0.062 0.000 2.368 471 E HA 0.051 4.401 4.350 0.000 0.000 0.188 471 E C 0.249 176.862 176.600 0.021 0.000 1.061 471 E CA 0.212 56.643 56.400 0.051 0.000 0.933 471 E CB 0.705 30.411 29.700 0.010 0.000 1.091 471 E HN 0.760 nan 8.360 nan 0.000 0.458 472 Q N -1.065 118.756 119.800 0.036 0.000 2.081 472 Q HA 0.070 4.410 4.340 0.000 0.000 0.220 472 Q C 1.277 177.316 176.000 0.064 0.000 0.775 472 Q CA 0.098 55.920 55.803 0.032 0.000 0.983 472 Q CB 0.824 29.566 28.738 0.007 0.000 1.188 472 Q HN 0.126 nan 8.270 nan 0.000 0.458 473 S N -0.554 115.200 115.700 0.090 0.000 2.561 473 S HA 0.001 4.471 4.470 0.000 0.000 0.225 473 S C 1.895 176.570 174.600 0.124 0.000 0.977 473 S CA 0.619 58.878 58.200 0.098 0.000 0.926 473 S CB -0.105 63.157 63.200 0.104 0.000 0.769 473 S HN 0.388 nan 8.310 nan 0.000 0.533 474 R N 1.207 121.797 120.500 0.150 0.000 2.223 474 R HA 0.444 4.784 4.340 0.000 0.000 0.198 474 R C 1.321 177.672 176.300 0.086 0.000 0.984 474 R CA 0.995 57.206 56.100 0.184 0.000 1.018 474 R CB -1.700 28.791 30.300 0.318 0.000 0.945 474 R HN 0.700 nan 8.270 nan 0.000 0.479 475 K N 3.150 123.582 120.400 0.054 0.000 2.367 475 K HA 0.286 4.606 4.320 0.000 0.000 0.275 475 K C -2.223 174.388 176.600 0.018 0.000 1.125 475 K CA -0.816 55.483 56.287 0.020 0.000 1.133 475 K CB -0.993 31.521 32.500 0.022 0.000 0.875 475 K HN 0.465 nan 8.250 nan 0.000 0.467 476 P HA 0.211 nan 4.420 nan 0.000 0.269 476 P C -1.834 175.459 177.300 -0.012 0.000 1.215 476 P CA -0.943 62.153 63.100 -0.007 0.000 0.780 476 P CB -0.159 31.516 31.700 -0.042 0.000 0.898 493 E N 4.287 124.506 120.200 0.032 0.000 2.343 493 E HA 0.610 4.960 4.350 0.000 0.000 0.278 493 E C -1.035 175.579 176.600 0.023 0.000 0.910 493 E CA -0.736 55.687 56.400 0.037 0.000 0.757 493 E CB 1.954 31.683 29.700 0.049 0.000 1.218 493 E HN 0.525 nan 8.360 nan 0.000 0.435 494 R N 2.689 123.179 120.500 -0.016 0.000 2.560 494 R HA 0.433 4.773 4.340 0.000 0.000 0.270 494 R C -0.177 176.078 176.300 -0.075 0.000 1.074 494 R CA -0.605 55.445 56.100 -0.084 0.000 1.140 494 R CB 0.548 30.746 30.300 -0.171 0.000 1.073 494 R HN 0.535 nan 8.270 nan 0.000 0.527 495 I N 2.596 123.098 120.570 -0.113 0.000 2.441 495 I HA 0.304 4.474 4.170 0.000 0.000 0.295 495 I C -0.003 176.017 176.117 -0.161 0.000 0.994 495 I CA -0.957 60.263 61.300 -0.134 0.000 1.144 495 I CB 1.557 39.455 38.000 -0.170 0.000 1.314 495 I HN 0.179 nan 8.210 nan 0.000 0.445 496 K N 4.291 124.594 120.400 -0.162 0.000 2.182 496 K HA 0.623 4.943 4.320 0.000 0.000 0.262 496 K C -0.485 175.969 176.600 -0.243 0.000 0.957 496 K CA -0.559 55.624 56.287 -0.173 0.000 0.842 496 K CB 1.836 34.259 32.500 -0.128 0.000 1.099 496 K HN 0.507 nan 8.250 nan 0.000 0.438 497 T N 0.931 115.316 114.554 -0.282 0.000 2.848 497 T HA 0.197 4.548 4.350 0.000 0.000 0.285 497 T C 0.284 174.807 174.700 -0.294 0.000 0.995 497 T CA -0.490 61.346 62.100 -0.439 0.000 0.970 497 T CB 1.944 70.459 68.868 -0.590 0.000 0.976 497 T HN 0.536 nan 8.240 nan 0.000 0.441 498 T N 1.024 115.437 114.554 -0.235 0.000 2.652 498 T HA 0.166 4.516 4.350 0.000 0.000 0.319 498 T C 1.258 175.945 174.700 -0.023 0.000 1.029 498 T CA -0.109 61.946 62.100 -0.075 0.000 0.990 498 T CB 0.224 69.093 68.868 0.003 0.000 1.098 498 T HN 0.497 nan 8.240 nan 0.000 0.520 499 S N -0.023 115.697 115.700 0.033 0.000 2.524 499 S HA 0.174 4.644 4.470 0.000 0.000 0.222 499 S C 0.522 175.189 174.600 0.111 0.000 1.040 499 S CA -0.110 58.116 58.200 0.043 0.000 0.915 499 S CB 0.382 63.595 63.200 0.021 0.000 0.831 499 S HN 0.832 nan 8.310 nan 0.000 0.492 500 S N 1.845 117.637 115.700 0.153 0.000 2.399 500 S HA 0.399 4.870 4.470 0.000 0.000 0.301 500 S C 0.342 175.151 174.600 0.348 0.000 1.093 500 S CA -0.548 57.769 58.200 0.194 0.000 1.077 500 S CB 0.655 63.947 63.200 0.154 0.000 0.980 500 S HN 0.173 nan 8.310 nan 0.000 0.494 501 I N 2.916 123.620 120.570 0.223 0.000 3.684 501 I HA 0.070 4.240 4.170 0.000 0.000 0.304 501 I C 1.802 177.853 176.117 -0.109 0.000 1.278 501 I CA -0.004 61.337 61.300 0.068 0.000 1.272 501 I CB -0.556 37.449 38.000 0.008 0.000 1.029 501 I HN 0.828 nan 8.210 nan 0.000 0.458 502 E N 0.832 121.068 120.200 0.060 0.000 2.097 502 E HA -0.344 4.006 4.350 0.000 0.000 0.196 502 E C 2.078 178.653 176.600 -0.042 0.000 1.000 502 E CA 2.287 58.691 56.400 0.007 0.000 0.804 502 E CB -1.433 28.305 29.700 0.062 0.000 0.740 502 E HN 0.609 nan 8.360 nan 0.000 0.454 503 F N 1.191 121.119 119.950 -0.036 0.000 2.120 503 F HA -0.114 4.413 4.527 0.000 0.000 0.300 503 F C 2.355 178.117 175.800 -0.064 0.000 1.095 503 F CA 1.051 59.027 58.000 -0.039 0.000 1.249 503 F CB -0.638 38.355 39.000 -0.012 0.000 0.995 503 F HN 0.108 nan 8.300 nan 0.000 0.480 504 A N 1.410 123.440 122.820 -1.317 0.000 1.897 504 A HA -0.058 4.262 4.320 0.000 0.000 0.215 504 A C 2.355 179.647 177.584 -0.486 0.000 1.181 504 A CA 1.050 52.476 52.037 -1.017 0.000 0.620 504 A CB -0.590 17.551 19.000 -1.432 0.000 0.821 504 A HN 0.370 nan 8.150 nan 0.000 0.443 505 R N -0.127 120.137 120.500 -0.394 0.000 2.083 505 R HA -0.125 4.216 4.340 0.000 0.000 0.237 505 R C 2.092 178.368 176.300 -0.040 0.000 1.137 505 R CA 1.469 57.452 56.100 -0.195 0.000 0.951 505 R CB -1.123 29.086 30.300 -0.152 0.000 0.851 505 R HN 0.558 nan 8.270 nan 0.000 0.434 506 L N 0.699 121.888 121.223 -0.056 0.000 1.970 506 L HA -0.249 4.091 4.340 0.000 0.000 0.212 506 L C 2.798 179.699 176.870 0.053 0.000 1.071 506 L CA 1.503 56.344 54.840 0.003 0.000 0.751 506 L CB -0.629 41.420 42.059 -0.017 0.000 0.889 506 L HN 0.124 nan 8.230 nan 0.000 0.432 507 Q N -0.005 119.804 119.800 0.015 0.000 2.012 507 Q HA -0.309 4.032 4.340 0.000 0.000 0.211 507 Q C 2.023 178.095 176.000 0.119 0.000 1.009 507 Q CA 2.530 58.372 55.803 0.065 0.000 0.866 507 Q CB -0.731 28.012 28.738 0.009 0.000 0.945 507 Q HN 0.389 nan 8.270 nan 0.000 0.414 508 F N 0.283 120.188 119.950 -0.076 0.000 2.043 508 F HA -0.320 4.207 4.527 0.000 0.000 0.297 508 F C 2.097 177.886 175.800 -0.017 0.000 1.118 508 F CA 2.491 60.451 58.000 -0.065 0.000 1.202 508 F CB -1.015 37.874 39.000 -0.184 0.000 0.965 508 F HN 0.127 nan 8.300 nan 0.000 0.482 509 T N -0.234 114.370 114.554 0.084 0.000 2.635 509 T HA -0.345 4.005 4.350 0.000 0.000 0.267 509 T C 1.598 176.266 174.700 -0.053 0.000 1.040 509 T CA 2.034 64.119 62.100 -0.024 0.000 1.156 509 T CB -1.059 67.864 68.868 0.091 0.000 0.863 509 T HN 0.589 nan 8.240 nan 0.000 0.430 510 Y N 2.543 122.793 120.300 -0.084 0.000 2.114 510 Y HA -0.270 4.280 4.550 0.000 0.000 0.282 510 Y C 2.245 178.088 175.900 -0.095 0.000 1.165 510 Y CA 1.647 59.705 58.100 -0.071 0.000 1.148 510 Y CB -0.287 38.146 38.460 -0.046 0.000 0.972 510 Y HN 0.163 nan 8.280 nan 0.000 0.504 511 N N -0.507 118.123 118.700 -0.117 0.000 2.022 511 N HA -0.209 4.531 4.740 0.000 0.000 0.194 511 N C 1.828 177.183 175.510 -0.258 0.000 1.057 511 N CA 1.981 54.904 53.050 -0.212 0.000 0.849 511 N CB -1.190 37.237 38.487 -0.101 0.000 1.044 511 N HN 0.480 nan 8.380 nan 0.000 0.424 512 H N 0.216 119.015 119.070 -0.452 0.000 2.400 512 H HA -0.102 4.454 4.556 0.000 0.000 0.295 512 H C 2.003 177.170 175.328 -0.270 0.000 1.118 512 H CA 1.265 57.063 56.048 -0.416 0.000 1.256 512 H CB -0.029 29.340 29.762 -0.656 0.000 1.365 512 H HN 0.205 nan 8.280 nan 0.000 0.502 513 I N 0.289 120.763 120.570 -0.160 0.000 2.206 513 I HA -0.260 3.910 4.170 0.000 0.000 0.239 513 I C 2.821 178.845 176.117 -0.155 0.000 1.078 513 I CA 0.889 62.109 61.300 -0.133 0.000 1.367 513 I CB -0.420 37.502 38.000 -0.129 0.000 1.078 513 I HN 0.243 nan 8.210 nan 0.000 0.413 514 Q N 1.126 120.742 119.800 -0.307 0.000 2.103 514 Q HA -0.336 4.004 4.340 0.000 0.000 0.213 514 Q C 2.301 178.180 176.000 -0.201 0.000 1.008 514 Q CA 2.351 57.947 55.803 -0.345 0.000 0.879 514 Q CB -0.016 28.374 28.738 -0.580 0.000 0.946 514 Q HN 0.254 nan 8.270 nan 0.000 0.413 515 R N -0.190 120.198 120.500 -0.186 0.000 2.103 515 R HA -0.169 4.171 4.340 0.000 0.000 0.234 515 R C 2.411 178.665 176.300 -0.076 0.000 1.132 515 R CA 2.016 58.038 56.100 -0.130 0.000 0.925 515 R CB -1.340 28.872 30.300 -0.146 0.000 0.842 515 R HN 0.516 nan 8.270 nan 0.000 0.430 516 H N 0.236 119.224 119.070 -0.137 0.000 2.321 516 H HA -0.135 4.421 4.556 0.000 0.000 0.295 516 H C 1.848 177.124 175.328 -0.086 0.000 1.102 516 H CA 2.231 58.220 56.048 -0.099 0.000 1.266 516 H CB -0.035 29.673 29.762 -0.090 0.000 1.363 516 H HN 0.013 nan 8.280 nan 0.000 0.492 517 V N 1.865 121.775 119.914 -0.008 0.000 2.214 517 V HA -0.328 3.792 4.120 0.000 0.000 0.245 517 V C 2.391 178.424 176.094 -0.103 0.000 1.047 517 V CA 2.216 64.485 62.300 -0.052 0.000 0.998 517 V CB -0.609 31.186 31.823 -0.048 0.000 0.633 517 V HN 0.526 nan 8.190 nan 0.000 0.446 518 N N 0.105 118.747 118.700 -0.096 0.000 2.104 518 N HA -0.202 4.538 4.740 0.000 0.000 0.190 518 N C 1.639 177.092 175.510 -0.095 0.000 1.024 518 N CA 1.770 54.768 53.050 -0.086 0.000 0.853 518 N CB -0.690 37.752 38.487 -0.075 0.000 1.008 518 N HN 0.581 nan 8.380 nan 0.000 0.424 519 D N 0.443 120.773 120.400 -0.117 0.000 2.104 519 D HA -0.123 4.517 4.640 0.000 0.000 0.194 519 D C 1.857 178.071 176.300 -0.143 0.000 0.994 519 D CA 1.070 54.997 54.000 -0.122 0.000 0.830 519 D CB 0.019 40.736 40.800 -0.139 0.000 0.959 519 D HN 0.018 nan 8.370 nan 0.000 0.452 520 M N -0.083 119.390 119.600 -0.213 0.000 2.064 520 M HA -0.073 4.407 4.480 0.000 0.000 0.260 520 M C 2.625 178.856 176.300 -0.115 0.000 1.073 520 M CA 0.934 56.117 55.300 -0.195 0.000 1.124 520 M CB -1.332 31.107 32.600 -0.269 0.000 1.326 520 M HN 0.132 nan 8.290 nan 0.000 0.410 521 L N -0.328 120.832 121.223 -0.105 0.000 2.021 521 L HA -0.210 4.130 4.340 0.000 0.000 0.215 521 L C 2.659 179.491 176.870 -0.064 0.000 1.074 521 L CA 1.629 56.420 54.840 -0.081 0.000 0.760 521 L CB -1.698 40.315 42.059 -0.077 0.000 0.889 521 L HN 0.428 nan 8.230 nan 0.000 0.433 522 G N -0.117 108.648 108.800 -0.059 0.000 2.514 522 G HA2 -0.279 3.682 3.960 0.000 0.000 0.217 522 G HA3 -0.279 3.682 3.960 0.000 0.000 0.217 522 G C 1.667 176.553 174.900 -0.024 0.000 1.198 522 G CA 0.844 45.921 45.100 -0.038 0.000 0.780 522 G HN 0.307 nan 8.290 nan 0.000 0.565 523 R N -0.219 120.260 120.500 -0.035 0.000 2.117 523 R HA -0.081 4.259 4.340 0.000 0.000 0.243 523 R C 2.624 178.926 176.300 0.002 0.000 1.143 523 R CA 1.279 57.367 56.100 -0.021 0.000 0.968 523 R CB -0.581 29.696 30.300 -0.038 0.000 0.863 523 R HN 0.346 nan 8.270 nan 0.000 0.444 524 V N 0.890 120.800 119.914 -0.006 0.000 2.307 524 V HA -0.211 3.909 4.120 0.000 0.000 0.245 524 V C 2.495 178.633 176.094 0.074 0.000 1.045 524 V CA 1.865 64.178 62.300 0.022 0.000 1.024 524 V CB -0.798 31.012 31.823 -0.023 0.000 0.651 524 V HN 0.404 nan 8.190 nan 0.000 0.449 525 A N -0.028 122.811 122.820 0.031 0.000 1.948 525 A HA -0.220 4.100 4.320 0.000 0.000 0.220 525 A C 2.163 179.836 177.584 0.148 0.000 1.177 525 A CA 2.174 54.252 52.037 0.067 0.000 0.636 525 A CB -0.567 18.442 19.000 0.014 0.000 0.815 525 A HN 0.547 nan 8.150 nan 0.000 0.449 526 I N -0.659 119.966 120.570 0.091 0.000 2.141 526 I HA -0.203 3.967 4.170 0.000 0.000 0.236 526 I C 2.974 179.143 176.117 0.087 0.000 1.071 526 I CA 1.000 62.346 61.300 0.077 0.000 1.345 526 I CB -0.631 37.391 38.000 0.037 0.000 1.066 526 I HN 0.319 nan 8.210 nan 0.000 0.406 527 A N 0.819 123.685 122.820 0.076 0.000 2.032 527 A HA -0.267 4.053 4.320 0.000 0.000 0.221 527 A C 2.221 179.864 177.584 0.098 0.000 1.165 527 A CA 1.613 53.684 52.037 0.057 0.000 0.645 527 A CB -1.103 17.928 19.000 0.051 0.000 0.807 527 A HN 0.784 nan 8.150 nan 0.000 0.453 528 W N -0.446 120.838 121.300 -0.027 0.000 2.408 528 W HA -0.185 4.475 4.660 0.000 0.000 0.311 528 W C 2.449 178.960 176.519 -0.014 0.000 1.190 528 W CA 1.422 58.755 57.345 -0.020 0.000 1.321 528 W CB -0.788 28.660 29.460 -0.020 0.000 1.143 528 W HN 0.411 nan 8.180 nan 0.000 0.501 529 c N 2.072 120.759 118.600 0.145 0.000 2.398 529 c HA -0.235 4.335 4.570 0.000 0.000 0.276 529 c C 2.521 176.576 174.090 -0.059 0.000 1.222 529 c CA 2.227 58.573 56.329 0.029 0.000 1.746 529 c CB -1.173 41.396 42.510 0.099 0.000 2.039 529 c HN 0.450 nan 8.230 nan 0.000 0.470 530 E N -0.087 120.097 120.200 -0.026 0.000 2.038 530 E HA -0.268 4.082 4.350 0.000 0.000 0.195 530 E C 1.989 178.554 176.600 -0.059 0.000 1.000 530 E CA 1.581 57.969 56.400 -0.020 0.000 0.803 530 E CB -0.448 29.214 29.700 -0.062 0.000 0.750 530 E HN 0.602 nan 8.360 nan 0.000 0.448 531 L N 1.491 122.615 121.223 -0.165 0.000 2.013 531 L HA -0.288 4.052 4.340 0.000 0.000 0.212 531 L C 2.260 179.027 176.870 -0.172 0.000 1.073 531 L CA 1.818 56.541 54.840 -0.195 0.000 0.753 531 L CB -0.416 41.478 42.059 -0.274 0.000 0.890 531 L HN 0.095 nan 8.230 nan 0.000 0.432 532 Q N -0.375 119.250 119.800 -0.292 0.000 2.077 532 Q HA -0.226 4.114 4.340 0.000 0.000 0.206 532 Q C 2.064 177.999 176.000 -0.109 0.000 0.989 532 Q CA 1.956 57.607 55.803 -0.252 0.000 0.853 532 Q CB -1.023 27.535 28.738 -0.300 0.000 0.907 532 Q HN 0.591 nan 8.270 nan 0.000 0.418 533 N N 0.476 119.152 118.700 -0.042 0.000 2.025 533 N HA -0.148 4.593 4.740 0.000 0.000 0.194 533 N C 1.753 177.281 175.510 0.031 0.000 1.044 533 N CA 1.336 54.389 53.050 0.005 0.000 0.851 533 N CB -0.748 37.774 38.487 0.059 0.000 1.036 533 N HN 0.502 nan 8.380 nan 0.000 0.422 534 H N 0.650 119.687 119.070 -0.055 0.000 2.421 534 H HA -0.011 4.545 4.556 0.000 0.000 0.298 534 H C 1.395 176.714 175.328 -0.014 0.000 1.087 534 H CA 0.745 56.774 56.048 -0.032 0.000 1.330 534 H CB 0.259 30.000 29.762 -0.036 0.000 1.388 534 H HN 0.336 nan 8.280 nan 0.000 0.526 535 E N 0.881 121.145 120.200 0.107 0.000 2.160 535 E HA -0.154 4.196 4.350 0.000 0.000 0.195 535 E C 2.332 179.053 176.600 0.201 0.000 0.991 535 E CA 0.350 56.829 56.400 0.132 0.000 0.810 535 E CB -0.253 29.527 29.700 0.133 0.000 0.742 535 E HN 0.281 nan 8.360 nan 0.000 0.466 536 L N 1.228 122.502 121.223 0.084 0.000 2.013 536 L HA -0.199 4.141 4.340 0.000 0.000 0.212 536 L C 2.282 179.210 176.870 0.095 0.000 1.073 536 L CA 1.956 56.819 54.840 0.039 0.000 0.753 536 L CB -0.977 41.050 42.059 -0.053 0.000 0.890 536 L HN 0.043 nan 8.230 nan 0.000 0.432 537 T N -0.138 114.445 114.554 0.048 0.000 2.721 537 T HA -0.236 4.114 4.350 0.000 0.000 0.268 537 T C 1.883 176.614 174.700 0.051 0.000 1.038 537 T CA 1.987 64.109 62.100 0.036 0.000 1.145 537 T CB -0.330 68.535 68.868 -0.005 0.000 0.858 537 T HN 0.315 nan 8.240 nan 0.000 0.459 538 L N -1.377 119.869 121.223 0.039 0.000 2.023 538 L HA -0.012 4.328 4.340 0.000 0.000 0.205 538 L C 2.498 179.350 176.870 -0.030 0.000 1.073 538 L CA 1.381 56.196 54.840 -0.041 0.000 0.745 538 L CB -0.658 41.320 42.059 -0.136 0.000 0.900 538 L HN 0.331 nan 8.230 nan 0.000 0.435 539 W N 0.870 122.165 121.300 -0.009 0.000 2.342 539 W HA -0.197 4.463 4.660 0.000 0.000 0.297 539 W C 2.537 179.157 176.519 0.168 0.000 1.213 539 W CA 0.982 58.349 57.345 0.037 0.000 1.251 539 W CB -0.611 28.782 29.460 -0.112 0.000 1.136 539 W HN 0.202 nan 8.180 nan 0.000 0.526 540 N N 0.345 119.258 118.700 0.354 0.000 2.018 540 N HA -0.191 4.549 4.740 0.000 0.000 0.196 540 N C 1.516 177.137 175.510 0.186 0.000 1.043 540 N CA 1.800 55.032 53.050 0.303 0.000 0.856 540 N CB -0.798 37.807 38.487 0.198 0.000 1.042 540 N HN 0.117 nan 8.380 nan 0.000 0.423 541 E N 0.400 120.666 120.200 0.110 0.000 2.204 541 E HA -0.014 4.336 4.350 0.000 0.000 0.194 541 E C 1.769 178.400 176.600 0.051 0.000 0.989 541 E CA 0.598 57.034 56.400 0.059 0.000 0.824 541 E CB -0.241 29.472 29.700 0.022 0.000 0.756 541 E HN 0.372 nan 8.360 nan 0.000 0.477 542 A N 1.540 124.396 122.820 0.061 0.000 1.930 542 A HA -0.174 4.146 4.320 0.000 0.000 0.217 542 A C 2.148 179.794 177.584 0.102 0.000 1.175 542 A CA 1.070 53.124 52.037 0.028 0.000 0.627 542 A CB -0.343 18.608 19.000 -0.082 0.000 0.815 542 A HN 0.129 nan 8.150 nan 0.000 0.443 543 R N 0.301 120.911 120.500 0.183 0.000 2.115 543 R HA -0.212 4.128 4.340 0.000 0.000 0.239 543 R C 2.176 178.519 176.300 0.071 0.000 1.133 543 R CA 2.054 58.240 56.100 0.143 0.000 0.935 543 R CB -0.483 29.876 30.300 0.098 0.000 0.853 543 R HN 0.534 nan 8.270 nan 0.000 0.433 544 K N 0.782 121.215 120.400 0.055 0.000 2.044 544 K HA -0.162 4.158 4.320 0.000 0.000 0.210 544 K C 2.240 178.858 176.600 0.030 0.000 1.049 544 K CA 1.579 57.885 56.287 0.033 0.000 0.927 544 K CB -0.404 32.113 32.500 0.028 0.000 0.713 544 K HN 0.155 nan 8.250 nan 0.000 0.443 545 L N 0.341 121.581 121.223 0.029 0.000 1.990 545 L HA -0.188 4.152 4.340 0.000 0.000 0.213 545 L C 1.364 178.251 176.870 0.029 0.000 1.072 545 L CA 1.166 56.019 54.840 0.022 0.000 0.755 545 L CB -0.424 41.641 42.059 0.009 0.000 0.889 545 L HN 0.375 nan 8.230 nan 0.000 0.432 546 N N -0.931 117.791 118.700 0.038 0.000 2.725 546 N HA 0.145 4.885 4.740 0.000 0.000 0.248 546 N C -2.242 173.303 175.510 0.058 0.000 1.402 546 N CA -1.114 51.962 53.050 0.044 0.000 0.766 546 N CB 1.419 39.931 38.487 0.042 0.000 1.223 546 N HN -0.193 nan 8.380 nan 0.000 0.515 547 P HA -0.145 nan 4.420 nan 0.000 0.216 547 P C 1.040 178.369 177.300 0.048 0.000 1.154 547 P CA 1.206 64.333 63.100 0.045 0.000 0.865 547 P CB 0.279 31.992 31.700 0.021 0.000 0.789 548 N N -0.680 118.045 118.700 0.040 0.000 2.094 548 N HA -0.171 4.569 4.740 0.000 0.000 0.191 548 N C 1.672 177.204 175.510 0.038 0.000 1.023 548 N CA 1.885 54.954 53.050 0.032 0.000 0.857 548 N CB -0.894 37.611 38.487 0.031 0.000 1.013 548 N HN 0.120 nan 8.380 nan 0.000 0.426 549 A N 0.494 123.349 122.820 0.059 0.000 1.874 549 A HA 0.041 4.361 4.320 0.000 0.000 0.214 549 A C 2.171 179.841 177.584 0.143 0.000 1.189 549 A CA 0.596 52.680 52.037 0.078 0.000 0.615 549 A CB -0.407 18.637 19.000 0.075 0.000 0.830 549 A HN 0.090 nan 8.150 nan 0.000 0.443 550 I N 0.413 121.093 120.570 0.183 0.000 2.335 550 I HA -0.225 3.945 4.170 0.000 0.000 0.251 550 I C 2.701 178.972 176.117 0.256 0.000 1.129 550 I CA 1.242 62.739 61.300 0.328 0.000 1.402 550 I CB -0.452 37.747 38.000 0.331 0.000 1.069 550 I HN 0.333 nan 8.210 nan 0.000 0.424 551 A N -0.913 121.985 122.820 0.131 0.000 1.861 551 A HA -0.096 4.224 4.320 0.000 0.000 0.212 551 A C 2.460 180.073 177.584 0.049 0.000 1.199 551 A CA 1.509 53.587 52.037 0.067 0.000 0.613 551 A CB -0.907 18.103 19.000 0.018 0.000 0.846 551 A HN 0.332 nan 8.150 nan 0.000 0.446 552 S N -0.511 115.209 115.700 0.032 0.000 2.374 552 S HA -0.182 4.288 4.470 0.000 0.000 0.227 552 S C 1.915 176.522 174.600 0.010 0.000 1.037 552 S CA 1.519 59.716 58.200 -0.005 0.000 1.024 552 S CB -0.606 62.568 63.200 -0.043 0.000 0.861 552 S HN 0.462 nan 8.310 nan 0.000 0.456 553 V N 1.420 121.368 119.914 0.057 0.000 2.453 553 V HA -0.134 3.986 4.120 0.000 0.000 0.247 553 V C 2.086 178.177 176.094 -0.004 0.000 1.048 553 V CA 2.237 64.573 62.300 0.060 0.000 1.049 553 V CB -0.914 31.011 31.823 0.169 0.000 0.672 553 V HN 0.525 nan 8.190 nan 0.000 0.457 554 T N -0.019 114.527 114.554 -0.013 0.000 2.904 554 T HA -0.033 4.317 4.350 0.000 0.000 0.267 554 T C 1.416 176.097 174.700 -0.031 0.000 1.059 554 T CA 1.650 63.707 62.100 -0.071 0.000 1.137 554 T CB 0.006 68.887 68.868 0.022 0.000 0.879 554 T HN 0.411 nan 8.240 nan 0.000 0.467 555 V N 0.534 120.445 119.914 -0.005 0.000 3.444 555 V HA 0.406 4.526 4.120 0.000 0.000 0.308 555 V C 1.596 177.684 176.094 -0.011 0.000 1.371 555 V CA 0.003 62.299 62.300 -0.005 0.000 1.141 555 V CB -0.737 31.087 31.823 0.001 0.000 1.037 555 V HN 0.552 nan 8.190 nan 0.000 0.433 556 G N 2.632 111.422 108.800 -0.016 0.000 2.356 556 G HA2 -0.295 3.665 3.960 0.000 0.000 0.296 556 G HA3 -0.295 3.665 3.960 0.000 0.000 0.296 556 G C 0.223 175.113 174.900 -0.016 0.000 1.022 556 G CA 0.963 46.053 45.100 -0.015 0.000 0.961 556 G HN 0.945 nan 8.290 nan 0.000 0.510 557 R N -2.257 118.226 120.500 -0.027 0.000 2.644 557 R HA 0.512 4.852 4.340 0.000 0.000 0.257 557 R C -0.422 175.827 176.300 -0.085 0.000 1.082 557 R CA -1.267 54.809 56.100 -0.041 0.000 0.927 557 R CB 0.934 31.230 30.300 -0.006 0.000 1.258 557 R HN -0.006 nan 8.270 nan 0.000 0.459 558 R N 2.051 122.436 120.500 -0.191 0.000 2.421 558 R HA 0.232 4.572 4.340 0.000 0.000 0.305 558 R C 0.240 176.457 176.300 -0.138 0.000 1.039 558 R CA 0.054 55.968 56.100 -0.309 0.000 1.003 558 R CB 0.710 30.461 30.300 -0.914 0.000 0.959 558 R HN 0.568 nan 8.270 nan 0.000 0.427 559 V N -1.417 118.452 119.914 -0.075 0.000 3.182 559 V HA 0.614 4.734 4.120 0.000 0.000 0.308 559 V C -0.474 175.622 176.094 0.004 0.000 1.240 559 V CA -1.007 61.288 62.300 -0.009 0.000 1.063 559 V CB 2.385 34.208 31.823 -0.001 0.000 1.076 559 V HN 0.558 nan 8.190 nan 0.000 0.446 560 S N 0.612 116.326 115.700 0.023 0.000 2.456 560 S HA 0.879 5.349 4.470 0.000 0.000 0.316 560 S C -0.284 174.325 174.600 0.016 0.000 1.089 560 S CA 0.264 58.480 58.200 0.027 0.000 1.101 560 S CB 0.517 63.742 63.200 0.043 0.000 0.995 560 S HN 1.920 nan 8.310 nan 0.000 0.468 561 A N 4.381 127.208 122.820 0.011 0.000 2.413 561 A HA 0.917 5.237 4.320 0.000 0.000 0.307 561 A C -0.463 177.120 177.584 -0.001 0.000 1.087 561 A CA -0.911 51.124 52.037 -0.003 0.000 0.750 561 A CB 1.484 20.475 19.000 -0.015 0.000 1.296 561 A HN 0.868 nan 8.150 nan 0.000 0.423 562 R N 1.654 122.147 120.500 -0.012 0.000 2.668 562 R HA 0.499 4.839 4.340 0.000 0.000 0.272 562 R C -1.426 174.861 176.300 -0.023 0.000 1.019 562 R CA -0.814 55.281 56.100 -0.009 0.000 0.894 562 R CB 1.242 31.542 30.300 0.000 0.000 1.228 562 R HN 0.666 nan 8.270 nan 0.000 0.460 563 M N 5.348 124.936 119.600 -0.020 0.000 2.143 563 M HA 0.214 4.694 4.480 0.000 0.000 0.348 563 M C -0.336 175.953 176.300 -0.019 0.000 1.375 563 M CA 0.007 55.291 55.300 -0.027 0.000 1.124 563 M CB 0.620 33.208 32.600 -0.020 0.000 1.669 563 M HN 0.513 nan 8.290 nan 0.000 0.469 564 L N 3.724 124.933 121.223 -0.023 0.000 2.828 564 L HA 0.402 4.742 4.340 0.000 0.000 0.233 564 L C 1.132 177.993 176.870 -0.015 0.000 1.250 564 L CA -0.356 54.475 54.840 -0.016 0.000 1.125 564 L CB -0.524 41.526 42.059 -0.016 0.000 1.432 564 L HN 1.060 nan 8.230 nan 0.000 0.444 565 G N 0.920 109.712 108.800 -0.012 0.000 3.299 565 G HA2 -0.260 3.700 3.960 0.000 0.000 0.251 565 G HA3 -0.260 3.700 3.960 0.000 0.000 0.251 565 G C 0.246 175.139 174.900 -0.012 0.000 1.741 565 G CA 0.151 45.246 45.100 -0.009 0.000 1.151 565 G HN 0.398 nan 8.290 nan 0.000 0.561 566 D N 0.560 120.951 120.400 -0.015 0.000 2.469 566 D HA 0.463 5.103 4.640 0.000 0.000 0.215 566 D C 0.388 176.667 176.300 -0.035 0.000 1.154 566 D CA 0.392 54.382 54.000 -0.016 0.000 0.832 566 D CB 1.582 42.380 40.800 -0.004 0.000 1.008 566 D HN 0.423 nan 8.370 nan 0.000 0.506 567 V N 1.161 121.049 119.914 -0.043 0.000 2.815 567 V HA 0.449 4.570 4.120 0.000 0.000 0.314 567 V C -0.283 175.763 176.094 -0.079 0.000 1.064 567 V CA -0.886 61.376 62.300 -0.063 0.000 0.952 567 V CB 2.842 34.639 31.823 -0.043 0.000 1.020 567 V HN -0.023 nan 8.190 nan 0.000 0.439 568 M N 3.094 122.627 119.600 -0.111 0.000 2.114 568 M HA 0.722 5.202 4.480 0.000 0.000 0.332 568 M C -0.154 176.100 176.300 -0.077 0.000 1.014 568 M CA -0.445 54.787 55.300 -0.113 0.000 0.956 568 M CB 1.137 33.622 32.600 -0.192 0.000 1.551 568 M HN 0.840 nan 8.290 nan 0.000 0.427 569 A N 4.460 127.250 122.820 -0.050 0.000 2.322 569 A HA 0.731 5.051 4.320 0.000 0.000 0.269 569 A C -0.939 176.629 177.584 -0.027 0.000 1.094 569 A CA -0.511 51.507 52.037 -0.032 0.000 0.807 569 A CB 0.771 19.760 19.000 -0.019 0.000 1.047 569 A HN 0.675 nan 8.150 nan 0.000 0.487 570 V N 1.424 121.327 119.914 -0.017 0.000 2.733 570 V HA 0.584 4.704 4.120 0.000 0.000 0.306 570 V C -0.369 175.727 176.094 0.003 0.000 1.084 570 V CA -0.183 62.111 62.300 -0.009 0.000 0.905 570 V CB 2.215 34.029 31.823 -0.015 0.000 1.010 570 V HN 1.179 nan 8.190 nan 0.000 0.424 571 S N 1.352 117.059 115.700 0.013 0.000 2.745 571 S HA 0.415 4.885 4.470 0.000 0.000 0.283 571 S C -0.245 174.376 174.600 0.035 0.000 1.170 571 S CA -0.621 57.593 58.200 0.022 0.000 1.119 571 S CB 1.085 64.301 63.200 0.025 0.000 1.035 571 S HN 0.669 nan 8.310 nan 0.000 0.483 572 T N 2.998 117.574 114.554 0.037 0.000 2.903 572 T HA 0.038 4.388 4.350 0.000 0.000 0.299 572 T C 0.671 175.423 174.700 0.086 0.000 1.041 572 T CA 0.117 62.249 62.100 0.053 0.000 1.138 572 T CB -0.301 68.601 68.868 0.056 0.000 1.040 572 T HN 0.818 nan 8.240 nan 0.000 0.524 573 c N 3.170 121.841 118.600 0.118 0.000 2.520 573 c HA 0.461 5.031 4.570 0.000 0.000 0.376 573 c C 0.742 174.991 174.090 0.264 0.000 1.268 573 c CA -0.828 55.615 56.329 0.191 0.000 2.414 573 c CB 0.277 42.916 42.510 0.215 0.000 2.521 573 c HN 0.663 nan 8.230 nan 0.000 0.618 574 V N 4.245 124.297 119.914 0.230 0.000 2.398 574 V HA 0.304 4.424 4.120 0.000 0.000 0.286 574 V C -2.118 173.996 176.094 0.033 0.000 1.026 574 V CA -1.326 61.068 62.300 0.157 0.000 0.868 574 V CB 1.325 33.250 31.823 0.171 0.000 0.982 574 V HN 0.753 nan 8.190 nan 0.000 0.443 575 P HA 0.281 nan 4.420 nan 0.000 0.269 575 P C -0.963 176.225 177.300 -0.187 0.000 1.215 575 P CA -0.039 62.774 63.100 -0.479 0.000 0.780 575 P CB 0.742 32.204 31.700 -0.396 0.000 0.898 576 V N 1.213 121.011 119.914 -0.193 0.000 2.777 576 V HA 0.513 4.633 4.120 0.000 0.000 0.306 576 V C -0.053 176.042 176.094 0.003 0.000 1.112 576 V CA -1.102 61.152 62.300 -0.078 0.000 0.917 576 V CB 1.786 33.494 31.823 -0.192 0.000 1.018 576 V HN 0.687 nan 8.190 nan 0.000 0.426 577 A N 3.139 125.967 122.820 0.012 0.000 2.540 577 A HA 0.566 4.886 4.320 0.000 0.000 0.239 577 A C 1.566 179.202 177.584 0.087 0.000 1.061 577 A CA 0.601 52.665 52.037 0.046 0.000 0.758 577 A CB 0.485 19.499 19.000 0.025 0.000 0.991 577 A HN 1.630 nan 8.150 nan 0.000 0.502 578 A N 1.893 124.823 122.820 0.183 0.000 1.978 578 A HA -0.150 4.170 4.320 0.000 0.000 0.220 578 A C 1.535 179.145 177.584 0.043 0.000 1.170 578 A CA 1.966 54.154 52.037 0.253 0.000 0.636 578 A CB -0.534 18.618 19.000 0.253 0.000 0.810 578 A HN 0.823 nan 8.150 nan 0.000 0.448 579 D N 0.472 120.891 120.400 0.032 0.000 2.123 579 D HA -0.155 4.485 4.640 0.000 0.000 0.196 579 D C 0.931 177.224 176.300 -0.010 0.000 0.992 579 D CA 1.601 55.608 54.000 0.012 0.000 0.833 579 D CB -0.725 40.084 40.800 0.015 0.000 0.954 579 D HN 0.670 nan 8.370 nan 0.000 0.455 580 N N -0.154 118.532 118.700 -0.023 0.000 2.362 580 N HA 0.085 4.825 4.740 0.000 0.000 0.204 580 N C -0.736 174.740 175.510 -0.057 0.000 1.166 580 N CA -0.091 52.944 53.050 -0.025 0.000 0.831 580 N CB 0.811 39.298 38.487 -0.001 0.000 1.008 580 N HN -0.070 nan 8.380 nan 0.000 0.472 581 V N 2.017 121.850 119.914 -0.135 0.000 2.409 581 V HA 0.483 4.603 4.120 0.000 0.000 0.291 581 V C -0.281 175.786 176.094 -0.046 0.000 1.020 581 V CA -1.005 61.164 62.300 -0.219 0.000 0.848 581 V CB 0.875 32.242 31.823 -0.761 0.000 0.990 581 V HN 0.082 nan 8.190 nan 0.000 0.430 582 I N 3.370 123.933 120.570 -0.012 0.000 2.785 582 I HA 0.870 5.040 4.170 0.000 0.000 0.302 582 I C -0.657 175.424 176.117 -0.060 0.000 1.069 582 I CA -0.833 60.469 61.300 0.002 0.000 1.045 582 I CB 2.240 40.222 38.000 -0.030 0.000 1.236 582 I HN 0.225 nan 8.210 nan 0.000 0.429 583 V N 3.690 123.522 119.914 -0.136 0.000 2.581 583 V HA 0.445 4.565 4.120 0.000 0.000 0.303 583 V C -0.424 175.583 176.094 -0.146 0.000 1.041 583 V CA -0.654 61.519 62.300 -0.212 0.000 0.907 583 V CB 1.753 33.348 31.823 -0.380 0.000 0.994 583 V HN 0.758 nan 8.190 nan 0.000 0.442 584 Q N 3.361 123.099 119.800 -0.102 0.000 2.307 584 Q HA 0.157 4.497 4.340 0.000 0.000 0.259 584 Q C 1.047 177.077 176.000 0.050 0.000 0.998 584 Q CA -0.208 55.563 55.803 -0.053 0.000 0.923 584 Q CB 0.230 28.925 28.738 -0.071 0.000 1.196 584 Q HN 0.713 nan 8.270 nan 0.000 0.416 585 N N 1.877 120.580 118.700 0.005 0.000 2.096 585 N HA -0.183 4.557 4.740 0.000 0.000 0.195 585 N C 0.427 176.031 175.510 0.157 0.000 1.017 585 N CA 1.153 54.222 53.050 0.031 0.000 0.870 585 N CB 0.390 38.873 38.487 -0.007 0.000 1.024 585 N HN 0.484 nan 8.380 nan 0.000 0.434 586 S N -1.129 114.676 115.700 0.174 0.000 2.686 586 S HA 0.478 4.948 4.470 0.000 0.000 0.270 586 S C 0.738 175.549 174.600 0.351 0.000 1.194 586 S CA -0.361 57.984 58.200 0.242 0.000 0.990 586 S CB 0.920 64.202 63.200 0.138 0.000 1.029 586 S HN 0.286 nan 8.310 nan 0.000 0.560 587 M N 0.597 120.407 119.600 0.350 0.000 2.722 587 M HA 0.246 4.726 4.480 0.000 0.000 0.451 587 M C -0.444 176.066 176.300 0.350 0.000 1.225 587 M CA -0.037 55.471 55.300 0.347 0.000 0.874 587 M CB 0.572 33.414 32.600 0.403 0.000 1.736 587 M HN 0.440 nan 8.290 nan 0.000 0.584 588 R N 0.694 121.312 120.500 0.197 0.000 2.540 588 R HA 0.618 4.958 4.340 0.000 0.000 0.287 588 R C -0.541 175.790 176.300 0.052 0.000 0.980 588 R CA -0.580 55.532 56.100 0.019 0.000 0.966 588 R CB 1.920 32.192 30.300 -0.048 0.000 1.106 588 R HN 0.175 nan 8.270 nan 0.000 0.480 589 I N 2.555 123.094 120.570 -0.051 0.000 2.308 589 I HA -0.025 4.145 4.170 0.000 0.000 0.293 589 I C 1.514 177.610 176.117 -0.036 0.000 1.078 589 I CA 0.075 61.350 61.300 -0.041 0.000 1.292 589 I CB 1.378 39.294 38.000 -0.140 0.000 1.423 589 I HN 0.808 nan 8.210 nan 0.000 0.493 590 S N 3.233 118.932 115.700 -0.001 0.000 2.371 590 S HA -0.168 4.302 4.470 0.000 0.000 0.224 590 S C 2.040 176.630 174.600 -0.017 0.000 1.029 590 S CA 1.016 59.211 58.200 -0.008 0.000 0.978 590 S CB -0.343 62.861 63.200 0.006 0.000 0.833 590 S HN 0.743 nan 8.310 nan 0.000 0.466 591 S N 2.442 118.134 115.700 -0.014 0.000 2.343 591 S HA 0.031 4.501 4.470 0.000 0.000 0.219 591 S C 1.495 176.077 174.600 -0.031 0.000 1.033 591 S CA 0.993 59.182 58.200 -0.018 0.000 1.014 591 S CB -0.974 62.219 63.200 -0.013 0.000 0.915 591 S HN 0.916 nan 8.310 nan 0.000 0.435 592 R N 2.133 122.605 120.500 -0.047 0.000 2.664 592 R HA 0.695 5.035 4.340 0.000 0.000 0.281 592 R C -3.076 173.177 176.300 -0.077 0.000 1.383 592 R CA -2.206 53.859 56.100 -0.058 0.000 1.563 592 R CB -0.876 29.387 30.300 -0.062 0.000 1.131 592 R HN 0.449 nan 8.270 nan 0.000 0.599 593 P HA 0.296 nan 4.420 nan 0.000 0.269 593 P C 1.173 178.417 177.300 -0.093 0.000 1.211 593 P CA 1.776 64.824 63.100 -0.085 0.000 0.781 593 P CB 1.180 32.841 31.700 -0.064 0.000 0.877 594 G N -0.531 108.200 108.800 -0.115 0.000 2.436 594 G HA2 0.014 3.974 3.960 0.000 0.000 0.204 594 G HA3 0.014 3.974 3.960 0.000 0.000 0.204 594 G C 0.033 174.851 174.900 -0.137 0.000 1.026 594 G CA 0.100 45.136 45.100 -0.107 0.000 0.658 594 G HN 0.875 nan 8.290 nan 0.000 0.499 595 A N -0.842 121.879 122.820 -0.165 0.000 2.401 595 A HA 0.822 5.142 4.320 0.000 0.000 0.310 595 A C -0.377 177.040 177.584 -0.279 0.000 1.075 595 A CA 0.186 52.107 52.037 -0.194 0.000 0.746 595 A CB 1.793 20.700 19.000 -0.156 0.000 1.277 595 A HN 1.368 nan 8.150 nan 0.000 0.425 596 c N -0.069 118.345 118.600 -0.311 0.000 2.985 596 c HA 0.567 5.137 4.570 0.000 0.000 0.314 596 c C -0.747 173.265 174.090 -0.131 0.000 1.215 596 c CA -0.988 55.139 56.329 -0.336 0.000 1.414 596 c CB 0.513 42.632 42.510 -0.652 0.000 1.842 596 c HN 0.812 nan 8.230 nan 0.000 0.477 597 Y N 1.359 121.672 120.300 0.022 0.000 2.890 597 Y HA 0.040 4.590 4.550 0.000 0.000 0.341 597 Y C 1.955 177.944 175.900 0.148 0.000 1.269 597 Y CA 1.119 59.248 58.100 0.050 0.000 1.517 597 Y CB 0.453 38.905 38.460 -0.014 0.000 1.314 597 Y HN 0.883 nan 8.280 nan 0.000 0.622 598 S N 2.159 118.010 115.700 0.252 0.000 2.406 598 S HA 0.121 4.591 4.470 0.000 0.000 0.224 598 S C 0.410 175.122 174.600 0.186 0.000 1.030 598 S CA 0.183 58.534 58.200 0.253 0.000 0.958 598 S CB 0.114 63.434 63.200 0.199 0.000 0.811 598 S HN 0.635 nan 8.310 nan 0.000 0.489 599 R N 1.324 121.802 120.500 -0.037 0.000 2.740 599 R HA 0.578 4.918 4.340 0.000 0.000 0.282 599 R C -3.194 172.735 176.300 -0.618 0.000 0.969 599 R CA -2.676 53.088 56.100 -0.561 0.000 0.918 599 R CB 0.779 30.861 30.300 -0.363 0.000 1.175 599 R HN 0.118 nan 8.270 nan 0.000 0.464 600 P HA -0.019 nan 4.420 nan 0.000 0.270 600 P C -0.596 176.383 177.300 -0.536 0.000 1.221 600 P CA 0.135 62.718 63.100 -0.861 0.000 0.788 600 P CB 0.497 31.557 31.700 -1.067 0.000 0.904 601 L N 0.429 121.388 121.223 -0.439 0.000 2.334 601 L HA 0.726 5.066 4.340 0.000 0.000 0.272 601 L C 0.259 176.985 176.870 -0.239 0.000 1.020 601 L CA -0.817 53.803 54.840 -0.366 0.000 0.812 601 L CB 1.483 43.286 42.059 -0.426 0.000 1.264 601 L HN 0.197 nan 8.230 nan 0.000 0.439 602 V N -1.883 117.932 119.914 -0.164 0.000 3.232 602 V HA 0.793 4.913 4.120 0.000 0.000 0.303 602 V C -0.715 175.365 176.094 -0.024 0.000 1.311 602 V CA -0.538 61.706 62.300 -0.093 0.000 1.061 602 V CB 1.994 33.775 31.823 -0.070 0.000 1.085 602 V HN 0.706 nan 8.190 nan 0.000 0.447 603 S N 0.677 116.380 115.700 0.006 0.000 2.564 603 S HA 1.008 5.478 4.470 0.000 0.000 0.274 603 S C -0.964 173.675 174.600 0.064 0.000 1.124 603 S CA -0.312 57.876 58.200 -0.020 0.000 0.869 603 S CB 1.786 64.927 63.200 -0.099 0.000 1.105 603 S HN 1.558 nan 8.310 nan 0.000 0.472 604 F N -0.477 119.366 119.950 -0.178 0.000 3.215 604 F HA 0.845 5.372 4.527 0.000 0.000 0.326 604 F C -1.663 174.006 175.800 -0.219 0.000 1.189 604 F CA -1.479 56.392 58.000 -0.214 0.000 0.905 604 F CB 1.060 39.891 39.000 -0.282 0.000 1.485 604 F HN 0.592 nan 8.300 nan 0.000 0.508 605 R N -0.478 120.007 120.500 -0.025 0.000 2.647 605 R HA 0.310 4.650 4.340 0.000 0.000 0.260 605 R C -1.283 175.028 176.300 0.019 0.000 1.154 605 R CA -0.772 55.247 56.100 -0.135 0.000 1.029 605 R CB 0.321 30.576 30.300 -0.076 0.000 1.262 605 R HN 0.796 nan 8.270 nan 0.000 0.437 606 Y N 1.044 121.441 120.300 0.162 0.000 2.114 606 Y HA -0.161 4.389 4.550 0.000 0.000 0.282 606 Y C 0.365 176.303 175.900 0.064 0.000 1.165 606 Y CA 1.313 59.491 58.100 0.129 0.000 1.148 606 Y CB 0.060 38.580 38.460 0.100 0.000 0.972 606 Y HN 0.529 nan 8.280 nan 0.000 0.504 607 E N -0.298 120.023 120.200 0.202 0.000 2.222 607 E HA 0.109 4.459 4.350 0.000 0.000 0.272 607 E C 0.223 176.861 176.600 0.063 0.000 0.982 607 E CA -0.323 56.141 56.400 0.108 0.000 0.842 607 E CB 0.885 30.637 29.700 0.086 0.000 1.144 607 E HN -0.015 nan 8.360 nan 0.000 0.397 608 D N 0.755 121.181 120.400 0.042 0.000 2.123 608 D HA -0.172 4.468 4.640 0.000 0.000 0.196 608 D C 1.329 177.639 176.300 0.016 0.000 0.992 608 D CA 1.276 55.291 54.000 0.024 0.000 0.833 608 D CB 0.174 40.986 40.800 0.019 0.000 0.954 608 D HN 0.346 nan 8.370 nan 0.000 0.455 609 Q N 0.334 120.145 119.800 0.019 0.000 2.311 609 Q HA 0.085 4.425 4.340 0.000 0.000 0.203 609 Q C 1.260 177.267 176.000 0.011 0.000 0.954 609 Q CA 0.376 56.186 55.803 0.012 0.000 0.885 609 Q CB -0.427 28.318 28.738 0.013 0.000 0.963 609 Q HN 0.190 nan 8.270 nan 0.000 0.471 610 G N 2.979 111.794 108.800 0.026 0.000 2.670 610 G HA2 0.105 4.065 3.960 0.000 0.000 0.233 610 G HA3 0.105 4.065 3.960 0.000 0.000 0.233 610 G C -2.362 172.535 174.900 -0.005 0.000 1.251 610 G CA -0.646 44.473 45.100 0.033 0.000 0.849 610 G HN 0.063 nan 8.290 nan 0.000 0.588 611 P HA 0.107 nan 4.420 nan 0.000 0.271 611 P C -0.202 177.025 177.300 -0.121 0.000 1.233 611 P CA -0.660 62.409 63.100 -0.052 0.000 0.789 611 P CB 0.575 32.253 31.700 -0.038 0.000 0.951 612 L N 2.760 123.898 121.223 -0.142 0.000 2.312 612 L HA 0.136 4.476 4.340 0.000 0.000 0.287 612 L C -0.703 175.973 176.870 -0.325 0.000 1.091 612 L CA -0.066 54.643 54.840 -0.217 0.000 0.846 612 L CB -0.404 41.567 42.059 -0.147 0.000 1.219 612 L HN 0.028 nan 8.230 nan 0.000 0.439 613 V N 4.853 124.399 119.914 -0.614 0.000 2.530 613 V HA 0.211 4.331 4.120 0.000 0.000 0.282 613 V C 0.460 176.117 176.094 -0.728 0.000 1.048 613 V CA -0.628 61.198 62.300 -0.790 0.000 0.997 613 V CB 0.786 31.785 31.823 -1.373 0.000 0.987 613 V HN 0.649 nan 8.190 nan 0.000 0.477 614 E N 2.635 122.632 120.200 -0.338 0.000 2.231 614 E HA 0.726 5.076 4.350 0.000 0.000 0.277 614 E C 0.303 176.887 176.600 -0.027 0.000 0.999 614 E CA -0.193 56.113 56.400 -0.156 0.000 0.827 614 E CB 2.036 31.672 29.700 -0.107 0.000 1.101 614 E HN 0.909 nan 8.360 nan 0.000 0.393 615 G N 1.200 110.027 108.800 0.044 0.000 2.554 615 G HA2 0.246 4.206 3.960 0.000 0.000 0.306 615 G HA3 0.246 4.206 3.960 0.000 0.000 0.306 615 G C -1.749 173.144 174.900 -0.012 0.000 1.320 615 G CA -0.644 44.502 45.100 0.078 0.000 0.800 615 G HN 0.424 nan 8.290 nan 0.000 0.481 616 Q N -0.484 119.301 119.800 -0.025 0.000 2.342 616 Q HA 0.620 4.960 4.340 0.000 0.000 0.267 616 Q C -1.019 174.934 176.000 -0.079 0.000 1.038 616 Q CA -0.875 54.865 55.803 -0.105 0.000 0.832 616 Q CB 2.223 30.900 28.738 -0.102 0.000 1.323 616 Q HN 0.595 nan 8.270 nan 0.000 0.448 617 L N 3.228 124.364 121.223 -0.145 0.000 2.462 617 L HA 0.443 4.784 4.340 0.000 0.000 0.272 617 L C -0.053 176.789 176.870 -0.047 0.000 1.166 617 L CA 1.049 55.835 54.840 -0.090 0.000 0.880 617 L CB 0.565 42.521 42.059 -0.171 0.000 1.142 617 L HN 0.728 nan 8.230 nan 0.000 0.473 618 G N 3.748 112.573 108.800 0.042 0.000 2.971 618 G HA2 0.388 4.348 3.960 0.000 0.000 0.235 618 G HA3 0.388 4.348 3.960 0.000 0.000 0.235 618 G C -0.991 173.983 174.900 0.122 0.000 1.351 618 G CA -0.747 44.397 45.100 0.073 0.000 1.039 618 G HN 0.658 nan 8.290 nan 0.000 0.563 619 E N 0.426 120.695 120.200 0.114 0.000 2.415 619 E HA 0.128 4.478 4.350 0.000 0.000 0.260 619 E C -0.149 176.516 176.600 0.109 0.000 1.016 619 E CA 0.303 56.775 56.400 0.119 0.000 0.924 619 E CB 0.334 30.089 29.700 0.090 0.000 0.961 619 E HN 0.541 nan 8.360 nan 0.000 0.459 620 N N 3.938 122.711 118.700 0.121 0.000 2.671 620 N HA -0.252 4.488 4.740 0.000 0.000 0.261 620 N C -0.989 174.569 175.510 0.079 0.000 1.053 620 N CA 0.731 53.830 53.050 0.082 0.000 0.732 620 N CB -0.981 37.531 38.487 0.041 0.000 0.887 620 N HN 0.671 nan 8.380 nan 0.000 0.546 621 N N -1.326 117.457 118.700 0.138 0.000 2.708 621 N HA -0.263 4.477 4.740 0.000 0.000 0.251 621 N C -0.488 175.160 175.510 0.230 0.000 1.123 621 N CA 1.483 54.654 53.050 0.203 0.000 0.739 621 N CB -1.033 37.407 38.487 -0.078 0.000 1.113 621 N HN 0.856 nan 8.380 nan 0.000 0.561 622 E N 0.413 120.707 120.200 0.158 0.000 2.316 622 E HA 0.263 4.613 4.350 0.000 0.000 0.275 622 E C -0.291 176.366 176.600 0.094 0.000 1.029 622 E CA -0.237 56.240 56.400 0.128 0.000 0.871 622 E CB 0.459 30.214 29.700 0.092 0.000 1.022 622 E HN 0.218 nan 8.360 nan 0.000 0.418 623 L N 5.644 126.899 121.223 0.054 0.000 2.313 623 L HA 0.429 4.769 4.340 0.000 0.000 0.273 623 L C 0.209 177.095 176.870 0.026 0.000 1.028 623 L CA -0.441 54.376 54.840 -0.037 0.000 0.871 623 L CB 0.902 42.787 42.059 -0.290 0.000 1.242 623 L HN 0.403 nan 8.230 nan 0.000 0.434 624 R N 1.733 122.266 120.500 0.054 0.000 2.410 624 R HA 0.313 4.653 4.340 0.000 0.000 0.288 624 R C 0.415 176.780 176.300 0.108 0.000 1.051 624 R CA -0.721 55.428 56.100 0.081 0.000 1.021 624 R CB 1.449 31.790 30.300 0.068 0.000 1.032 624 R HN 0.447 nan 8.270 nan 0.000 0.481 625 L N 1.163 122.463 121.223 0.128 0.000 2.591 625 L HA 0.048 4.388 4.340 0.000 0.000 0.228 625 L C 0.738 177.661 176.870 0.089 0.000 1.133 625 L CA 0.835 55.758 54.840 0.138 0.000 0.880 625 L CB -0.084 42.069 42.059 0.157 0.000 1.033 625 L HN 0.650 nan 8.230 nan 0.000 0.450 626 T N -2.486 112.114 114.554 0.076 0.000 2.770 626 T HA 0.415 4.765 4.350 0.000 0.000 0.283 626 T C 0.340 175.081 174.700 0.068 0.000 0.988 626 T CA -0.741 61.398 62.100 0.065 0.000 0.957 626 T CB 0.886 69.790 68.868 0.059 0.000 0.930 626 T HN 0.035 nan 8.240 nan 0.000 0.443 627 R N 3.023 123.568 120.500 0.076 0.000 2.878 627 R HA 0.200 4.540 4.340 0.000 0.000 0.239 627 R C -0.381 176.012 176.300 0.155 0.000 1.515 627 R CA -0.261 55.909 56.100 0.118 0.000 1.210 627 R CB -0.064 30.319 30.300 0.138 0.000 1.209 627 R HN 0.649 nan 8.270 nan 0.000 0.610 628 D N 0.683 121.153 120.400 0.118 0.000 2.454 628 D HA 0.043 4.683 4.640 0.000 0.000 0.219 628 D C 0.312 176.664 176.300 0.086 0.000 1.081 628 D CA 0.152 54.204 54.000 0.086 0.000 0.867 628 D CB 0.577 41.413 40.800 0.061 0.000 1.054 628 D HN 0.393 nan 8.370 nan 0.000 0.500 629 A N 1.495 124.387 122.820 0.120 0.000 2.457 629 A HA 0.502 4.822 4.320 0.000 0.000 0.298 629 A C -0.059 177.606 177.584 0.135 0.000 1.288 629 A CA 0.141 52.247 52.037 0.114 0.000 0.956 629 A CB -0.653 18.411 19.000 0.106 0.000 1.135 629 A HN 0.140 nan 8.150 nan 0.000 0.535 630 I N 1.726 122.323 120.570 0.045 0.000 2.802 630 I HA 0.488 4.658 4.170 0.000 0.000 0.298 630 I C -0.373 175.738 176.117 -0.010 0.000 1.176 630 I CA -0.647 60.627 61.300 -0.043 0.000 1.025 630 I CB 2.687 40.551 38.000 -0.227 0.000 1.243 630 I HN 0.862 nan 8.210 nan 0.000 0.424 631 E N 4.201 124.402 120.200 0.001 0.000 2.433 631 E HA 0.563 4.913 4.350 0.000 0.000 0.278 631 E C -2.980 173.616 176.600 -0.006 0.000 0.976 631 E CA -2.367 54.051 56.400 0.031 0.000 0.793 631 E CB 2.132 31.898 29.700 0.110 0.000 1.311 631 E HN 0.094 nan 8.360 nan 0.000 0.460 632 P HA 0.069 nan 4.420 nan 0.000 0.267 632 P C -0.488 176.809 177.300 -0.005 0.000 1.209 632 P CA -0.339 62.742 63.100 -0.031 0.000 0.763 632 P CB 0.307 32.003 31.700 -0.007 0.000 0.816 633 c N 3.614 122.136 118.600 -0.130 0.000 2.633 633 c HA 0.276 4.846 4.570 0.000 0.000 0.415 633 c C 1.437 175.554 174.090 0.045 0.000 1.393 633 c CA 0.234 56.464 56.329 -0.166 0.000 1.700 633 c CB -1.237 40.937 42.510 -0.559 0.000 2.541 633 c HN 0.633 nan 8.230 nan 0.000 0.603 634 T N 0.911 115.594 114.554 0.215 0.000 2.919 634 T HA 0.728 5.078 4.350 0.000 0.000 0.282 634 T C -0.286 174.529 174.700 0.191 0.000 1.020 634 T CA -0.707 61.497 62.100 0.175 0.000 0.994 634 T CB 0.820 69.798 68.868 0.183 0.000 1.180 634 T HN 0.364 nan 8.240 nan 0.000 0.566 635 V N 0.339 120.334 119.914 0.136 0.000 2.837 635 V HA 0.615 4.735 4.120 0.000 0.000 0.310 635 V C 1.682 177.849 176.094 0.122 0.000 1.059 635 V CA 0.178 62.550 62.300 0.120 0.000 1.004 635 V CB 0.562 32.431 31.823 0.076 0.000 1.045 635 V HN 1.496 nan 8.190 nan 0.000 0.465 636 G N 0.853 109.715 108.800 0.104 0.000 2.203 636 G HA2 -0.287 3.673 3.960 0.000 0.000 0.263 636 G HA3 -0.287 3.673 3.960 0.000 0.000 0.263 636 G C 0.410 175.354 174.900 0.074 0.000 1.012 636 G CA 0.611 45.758 45.100 0.078 0.000 0.749 636 G HN 1.090 nan 8.290 nan 0.000 0.512 637 H N 0.813 119.887 119.070 0.008 0.000 3.253 637 H HA 0.334 4.890 4.556 0.000 0.000 0.250 637 H C 0.313 175.560 175.328 -0.135 0.000 1.051 637 H CA 0.375 56.385 56.048 -0.063 0.000 1.458 637 H CB 0.113 29.830 29.762 -0.075 0.000 1.549 637 H HN 0.420 nan 8.280 nan 0.000 0.506 638 R N 4.868 125.116 120.500 -0.419 0.000 2.483 638 R HA 0.416 4.756 4.340 0.000 0.000 0.303 638 R C -0.552 175.460 176.300 -0.480 0.000 0.987 638 R CA -0.904 54.959 56.100 -0.395 0.000 0.881 638 R CB 1.593 31.862 30.300 -0.052 0.000 1.177 638 R HN 0.517 nan 8.270 nan 0.000 0.451 639 R N 2.657 122.760 120.500 -0.662 0.000 2.686 639 R HA 0.366 4.706 4.340 0.000 0.000 0.283 639 R C -1.242 174.722 176.300 -0.560 0.000 0.978 639 R CA -0.891 54.867 56.100 -0.570 0.000 0.897 639 R CB 1.660 31.587 30.300 -0.623 0.000 1.192 639 R HN 0.535 nan 8.270 nan 0.000 0.457 640 Y N 1.609 121.682 120.300 -0.378 0.000 2.352 640 Y HA 0.528 5.078 4.550 0.000 0.000 0.339 640 Y C -0.159 175.526 175.900 -0.357 0.000 0.992 640 Y CA -0.701 57.286 58.100 -0.188 0.000 1.100 640 Y CB 1.604 39.928 38.460 -0.226 0.000 1.192 640 Y HN 0.363 nan 8.280 nan 0.000 0.458 641 F N 0.418 120.566 119.950 0.329 0.000 2.520 641 F HA 0.328 4.855 4.527 0.000 0.000 0.322 641 F C 0.263 176.322 175.800 0.432 0.000 1.103 641 F CA -1.175 57.000 58.000 0.291 0.000 0.926 641 F CB 1.963 41.038 39.000 0.125 0.000 1.154 641 F HN 0.324 nan 8.300 nan 0.000 0.453 642 T N 4.277 119.158 114.554 0.545 0.000 2.759 642 T HA 0.019 4.369 4.350 0.000 0.000 0.273 642 T C -0.915 174.010 174.700 0.374 0.000 0.938 642 T CA 0.666 62.969 62.100 0.338 0.000 1.197 642 T CB -0.893 68.100 68.868 0.208 0.000 0.887 642 T HN 0.329 nan 8.240 nan 0.000 0.540 643 F N 3.645 123.688 119.950 0.156 0.000 2.577 643 F HA 0.555 5.082 4.527 0.000 0.000 0.344 643 F C 0.735 176.614 175.800 0.133 0.000 1.145 643 F CA -0.215 57.912 58.000 0.212 0.000 0.996 643 F CB 0.307 39.474 39.000 0.279 0.000 1.248 643 F HN 0.796 nan 8.300 nan 0.000 0.447 644 G N 3.962 112.529 108.800 -0.387 0.000 2.564 644 G HA2 -0.266 3.694 3.960 0.000 0.000 0.273 644 G HA3 -0.266 3.694 3.960 0.000 0.000 0.273 644 G C 1.056 175.763 174.900 -0.322 0.000 1.242 644 G CA 0.126 44.929 45.100 -0.495 0.000 0.951 644 G HN 1.467 nan 8.290 nan 0.000 0.564 645 G N -0.029 108.630 108.800 -0.236 0.000 2.440 645 G HA2 0.343 4.303 3.960 0.000 0.000 0.218 645 G HA3 0.343 4.303 3.960 0.000 0.000 0.218 645 G C 1.281 176.066 174.900 -0.192 0.000 1.154 645 G CA 2.196 47.192 45.100 -0.174 0.000 0.767 645 G HN 1.781 nan 8.290 nan 0.000 0.552 646 G N -1.518 107.192 108.800 -0.149 0.000 3.019 646 G HA2 0.559 4.519 3.960 0.000 0.000 0.152 646 G HA3 0.559 4.519 3.960 0.000 0.000 0.152 646 G C -0.602 174.150 174.900 -0.247 0.000 1.320 646 G CA -0.770 44.219 45.100 -0.186 0.000 1.013 646 G HN 0.167 nan 8.290 nan 0.000 0.593 647 Y N -2.348 118.075 120.300 0.206 0.000 2.914 647 Y HA 0.702 5.252 4.550 0.000 0.000 0.324 647 Y C -0.102 176.030 175.900 0.387 0.000 1.280 647 Y CA -0.810 57.468 58.100 0.297 0.000 1.133 647 Y CB 1.596 40.219 38.460 0.273 0.000 1.395 647 Y HN 0.393 nan 8.280 nan 0.000 0.645 648 V N 0.098 120.375 119.914 0.606 0.000 2.752 648 V HA 0.352 4.472 4.120 0.000 0.000 0.302 648 V C -2.291 174.048 176.094 0.408 0.000 1.133 648 V CA -0.718 61.871 62.300 0.483 0.000 0.919 648 V CB 1.535 33.660 31.823 0.503 0.000 1.026 648 V HN 0.577 nan 8.190 nan 0.000 0.429 649 Y N 7.139 127.426 120.300 -0.022 0.000 2.404 649 Y HA 0.660 5.210 4.550 0.000 0.000 0.344 649 Y C -1.017 174.814 175.900 -0.114 0.000 0.970 649 Y CA -1.147 56.808 58.100 -0.242 0.000 1.180 649 Y CB 1.177 39.333 38.460 -0.506 0.000 1.138 649 Y HN 0.604 nan 8.280 nan 0.000 0.510 650 F N 5.014 124.630 119.950 -0.556 0.000 2.293 650 F HA 0.266 4.793 4.527 0.000 0.000 0.370 650 F C 0.183 175.579 175.800 -0.673 0.000 1.090 650 F CA -0.742 57.017 58.000 -0.401 0.000 1.133 650 F CB 0.783 39.763 39.000 -0.034 0.000 1.360 650 F HN 0.477 nan 8.300 nan 0.000 0.489 651 E N 4.194 124.002 120.200 -0.653 0.000 2.044 651 E HA 0.136 4.486 4.350 0.000 0.000 0.282 651 E C -0.298 176.265 176.600 -0.061 0.000 1.031 651 E CA -0.007 56.119 56.400 -0.457 0.000 0.824 651 E CB 0.309 29.806 29.700 -0.337 0.000 1.076 651 E HN 0.446 nan 8.360 nan 0.000 0.395 652 E N 3.556 123.856 120.200 0.166 0.000 2.358 652 E HA -0.263 4.087 4.350 0.000 0.000 0.246 652 E C -1.018 175.750 176.600 0.280 0.000 1.127 652 E CA 0.809 57.360 56.400 0.252 0.000 0.726 652 E CB -2.015 27.783 29.700 0.164 0.000 1.272 652 E HN 0.832 nan 8.360 nan 0.000 0.390 653 Y N -3.203 117.220 120.300 0.206 0.000 3.057 653 Y HA -0.173 4.377 4.550 0.000 0.000 0.192 653 Y C 0.490 176.521 175.900 0.217 0.000 1.448 653 Y CA 0.893 59.127 58.100 0.223 0.000 1.065 653 Y CB -1.562 36.896 38.460 -0.004 0.000 1.369 653 Y HN 0.603 nan 8.280 nan 0.000 0.460 654 A N 0.222 123.152 122.820 0.183 0.000 2.530 654 A HA 0.502 4.822 4.320 0.000 0.000 0.297 654 A C -1.200 175.999 177.584 -0.642 0.000 1.059 654 A CA -0.931 51.027 52.037 -0.132 0.000 0.782 654 A CB 0.379 19.363 19.000 -0.026 0.000 1.301 654 A HN 0.454 nan 8.150 nan 0.000 0.394 655 Y N 2.849 122.549 120.300 -1.001 0.000 2.650 655 Y HA 0.284 4.834 4.550 0.000 0.000 0.331 655 Y C 1.051 176.727 175.900 -0.372 0.000 1.165 655 Y CA 1.496 59.018 58.100 -0.963 0.000 1.473 655 Y CB 0.810 38.905 38.460 -0.608 0.000 1.224 655 Y HN 0.603 nan 8.280 nan 0.000 0.533 656 S N 4.511 119.737 115.700 -0.789 0.000 2.444 656 S HA 0.079 4.549 4.470 0.000 0.000 0.223 656 S C -0.456 173.832 174.600 -0.521 0.000 1.054 656 S CA 0.763 58.728 58.200 -0.392 0.000 0.947 656 S CB -0.029 63.206 63.200 0.058 0.000 0.850 656 S HN 0.914 nan 8.310 nan 0.000 0.527 657 H N -0.321 118.193 119.070 -0.927 0.000 2.868 657 H HA 0.446 5.002 4.556 0.000 0.000 0.278 657 H C -1.938 173.296 175.328 -0.156 0.000 1.454 657 H CA -0.918 54.793 56.048 -0.561 0.000 1.145 657 H CB 0.128 29.793 29.762 -0.162 0.000 1.808 657 H HN 0.106 nan 8.280 nan 0.000 0.500 658 Q N 0.361 120.191 119.800 0.050 0.000 2.351 658 Q HA 0.775 5.116 4.340 0.000 0.000 0.273 658 Q C -0.593 175.486 176.000 0.132 0.000 1.077 658 Q CA -1.010 54.875 55.803 0.137 0.000 0.843 658 Q CB 3.225 32.181 28.738 0.363 0.000 1.367 658 Q HN 0.432 nan 8.270 nan 0.000 0.449 659 L N -0.389 120.937 121.223 0.172 0.000 2.397 659 L HA 0.569 4.909 4.340 0.000 0.000 0.251 659 L C -0.678 176.318 176.870 0.210 0.000 1.064 659 L CA -0.845 54.111 54.840 0.194 0.000 0.859 659 L CB 2.370 44.538 42.059 0.181 0.000 1.468 659 L HN 0.540 nan 8.230 nan 0.000 0.411 660 S N -0.818 114.984 115.700 0.170 0.000 2.651 660 S HA 0.392 4.862 4.470 0.000 0.000 0.291 660 S C 0.877 175.583 174.600 0.176 0.000 1.141 660 S CA -0.527 57.752 58.200 0.132 0.000 1.027 660 S CB 1.496 64.746 63.200 0.084 0.000 1.043 660 S HN 0.603 nan 8.310 nan 0.000 0.530 661 R N 1.815 122.399 120.500 0.141 0.000 2.159 661 R HA -0.113 4.227 4.340 0.000 0.000 0.237 661 R C 2.314 178.688 176.300 0.122 0.000 1.131 661 R CA 1.354 57.579 56.100 0.209 0.000 0.982 661 R CB -0.724 29.637 30.300 0.102 0.000 0.868 661 R HN 0.719 nan 8.270 nan 0.000 0.453 662 A N 1.887 124.754 122.820 0.078 0.000 1.917 662 A HA -0.225 4.095 4.320 0.000 0.000 0.219 662 A C 1.538 179.147 177.584 0.043 0.000 1.182 662 A CA 1.901 53.968 52.037 0.050 0.000 0.633 662 A CB -0.379 18.646 19.000 0.042 0.000 0.819 662 A HN 0.209 nan 8.150 nan 0.000 0.448 663 D N -0.204 120.231 120.400 0.058 0.000 2.182 663 D HA -0.071 4.569 4.640 0.000 0.000 0.201 663 D C 0.533 176.832 176.300 -0.002 0.000 0.986 663 D CA 0.694 54.716 54.000 0.037 0.000 0.847 663 D CB -0.223 40.615 40.800 0.063 0.000 0.942 663 D HN 0.266 nan 8.370 nan 0.000 0.467 664 I N 2.702 123.271 120.570 -0.002 0.000 2.312 664 I HA 0.020 4.190 4.170 0.000 0.000 0.291 664 I C 0.959 177.046 176.117 -0.051 0.000 1.031 664 I CA -0.342 60.912 61.300 -0.077 0.000 1.293 664 I CB 0.438 38.349 38.000 -0.149 0.000 1.403 664 I HN -0.122 nan 8.210 nan 0.000 0.484 665 T N 3.241 117.753 114.554 -0.070 0.000 2.908 665 T HA 0.145 4.495 4.350 0.000 0.000 0.325 665 T C 0.368 175.035 174.700 -0.056 0.000 1.092 665 T CA -0.324 61.743 62.100 -0.054 0.000 1.125 665 T CB 0.168 69.000 68.868 -0.061 0.000 1.016 665 T HN 0.621 nan 8.240 nan 0.000 0.550 666 T N 1.993 116.522 114.554 -0.041 0.000 2.841 666 T HA 0.630 4.980 4.350 0.000 0.000 0.283 666 T C -0.144 174.521 174.700 -0.059 0.000 1.000 666 T CA -0.790 61.284 62.100 -0.044 0.000 0.977 666 T CB 1.461 70.316 68.868 -0.022 0.000 0.979 666 T HN 1.033 nan 8.240 nan 0.000 0.446 667 V N -0.244 119.620 119.914 -0.083 0.000 2.789 667 V HA 0.931 5.051 4.120 0.000 0.000 0.311 667 V C -0.278 175.718 176.094 -0.162 0.000 1.073 667 V CA -0.816 61.424 62.300 -0.100 0.000 0.921 667 V CB 1.895 33.664 31.823 -0.091 0.000 1.009 667 V HN 0.819 nan 8.190 nan 0.000 0.426 668 S N 1.469 117.052 115.700 -0.195 0.000 2.578 668 S HA 0.640 5.110 4.470 0.000 0.000 0.301 668 S C 0.933 175.323 174.600 -0.349 0.000 1.091 668 S CA 0.212 58.184 58.200 -0.381 0.000 1.032 668 S CB 1.928 64.911 63.200 -0.362 0.000 1.064 668 S HN 1.478 nan 8.310 nan 0.000 0.508 669 T N 0.946 115.177 114.554 -0.537 0.000 3.069 669 T HA 0.364 4.714 4.350 0.000 0.000 0.252 669 T C -0.047 174.625 174.700 -0.046 0.000 1.053 669 T CA -0.170 61.782 62.100 -0.246 0.000 0.964 669 T CB -0.460 68.304 68.868 -0.173 0.000 1.005 669 T HN 0.338 nan 8.240 nan 0.000 0.532 670 F N 1.477 121.435 119.950 0.013 0.000 2.389 670 F HA 0.610 5.137 4.527 0.000 0.000 0.337 670 F C 0.308 176.119 175.800 0.019 0.000 1.112 670 F CA -2.900 55.113 58.000 0.022 0.000 1.192 670 F CB 0.134 39.148 39.000 0.025 0.000 1.185 670 F HN -0.062 nan 8.300 nan 0.000 0.552 671 I N 3.086 123.789 120.570 0.223 0.000 2.339 671 I HA 0.211 4.381 4.170 0.000 0.000 0.290 671 I C -0.066 176.119 176.117 0.113 0.000 0.994 671 I CA -0.685 60.692 61.300 0.129 0.000 1.191 671 I CB 0.486 38.542 38.000 0.094 0.000 1.343 671 I HN 0.397 nan 8.210 nan 0.000 0.458 672 D N 5.810 126.264 120.400 0.090 0.000 2.368 672 D HA 0.294 4.934 4.640 0.000 0.000 0.240 672 D C -0.390 175.940 176.300 0.049 0.000 1.169 672 D CA 0.025 54.067 54.000 0.070 0.000 0.906 672 D CB 1.180 42.015 40.800 0.057 0.000 1.187 672 D HN 0.189 nan 8.370 nan 0.000 0.435 673 L N 2.155 123.400 121.223 0.036 0.000 2.564 673 L HA 0.138 4.478 4.340 0.000 0.000 0.259 673 L C -0.793 176.085 176.870 0.013 0.000 1.101 673 L CA -0.531 54.323 54.840 0.023 0.000 0.900 673 L CB 0.673 42.745 42.059 0.021 0.000 1.110 673 L HN 0.140 nan 8.230 nan 0.000 0.468 674 N N 4.320 123.028 118.700 0.013 0.000 2.892 674 N HA 0.145 4.885 4.740 0.000 0.000 0.300 674 N C -0.487 175.024 175.510 0.002 0.000 1.211 674 N CA 0.289 53.344 53.050 0.008 0.000 1.158 674 N CB -0.246 38.246 38.487 0.009 0.000 1.455 674 N HN 0.586 nan 8.380 nan 0.000 0.524 675 I N 1.329 121.897 120.570 -0.003 0.000 2.428 675 I HA 0.147 4.317 4.170 0.000 0.000 0.289 675 I C 0.782 176.894 176.117 -0.008 0.000 1.019 675 I CA -0.311 60.984 61.300 -0.008 0.000 1.351 675 I CB 1.123 39.113 38.000 -0.016 0.000 1.412 675 I HN 0.367 nan 8.210 nan 0.000 0.513 676 T N 3.982 118.532 114.554 -0.007 0.000 2.930 676 T HA 0.638 4.988 4.350 0.000 0.000 0.290 676 T C -0.375 174.321 174.700 -0.007 0.000 1.052 676 T CA -1.002 61.094 62.100 -0.006 0.000 1.017 676 T CB 1.733 70.599 68.868 -0.003 0.000 1.137 676 T HN 0.391 nan 8.240 nan 0.000 0.511 677 M N 1.600 121.197 119.600 -0.005 0.000 2.359 677 M HA 0.452 4.932 4.480 0.000 0.000 0.322 677 M C -0.501 175.800 176.300 0.002 0.000 1.166 677 M CA -1.090 54.209 55.300 -0.003 0.000 1.067 677 M CB 1.275 33.874 32.600 -0.001 0.000 1.523 677 M HN 0.568 nan 8.290 nan 0.000 0.467 678 L N 3.073 124.299 121.223 0.005 0.000 2.369 678 L HA 0.164 4.504 4.340 0.000 0.000 0.279 678 L C 0.228 177.108 176.870 0.018 0.000 1.108 678 L CA 0.063 54.908 54.840 0.009 0.000 0.852 678 L CB -0.022 42.044 42.059 0.012 0.000 1.169 678 L HN 0.675 nan 8.230 nan 0.000 0.452 679 E N 2.976 123.186 120.200 0.018 0.000 2.485 679 E HA -0.048 4.302 4.350 0.000 0.000 0.266 679 E C -0.837 175.790 176.600 0.045 0.000 1.090 679 E CA -0.289 56.126 56.400 0.026 0.000 0.987 679 E CB 0.299 30.015 29.700 0.028 0.000 0.974 679 E HN 0.513 nan 8.360 nan 0.000 0.455 680 D N 1.079 121.504 120.400 0.040 0.000 2.382 680 D HA 0.098 4.738 4.640 0.000 0.000 0.245 680 D C -0.432 175.911 176.300 0.072 0.000 1.120 680 D CA 0.497 54.527 54.000 0.051 0.000 0.890 680 D CB 0.563 41.377 40.800 0.023 0.000 1.201 680 D HN 0.414 nan 8.370 nan 0.000 0.433 681 H N 0.953 119.997 119.070 -0.043 0.000 2.954 681 H HA 0.200 4.756 4.556 0.000 0.000 0.361 681 H C -1.067 174.172 175.328 -0.148 0.000 1.122 681 H CA -0.636 55.335 56.048 -0.129 0.000 1.217 681 H CB 1.715 31.355 29.762 -0.204 0.000 1.776 681 H HN 0.515 nan 8.280 nan 0.000 0.533 682 E N 4.415 124.274 120.200 -0.569 0.000 2.183 682 E HA 0.336 4.686 4.350 0.000 0.000 0.271 682 E C -1.406 174.981 176.600 -0.353 0.000 0.919 682 E CA -0.846 55.397 56.400 -0.261 0.000 0.781 682 E CB 1.437 31.041 29.700 -0.161 0.000 1.140 682 E HN 0.166 nan 8.360 nan 0.000 0.402 683 F N 2.846 122.811 119.950 0.024 0.000 2.371 683 F HA 0.176 4.703 4.527 0.000 0.000 0.363 683 F C 0.325 176.134 175.800 0.016 0.000 1.122 683 F CA -0.990 57.048 58.000 0.063 0.000 1.129 683 F CB 1.319 40.371 39.000 0.087 0.000 1.173 683 F HN 0.375 nan 8.300 nan 0.000 0.489 684 V N 2.473 122.457 119.914 0.117 0.000 2.715 684 V HA 0.391 4.511 4.120 0.000 0.000 0.299 684 V C -2.136 174.017 176.094 0.099 0.000 1.054 684 V CA -1.939 60.405 62.300 0.073 0.000 1.077 684 V CB -0.105 31.732 31.823 0.024 0.000 0.972 684 V HN 0.489 nan 8.190 nan 0.000 0.484 685 P HA 0.452 nan 4.420 nan 0.000 0.266 685 P C -0.878 176.453 177.300 0.051 0.000 1.195 685 P CA -0.008 63.128 63.100 0.060 0.000 0.768 685 P CB 0.504 32.230 31.700 0.042 0.000 0.838 686 L N 2.083 123.335 121.223 0.049 0.000 2.526 686 L HA 0.412 4.752 4.340 0.000 0.000 0.263 686 L C -1.145 175.740 176.870 0.025 0.000 0.943 686 L CA -0.181 54.679 54.840 0.034 0.000 0.859 686 L CB 2.103 44.187 42.059 0.042 0.000 1.313 686 L HN 0.336 nan 8.230 nan 0.000 0.406 687 E N 3.213 123.418 120.200 0.008 0.000 2.246 687 E HA 0.338 4.688 4.350 0.000 0.000 0.266 687 E C 0.203 176.768 176.600 -0.058 0.000 0.880 687 E CA -0.641 55.761 56.400 0.003 0.000 0.762 687 E CB 2.393 32.113 29.700 0.033 0.000 1.180 687 E HN 0.478 nan 8.360 nan 0.000 0.416 688 V N 2.584 122.437 119.914 -0.103 0.000 2.407 688 V HA -0.171 3.949 4.120 0.000 0.000 0.248 688 V C 0.053 175.790 176.094 -0.596 0.000 1.055 688 V CA 1.488 63.590 62.300 -0.330 0.000 1.049 688 V CB -0.446 31.198 31.823 -0.298 0.000 0.662 688 V HN 0.560 nan 8.190 nan 0.000 0.455 689 Y N -0.720 119.597 120.300 0.029 0.000 2.396 689 Y HA 0.446 4.996 4.550 0.000 0.000 0.332 689 Y C 0.464 176.384 175.900 0.034 0.000 1.034 689 Y CA -1.021 57.096 58.100 0.028 0.000 1.057 689 Y CB 1.449 39.921 38.460 0.020 0.000 1.220 689 Y HN -0.010 nan 8.280 nan 0.000 0.440 690 T N -1.049 113.615 114.554 0.182 0.000 2.868 690 T HA 0.272 4.622 4.350 0.000 0.000 0.292 690 T C 1.214 175.996 174.700 0.137 0.000 1.028 690 T CA -0.627 61.554 62.100 0.135 0.000 1.059 690 T CB 1.162 70.103 68.868 0.121 0.000 0.991 690 T HN 0.772 nan 8.240 nan 0.000 0.531 691 R N 0.062 120.629 120.500 0.112 0.000 2.133 691 R HA -0.254 4.086 4.340 0.000 0.000 0.245 691 R C 2.313 178.678 176.300 0.107 0.000 1.137 691 R CA 2.367 58.525 56.100 0.096 0.000 0.947 691 R CB -1.002 29.350 30.300 0.086 0.000 0.865 691 R HN 0.878 nan 8.270 nan 0.000 0.437 692 H N 0.858 119.953 119.070 0.041 0.000 2.290 692 H HA -0.108 4.448 4.556 0.000 0.000 0.298 692 H C 1.747 177.097 175.328 0.035 0.000 1.087 692 H CA 2.078 58.146 56.048 0.034 0.000 1.291 692 H CB -0.070 29.711 29.762 0.032 0.000 1.369 692 H HN 0.280 nan 8.280 nan 0.000 0.492 693 E N -0.138 120.068 120.200 0.011 0.000 2.114 693 E HA -0.206 4.144 4.350 0.000 0.000 0.199 693 E C 2.408 178.943 176.600 -0.108 0.000 1.008 693 E CA 1.554 57.930 56.400 -0.039 0.000 0.810 693 E CB -0.137 29.641 29.700 0.129 0.000 0.739 693 E HN 0.571 nan 8.360 nan 0.000 0.456 694 I N 0.988 121.518 120.570 -0.066 0.000 2.202 694 I HA -0.261 3.909 4.170 0.000 0.000 0.242 694 I C 2.941 178.998 176.117 -0.101 0.000 1.091 694 I CA 1.579 62.824 61.300 -0.092 0.000 1.368 694 I CB -0.560 37.415 38.000 -0.042 0.000 1.058 694 I HN 0.090 nan 8.210 nan 0.000 0.410 695 K N 0.403 120.747 120.400 -0.093 0.000 2.063 695 K HA -0.304 4.016 4.320 0.000 0.000 0.208 695 K C 1.624 178.140 176.600 -0.141 0.000 1.048 695 K CA 2.430 58.663 56.287 -0.088 0.000 0.928 695 K CB -1.301 31.172 32.500 -0.045 0.000 0.713 695 K HN 0.510 nan 8.250 nan 0.000 0.442 696 D N -0.494 119.748 120.400 -0.263 0.000 2.347 696 D HA -0.082 4.558 4.640 0.000 0.000 0.213 696 D C 2.088 178.298 176.300 -0.149 0.000 0.985 696 D CA 1.259 55.108 54.000 -0.252 0.000 0.879 696 D CB 0.170 40.705 40.800 -0.442 0.000 0.919 696 D HN 0.504 nan 8.370 nan 0.000 0.526 697 S N -0.634 114.983 115.700 -0.139 0.000 2.383 697 S HA -0.045 4.425 4.470 0.000 0.000 0.229 697 S C 1.516 176.064 174.600 -0.086 0.000 1.030 697 S CA 0.612 58.743 58.200 -0.114 0.000 1.002 697 S CB -0.985 62.130 63.200 -0.141 0.000 0.829 697 S HN 0.208 nan 8.310 nan 0.000 0.467 698 G N 1.503 110.257 108.800 -0.076 0.000 2.432 698 G HA2 0.398 4.358 3.960 0.000 0.000 0.239 698 G HA3 0.398 4.358 3.960 0.000 0.000 0.239 698 G C 0.479 175.353 174.900 -0.043 0.000 1.291 698 G CA -0.179 44.889 45.100 -0.054 0.000 0.863 698 G HN 0.307 nan 8.290 nan 0.000 0.560 699 L N 2.642 123.844 121.223 -0.035 0.000 1.925 699 L HA 0.234 4.574 4.340 0.000 0.000 0.214 699 L C 1.424 178.285 176.870 -0.014 0.000 1.091 699 L CA 1.183 56.007 54.840 -0.026 0.000 0.768 699 L CB -0.851 41.193 42.059 -0.026 0.000 0.887 699 L HN 0.457 nan 8.230 nan 0.000 0.433 700 L N 0.618 121.837 121.223 -0.006 0.000 2.371 700 L HA 0.178 4.518 4.340 0.000 0.000 0.272 700 L C -0.687 176.201 176.870 0.030 0.000 1.124 700 L CA -0.085 54.763 54.840 0.013 0.000 0.816 700 L CB 0.837 42.907 42.059 0.018 0.000 1.129 700 L HN 0.307 nan 8.230 nan 0.000 0.448 701 D N 0.648 121.074 120.400 0.043 0.000 2.460 701 D HA 0.092 4.732 4.640 0.000 0.000 0.232 701 D C 0.610 176.973 176.300 0.104 0.000 1.079 701 D CA -0.440 53.597 54.000 0.063 0.000 0.864 701 D CB 0.719 41.541 40.800 0.036 0.000 1.048 701 D HN 0.363 nan 8.370 nan 0.000 0.523 702 Y N 2.761 123.057 120.300 -0.006 0.000 2.062 702 Y HA -0.322 4.228 4.550 0.000 0.000 0.276 702 Y C 1.954 177.856 175.900 0.004 0.000 1.189 702 Y CA 2.085 60.184 58.100 -0.002 0.000 1.130 702 Y CB -0.680 37.780 38.460 -0.000 0.000 0.959 702 Y HN 0.407 nan 8.280 nan 0.000 0.499 703 T N 0.256 114.794 114.554 -0.026 0.000 2.652 703 T HA -0.210 4.140 4.350 0.000 0.000 0.267 703 T C 1.650 176.290 174.700 -0.099 0.000 1.039 703 T CA 1.916 63.950 62.100 -0.111 0.000 1.153 703 T CB -0.285 68.573 68.868 -0.017 0.000 0.863 703 T HN 0.476 nan 8.240 nan 0.000 0.428 704 E N 0.324 120.502 120.200 -0.037 0.000 2.268 704 E HA -0.043 4.307 4.350 0.000 0.000 0.195 704 E C 2.142 178.724 176.600 -0.031 0.000 0.995 704 E CA 0.552 56.939 56.400 -0.021 0.000 0.836 704 E CB -0.026 29.678 29.700 0.007 0.000 0.763 704 E HN 0.292 nan 8.360 nan 0.000 0.491 705 V N 1.054 120.939 119.914 -0.048 0.000 2.725 705 V HA -0.132 3.988 4.120 0.000 0.000 0.247 705 V C 2.039 178.080 176.094 -0.087 0.000 1.058 705 V CA 0.950 63.225 62.300 -0.043 0.000 1.080 705 V CB -0.128 31.689 31.823 -0.009 0.000 0.713 705 V HN 0.165 nan 8.190 nan 0.000 0.465 706 Q N 0.025 119.711 119.800 -0.189 0.000 2.439 706 Q HA -0.139 4.201 4.340 0.000 0.000 0.211 706 Q C 2.195 178.126 176.000 -0.116 0.000 0.978 706 Q CA 1.140 56.810 55.803 -0.221 0.000 0.897 706 Q CB -0.167 28.315 28.738 -0.426 0.000 0.956 706 Q HN 0.603 nan 8.270 nan 0.000 0.483 707 R N 0.155 120.608 120.500 -0.078 0.000 2.087 707 R HA -0.000 4.340 4.340 0.000 0.000 0.216 707 R C 2.121 178.424 176.300 0.005 0.000 1.114 707 R CA 0.457 56.538 56.100 -0.032 0.000 1.002 707 R CB 0.114 30.399 30.300 -0.025 0.000 0.903 707 R HN -0.062 nan 8.270 nan 0.000 0.445 708 R N 0.987 121.493 120.500 0.010 0.000 2.117 708 R HA -0.107 4.233 4.340 0.000 0.000 0.243 708 R C 1.344 177.685 176.300 0.068 0.000 1.143 708 R CA 2.221 58.349 56.100 0.047 0.000 0.968 708 R CB -0.250 30.070 30.300 0.033 0.000 0.863 708 R HN 0.301 nan 8.270 nan 0.000 0.444 709 N N -0.177 118.536 118.700 0.021 0.000 2.305 709 N HA -0.049 4.691 4.740 0.000 0.000 0.179 709 N C 1.180 176.719 175.510 0.049 0.000 1.019 709 N CA 1.080 54.133 53.050 0.005 0.000 0.869 709 N CB -0.052 38.410 38.487 -0.042 0.000 1.000 709 N HN 0.360 nan 8.380 nan 0.000 0.431 710 Q N -0.000 119.820 119.800 0.033 0.000 2.482 710 Q HA 0.158 4.498 4.340 0.000 0.000 0.209 710 Q C 1.096 177.141 176.000 0.076 0.000 0.961 710 Q CA 0.300 56.130 55.803 0.043 0.000 0.945 710 Q CB 0.189 28.931 28.738 0.007 0.000 1.012 710 Q HN 0.350 nan 8.270 nan 0.000 0.515 711 L N -0.833 120.452 121.223 0.105 0.000 2.592 711 L HA -0.005 4.335 4.340 0.000 0.000 0.227 711 L C 1.801 178.788 176.870 0.196 0.000 1.127 711 L CA 0.031 54.938 54.840 0.111 0.000 0.884 711 L CB -0.086 42.026 42.059 0.088 0.000 1.065 711 L HN 0.234 nan 8.230 nan 0.000 0.457 712 H N 0.832 119.986 119.070 0.141 0.000 2.265 712 H HA -0.228 4.328 4.556 0.000 0.000 0.295 712 H C 1.736 177.216 175.328 0.252 0.000 1.084 712 H CA 2.278 58.467 56.048 0.234 0.000 1.261 712 H CB 0.182 29.997 29.762 0.090 0.000 1.360 712 H HN 0.197 nan 8.280 nan 0.000 0.487 713 D N -0.380 120.136 120.400 0.193 0.000 2.144 713 D HA -0.126 4.514 4.640 0.000 0.000 0.199 713 D C 2.459 178.786 176.300 0.045 0.000 0.984 713 D CA 0.913 54.971 54.000 0.098 0.000 0.834 713 D CB -0.269 40.581 40.800 0.084 0.000 0.955 713 D HN 0.347 nan 8.370 nan 0.000 0.465 714 L N 0.081 121.324 121.223 0.033 0.000 2.005 714 L HA -0.123 4.217 4.340 0.000 0.000 0.207 714 L C 2.542 179.356 176.870 -0.093 0.000 1.072 714 L CA 1.253 56.081 54.840 -0.021 0.000 0.744 714 L CB -0.232 41.816 42.059 -0.018 0.000 0.895 714 L HN -0.040 nan 8.230 nan 0.000 0.433 715 R N -0.824 119.580 120.500 -0.161 0.000 2.075 715 R HA -0.095 4.245 4.340 0.000 0.000 0.232 715 R C 1.784 177.713 176.300 -0.618 0.000 1.126 715 R CA 1.415 57.230 56.100 -0.474 0.000 0.963 715 R CB -0.144 29.694 30.300 -0.770 0.000 0.858 715 R HN 0.255 nan 8.270 nan 0.000 0.435 716 F N -1.050 118.804 119.950 -0.159 0.000 2.706 716 F HA 0.420 4.947 4.527 0.000 0.000 0.308 716 F C 0.823 176.544 175.800 -0.131 0.000 1.095 716 F CA -0.362 57.532 58.000 -0.178 0.000 1.244 716 F CB 0.586 39.393 39.000 -0.322 0.000 1.063 716 F HN -0.027 nan 8.300 nan 0.000 0.582 717 A N -0.880 121.960 122.820 0.033 0.000 2.686 717 A HA 0.634 4.954 4.320 0.000 0.000 0.263 717 A C -1.570 176.014 177.584 0.000 0.000 1.264 717 A CA -0.399 51.651 52.037 0.022 0.000 0.799 717 A CB 0.898 19.918 19.000 0.033 0.000 1.363 717 A HN -0.035 nan 8.150 nan 0.000 0.507 718 D N -0.174 120.229 120.400 0.006 0.000 2.788 718 D HA 0.426 5.066 4.640 0.000 0.000 0.247 718 D C -0.167 176.136 176.300 0.004 0.000 1.236 718 D CA -0.196 53.803 54.000 -0.001 0.000 0.898 718 D CB 1.399 42.197 40.800 -0.003 0.000 1.401 718 D HN 0.593 nan 8.370 nan 0.000 0.549 719 I N 0.093 120.664 120.570 0.002 0.000 4.082 719 I HA 0.333 4.503 4.170 0.000 0.000 0.337 719 I C -0.127 175.991 176.117 0.002 0.000 1.352 719 I CA -0.234 61.069 61.300 0.005 0.000 1.097 719 I CB 0.607 38.612 38.000 0.008 0.000 1.048 719 I HN -0.027 nan 8.210 nan 0.000 0.393 720 D N 1.383 121.782 120.400 -0.002 0.000 2.840 720 D HA 0.090 4.730 4.640 0.000 0.000 0.277 720 D C 0.637 176.935 176.300 -0.003 0.000 1.066 720 D CA 0.819 54.817 54.000 -0.003 0.000 0.979 720 D CB -0.214 40.582 40.800 -0.006 0.000 1.157 720 D HN 0.144 nan 8.370 nan 0.000 0.466 721 T N 1.821 116.372 114.554 -0.004 0.000 2.923 721 T HA 0.194 4.544 4.350 0.000 0.000 0.304 721 T C 0.269 174.968 174.700 -0.002 0.000 1.044 721 T CA 0.195 62.293 62.100 -0.004 0.000 1.141 721 T CB 0.957 69.822 68.868 -0.005 0.000 1.023 721 T HN -0.224 nan 8.240 nan 0.000 0.533 722 V N 5.113 125.025 119.914 -0.003 0.000 2.540 722 V HA 0.461 4.581 4.120 0.000 0.000 0.302 722 V C 0.012 176.104 176.094 -0.003 0.000 1.035 722 V CA -0.943 61.356 62.300 -0.002 0.000 0.873 722 V CB 1.658 33.480 31.823 -0.002 0.000 0.992 722 V HN 0.688 nan 8.190 nan 0.000 0.428 723 I N 0.000 120.568 120.570 -0.003 0.000 2.984 723 I HA 0.000 4.170 4.170 0.000 0.000 0.288 723 I CA 0.000 61.298 61.300 -0.004 0.000 1.566 723 I CB 0.000 37.997 38.000 -0.005 0.000 1.214 723 I HN 0.000 nan 8.210 nan 0.000 0.494